#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dfs h ILE 9 N 0.00 0.86 -0.13 -0.39 3.07 -2.04 -2.21 117.51 116.66 2dfs h ILE 9 Ca 0.00 -0.06 -0.02 0.00 1.55 0.00 0.00 64.86 66.33 2dfs h ILE 9 Cb 0.00 0.66 -0.01 0.00 -0.27 0.00 0.00 36.82 37.20 2dfs h ILE 9 CO 0.00 0.03 0.02 0.00 -1.05 0.00 0.00 178.15 177.15 2dfs h ALA 10 N 1.77 0.18 -0.58 0.16 0.00 -2.05 0.26 119.26 118.99 2dfs h ALA 10 Ca 0.21 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2dfs h ALA 10 Cb 0.60 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 2dfs h ALA 10 CO -0.03 -0.15 0.14 1.49 0.00 0.00 0.00 179.25 180.69 2dfs h GLU 11 N -0.01 0.94 -0.73 0.00 4.81 -1.88 -2.14 114.58 115.57 2dfs h GLU 11 Ca 0.04 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.99 2dfs h GLU 11 Cb 0.31 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 29.54 2dfs h GLU 11 CO 0.00 0.87 0.24 0.35 -0.73 0.00 0.00 179.01 179.74 2dfs h PHE 12 N 0.84 1.15 -0.72 0.92 3.57 -1.42 0.18 116.94 121.47 2dfs h PHE 12 Ca 0.18 -0.11 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 2dfs h PHE 12 Cb 0.35 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 2dfs h PHE 12 CO 0.03 0.91 0.40 -0.22 -2.23 0.00 0.00 178.31 177.19 2dfs h LYS 13 N 1.08 1.00 -0.25 1.11 3.64 -0.31 0.13 116.57 122.97 2dfs h LYS 13 Ca 0.24 -0.11 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2dfs h LYS 13 Cb 0.29 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 31.90 2dfs h LYS 13 CO -0.01 0.74 -0.09 0.93 -2.27 0.00 0.00 179.45 178.75 2dfs h GLU 14 N 0.99 0.40 -0.38 1.90 4.39 -1.08 0.14 114.58 120.93 2dfs h GLU 14 Ca 0.25 -0.09 -0.03 0.00 0.34 0.00 0.00 59.36 59.83 2dfs h GLU 14 Cb 0.03 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.61 2dfs h GLU 14 CO -0.04 0.50 0.12 0.00 -1.16 0.00 0.00 179.01 178.42 2dfs h ALA 15 N 1.54 0.50 -0.60 3.43 0.00 -0.56 -2.73 119.26 120.83 2dfs h ALA 15 Ca 0.08 -0.16 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2dfs h ALA 15 Cb 0.39 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 2dfs h ALA 15 CO 0.02 0.14 0.37 0.35 0.00 0.00 0.00 179.25 180.13 2dfs h PHE 16 N 0.47 0.79 0.00 0.00 3.57 -0.32 -1.98 116.94 119.47 2dfs h PHE 16 Ca 0.12 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.62 2dfs h PHE 16 Cb 0.26 -0.26 0.00 0.00 2.79 0.00 0.00 35.95 38.74 2dfs h PHE 16 CO 0.01 0.54 0.00 0.45 -2.23 0.00 0.00 178.31 177.08 2dfs n SER 17 N -4.62 0.50 -0.03 0.41 2.88 0.44 -0.74 113.62 112.46 2dfs n SER 17 Ca 0.04 0.65 -0.07 0.00 -1.33 0.00 0.00 58.87 58.16 2dfs n SER 17 Cb 0.05 -0.75 -0.14 0.00 -0.75 0.00 0.00 64.21 62.63 2dfs n SER 17 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2dfs n LEU 18 N -2.08 0.68 0.04 2.46 0.00 -0.80 -4.34 117.00 112.96 2dfs n LEU 18 Ca 0.01 0.32 -0.20 0.00 0.00 0.00 0.00 56.01 56.15 2dfs n LEU 18 Cb 0.17 0.22 -0.11 0.00 0.00 0.00 0.00 43.42 43.70 2dfs n LEU 18 CO 0.15 0.37 0.09 -0.26 0.00 0.00 0.00 177.39 177.75 2dfs h PHE 19 N 0.00 0.97 -2.38 1.96 -1.00 -0.69 -3.42 116.94 112.39 2dfs h PHE 19 Ca -0.32 -0.54 -0.53 0.00 2.81 0.00 0.00 57.97 59.39 2dfs h PHE 19 Cb 1.99 -0.11 0.02 0.00 3.61 0.00 0.00 35.95 41.47 2dfs h PHE 19 CO 0.00 1.37 1.23 0.34 -1.61 0.00 0.00 178.31 179.64 2dfs s ASP 20 N -7.22 6.44 -0.05 2.17 2.15 0.09 -4.84 116.67 115.42 2dfs s ASP 20 Ca -0.10 2.69 0.00 0.00 0.43 0.00 0.00 52.55 55.57 2dfs s ASP 20 Cb 0.06 -2.53 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 2dfs s ASP 20 CO 0.91 -1.05 -0.05 0.29 -0.17 0.00 0.00 175.17 175.10 2dfs n LYS 21 N 7.36 0.12 -0.23 4.34 4.76 -1.26 -4.57 118.16 128.68 2dfs n LYS 21 Ca 0.20 0.03 -0.07 0.00 -2.87 0.00 0.00 58.31 55.60 2dfs n LYS 21 Cb 0.41 -1.05 0.07 0.00 -1.84 0.00 0.00 35.03 32.61 2dfs n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dfs h ASP 22 N -0.02 1.04 -0.05 4.39 3.32 -1.93 -3.48 116.42 119.69 2dfs h ASP 22 Ca -0.11 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2dfs h ASP 22 Cb 1.16 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 40.44 2dfs h ASP 22 CO -0.02 1.01 0.00 0.61 -1.72 0.00 0.00 179.24 179.12 2dfs n GLY 23 N -0.66 1.19 0.15 2.75 0.00 -1.26 -4.99 105.19 102.37 2dfs n GLY 23 Ca 0.05 -0.42 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2dfs n GLY 23 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dfs n ASP 24 N 0.95 0.96 0.00 1.61 2.03 -1.26 -4.92 116.55 115.92 2dfs n ASP 24 Ca 0.00 -0.76 0.00 0.00 0.52 0.00 0.00 54.79 54.55 2dfs n ASP 24 Cb 0.24 0.36 0.00 0.00 -0.72 0.00 0.00 41.12 41.00 2dfs n ASP 24 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2dfs n GLY 25 N 1.43 0.88 2.91 0.27 0.00 -1.26 -5.04 105.19 104.38 2dfs n GLY 25 Ca 0.08 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.39 0.38 0.16 2.61 -4.23 -1.26 -4.09 115.64 106.83 2dfs s THR 26 Ca 0.00 -0.12 0.03 0.00 -1.18 0.00 0.00 61.69 60.42 2dfs s THR 26 Cb 0.00 -0.38 -0.04 0.00 1.34 0.00 0.00 72.50 73.42 2dfs s THR 26 CO 0.00 0.15 0.25 0.27 -0.54 0.00 0.00 174.62 174.75 2dfs s ILE 27 N 0.41 5.09 0.37 2.99 -4.36 -0.31 -4.76 121.20 120.63 2dfs s ILE 27 Ca -0.04 -0.81 -0.28 0.00 -0.26 0.00 0.00 60.65 59.25 2dfs s ILE 27 Cb -0.08 -3.63 -0.11 0.00 1.25 0.00 0.00 42.46 39.89 2dfs s ILE 27 CO -0.00 -0.11 1.46 0.35 0.24 0.00 0.00 174.94 176.88 2dfs n THR 28 N -0.54 1.93 0.28 8.37 -2.24 -1.26 -0.53 114.28 120.28 2dfs n THR 28 Ca -0.07 -0.48 0.12 0.00 -2.27 0.00 0.00 64.05 61.34 2dfs n THR 28 Cb 0.54 -1.90 0.79 0.00 -2.10 0.00 0.00 70.33 67.66 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 2.90 0.71 -0.19 4.28 1.35 -1.73 -0.59 112.91 119.64 2dfs h THR 29 Ca -0.50 -0.12 0.02 0.00 -0.55 0.00 0.00 66.41 65.26 2dfs h THR 29 Cb 1.25 1.07 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 2dfs h THR 29 CO 0.65 0.03 0.13 0.11 -0.25 0.00 0.00 175.52 176.19 2dfs h LYS 30 N 0.00 0.19 -0.68 4.72 1.57 -1.90 -2.74 116.57 117.73 2dfs h LYS 30 Ca -0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2dfs h LYS 30 Cb 0.07 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.34 2dfs h LYS 30 CO 0.00 0.13 0.00 0.39 -0.57 0.00 0.00 179.45 179.40 2dfs n GLU 31 N -4.51 2.90 -0.25 3.15 -0.58 -0.23 -4.17 120.64 116.96 2dfs n GLU 31 Ca 0.00 -1.71 -0.05 0.00 -0.42 0.00 0.00 57.16 54.98 2dfs n GLU 31 Cb 0.12 -1.78 0.06 0.00 -0.57 0.00 0.00 31.44 29.27 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 2.31 0.77 0.00 -4.62 5.85 -1.59 -2.25 115.31 115.79 2dfs h LEU 32 Ca 0.00 -0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2dfs h LEU 32 Cb 1.15 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.99 2dfs h LEU 32 CO 0.21 0.56 -0.04 0.61 -0.34 0.00 0.00 178.44 179.44 2dfs n GLY 33 N -1.29 -1.65 0.13 3.75 0.00 -1.26 -1.88 105.19 102.99 2dfs n GLY 33 Ca 0.06 -0.05 -0.20 0.00 0.00 0.00 0.00 46.02 45.83 2dfs n GLY 33 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2dfs h THR 34 N 0.00 0.81 -0.72 2.61 1.35 -1.84 -3.22 112.91 111.89 2dfs h THR 34 Ca 0.00 -2.49 -0.05 0.00 -0.55 0.00 0.00 66.41 63.31 2dfs h THR 34 Cb 0.69 2.60 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 2dfs h THR 34 CO 0.00 0.83 0.24 1.62 -0.25 0.00 0.00 175.52 177.97 2dfs h VAL 35 N 0.07 1.26 -0.34 6.82 3.04 -1.21 0.11 116.25 126.00 2dfs h VAL 35 Ca -0.36 -0.87 0.02 0.00 -1.01 0.00 0.00 66.70 64.48 2dfs h VAL 35 Cb 2.05 0.46 -0.02 0.00 -2.01 0.00 0.00 31.29 31.76 2dfs h VAL 35 CO 0.12 0.34 0.19 0.24 -1.01 0.00 0.00 177.57 177.45 2dfs h MET 36 N 1.06 0.38 -0.27 4.17 2.86 -1.55 -2.28 114.93 119.30 2dfs h MET 36 Ca 0.24 -0.02 -0.10 0.00 -2.06 0.00 0.00 59.70 57.75 2dfs h MET 36 Cb 0.28 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.84 2dfs h MET 36 CO -0.01 0.25 -0.25 0.00 1.06 0.00 0.00 176.91 177.95 2dfs h ARG 37 N 0.39 0.53 -0.72 1.72 3.08 -1.52 -2.58 114.38 115.28 2dfs h ARG 37 Ca 0.13 -0.20 -0.03 0.00 0.07 0.00 0.00 59.98 59.95 2dfs h ARG 37 Cb 0.01 -0.03 -0.03 0.00 0.08 0.00 0.00 29.97 30.00 2dfs h ARG 37 CO -0.07 0.74 0.33 1.03 -1.07 0.00 0.00 179.97 180.93 2dfs h SER 38 N 0.46 0.96 -0.44 7.04 0.87 -0.63 -3.10 113.55 118.72 2dfs h SER 38 Ca 0.07 -0.15 -0.02 0.00 -1.23 0.00 0.00 61.79 60.46 2dfs h SER 38 Cb 0.69 -0.25 -0.02 0.00 -0.44 0.00 0.00 62.40 62.38 2dfs h SER 38 CO 0.05 0.84 0.19 0.25 -0.53 0.00 0.00 176.83 177.63 2dfs h LEU 39 N 1.02 0.60 0.00 2.23 5.85 -1.28 -3.47 115.31 120.26 2dfs h LEU 39 Ca 0.25 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.81 2dfs h LEU 39 Cb 0.15 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.02 2dfs h LEU 39 CO -0.03 0.59 0.00 0.61 -0.34 0.00 0.00 178.44 179.27 2dfs n GLY 40 N -0.81 0.72 3.70 3.75 0.00 -1.00 -5.07 105.19 106.49 2dfs n GLY 40 Ca 0.01 -0.05 -0.31 0.00 0.00 0.00 0.00 46.02 45.66 2dfs n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2dfs s GLN 41 N 0.00 1.49 0.00 1.61 1.11 -1.06 -4.93 119.66 117.88 2dfs s GLN 41 Ca 0.00 1.48 0.23 0.00 0.01 0.00 0.00 55.36 57.09 2dfs s GLN 41 Cb 0.00 -1.79 0.24 0.00 -1.01 0.00 0.00 33.01 30.45 2dfs s GLN 41 CO 0.00 -2.27 1.28 0.09 0.01 0.00 0.00 175.29 174.40 2dfs n ASN 42 N -3.84 3.07 -4.30 5.90 3.02 -1.26 -3.89 115.26 113.96 2dfs n ASN 42 Ca 0.11 -1.98 -0.50 0.00 -0.03 0.00 0.00 54.58 52.18 2dfs n ASN 42 Cb 0.52 -0.06 -0.04 0.00 -0.61 0.00 0.00 39.78 39.59 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 1.36 0.00 -1.18 3.52 -0.04 -1.26 -4.97 135.00 132.43 2dfs n PRO 43 Ca 0.15 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.26 2dfs n PRO 43 Cb 0.59 -1.13 0.08 0.00 -0.04 0.00 0.00 33.50 33.01 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 0.47 1.59 1.16 0.52 -2.24 -1.26 -4.88 114.28 109.64 2dfs n THR 44 Ca 0.18 -0.34 0.13 0.00 -2.27 0.00 0.00 64.05 61.75 2dfs n THR 44 Cb 0.19 -0.79 0.45 0.00 -2.10 0.00 0.00 70.33 68.08 2dfs n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2dfs n GLU 45 N -1.20 0.35 -0.03 -0.78 1.02 -1.26 -2.25 120.64 116.50 2dfs n GLU 45 Ca 0.10 -0.16 -0.14 0.00 -0.02 0.00 0.00 57.16 56.94 2dfs n GLU 45 Cb 0.51 -1.50 -0.10 0.00 -0.02 0.00 0.00 31.44 30.33 2dfs n GLU 45 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2dfs h ALA 46 N 3.30 0.07 -0.77 0.62 0.00 -1.99 -3.00 119.26 117.49 2dfs h ALA 46 Ca 0.00 -0.38 0.04 0.00 0.00 0.00 0.00 54.91 54.57 2dfs h ALA 46 Cb 0.46 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 2dfs h ALA 46 CO 0.00 0.01 0.49 0.93 0.00 0.00 0.00 179.25 180.67 2dfs h GLU 47 N -0.38 0.91 -0.78 0.00 4.39 -1.84 0.30 114.58 117.18 2dfs h GLU 47 Ca -0.01 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.68 2dfs h GLU 47 Cb 0.80 -0.21 -0.05 0.00 -0.10 0.00 0.00 28.75 29.19 2dfs h GLU 47 CO 0.03 0.60 0.48 1.25 -1.16 0.00 0.00 179.01 180.21 2dfs h LEU 48 N 0.94 0.77 -0.81 1.33 6.46 -1.60 -1.89 115.31 120.51 2dfs h LEU 48 Ca 0.32 0.01 -0.10 0.00 -0.12 0.00 0.00 57.88 57.99 2dfs h LEU 48 Cb 0.05 -0.15 -0.02 0.00 -0.73 0.00 0.00 40.66 39.81 2dfs h LEU 48 CO -0.13 0.51 -0.14 1.56 -0.62 0.00 0.00 178.44 179.63 2dfs h GLN 49 N 0.91 0.75 0.00 1.25 1.08 -0.89 0.48 115.11 118.68 2dfs h GLN 49 Ca 0.32 -0.26 0.00 0.00 -1.45 0.00 0.00 58.65 57.27 2dfs h GLN 49 Cb 0.09 -0.06 0.00 0.00 -0.05 0.00 0.00 27.48 27.46 2dfs h GLN 49 CO -0.14 0.85 0.00 -0.44 -0.95 0.00 0.00 178.83 178.15 2dfs h ASP 50 N 0.67 0.00 0.00 1.46 3.32 -0.78 -2.95 116.42 118.14 2dfs h ASP 50 Ca 0.11 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.16 2dfs h ASP 50 Cb 0.62 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.17 2dfs h ASP 50 CO 0.04 0.00 0.00 1.15 -1.72 0.00 0.00 179.24 178.71 2dfs n MET 51 N -2.34 2.08 0.03 3.56 0.00 -0.73 -4.57 117.12 115.14 2dfs n MET 51 Ca 0.03 -0.30 -0.14 0.00 0.00 0.00 0.00 57.70 57.28 2dfs n MET 51 Cb 0.29 -0.80 -0.04 0.00 0.00 0.00 0.00 33.22 32.67 2dfs n MET 51 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 175.97 176.94 2dfs h ILE 52 N 0.01 1.33 -4.14 3.17 6.09 -0.06 -3.45 117.51 120.47 2dfs h ILE 52 Ca 0.00 -2.15 -0.54 0.00 -1.37 0.00 0.00 64.86 60.81 2dfs h ILE 52 Cb 0.00 2.15 0.14 0.00 0.47 0.00 0.00 36.82 39.59 2dfs h ILE 52 CO 0.00 0.66 0.45 0.54 -3.07 0.00 0.00 178.15 176.73 2dfs s ASN 53 N -7.08 4.65 0.00 2.19 2.20 -1.12 -2.71 114.94 113.07 2dfs s ASN 53 Ca -0.08 2.42 0.00 0.00 -0.94 0.00 0.00 52.86 54.26 2dfs s ASN 53 Cb 0.09 -2.60 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2dfs s ASN 53 CO 0.88 -1.96 0.00 1.21 -2.94 0.00 0.00 177.10 174.29 2dfs n GLU 54 N -2.15 0.00 -0.02 3.55 0.00 -1.26 -4.73 120.64 116.03 2dfs n GLU 54 Ca 0.14 0.00 0.02 0.00 0.00 0.00 0.00 57.16 57.32 2dfs n GLU 54 Cb 0.50 0.00 -0.09 0.00 0.00 0.00 0.00 31.44 31.85 2dfs n GLU 54 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.13 178.68 2dfs n VAL 55 N 0.00 0.27 0.00 6.31 3.14 -1.26 -4.50 118.33 122.29 2dfs n VAL 55 Ca 0.00 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 61.05 2dfs n VAL 55 Cb 0.00 -0.12 0.00 0.00 -1.06 0.00 0.00 33.84 32.66 2dfs n VAL 55 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 2dfs n ASP 56 N -2.08 0.00 0.28 6.55 2.03 -1.26 -3.64 116.55 118.42 2dfs n ASP 56 Ca -0.08 0.34 0.15 0.00 0.52 0.00 0.00 54.79 55.72 2dfs n ASP 56 Cb 0.50 -0.26 0.80 0.00 -0.72 0.00 0.00 41.12 41.44 2dfs n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2dfs h ALA 57 N -2.00 1.20 -0.75 -1.67 0.00 -1.89 -0.11 119.26 114.05 2dfs h ALA 57 Ca 0.00 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2dfs h ALA 57 Cb 0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 2dfs h ALA 57 CO 0.00 0.10 0.39 0.22 0.00 0.00 0.00 179.25 179.96 2dfs h ASP 58 N 0.00 0.95 0.82 0.00 3.58 -1.72 -3.04 116.42 117.01 2dfs h ASP 58 Ca -0.00 -0.11 -0.19 0.00 0.42 0.00 0.00 57.03 57.14 2dfs h ASP 58 Cb 0.30 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.08 2dfs h ASP 58 CO 0.01 0.79 -0.90 1.23 -2.88 0.00 0.00 179.24 177.49 2dfs h GLY 59 N 1.04 0.05 -3.75 -0.78 0.00 -1.31 -3.47 103.07 94.86 2dfs h GLY 59 Ca 0.26 -0.11 -0.53 0.00 0.00 0.00 0.00 47.33 46.95 2dfs h GLY 59 CO -0.04 0.10 0.69 -1.31 0.00 0.00 0.00 176.54 175.98 2dfs s ASN 60 N -6.80 6.42 0.12 0.19 0.01 -0.17 -4.96 114.94 109.75 2dfs s ASN 60 Ca -0.00 2.83 0.19 0.00 -0.71 0.00 0.00 52.86 55.16 2dfs s ASN 60 Cb 0.10 -2.65 -0.08 0.00 0.41 0.00 0.00 41.25 39.04 2dfs s ASN 60 CO 0.81 -0.79 0.93 1.23 -1.51 0.00 0.00 177.10 177.77 2dfs h GLY 61 N 2.97 0.00 -3.66 0.66 0.00 -1.90 -3.45 103.07 97.69 2dfs h GLY 61 Ca -0.50 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 2dfs h GLY 61 CO 0.64 0.00 -0.52 -0.51 0.00 0.00 0.00 176.54 176.15 2dfs s THR 62 N -3.07 0.15 -0.05 4.70 -4.23 -1.26 -2.03 115.64 109.85 2dfs s THR 62 Ca -0.02 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.25 2dfs s THR 62 Cb 0.09 -1.13 0.01 0.00 1.34 0.00 0.00 72.50 72.81 2dfs s THR 62 CO 0.80 -0.70 -0.10 0.27 -0.54 0.00 0.00 174.62 174.35 2dfs s ILE 63 N -3.18 0.93 0.65 2.99 -4.36 0.31 -4.83 121.20 113.72 2dfs s ILE 63 Ca -0.00 -0.37 -0.11 0.00 -0.26 0.00 0.00 60.65 59.91 2dfs s ILE 63 Cb 0.02 -0.87 -0.02 0.00 1.25 0.00 0.00 42.46 42.85 2dfs s ILE 63 CO -0.07 0.31 1.05 -0.62 0.24 0.00 0.00 174.94 175.85 2dfs s ASP 64 N 0.67 5.90 0.18 4.36 2.15 -1.26 -1.16 116.67 127.52 2dfs s ASP 64 Ca -0.12 1.34 -0.12 0.00 0.43 0.00 0.00 52.55 54.07 2dfs s ASP 64 Cb -0.15 -2.29 0.10 0.00 -0.30 0.00 0.00 42.92 40.28 2dfs s ASP 64 CO 0.02 -1.07 1.83 0.15 -0.17 0.00 0.00 175.17 175.93 2dfs h PHE 65 N -0.46 0.80 -0.91 -5.34 3.57 -2.00 -1.42 116.94 111.18 2dfs h PHE 65 Ca -0.44 0.00 0.17 0.00 3.53 0.00 0.00 57.97 61.23 2dfs h PHE 65 Cb 1.21 -0.26 -0.10 0.00 2.79 0.00 0.00 35.95 39.59 2dfs h PHE 65 CO 0.60 0.54 0.50 -1.00 -2.23 0.00 0.00 178.31 176.72 2dfs h PRO 66 N 0.83 0.63 -0.09 6.41 0.13 -1.95 -0.89 132.00 137.07 2dfs h PRO 66 Ca 0.22 -0.04 -0.00 0.00 -0.87 0.00 0.00 66.00 65.31 2dfs h PRO 66 Cb -0.04 -0.14 -0.00 0.00 0.13 0.00 0.00 31.00 30.95 2dfs h PRO 66 CO -0.04 0.42 0.04 1.49 -0.23 0.00 0.00 178.00 179.68 2dfs h GLU 67 N 0.65 0.13 -0.62 0.86 4.22 -1.79 -2.11 114.58 115.92 2dfs h GLU 67 Ca 0.52 -0.02 -0.03 0.00 0.08 0.00 0.00 59.36 59.91 2dfs h GLU 67 Cb 0.79 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.99 2dfs h GLU 67 CO -0.39 0.22 0.27 0.35 -2.18 0.00 0.00 179.01 177.28 2dfs h PHE 68 N 0.01 0.92 -0.79 0.92 3.57 -1.09 -0.21 116.94 120.27 2dfs h PHE 68 Ca 0.03 -0.06 0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dfs h PHE 68 Cb 0.14 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 38.56 2dfs h PHE 68 CO -0.03 0.72 0.49 1.25 -2.23 0.00 0.00 178.31 178.52 2dfs h LEU 69 N 0.86 0.92 -0.41 0.59 6.46 -1.17 0.18 115.31 122.73 2dfs h LEU 69 Ca 0.21 -0.04 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2dfs h LEU 69 Cb 0.17 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.85 2dfs h LEU 69 CO -0.02 0.69 0.16 0.74 -0.62 0.00 0.00 178.44 179.39 2dfs h THR 70 N 1.08 1.20 -0.52 1.05 2.02 -0.58 -1.81 112.91 115.35 2dfs h THR 70 Ca 0.29 -0.64 -0.01 0.00 0.77 0.00 0.00 66.41 66.81 2dfs h THR 70 Cb -0.08 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.16 2dfs h THR 70 CO -0.06 0.23 0.27 0.24 0.37 0.00 0.00 175.52 176.58 2dfs h MET 71 N 0.52 0.73 -0.74 6.66 2.86 -0.51 -2.01 114.93 122.44 2dfs h MET 71 Ca 0.14 -0.09 0.01 0.00 -2.06 0.00 0.00 59.70 57.69 2dfs h MET 71 Cb 0.21 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.70 2dfs h MET 71 CO -0.01 0.58 0.48 1.98 1.06 0.00 0.00 176.91 181.00 2dfs h MET 72 N 0.69 0.98 -0.57 1.72 -1.53 -0.98 -1.76 114.93 113.48 2dfs h MET 72 Ca 0.18 -0.07 -0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2dfs h MET 72 Cb 0.07 -0.22 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2dfs h MET 72 CO -0.03 0.66 0.29 0.00 0.14 0.00 0.00 176.91 177.97 2dfs h ALA 73 N 1.26 0.74 -0.52 0.39 0.00 -1.12 -0.58 119.26 119.44 2dfs h ALA 73 Ca 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 2dfs h ALA 73 Cb -0.10 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.44 2dfs h ALA 73 CO -0.06 0.29 0.25 -0.09 0.00 0.00 0.00 179.25 179.64 2dfs h ARG 74 N 0.78 0.75 -0.60 0.00 2.43 -1.18 -3.25 114.38 113.30 2dfs h ARG 74 Ca 0.20 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 2dfs h ARG 74 Cb 0.10 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.52 2dfs h ARG 74 CO -0.03 0.62 0.00 1.63 -1.51 0.00 0.00 179.97 180.69 2dfs n LYS 75 N -4.59 2.94 -0.24 0.20 4.76 -0.68 -4.77 118.16 115.78 2dfs n LYS 75 Ca 0.02 -2.54 0.00 0.00 -2.87 0.00 0.00 58.31 52.92 2dfs n LYS 75 Cb 0.12 -1.55 0.07 0.00 -1.84 0.00 0.00 35.03 31.84 2dfs n LYS 75 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 2dfs h MET 76 N 3.56 -0.01 -0.78 1.97 4.05 -1.14 -1.14 114.93 121.45 2dfs h MET 76 Ca 0.00 0.00 0.10 0.00 -0.28 0.00 0.00 59.70 59.52 2dfs h MET 76 Cb 1.01 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 31.73 2dfs h MET 76 CO 0.04 -0.01 0.42 0.87 0.23 0.00 0.00 176.91 178.46 2dfs h LYS 77 N -0.01 0.67 -0.09 0.39 1.57 -1.87 0.20 116.57 117.43 2dfs h LYS 77 Ca 0.33 -0.04 -0.23 0.00 -1.87 0.00 0.00 60.65 58.84 2dfs h LYS 77 Cb 0.51 -0.15 0.01 0.00 0.08 0.00 0.00 32.23 32.68 2dfs h LYS 77 CO -0.72 0.44 -0.85 -0.44 -0.57 0.00 0.00 179.45 177.31 2dfs h ASP 78 N 0.69 0.81 -0.35 0.86 3.32 -1.62 -1.88 116.42 118.25 2dfs h ASP 78 Ca 0.39 -0.57 -0.07 0.00 0.02 0.00 0.00 57.03 56.79 2dfs h ASP 78 Cb 0.41 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.70 2dfs h ASP 78 CO -0.27 1.36 -0.06 0.74 -1.72 0.00 0.00 179.24 179.29 2dfs h THR 79 N 0.43 1.27 -0.67 0.35 2.02 -0.77 -2.96 112.91 112.57 2dfs h THR 79 Ca -0.07 -1.10 -0.05 0.00 0.77 0.00 0.00 66.41 65.96 2dfs h THR 79 Cb 1.48 1.28 -0.03 0.00 -1.74 0.00 0.00 68.15 69.14 2dfs h THR 79 CO 0.17 0.36 0.21 0.44 0.37 0.00 0.00 175.52 177.07 2dfs h ASP 80 N 0.45 0.95 -0.26 4.18 3.32 -0.63 -3.10 116.42 121.32 2dfs h ASP 80 Ca 0.09 -0.16 0.08 0.00 0.02 0.00 0.00 57.03 57.05 2dfs h ASP 80 Cb 0.55 -0.25 -0.01 0.00 0.22 0.00 0.00 39.33 39.85 2dfs h ASP 80 CO 0.03 0.88 0.23 -1.28 -1.72 0.00 0.00 179.24 177.38 2dfs h SER 81 N 0.99 0.00 0.78 6.45 0.87 -1.17 -0.84 113.55 120.63 2dfs h SER 81 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2dfs h SER 81 Cb 0.27 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 2dfs h SER 81 CO -0.01 0.00 0.00 -0.33 -0.53 0.00 0.00 176.83 175.96 2dfs h GLU 82 N 0.00 0.00 -0.01 2.24 4.39 -1.50 -3.27 114.58 116.43 2dfs h GLU 82 Ca 0.12 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.82 2dfs h GLU 82 Cb 0.57 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.22 2dfs h GLU 82 CO -0.00 0.00 -0.57 -0.85 -1.16 0.00 0.00 179.01 176.43 2dfs n GLU 83 N -2.40 0.79 -0.11 2.33 0.28 -0.32 -4.28 120.64 116.92 2dfs n GLU 83 Ca 0.02 -0.62 -0.09 0.00 -0.16 0.00 0.00 57.16 56.31 2dfs n GLU 83 Cb 0.24 -1.49 -0.01 0.00 1.43 0.00 0.00 31.44 31.61 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 1.51 0.48 -5.90 3.44 4.22 -1.69 -3.45 114.58 113.20 2dfs h GLU 84 Ca 0.00 -0.05 -0.58 0.00 0.08 0.00 0.00 59.36 58.81 2dfs h GLU 84 Cb 0.64 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.79 2dfs h GLU 84 CO 0.00 0.37 1.51 0.44 -2.18 0.00 0.00 179.01 179.16 2dfs n ILE 85 N -4.80 0.23 -0.01 2.32 -5.35 -1.26 -4.81 119.36 105.69 2dfs n ILE 85 Ca -0.01 -0.48 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 2dfs n ILE 85 Cb 0.06 -2.40 -0.02 0.00 -1.74 0.00 0.00 39.64 35.54 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 8.70 1.54 -4.71 6.28 1.85 -1.26 -4.87 116.66 124.19 2dfs n ARG 86 Ca 0.34 -0.01 -0.31 0.00 -1.00 0.00 0.00 57.85 56.86 2dfs n ARG 86 Cb 0.42 -1.06 -0.13 0.00 -1.05 0.00 0.00 32.46 30.64 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 -2.12 2.26 0.12 2.89 1.03 -1.26 -4.75 118.70 116.87 2dfs s GLU 87 Ca -0.01 -0.86 -0.22 0.00 0.03 0.00 0.00 54.97 53.90 2dfs s GLU 87 Cb 0.01 -2.28 0.06 0.00 -0.80 0.00 0.00 34.13 31.12 2dfs s GLU 87 CO 0.10 0.57 0.56 0.00 -1.33 0.00 0.00 175.26 175.16 2dfs s ALA 88 N -0.87 -1.45 -0.05 -0.84 0.00 -1.26 -5.17 121.76 112.12 2dfs s ALA 88 Ca 0.14 0.48 0.06 0.00 0.00 0.00 0.00 51.96 52.64 2dfs s ALA 88 Cb -0.11 0.70 -0.01 0.00 0.00 0.00 0.00 23.12 23.70 2dfs s ALA 88 CO 0.04 -0.67 -0.24 -0.59 0.00 0.00 0.00 175.76 174.30 2dfs s PHE 89 N -3.34 2.33 -0.12 0.00 -0.71 -1.26 -5.09 117.98 109.79 2dfs s PHE 89 Ca -0.01 -0.68 -0.09 0.00 -1.04 0.00 0.00 56.93 55.11 2dfs s PHE 89 Cb -0.00 -1.53 0.04 0.00 -1.21 0.00 0.00 43.02 40.31 2dfs s PHE 89 CO -0.09 -0.21 0.30 0.50 -1.34 0.00 0.00 175.22 174.38 2dfs s ARG 90 N -0.15 0.32 0.38 1.99 6.06 -1.26 -5.15 118.95 121.15 2dfs s ARG 90 Ca -0.03 0.48 -0.15 0.00 -2.50 0.00 0.00 55.73 53.53 2dfs s ARG 90 Cb -0.13 0.08 -0.09 0.00 0.06 0.00 0.00 34.95 34.87 2dfs s ARG 90 CO 0.03 -0.08 0.81 0.54 -2.50 0.00 0.00 175.30 174.10 2dfs s VAL 91 N 0.54 4.63 0.00 7.11 0.11 -1.26 -4.80 120.40 126.73 2dfs s VAL 91 Ca -0.03 1.00 0.00 0.00 -2.93 0.00 0.00 61.98 60.02 2dfs s VAL 91 Cb -0.05 -3.65 0.00 0.00 -1.53 0.00 0.00 36.38 31.16 2dfs s VAL 91 CO -0.03 -0.35 0.00 0.49 -3.33 0.00 0.00 175.10 171.88 2dfs n PHE 92 N -0.78 -0.69 -1.40 1.54 3.72 -1.26 -5.04 117.46 113.56 2dfs n PHE 92 Ca 0.04 0.00 -0.61 0.00 -0.05 0.00 0.00 57.45 56.83 2dfs n PHE 92 Cb 0.54 0.14 -0.11 0.00 -0.94 0.00 0.00 39.48 39.11 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 -1.97 0.90 -0.00 4.37 -0.08 -1.26 -4.84 116.55 113.66 2dfs n ASP 93 Ca 0.00 0.85 0.04 0.00 -1.51 0.00 0.00 54.79 54.17 2dfs n ASP 93 Cb 0.00 -0.86 -0.06 0.00 2.34 0.00 0.00 41.12 42.54 2dfs n ASP 93 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 2dfs n LYS 94 N 5.93 2.31 -0.01 -0.67 5.02 -1.26 -4.67 118.16 124.81 2dfs n LYS 94 Ca 0.44 -0.04 0.11 0.00 -2.02 0.00 0.00 58.31 56.80 2dfs n LYS 94 Cb -0.05 -1.05 -0.16 0.00 -0.02 0.00 0.00 35.03 33.75 2dfs n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2dfs n ASP 95 N -1.49 0.16 -0.31 4.39 8.00 -1.26 -4.98 116.55 121.05 2dfs n ASP 95 Ca 0.00 -0.14 0.00 0.00 0.71 0.00 0.00 54.79 55.36 2dfs n ASP 95 Cb 0.18 1.85 0.00 0.00 -0.02 0.00 0.00 41.12 43.13 2dfs n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfs n GLY 96 N 1.30 0.92 0.28 0.44 0.00 -1.26 -4.99 105.19 101.88 2dfs n GLY 96 Ca -0.03 -0.56 -0.03 0.00 0.00 0.00 0.00 46.02 45.40 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 0.67 0.00 1.61 2.35 -1.94 -3.47 115.58 114.81 2dfs h ASN 97 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 56.30 55.59 2dfs h ASN 97 Cb 0.78 -0.18 0.00 0.00 0.05 0.00 0.00 38.32 38.97 2dfs h ASN 97 CO 0.00 0.75 0.00 0.61 -1.65 0.00 0.00 177.43 177.14 2dfs n GLY 98 N -0.69 0.54 3.26 2.83 0.00 -1.26 -5.07 105.19 104.80 2dfs n GLY 98 Ca 0.02 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.11 1.62 0.03 1.61 2.02 -1.26 -1.96 117.35 117.30 2dfs s TYR 99 Ca 0.00 -0.44 0.01 0.00 -0.37 0.00 0.00 57.07 56.27 2dfs s TYR 99 Cb 0.00 -0.88 -0.02 0.00 -0.40 0.00 0.00 41.96 40.66 2dfs s TYR 99 CO 0.00 0.17 -0.06 0.96 -1.57 0.00 0.00 175.55 175.06 2dfs s ILE 100 N -1.33 0.36 0.68 2.71 -4.36 -0.67 -4.45 121.20 114.13 2dfs s ILE 100 Ca 0.05 -1.02 -0.14 0.00 -0.26 0.00 0.00 60.65 59.28 2dfs s ILE 100 Cb -0.09 -0.48 0.01 0.00 1.25 0.00 0.00 42.46 43.15 2dfs s ILE 100 CO 0.04 -0.44 1.10 -0.94 0.24 0.00 0.00 174.94 174.94 2dfs s SER 101 N -1.55 5.04 0.42 4.36 1.04 -1.26 -0.59 113.70 121.15 2dfs s SER 101 Ca -0.12 1.95 0.10 0.00 0.48 0.00 0.00 55.95 58.36 2dfs s SER 101 Cb -0.10 -2.54 0.93 0.00 0.10 0.00 0.00 66.02 64.41 2dfs s SER 101 CO -0.00 -1.67 2.01 0.00 0.98 0.00 0.00 173.24 174.55 2dfs h ALA 102 N -0.18 1.85 -0.30 5.32 0.00 -1.63 -1.27 119.26 123.05 2dfs h ALA 102 Ca -0.46 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 2dfs h ALA 102 Cb 1.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2dfs h ALA 102 CO 0.54 0.07 0.16 0.00 0.00 0.00 0.00 179.25 180.02 2dfs h ALA 103 N 1.71 0.38 -0.60 0.00 0.00 -1.93 -0.80 119.26 118.02 2dfs h ALA 103 Ca 0.23 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 2dfs h ALA 103 Cb 0.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2dfs h ALA 103 CO -0.06 -0.09 0.21 0.93 0.00 0.00 0.00 179.25 180.24 2dfs h GLU 104 N 0.36 0.91 -0.45 0.00 5.08 -1.85 -0.63 114.58 118.01 2dfs h GLU 104 Ca 0.10 -0.18 0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2dfs h GLU 104 Cb 0.06 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.15 2dfs h GLU 104 CO -0.02 0.80 0.29 1.25 -1.00 0.00 0.00 179.01 180.33 2dfs h LEU 105 N 0.84 0.49 -0.47 1.33 5.85 -1.17 -1.16 115.31 121.02 2dfs h LEU 105 Ca 0.20 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.89 2dfs h LEU 105 Cb 0.25 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2dfs h LEU 105 CO -0.01 0.35 0.23 -0.09 -0.34 0.00 0.00 178.44 178.58 2dfs h ARG 106 N 0.59 0.68 -0.53 1.25 2.43 -0.99 -1.51 114.38 116.29 2dfs h ARG 106 Ca 0.17 -0.10 0.05 0.00 -0.81 0.00 0.00 59.98 59.30 2dfs h ARG 106 Cb -0.04 -0.12 -0.05 0.00 -0.42 0.00 0.00 29.97 29.34 2dfs h ARG 106 CO -0.05 0.57 0.26 1.25 -1.51 0.00 0.00 179.97 180.49 2dfs h HIS 107 N 0.62 0.48 -0.39 2.20 2.76 -0.93 0.18 115.15 120.08 2dfs h HIS 107 Ca 0.16 0.02 -0.06 0.00 -2.20 0.00 0.00 60.37 58.30 2dfs h HIS 107 Cb 0.11 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.92 2dfs h HIS 107 CO -0.01 0.22 0.02 -0.24 -1.30 0.00 0.00 177.93 176.62 2dfs h VAL 108 N 0.51 1.25 -0.31 5.26 3.04 -1.03 -0.47 116.25 124.51 2dfs h VAL 108 Ca 0.24 -0.95 -0.10 0.00 -1.01 0.00 0.00 66.70 64.88 2dfs h VAL 108 Cb 0.17 1.11 -0.01 0.00 -2.01 0.00 0.00 31.29 30.56 2dfs h VAL 108 CO -0.18 0.32 -0.20 0.24 -1.01 0.00 0.00 177.57 176.74 2dfs h MET 109 N 0.50 0.68 0.00 4.17 2.07 -0.99 -2.55 114.93 118.81 2dfs h MET 109 Ca 0.11 -0.32 -0.15 0.00 -2.07 0.00 0.00 59.70 57.28 2dfs h MET 109 Cb 0.44 -0.01 -0.03 0.00 -1.87 0.00 0.00 31.60 30.13 2dfs h MET 109 CO 0.02 0.92 -1.47 0.25 1.07 0.00 0.00 176.91 177.70 2dfs n THR 110 N -4.33 1.03 0.78 2.22 -2.24 0.62 -0.91 114.28 111.46 2dfs n THR 110 Ca -0.03 -0.67 0.08 0.00 -2.27 0.00 0.00 64.05 61.16 2dfs n THR 110 Cb 0.42 -0.61 -0.08 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.80 0.96 -3.94 3.42 5.15 -0.18 -4.40 115.26 113.46 2dfs n ASN 111 Ca -0.10 -0.98 -0.16 0.00 -0.60 0.00 0.00 54.58 52.74 2dfs n ASN 111 Cb 0.80 0.90 -0.15 0.00 -0.53 0.00 0.00 39.78 40.80 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2dfs s LEU 112 N -2.66 1.88 0.00 1.20 1.43 -0.96 -4.93 118.68 114.64 2dfs s LEU 112 Ca 0.08 -0.09 0.00 0.00 -1.03 0.00 0.00 54.13 53.09 2dfs s LEU 112 Cb 0.13 -0.28 0.00 0.00 0.03 0.00 0.00 46.19 46.07 2dfs s LEU 112 CO 0.63 0.04 0.00 0.61 0.23 0.00 0.00 176.35 177.86 2dfs n GLY 113 N 3.14 0.69 0.18 -3.19 0.00 -1.26 -3.95 105.19 100.81 2dfs n GLY 113 Ca -0.15 -1.19 0.11 0.00 0.00 0.00 0.00 46.02 44.79 2dfs n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2dfs h GLU 114 N 0.00 0.00 -2.99 1.61 5.08 -1.95 -3.51 114.58 112.82 2dfs h GLU 114 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2dfs h GLU 114 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2dfs h GLU 114 CO 0.00 0.02 -0.56 1.63 -1.00 0.00 0.00 179.01 179.10 2dfs n LYS 115 N -2.97 -3.25 -2.97 2.33 5.02 -1.25 -5.08 118.16 109.98 2dfs n LYS 115 Ca 0.03 2.52 -0.24 0.00 -2.02 0.00 0.00 58.31 58.60 2dfs n LYS 115 Cb 0.55 -2.52 0.01 0.00 -0.02 0.00 0.00 35.03 33.05 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 -0.30 3.66 0.66 -0.35 1.43 -0.09 -4.98 118.68 118.71 2dfs s LEU 116 Ca 0.00 0.39 -0.11 0.00 -1.03 0.00 0.00 54.13 53.38 2dfs s LEU 116 Cb 0.00 -3.27 -0.01 0.00 0.03 0.00 0.00 46.19 42.94 2dfs s LEU 116 CO 0.00 -0.66 1.06 0.42 0.23 0.00 0.00 176.35 177.39 2dfs s THR 117 N -2.57 4.21 0.24 5.49 -4.23 -1.26 -4.27 115.64 113.24 2dfs s THR 117 Ca 0.48 0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 61.63 2dfs s THR 117 Cb -0.10 -3.65 0.23 0.00 1.34 0.00 0.00 72.50 70.32 2dfs s THR 117 CO 0.39 -0.94 1.89 0.44 -0.54 0.00 0.00 174.62 175.86 2dfs h ASP 118 N -0.51 1.13 -0.97 3.99 3.32 -1.98 -2.53 116.42 118.87 2dfs h ASP 118 Ca -0.44 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.55 2dfs h ASP 118 Cb 1.21 -0.28 -0.05 0.00 0.22 0.00 0.00 39.33 40.43 2dfs h ASP 118 CO 0.61 0.85 0.61 1.05 -1.72 0.00 0.00 179.24 180.65 2dfs h GLU 119 N 1.30 1.29 -0.55 3.56 4.11 -1.98 0.25 114.58 122.57 2dfs h GLU 119 Ca 0.34 -0.10 0.01 0.00 0.07 0.00 0.00 59.36 59.68 2dfs h GLU 119 Cb -0.07 -0.28 -0.03 0.00 0.50 0.00 0.00 28.75 28.87 2dfs h GLU 119 CO -0.07 0.88 0.36 0.93 0.07 0.00 0.00 179.01 181.19 2dfs h GLU 120 N 1.32 0.71 -0.46 1.06 5.08 -1.93 0.19 114.58 120.55 2dfs h GLU 120 Ca 0.35 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.62 2dfs h GLU 120 Cb -0.10 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2dfs h GLU 120 CO -0.07 0.47 0.10 0.28 -1.00 0.00 0.00 179.01 178.79 2dfs h VAL 121 N 0.73 1.24 -0.68 3.13 2.07 -0.92 -0.99 116.25 120.83 2dfs h VAL 121 Ca 0.20 -0.85 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2dfs h VAL 121 Cb -0.07 0.90 -0.03 0.00 -1.52 0.00 0.00 31.29 30.57 2dfs h VAL 121 CO -0.05 0.30 0.36 0.44 0.02 0.00 0.00 177.57 178.64 2dfs h ASP 122 N 0.62 0.84 -0.48 0.57 3.32 -0.47 -1.14 116.42 119.68 2dfs h ASP 122 Ca 0.14 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.09 2dfs h ASP 122 Cb 0.34 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 2dfs h ASP 122 CO 0.00 0.68 0.17 -0.08 -1.72 0.00 0.00 179.24 178.29 2dfs h GLU 123 N 0.95 0.74 -0.63 3.56 4.81 -0.81 -3.22 114.58 119.98 2dfs h GLU 123 Ca 0.24 -0.15 -0.05 0.00 -0.13 0.00 0.00 59.36 59.27 2dfs h GLU 123 Cb 0.03 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.28 2dfs h GLU 123 CO -0.04 0.69 0.18 1.98 -0.73 0.00 0.00 179.01 181.09 2dfs h MET 124 N 0.64 0.97 -0.58 1.92 4.05 -0.70 -2.45 114.93 118.77 2dfs h MET 124 Ca 0.16 -0.20 0.00 0.00 -0.28 0.00 0.00 59.70 59.38 2dfs h MET 124 Cb 0.25 -0.14 0.00 0.00 -0.80 0.00 0.00 31.60 30.90 2dfs h MET 124 CO -0.01 0.84 0.00 0.44 0.23 0.00 0.00 176.91 178.41 2dfs n ILE 125 N -4.27 0.02 1.08 1.77 -5.35 -0.48 -1.73 119.36 110.42 2dfs n ILE 125 Ca 0.05 -0.01 0.12 0.00 -0.27 0.00 0.00 62.75 62.63 2dfs n ILE 125 Cb 0.22 -0.29 0.16 0.00 -1.74 0.00 0.00 39.64 37.99 2dfs n ILE 125 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 2dfs n ARG 126 N -0.19 0.63 -0.38 6.28 1.74 -0.92 -4.36 116.66 119.45 2dfs n ARG 126 Ca 0.00 -0.45 0.03 0.00 -0.77 0.00 0.00 57.85 56.66 2dfs n ARG 126 Cb 0.15 -1.49 0.04 0.00 -1.02 0.00 0.00 32.46 30.14 2dfs n ARG 126 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2dfs n GLU 127 N -0.79 0.34 -4.86 5.56 0.28 -0.70 -5.02 120.64 115.44 2dfs n GLU 127 Ca 0.09 -1.41 -0.32 0.00 -0.16 0.00 0.00 57.16 55.35 2dfs n GLU 127 Cb 0.38 -0.76 -0.17 0.00 1.43 0.00 0.00 31.44 32.32 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 -0.76 2.22 0.23 -1.84 0.00 -1.13 -5.01 121.76 115.48 2dfs s ALA 128 Ca 0.08 -1.05 -0.32 0.00 0.00 0.00 0.00 51.96 50.68 2dfs s ALA 128 Cb 0.07 -0.93 -0.12 0.00 0.00 0.00 0.00 23.12 22.14 2dfs s ALA 128 CO 0.01 0.08 1.70 -0.51 0.00 0.00 0.00 175.76 177.04 2dfs s ASP 129 N 0.65 6.37 -0.04 0.00 1.01 -1.26 -4.88 116.67 118.51 2dfs s ASP 129 Ca -0.11 2.89 0.01 0.00 0.71 0.00 0.00 52.55 56.05 2dfs s ASP 129 Cb -0.16 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.18 2dfs s ASP 129 CO 0.02 -0.96 -0.05 -0.51 0.21 0.00 0.00 175.17 173.88 2dfs s ILE 130 N 0.91 0.54 0.96 0.77 1.10 -1.26 -4.75 121.20 119.46 2dfs s ILE 130 Ca 0.72 -0.13 -0.16 0.00 -0.51 0.00 0.00 60.65 60.57 2dfs s ILE 130 Cb -0.49 -0.56 0.23 0.00 0.15 0.00 0.00 42.46 41.78 2dfs s ILE 130 CO 0.36 0.22 1.12 -0.90 -2.11 0.00 0.00 174.94 173.63 2dfs n ASP 131 N 4.03 -0.63 0.02 4.50 5.68 -0.98 -4.94 116.55 124.22 2dfs n ASP 131 Ca -0.25 -1.32 0.13 0.00 -0.50 0.00 0.00 54.79 52.85 2dfs n ASP 131 Cb 0.51 -0.91 0.53 0.00 -1.14 0.00 0.00 41.12 40.11 2dfs n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2dfs n GLY 132 N -3.25 -1.43 0.15 6.12 0.00 -1.26 -2.95 105.19 102.57 2dfs n GLY 132 Ca 0.15 -0.07 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2dfs n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2dfs h ASP 133 N 0.00 0.66 0.00 1.61 3.32 -2.06 -3.48 116.42 116.48 2dfs h ASP 133 Ca 0.00 -0.61 0.00 0.00 0.02 0.00 0.00 57.03 56.44 2dfs h ASP 133 Cb 0.48 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.83 2dfs h ASP 133 CO 0.00 1.44 0.00 0.61 -1.72 0.00 0.00 179.24 179.57 2dfs n GLY 134 N 1.30 1.66 3.72 2.75 0.00 -1.15 -5.06 105.19 108.41 2dfs n GLY 134 Ca -0.10 0.00 -0.23 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 2.49 -0.06 1.61 -0.21 -1.26 -1.59 119.66 120.51 2dfs s GLN 135 Ca 0.00 -1.36 0.01 0.00 0.02 0.00 0.00 55.36 54.03 2dfs s GLN 135 Cb 0.00 -2.28 0.02 0.00 1.00 0.00 0.00 33.01 31.75 2dfs s GLN 135 CO 0.00 0.28 -0.07 0.54 -2.12 0.00 0.00 175.29 173.92 2dfs s VAL 136 N -2.31 0.79 -0.31 1.09 0.11 0.24 -2.33 120.40 117.68 2dfs s VAL 136 Ca 0.34 -0.25 -0.28 0.00 -2.93 0.00 0.00 61.98 58.86 2dfs s VAL 136 Cb -0.06 -0.78 -0.05 0.00 -1.53 0.00 0.00 36.38 33.97 2dfs s VAL 136 CO 0.22 0.29 2.15 0.21 -3.33 0.00 0.00 175.10 174.64 2dfs s ASN 137 N 0.96 5.33 0.46 3.54 2.47 -1.26 -1.67 114.94 124.78 2dfs s ASN 137 Ca -0.10 1.53 0.26 0.00 0.42 0.00 0.00 52.86 54.97 2dfs s ASN 137 Cb -0.15 -2.51 0.67 0.00 -1.45 0.00 0.00 41.25 37.81 2dfs s ASN 137 CO 0.00 -2.11 1.73 0.10 -3.72 0.00 0.00 177.10 173.09 2dfs h TYR 138 N 15.52 0.00 -0.41 0.43 -0.00 -1.75 -1.49 116.97 129.26 2dfs h TYR 138 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.28 2dfs h TYR 138 Cb 1.23 0.00 -0.01 0.00 0.00 0.00 0.00 36.73 37.94 2dfs h TYR 138 CO 0.95 0.06 -0.09 1.49 -0.00 0.00 0.00 178.16 180.56 2dfs h GLU 139 N 0.00 0.79 -0.43 0.10 4.81 -1.90 -1.36 114.58 116.59 2dfs h GLU 139 Ca -0.00 -0.30 -0.09 0.00 -0.13 0.00 0.00 59.36 58.83 2dfs h GLU 139 Cb 0.86 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.18 2dfs h GLU 139 CO 0.01 0.92 -0.10 1.49 -0.73 0.00 0.00 179.01 180.60 2dfs h GLU 140 N 0.61 0.83 -0.78 1.92 4.81 -1.89 -2.49 114.58 117.60 2dfs h GLU 140 Ca 0.11 -0.31 0.03 0.00 -0.13 0.00 0.00 59.36 59.05 2dfs h GLU 140 Cb 0.62 -0.05 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 2dfs h GLU 140 CO 0.04 0.94 0.50 0.35 -0.73 0.00 0.00 179.01 180.11 2dfs h PHE 141 N 0.65 0.94 -0.66 0.92 3.57 -1.27 0.42 116.94 121.51 2dfs h PHE 141 Ca 0.11 0.02 -0.07 0.00 3.53 0.00 0.00 57.97 61.57 2dfs h PHE 141 Cb 0.63 -0.31 -0.03 0.00 2.79 0.00 0.00 35.95 39.03 2dfs h PHE 141 CO 0.05 0.55 0.15 -0.39 -2.23 0.00 0.00 178.31 176.44 2dfs h VAL 142 N 0.98 1.25 -0.51 1.41 -1.51 -1.23 -2.08 116.25 114.57 2dfs h VAL 142 Ca 0.30 -0.95 -0.02 0.00 -1.23 0.00 0.00 66.70 64.80 2dfs h VAL 142 Cb -0.02 0.58 -0.02 0.00 -2.13 0.00 0.00 31.29 29.70 2dfs h VAL 142 CO -0.10 0.36 0.23 1.56 -1.23 0.00 0.00 177.57 178.39 2dfs h GLN 143 N 1.00 0.74 -0.38 5.19 4.20 -0.94 -2.34 115.11 122.58 2dfs h GLN 143 Ca 0.21 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2dfs h GLN 143 Cb 0.36 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 2dfs h GLN 143 CO 0.00 0.63 0.20 0.52 -0.67 0.00 0.00 178.83 179.51 2dfs h MET 144 N 0.68 0.54 -0.21 1.46 2.86 -0.86 -0.70 114.93 118.71 2dfs h MET 144 Ca 0.17 -0.07 -0.08 0.00 -2.06 0.00 0.00 59.70 57.66 2dfs h MET 144 Cb 0.14 -0.10 -0.01 0.00 0.06 0.00 0.00 31.60 31.68 2dfs h MET 144 CO -0.02 0.46 -0.24 0.00 1.06 0.00 0.00 176.91 178.17 2dfs h MET 145 N 0.49 0.39 0.00 1.72 -0.00 -1.34 -2.50 114.93 113.68 2dfs h MET 145 Ca 0.13 -0.14 0.00 0.00 -0.00 0.00 0.00 59.70 59.70 2dfs h MET 145 Cb 0.08 -0.03 0.00 0.00 -0.00 0.00 0.00 31.60 31.65 2dfs h MET 145 CO -0.02 0.61 -0.24 1.79 -0.00 0.00 0.00 176.91 179.04 2dfs h THR 146 N 0.35 0.00 -3.24 -0.10 1.35 -1.38 -3.46 112.91 106.42 2dfs h THR 146 Ca 0.06 -0.85 -0.53 0.00 -0.55 0.00 0.00 66.41 64.53 2dfs h THR 146 Cb 0.61 1.72 0.08 0.00 -1.73 0.00 0.00 68.15 68.84 2dfs h THR 146 CO 0.04 0.00 0.88 0.00 -0.25 0.00 0.00 175.52 176.20 2dfs n ALA 147 N -2.03 2.55 0.00 6.62 0.00 -0.27 -5.04 120.51 122.33 2dfs n ALA 147 Ca 0.03 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.85 2dfs n ALA 147 Cb 0.51 -2.46 0.00 0.00 0.00 0.00 0.00 19.45 17.49 2dfs n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67