#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 0.69 -0.16 -0.39 3.07 -2.05 -2.28 117.51 116.40 2dfs h ILE 9 Ca 0.00 -0.05 -0.01 0.00 1.55 0.00 0.00 64.86 66.35 2dfs h ILE 9 Cb 0.00 0.53 -0.01 0.00 -0.27 0.00 0.00 36.82 37.07 2dfs h ILE 9 CO 0.00 0.03 0.06 0.00 -1.05 0.00 0.00 178.15 177.18 2dfs h ALA 10 N 1.65 0.21 -0.30 0.16 0.00 -2.05 0.24 119.26 119.17 2dfs h ALA 10 Ca 0.35 -0.11 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 2dfs h ALA 10 Cb 1.18 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.90 2dfs h ALA 10 CO -0.05 -0.19 -0.36 1.49 0.00 0.00 0.00 179.25 180.14 2dfs h GLU 11 N 0.09 0.77 -0.78 0.00 4.57 -1.88 -2.57 114.58 114.78 2dfs h GLU 11 Ca 0.05 -0.43 -0.01 0.00 -1.18 0.00 0.00 59.36 57.80 2dfs h GLU 11 Cb 0.19 0.03 -0.04 0.00 -0.16 0.00 0.00 28.75 28.77 2dfs h GLU 11 CO -0.00 1.05 0.45 0.35 -1.18 0.00 0.00 179.01 179.68 2dfs h PHE 12 N 0.52 1.03 -0.73 0.92 3.57 -1.43 0.30 116.94 121.14 2dfs h PHE 12 Ca 0.04 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.49 2dfs h PHE 12 Cb 0.94 -0.34 -0.03 0.00 2.79 0.00 0.00 35.95 39.31 2dfs h PHE 12 CO 0.07 0.70 0.29 -0.22 -2.23 0.00 0.00 178.31 176.92 2dfs h LYS 13 N 1.08 1.08 -0.54 1.11 3.64 -0.43 0.67 116.57 123.18 2dfs h LYS 13 Ca 0.28 -0.19 -0.05 0.00 -1.27 0.00 0.00 60.65 59.42 2dfs h LYS 13 Cb -0.02 -0.18 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2dfs h LYS 13 CO -0.05 0.88 0.15 1.49 -2.27 0.00 0.00 179.45 179.65 2dfs h GLU 14 N 1.05 0.85 -0.89 1.90 4.22 -1.00 -0.27 114.58 120.45 2dfs h GLU 14 Ca 0.24 -0.19 0.05 0.00 0.08 0.00 0.00 59.36 59.54 2dfs h GLU 14 Cb 0.20 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.28 2dfs h GLU 14 CO -0.02 0.79 0.56 0.00 -2.18 0.00 0.00 179.01 178.16 2dfs h ALA 15 N 1.02 1.20 -0.85 2.92 0.00 -0.70 -1.40 119.26 121.44 2dfs h ALA 15 Ca 0.17 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2dfs h ALA 15 Cb 0.31 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2dfs h ALA 15 CO -0.00 0.36 0.53 0.35 0.00 0.00 0.00 179.25 180.49 2dfs h PHE 16 N 1.06 1.10 0.00 0.00 3.04 -0.65 -2.78 116.94 118.70 2dfs h PHE 16 Ca 0.37 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.33 2dfs h PHE 16 Cb 0.10 -0.36 0.00 0.00 2.56 0.00 0.00 35.95 38.24 2dfs h PHE 16 CO -0.02 0.71 0.00 0.45 -2.02 0.00 0.00 178.31 177.43 2dfs n SER 17 N -4.46 0.21 -0.36 0.41 2.88 -0.13 -0.35 113.62 111.82 2dfs n SER 17 Ca 0.09 0.54 0.12 0.00 -1.33 0.00 0.00 58.87 58.28 2dfs n SER 17 Cb 0.04 -0.59 0.15 0.00 -0.75 0.00 0.00 64.21 63.06 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 -1.71 1.53 -0.03 2.46 0.00 -0.63 -4.30 117.00 114.32 2dfs n LEU 18 Ca 0.05 -0.52 -0.01 0.00 0.00 0.00 0.00 56.01 55.52 2dfs n LEU 18 Cb 0.26 -0.06 -0.08 0.00 0.00 0.00 0.00 43.42 43.55 2dfs n LEU 18 CO 0.21 0.29 -0.74 0.49 0.00 0.00 0.00 177.39 177.64 2dfs n PHE 19 N -0.40 0.00 -1.91 1.96 3.01 -0.32 -4.78 117.46 115.03 2dfs n PHE 19 Ca 0.10 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.14 2dfs n PHE 19 Cb 0.41 -0.38 -0.03 0.00 -0.01 0.00 0.00 39.48 39.47 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 -3.81 6.57 -0.03 4.37 2.15 0.53 -4.82 116.67 121.63 2dfs s ASP 20 Ca -0.04 2.60 -0.01 0.00 0.43 0.00 0.00 52.55 55.53 2dfs s ASP 20 Cb 0.04 -2.58 -0.02 0.00 -0.30 0.00 0.00 42.92 40.06 2dfs s ASP 20 CO 0.40 -0.86 -0.04 0.29 -0.17 0.00 0.00 175.17 174.79 2dfs n LYS 21 N 4.48 0.08 -0.22 4.34 4.76 -1.26 -4.68 118.16 125.66 2dfs n LYS 21 Ca 0.15 0.03 -0.08 0.00 -2.87 0.00 0.00 58.31 55.53 2dfs n LYS 21 Cb 0.39 -0.85 0.03 0.00 -1.84 0.00 0.00 35.03 32.76 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 -0.06 0.90 -0.01 4.39 3.32 -1.93 -3.48 116.42 119.55 2dfs h ASP 22 Ca -0.08 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2dfs h ASP 22 Cb 1.10 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.41 2dfs h ASP 22 CO -0.03 0.88 0.00 0.61 -1.72 0.00 0.00 179.24 178.98 2dfs n GLY 23 N -0.69 1.35 0.67 2.75 0.00 -1.26 -5.00 105.19 103.00 2dfs n GLY 23 Ca 0.04 -0.35 0.13 0.00 0.00 0.00 0.00 46.02 45.84 2dfs n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dfs n ASP 24 N 0.78 2.08 0.00 1.61 8.00 -1.26 -4.93 116.55 122.83 2dfs n ASP 24 Ca 0.00 -1.69 0.00 0.00 0.71 0.00 0.00 54.79 53.81 2dfs n ASP 24 Cb 0.20 -0.01 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2dfs n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dfs n GLY 25 N 1.24 1.28 2.95 0.44 0.00 -1.26 -5.00 105.19 104.84 2dfs n GLY 25 Ca 0.17 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.08 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 -3.40 0.17 0.15 2.61 -4.23 -1.26 -4.13 115.64 105.55 2dfs s THR 26 Ca 0.00 -0.55 0.09 0.00 -1.18 0.00 0.00 61.69 60.05 2dfs s THR 26 Cb 0.00 -0.24 -0.04 0.00 1.34 0.00 0.00 72.50 73.56 2dfs s THR 26 CO 0.00 -0.25 -0.14 0.27 -0.54 0.00 0.00 174.62 173.96 2dfs s ILE 27 N -0.81 3.02 0.33 2.99 -4.36 -0.21 -4.73 121.20 117.43 2dfs s ILE 27 Ca -0.08 -1.58 -0.29 0.00 -0.26 0.00 0.00 60.65 58.44 2dfs s ILE 27 Cb -0.06 -2.44 -0.12 0.00 1.25 0.00 0.00 42.46 41.09 2dfs s ILE 27 CO -0.00 -0.00 1.43 0.35 0.24 0.00 0.00 174.94 176.95 2dfs n THR 28 N 0.42 1.65 0.28 8.37 -2.24 -1.26 -0.73 114.28 120.78 2dfs n THR 28 Ca -0.13 -0.41 0.12 0.00 -2.27 0.00 0.00 64.05 61.36 2dfs n THR 28 Cb 0.54 -1.75 0.79 0.00 -2.10 0.00 0.00 70.33 67.81 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 0.72 -0.06 4.28 1.35 -1.75 -0.09 112.91 120.26 2dfs h THR 29 Ca -0.47 -0.09 0.02 0.00 -0.55 0.00 0.00 66.41 65.32 2dfs h THR 29 Cb 1.26 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 2dfs h THR 29 CO 0.68 0.02 0.05 0.11 -0.25 0.00 0.00 175.52 176.13 2dfs h LYS 30 N 0.00 0.00 -0.61 4.72 1.57 -1.90 -2.73 116.57 117.63 2dfs h LYS 30 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2dfs h LYS 30 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.36 2dfs h LYS 30 CO 0.00 0.00 0.00 0.39 -0.57 0.00 0.00 179.45 179.27 2dfs n GLU 31 N -4.35 2.85 -0.26 3.15 -0.58 -0.05 -4.29 120.64 117.11 2dfs n GLU 31 Ca -0.02 -1.92 -0.04 0.00 -0.42 0.00 0.00 57.16 54.76 2dfs n GLU 31 Cb 0.15 -1.69 0.07 0.00 -0.57 0.00 0.00 31.44 29.40 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 2.76 0.78 -0.24 -4.62 5.85 -1.59 -2.01 115.31 116.24 2dfs h LEU 32 Ca 0.00 -0.01 -0.21 0.00 0.84 0.00 0.00 57.88 58.50 2dfs h LEU 32 Cb 1.06 -0.18 0.01 0.00 0.37 0.00 0.00 40.66 41.91 2dfs h LEU 32 CO 0.16 0.55 -0.72 1.23 -0.34 0.00 0.00 178.44 179.33 2dfs h GLY 33 N 0.93 0.82 1.09 3.75 0.00 -1.84 -2.15 103.07 105.67 2dfs h GLY 33 Ca 0.28 -1.11 -0.07 0.00 0.00 0.00 0.00 47.33 46.43 2dfs h GLY 33 CO -0.08 0.99 0.16 -0.91 0.00 0.00 0.00 176.54 176.69 2dfs h THR 34 N 0.53 1.26 -0.71 4.70 1.35 -1.86 -1.47 112.91 116.72 2dfs h THR 34 Ca -0.03 -0.98 -0.06 0.00 -0.55 0.00 0.00 66.41 64.78 2dfs h THR 34 Cb 1.33 0.56 -0.03 0.00 -1.73 0.00 0.00 68.15 68.28 2dfs h THR 34 CO 0.15 0.38 0.20 1.62 -0.25 0.00 0.00 175.52 177.61 2dfs h VAL 35 N 1.06 1.26 -0.46 6.82 3.04 -1.20 0.55 116.25 127.31 2dfs h VAL 35 Ca 0.22 -0.93 0.00 0.00 -1.01 0.00 0.00 66.70 64.98 2dfs h VAL 35 Cb 0.38 0.52 -0.02 0.00 -2.01 0.00 0.00 31.29 30.16 2dfs h VAL 35 CO 0.00 0.36 0.30 0.24 -1.01 0.00 0.00 177.57 177.47 2dfs h MET 36 N 1.05 0.61 -0.80 4.17 2.86 -1.32 -2.04 114.93 119.46 2dfs h MET 36 Ca 0.22 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.79 2dfs h MET 36 Cb 0.34 -0.14 -0.04 0.00 0.06 0.00 0.00 31.60 31.83 2dfs h MET 36 CO -0.00 0.40 0.35 0.00 1.06 0.00 0.00 176.91 178.72 2dfs h ARG 37 N 0.62 1.18 -0.68 1.72 3.08 -1.12 -2.34 114.38 116.84 2dfs h ARG 37 Ca 0.17 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 60.02 2dfs h ARG 37 Cb -0.07 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 29.75 2dfs h ARG 37 CO -0.04 0.94 0.43 1.03 -1.07 0.00 0.00 179.97 181.26 2dfs h SER 38 N 1.16 0.80 -0.39 7.04 0.87 -0.70 -3.04 113.55 119.28 2dfs h SER 38 Ca 0.27 -0.04 -0.01 0.00 -1.23 0.00 0.00 61.79 60.78 2dfs h SER 38 Cb 0.18 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 2dfs h SER 38 CO -0.03 0.61 0.21 0.25 -0.53 0.00 0.00 176.83 177.34 2dfs h LEU 39 N 0.93 0.50 0.00 2.23 5.85 -1.19 -3.47 115.31 120.15 2dfs h LEU 39 Ca 0.25 -0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.87 2dfs h LEU 39 Cb -0.06 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.84 2dfs h LEU 39 CO -0.05 0.45 0.00 0.61 -0.34 0.00 0.00 178.44 179.11 2dfs n GLY 40 N -0.97 0.59 3.71 3.75 0.00 -0.92 -5.08 105.19 106.26 2dfs n GLY 40 Ca 0.00 -0.03 -0.29 0.00 0.00 0.00 0.00 46.02 45.70 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 0.68 -0.32 1.61 1.11 -0.96 -4.94 119.66 116.84 2dfs s GLN 41 Ca 0.00 0.45 0.15 0.00 0.01 0.00 0.00 55.36 55.97 2dfs s GLN 41 Cb 0.00 -1.77 0.47 0.00 -1.01 0.00 0.00 33.01 30.70 2dfs s GLN 41 CO 0.00 -2.54 1.08 0.09 0.01 0.00 0.00 175.29 173.93 2dfs n ASN 42 N -4.03 2.79 -4.76 5.90 3.02 -0.99 -4.02 115.26 113.16 2dfs n ASN 42 Ca 0.06 -2.88 -0.32 0.00 -0.03 0.00 0.00 54.58 51.40 2dfs n ASN 42 Cb 0.58 -0.46 0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2dfs n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2dfs s PRO 43 N -3.51 2.39 0.60 3.52 0.04 -1.26 -4.95 135.00 131.82 2dfs s PRO 43 Ca 0.36 1.28 -0.17 0.00 0.04 0.00 0.00 61.00 62.50 2dfs s PRO 43 Cb 0.39 -1.91 -0.03 0.00 0.04 0.00 0.00 34.50 33.00 2dfs s PRO 43 CO -0.03 -1.56 1.14 0.95 0.04 0.00 0.00 177.00 177.54 2dfs s THR 44 N -2.68 3.08 0.36 1.26 -4.23 -1.26 -4.93 115.64 107.24 2dfs s THR 44 Ca 0.64 0.60 0.17 0.00 -1.18 0.00 0.00 61.69 61.92 2dfs s THR 44 Cb -0.19 -3.17 0.15 0.00 1.34 0.00 0.00 72.50 70.63 2dfs s THR 44 CO 0.51 -0.22 1.89 -0.33 -0.54 0.00 0.00 174.62 175.93 2dfs h GLU 45 N 0.65 0.00 -0.22 3.99 4.39 -1.99 -1.77 114.58 119.64 2dfs h GLU 45 Ca -0.49 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.19 2dfs h GLU 45 Cb 1.26 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.90 2dfs h GLU 45 CO 0.55 0.29 0.06 0.00 -1.16 0.00 0.00 179.01 178.76 2dfs h ALA 46 N 1.71 0.28 -0.91 3.43 0.00 -1.99 -1.56 119.26 120.22 2dfs h ALA 46 Ca -0.00 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 2dfs h ALA 46 Cb 0.58 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 2dfs h ALA 46 CO 0.04 -0.09 0.52 1.49 0.00 0.00 0.00 179.25 181.21 2dfs h GLU 47 N 0.18 1.26 -0.56 0.00 4.81 -1.86 0.21 114.58 118.62 2dfs h GLU 47 Ca 0.07 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 2dfs h GLU 47 Cb 0.24 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 29.33 2dfs h GLU 47 CO -0.00 0.91 0.36 1.25 -0.73 0.00 0.00 179.01 180.79 2dfs h LEU 48 N 1.27 0.60 -0.94 1.64 6.46 -1.38 -2.22 115.31 120.75 2dfs h LEU 48 Ca 0.32 -0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 58.02 2dfs h LEU 48 Cb -0.01 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 2dfs h LEU 48 CO -0.06 0.43 0.17 1.56 -0.62 0.00 0.00 178.44 179.92 2dfs h GLN 49 N 0.72 0.94 0.00 1.25 1.08 0.05 0.53 115.11 119.68 2dfs h GLN 49 Ca 0.21 -0.20 0.00 0.00 -1.45 0.00 0.00 58.65 57.22 2dfs h GLN 49 Cb -0.05 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 2dfs h GLN 49 CO -0.06 0.83 0.00 -0.25 -0.95 0.00 0.00 178.83 178.39 2dfs n ASP 50 N -4.27 0.72 0.00 1.46 8.00 0.56 -2.83 116.55 120.20 2dfs n ASP 50 Ca 0.05 0.66 0.00 0.00 0.71 0.00 0.00 54.79 56.21 2dfs n ASP 50 Cb 0.23 -0.82 0.00 0.00 -0.02 0.00 0.00 41.12 40.51 2dfs n ASP 50 CO 0.00 0.00 0.00 1.15 -0.39 0.00 0.00 177.20 177.96 2dfs n MET 51 N -2.28 4.35 -0.03 -1.24 0.00 -0.85 -4.59 117.12 112.48 2dfs n MET 51 Ca 0.03 -0.14 -0.13 0.00 0.00 0.00 0.00 57.70 57.45 2dfs n MET 51 Cb 0.26 -0.62 -0.01 0.00 0.00 0.00 0.00 33.22 32.85 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 0.02 1.30 -4.09 3.17 6.09 0.04 -3.44 117.51 120.59 2dfs h ILE 52 Ca 0.00 -1.82 -0.54 0.00 -1.37 0.00 0.00 64.86 61.13 2dfs h ILE 52 Cb 0.01 1.76 0.13 0.00 0.47 0.00 0.00 36.82 39.19 2dfs h ILE 52 CO 0.00 0.58 0.51 0.54 -3.07 0.00 0.00 178.15 176.71 2dfs s ASN 53 N -6.97 5.02 0.00 2.19 2.20 -1.13 -2.66 114.94 113.60 2dfs s ASN 53 Ca -0.09 2.54 0.00 0.00 -0.94 0.00 0.00 52.86 54.37 2dfs s ASN 53 Cb 0.10 -2.61 0.00 0.00 -2.00 0.00 0.00 41.25 36.74 2dfs s ASN 53 CO 0.87 -1.72 0.00 1.21 -2.94 0.00 0.00 177.10 174.53 2dfs n GLU 54 N -1.57 0.00 -0.02 3.55 0.00 -1.26 -4.74 120.64 116.61 2dfs n GLU 54 Ca 0.14 0.00 0.01 0.00 0.00 0.00 0.00 57.16 57.30 2dfs n GLU 54 Cb 0.48 0.00 -0.07 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 0.26 0.00 6.31 3.14 -1.26 -4.56 118.33 122.22 2dfs n VAL 55 Ca 0.00 -0.28 0.00 0.00 -2.96 0.00 0.00 64.34 61.10 2dfs n VAL 55 Cb 0.00 -0.20 0.00 0.00 -1.06 0.00 0.00 33.84 32.58 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 -2.04 0.00 0.27 6.55 2.03 -1.26 -3.61 116.55 118.49 2dfs n ASP 56 Ca -0.07 0.53 0.15 0.00 0.52 0.00 0.00 54.79 55.91 2dfs n ASP 56 Cb 0.48 -0.43 0.71 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.09 -0.70 -1.67 0.00 -1.89 -0.34 119.26 113.75 2dfs h ALA 57 Ca 0.00 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 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 0.12 0.35 0.22 0.00 0.00 0.00 179.25 179.94 2dfs h ASP 58 N 0.00 0.90 0.83 0.00 3.58 -1.71 -3.03 116.42 117.00 2dfs h ASP 58 Ca -0.00 -0.12 -0.18 0.00 0.42 0.00 0.00 57.03 57.15 2dfs h ASP 58 Cb 0.45 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 41.24 2dfs h ASP 58 CO 0.01 0.77 -0.85 1.23 -2.88 0.00 0.00 179.24 177.53 2dfs h GLY 59 N 0.97 0.01 -3.80 -0.78 0.00 -1.37 -3.47 103.07 94.63 2dfs h GLY 59 Ca 0.24 -0.02 -0.53 0.00 0.00 0.00 0.00 47.33 47.03 2dfs h GLY 59 CO -0.03 0.01 0.69 -1.31 0.00 0.00 0.00 176.54 175.90 2dfs s ASN 60 N -6.77 6.48 0.09 0.19 0.01 -0.23 -4.96 114.94 109.75 2dfs s ASN 60 Ca -0.00 2.83 0.18 0.00 -0.71 0.00 0.00 52.86 55.16 2dfs s ASN 60 Cb 0.11 -2.66 -0.11 0.00 0.41 0.00 0.00 41.25 39.01 2dfs s ASN 60 CO 0.80 -0.75 0.87 0.61 -1.51 0.00 0.00 177.10 177.11 2dfs n GLY 61 N 0.64 -1.25 3.11 0.66 0.00 -1.26 -4.82 105.19 102.26 2dfs n GLY 61 Ca 0.01 -0.15 -0.09 0.00 0.00 0.00 0.00 46.02 45.79 2dfs n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2dfs s THR 62 N -3.02 0.14 -0.05 2.61 -4.23 -1.26 -2.12 115.64 107.70 2dfs s THR 62 Ca -0.02 -1.12 0.04 0.00 -1.18 0.00 0.00 61.69 59.41 2dfs s THR 62 Cb 0.09 -0.88 -0.00 0.00 1.34 0.00 0.00 72.50 73.04 2dfs s THR 62 CO 0.81 -0.62 -0.16 0.27 -0.54 0.00 0.00 174.62 174.38 2dfs s ILE 63 N -2.60 1.39 0.61 2.99 -4.36 0.10 -4.85 121.20 114.47 2dfs s ILE 63 Ca -0.05 -0.68 -0.08 0.00 -0.26 0.00 0.00 60.65 59.58 2dfs s ILE 63 Cb -0.01 -1.20 -0.00 0.00 1.25 0.00 0.00 42.46 42.49 2dfs s ILE 63 CO -0.05 0.40 0.95 -0.62 0.24 0.00 0.00 174.94 175.87 2dfs s ASP 64 N 0.11 5.76 0.17 4.36 2.15 -1.26 -1.04 116.67 126.93 2dfs s ASP 64 Ca -0.05 0.96 -0.13 0.00 0.43 0.00 0.00 52.55 53.76 2dfs s ASP 64 Cb -0.12 -1.97 0.08 0.00 -0.30 0.00 0.00 42.92 40.61 2dfs s ASP 64 CO 0.02 -1.02 1.80 0.15 -0.17 0.00 0.00 175.17 175.95 2dfs h PHE 65 N -0.25 0.77 -0.85 -5.34 3.57 -2.00 -1.36 116.94 111.48 2dfs h PHE 65 Ca -0.45 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 61.20 2dfs h PHE 65 Cb 1.24 -0.25 -0.10 0.00 2.79 0.00 0.00 35.95 39.62 2dfs h PHE 65 CO 0.53 0.55 0.41 -1.00 -2.23 0.00 0.00 178.31 176.56 2dfs h PRO 66 N 0.78 0.52 -0.07 6.41 0.13 -1.96 -0.83 132.00 136.98 2dfs h PRO 66 Ca 0.20 -0.03 -0.00 0.00 -0.87 0.00 0.00 66.00 65.30 2dfs h PRO 66 Cb 0.02 -0.12 -0.00 0.00 0.13 0.00 0.00 31.00 31.03 2dfs h PRO 66 CO -0.04 0.34 0.03 1.49 -0.23 0.00 0.00 178.00 179.60 2dfs h GLU 67 N 0.54 0.09 -0.63 0.86 4.22 -1.82 -2.03 114.58 115.80 2dfs h GLU 67 Ca 0.49 -0.01 -0.03 0.00 0.08 0.00 0.00 59.36 59.89 2dfs h GLU 67 Cb 0.77 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.98 2dfs h GLU 67 CO -0.42 0.17 0.29 0.35 -2.18 0.00 0.00 179.01 177.22 2dfs h PHE 68 N -0.00 0.93 -0.76 0.92 3.57 -1.10 -0.23 116.94 120.27 2dfs h PHE 68 Ca 0.02 -0.05 -0.00 0.00 3.53 0.00 0.00 57.97 61.47 2dfs h PHE 68 Cb 0.10 -0.29 -0.04 0.00 2.79 0.00 0.00 35.95 38.52 2dfs h PHE 68 CO -0.04 0.72 0.46 1.25 -2.23 0.00 0.00 178.31 178.47 2dfs h LEU 69 N 0.88 0.90 -0.42 0.59 6.46 -1.14 0.05 115.31 122.63 2dfs h LEU 69 Ca 0.22 -0.05 -0.03 0.00 -0.12 0.00 0.00 57.88 57.90 2dfs h LEU 69 Cb 0.15 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 39.83 2dfs h LEU 69 CO -0.02 0.69 0.14 0.74 -0.62 0.00 0.00 178.44 179.36 2dfs h THR 70 N 1.04 1.21 -0.51 1.05 2.02 -0.54 -1.91 112.91 115.28 2dfs h THR 70 Ca 0.27 -0.69 -0.01 0.00 0.77 0.00 0.00 66.41 66.75 2dfs h THR 70 Cb -0.05 0.88 -0.02 0.00 -1.74 0.00 0.00 68.15 67.22 2dfs h THR 70 CO -0.05 0.25 0.27 0.24 0.37 0.00 0.00 175.52 176.60 2dfs h MET 71 N 0.53 0.71 -0.70 6.66 2.86 -0.54 -2.06 114.93 122.40 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 0.24 -0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.73 2dfs h MET 71 CO -0.01 0.56 0.46 1.98 1.06 0.00 0.00 176.91 180.96 2dfs h MET 72 N 0.67 0.92 -0.63 1.72 -1.53 -1.00 -1.73 114.93 113.36 2dfs h MET 72 Ca 0.18 -0.06 -0.02 0.00 -3.44 0.00 0.00 59.70 56.36 2dfs h MET 72 Cb 0.06 -0.21 -0.03 0.00 -0.55 0.00 0.00 31.60 30.88 2dfs h MET 72 CO -0.03 0.62 0.32 0.00 0.14 0.00 0.00 176.91 177.96 2dfs h ALA 73 N 1.25 0.81 -0.54 0.39 0.00 -1.16 -0.51 119.26 119.50 2dfs h ALA 73 Ca 0.25 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 2dfs h ALA 73 Cb -0.10 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 2dfs h ALA 73 CO -0.05 0.34 0.23 -0.09 0.00 0.00 0.00 179.25 179.68 2dfs h ARG 74 N 0.86 0.80 -0.58 0.00 2.43 -1.18 -3.28 114.38 113.43 2dfs h ARG 74 Ca 0.22 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.25 2dfs h ARG 74 Cb 0.08 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 29.50 2dfs h ARG 74 CO -0.03 0.69 0.00 1.63 -1.51 0.00 0.00 179.97 180.74 2dfs n LYS 75 N -4.53 2.76 -0.25 0.20 4.76 -0.67 -4.78 118.16 115.65 2dfs n LYS 75 Ca 0.02 -2.42 -0.01 0.00 -2.87 0.00 0.00 58.31 53.04 2dfs n LYS 75 Cb 0.15 -1.45 0.06 0.00 -1.84 0.00 0.00 35.03 31.94 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 3.45 -0.05 -0.74 1.97 4.05 -1.15 -1.62 114.93 120.85 2dfs h MET 76 Ca 0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 2dfs h MET 76 Cb 0.89 0.01 -0.06 0.00 -0.80 0.00 0.00 31.60 31.64 2dfs h MET 76 CO 0.00 -0.03 0.43 0.87 0.23 0.00 0.00 176.91 178.41 2dfs h LYS 77 N -0.05 0.74 -0.34 0.39 1.57 -1.87 0.20 116.57 117.21 2dfs h LYS 77 Ca 0.32 -0.04 -0.16 0.00 -1.87 0.00 0.00 60.65 58.89 2dfs h LYS 77 Cb 0.55 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.69 2dfs h LYS 77 CO -0.75 0.49 -0.42 -0.44 -0.57 0.00 0.00 179.45 177.76 2dfs h ASP 78 N 0.77 0.96 -0.31 0.86 5.19 -1.72 -2.28 116.42 119.89 2dfs h ASP 78 Ca 0.34 -0.49 -0.05 0.00 -0.62 0.00 0.00 57.03 56.21 2dfs h ASP 78 Cb 0.22 -0.27 -0.01 0.00 0.18 0.00 0.00 39.33 39.45 2dfs h ASP 78 CO -0.20 1.26 -0.01 0.74 -3.12 0.00 0.00 179.24 177.90 2dfs h THR 79 N 0.69 1.26 -0.41 0.35 2.02 -0.50 -2.94 112.91 113.39 2dfs h THR 79 Ca 0.05 -0.98 -0.04 0.00 0.77 0.00 0.00 66.41 66.20 2dfs h THR 79 Cb 1.01 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.69 2dfs h THR 79 CO 0.10 0.32 0.09 0.44 0.37 0.00 0.00 175.52 176.84 2dfs h ASP 80 N 0.35 0.56 -0.52 4.18 3.32 -0.69 -2.90 116.42 120.72 2dfs h ASP 80 Ca 0.09 -0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.12 2dfs h ASP 80 Cb 0.47 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.84 2dfs h ASP 80 CO 0.02 0.57 0.35 -1.28 -1.72 0.00 0.00 179.24 177.18 2dfs h SER 81 N 0.59 0.37 -0.30 6.45 0.87 -1.22 -2.01 113.55 118.31 2dfs h SER 81 Ca 0.14 0.00 -0.20 0.00 -1.23 0.00 0.00 61.79 60.50 2dfs h SER 81 Cb 0.24 -0.08 -0.09 0.00 -0.44 0.00 0.00 62.40 62.04 2dfs h SER 81 CO -0.00 0.24 0.26 -0.62 -0.53 0.00 0.00 176.83 176.18 2dfs n GLU 82 N -4.47 1.50 0.00 2.24 -0.58 -1.10 -3.07 120.64 115.16 2dfs n GLU 82 Ca 0.08 -0.98 0.00 0.00 -0.42 0.00 0.00 57.16 55.84 2dfs n GLU 82 Cb 0.29 -1.38 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 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 0.75 0.06 -0.05 3.49 0.28 -0.75 -2.34 120.64 122.07 2dfs n GLU 83 Ca 0.19 -0.52 -0.13 0.00 -0.16 0.00 0.00 57.16 56.54 2dfs n GLU 83 Cb 0.56 -0.51 -0.07 0.00 1.43 0.00 0.00 31.44 32.85 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 0.00 0.33 -6.81 3.44 4.22 -1.68 -3.46 114.58 110.62 2dfs h GLU 84 Ca 0.00 -0.15 -0.52 0.00 0.08 0.00 0.00 59.36 58.76 2dfs h GLU 84 Cb 0.99 -0.01 0.06 0.00 0.50 0.00 0.00 28.75 30.29 2dfs h GLU 84 CO 0.00 0.67 0.69 0.96 -2.18 0.00 0.00 179.01 179.15 2dfs s ILE 85 N -4.49 2.73 0.00 2.32 -4.36 -1.26 -4.88 121.20 111.25 2dfs s ILE 85 Ca -0.14 0.67 0.00 0.00 -0.26 0.00 0.00 60.65 60.92 2dfs s ILE 85 Cb 0.05 -3.43 0.00 0.00 1.25 0.00 0.00 42.46 40.34 2dfs s ILE 85 CO 0.74 0.13 0.00 -2.11 0.24 0.00 0.00 174.94 173.94 2dfs n ARG 86 N 1.56 3.45 -4.39 0.37 1.85 -1.26 -4.91 116.66 113.34 2dfs n ARG 86 Ca 0.03 0.00 -0.27 0.00 -1.00 0.00 0.00 57.85 56.61 2dfs n ARG 86 Cb 0.41 -0.29 -0.12 0.00 -1.05 0.00 0.00 32.46 31.41 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 0.00 1.41 0.21 2.89 1.03 -1.26 -4.73 118.70 118.24 2dfs s GLU 87 Ca 0.00 -1.41 -0.23 0.00 0.03 0.00 0.00 54.97 53.36 2dfs s GLU 87 Cb 0.00 -1.77 0.05 0.00 -0.80 0.00 0.00 34.13 31.61 2dfs s GLU 87 CO 0.00 0.40 0.86 0.00 -1.33 0.00 0.00 175.26 175.19 2dfs s ALA 88 N -1.43 -1.46 0.12 -0.84 0.00 -1.26 -5.17 121.76 111.72 2dfs s ALA 88 Ca 0.16 -0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.08 2dfs s ALA 88 Cb -0.09 0.73 -0.04 0.00 0.00 0.00 0.00 23.12 23.72 2dfs s ALA 88 CO 0.08 -1.04 -0.12 -0.59 0.00 0.00 0.00 175.76 174.08 2dfs s PHE 89 N -3.47 1.26 0.00 0.00 -0.71 -1.26 -5.12 117.98 108.68 2dfs s PHE 89 Ca 0.12 -0.63 0.00 0.00 -1.04 0.00 0.00 56.93 55.38 2dfs s PHE 89 Cb -0.03 -0.66 0.00 0.00 -1.21 0.00 0.00 43.02 41.12 2dfs s PHE 89 CO 0.05 0.09 0.00 0.54 -1.34 0.00 0.00 175.22 174.55 2dfs n ARG 90 N 0.39 0.00 0.00 1.99 1.74 -1.26 -5.17 116.66 114.35 2dfs n ARG 90 Ca -0.15 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 56.93 2dfs n ARG 90 Cb 0.58 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.02 2dfs n ARG 90 CO 0.00 0.00 0.00 1.55 -1.52 0.00 0.00 177.63 177.66 2dfs n VAL 91 N 0.00 0.00 -3.22 1.55 3.14 -1.26 -5.08 118.33 113.46 2dfs n VAL 91 Ca 0.00 0.00 -0.16 0.00 -2.96 0.00 0.00 64.34 61.22 2dfs n VAL 91 Cb 0.00 0.00 0.06 0.00 -1.06 0.00 0.00 33.84 32.84 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 3.70 -1.95 0.00 1.45 3.01 -1.26 -4.88 117.46 117.54 2dfs n PHE 92 Ca 0.00 0.71 0.00 0.00 1.01 0.00 0.00 57.45 59.17 2dfs n PHE 92 Cb 0.00 -3.94 0.00 0.00 -0.01 0.00 0.00 39.48 35.53 2dfs n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 2dfs n ASP 93 N -1.88 0.00 -0.01 4.37 2.03 -1.26 -4.52 116.55 115.28 2dfs n ASP 93 Ca -0.04 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.34 2dfs n ASP 93 Cb 0.56 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 40.85 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 0.00 0.69 0.00 -0.67 5.02 -1.26 -4.51 118.16 117.43 2dfs n LYS 94 Ca 0.00 -0.12 0.11 0.00 -2.02 0.00 0.00 58.31 56.28 2dfs n LYS 94 Cb 0.00 -1.32 -0.11 0.00 -0.02 0.00 0.00 35.03 33.57 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 -1.92 0.46 -0.48 4.39 9.92 -1.26 -4.99 116.55 122.67 2dfs n ASP 95 Ca -0.02 -0.35 0.00 0.00 -0.53 0.00 0.00 54.79 53.89 2dfs n ASP 95 Cb 0.36 1.40 0.00 0.00 -0.64 0.00 0.00 41.12 42.24 2dfs n ASP 95 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2dfs n GLY 96 N 1.36 0.96 0.22 0.44 0.00 -1.26 -4.98 105.19 101.93 2dfs n GLY 96 Ca -0.00 -0.65 -0.03 0.00 0.00 0.00 0.00 46.02 45.33 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 0.43 0.00 1.61 2.35 -1.94 -3.47 115.58 114.56 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 0.96 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 39.21 2dfs h ASN 97 CO 0.00 0.73 0.00 0.61 -1.65 0.00 0.00 177.43 177.12 2dfs n GLY 98 N -0.28 0.74 3.17 2.83 0.00 -1.26 -5.06 105.19 105.33 2dfs n GLY 98 Ca -0.01 0.00 -0.24 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 -2.50 1.51 0.07 1.61 2.02 -1.26 -1.84 117.35 116.96 2dfs s TYR 99 Ca 0.00 -0.31 0.07 0.00 -0.37 0.00 0.00 57.07 56.46 2dfs s TYR 99 Cb 0.00 -0.94 -0.03 0.00 -0.40 0.00 0.00 41.96 40.59 2dfs s TYR 99 CO 0.00 0.01 -0.18 0.96 -1.57 0.00 0.00 175.55 174.76 2dfs s ILE 100 N -0.54 1.49 0.65 2.71 -4.36 -0.49 -4.74 121.20 115.92 2dfs s ILE 100 Ca 0.06 -1.30 -0.17 0.00 -0.26 0.00 0.00 60.65 58.98 2dfs s ILE 100 Cb -0.07 -1.34 -0.01 0.00 1.25 0.00 0.00 42.46 42.29 2dfs s ILE 100 CO 0.00 0.00 1.18 -0.55 0.24 0.00 0.00 174.94 175.82 2dfs s SER 101 N -1.52 4.89 0.47 4.36 0.15 -1.26 -0.16 113.70 120.62 2dfs s SER 101 Ca 0.04 2.28 0.15 0.00 0.70 0.00 0.00 55.95 59.13 2dfs s SER 101 Cb -0.09 -2.58 1.12 0.00 -1.71 0.00 0.00 66.02 62.75 2dfs s SER 101 CO 0.03 -1.79 2.04 0.00 1.20 0.00 0.00 173.24 174.71 2dfs h ALA 102 N 0.35 2.04 -0.31 5.45 0.00 -1.68 -1.89 119.26 123.21 2dfs h ALA 102 Ca -0.49 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.41 2dfs h ALA 102 Cb 1.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 2dfs h ALA 102 CO 0.53 -0.13 0.18 0.00 0.00 0.00 0.00 179.25 179.84 2dfs h ALA 103 N 1.78 0.39 -0.28 0.00 0.00 -1.93 -1.55 119.26 117.68 2dfs h ALA 103 Ca 0.19 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.03 2dfs h ALA 103 Cb 0.39 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 2dfs h ALA 103 CO -0.04 -0.10 0.13 0.93 0.00 0.00 0.00 179.25 180.17 2dfs h GLU 104 N 0.39 0.41 -0.62 0.00 5.08 -1.84 -1.03 114.58 116.96 2dfs h GLU 104 Ca 0.11 -0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.44 2dfs h GLU 104 Cb 0.02 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.16 2dfs h GLU 104 CO -0.02 0.41 0.37 1.25 -1.00 0.00 0.00 179.01 180.01 2dfs h LEU 105 N 0.31 0.58 -0.40 1.33 5.85 -1.30 0.06 115.31 121.74 2dfs h LEU 105 Ca 0.09 0.01 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 2dfs h LEU 105 Cb 0.14 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2dfs h LEU 105 CO -0.01 0.39 0.23 -0.09 -0.34 0.00 0.00 178.44 178.63 2dfs h ARG 106 N 0.71 0.55 -0.84 1.25 2.43 -1.12 -2.41 114.38 114.95 2dfs h ARG 106 Ca 0.26 -0.06 0.03 0.00 -0.81 0.00 0.00 59.98 59.40 2dfs h ARG 106 Cb 0.08 -0.11 -0.05 0.00 -0.42 0.00 0.00 29.97 29.47 2dfs h ARG 106 CO -0.13 0.43 0.54 1.25 -1.51 0.00 0.00 179.97 180.55 2dfs h HIS 107 N 0.53 1.02 -0.53 2.20 2.76 -0.37 0.96 115.15 121.72 2dfs h HIS 107 Ca 0.14 0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.33 2dfs h HIS 107 Cb 0.03 -0.34 -0.03 0.00 1.55 0.00 0.00 27.41 28.62 2dfs h HIS 107 CO -0.03 0.60 0.31 0.28 -1.30 0.00 0.00 177.93 177.79 2dfs h VAL 108 N 1.07 1.17 0.13 5.26 2.07 -0.90 -2.25 116.25 122.81 2dfs h VAL 108 Ca 0.33 -0.39 -0.30 0.00 0.82 0.00 0.00 66.70 67.16 2dfs h VAL 108 Cb -0.03 0.47 0.03 0.00 -1.52 0.00 0.00 31.29 30.25 2dfs h VAL 108 CO -0.10 0.17 -1.27 0.24 0.02 0.00 0.00 177.57 176.63 2dfs h MET 109 N 0.70 0.59 0.00 1.57 2.07 -0.94 -3.07 114.93 115.86 2dfs h MET 109 Ca 0.19 -0.82 0.00 0.00 -2.07 0.00 0.00 59.70 57.00 2dfs h MET 109 Cb 0.01 0.27 0.00 0.00 -1.87 0.00 0.00 31.60 30.01 2dfs h MET 109 CO -0.03 1.37 -1.44 0.25 1.07 0.00 0.00 176.91 178.12 2dfs n THR 110 N -3.77 0.16 0.31 2.22 -2.24 0.29 -1.08 114.28 110.17 2dfs n THR 110 Ca -0.14 -0.39 0.03 0.00 -2.27 0.00 0.00 64.05 61.29 2dfs n THR 110 Cb 1.00 0.10 -0.04 0.00 -2.10 0.00 0.00 70.33 69.29 2dfs n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2dfs n ASN 111 N -2.17 0.49 -4.65 3.42 3.02 -0.85 -4.47 115.26 110.05 2dfs n ASN 111 Ca -0.01 -0.63 -0.29 0.00 -0.03 0.00 0.00 54.58 53.62 2dfs n ASN 111 Cb 0.50 1.02 -0.10 0.00 -0.61 0.00 0.00 39.78 40.59 2dfs n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dfs s LEU 112 N -2.39 2.74 0.00 3.41 1.43 -1.16 -4.95 118.68 117.75 2dfs s LEU 112 Ca 0.02 -1.43 0.00 0.00 -1.03 0.00 0.00 54.13 51.69 2dfs s LEU 112 Cb 0.05 -0.85 0.00 0.00 0.03 0.00 0.00 46.19 45.42 2dfs s LEU 112 CO 0.29 -0.54 0.00 0.61 0.23 0.00 0.00 176.35 176.94 2dfs n GLY 113 N -1.03 2.54 3.46 -3.19 0.00 -1.26 -3.16 105.19 102.55 2dfs n GLY 113 Ca -0.08 0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.58 2dfs n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dfs s GLU 114 N 0.00 3.59 0.07 1.61 2.02 -1.26 -5.00 118.70 119.72 2dfs s GLU 114 Ca 0.00 -1.68 -0.33 0.00 0.02 0.00 0.00 54.97 52.98 2dfs s GLU 114 Cb 0.00 -4.95 -0.12 0.00 0.10 0.00 0.00 34.13 29.16 2dfs s GLU 114 CO 0.00 -1.82 1.76 1.63 0.02 0.00 0.00 175.26 176.85 2dfs n LYS 115 N 6.81 2.37 -2.71 1.61 5.02 -1.19 -4.98 118.16 125.09 2dfs n LYS 115 Ca 0.24 0.86 -0.26 0.00 -2.02 0.00 0.00 58.31 57.13 2dfs n LYS 115 Cb 0.49 -2.70 0.00 0.00 -0.02 0.00 0.00 35.03 32.81 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 2.54 3.60 0.58 -0.35 1.43 -0.24 -4.97 118.68 121.27 2dfs s LEU 116 Ca 0.84 0.78 -0.08 0.00 -1.03 0.00 0.00 54.13 54.65 2dfs s LEU 116 Cb -0.62 -3.70 -0.01 0.00 0.03 0.00 0.00 46.19 41.89 2dfs s LEU 116 CO 0.42 -0.64 0.92 0.42 0.23 0.00 0.00 176.35 177.71 2dfs s THR 117 N -2.72 4.22 0.22 5.49 -4.23 -1.26 -4.27 115.64 113.08 2dfs s THR 117 Ca 0.48 0.32 -0.09 0.00 -1.18 0.00 0.00 61.69 61.22 2dfs s THR 117 Cb -0.10 -3.67 0.17 0.00 1.34 0.00 0.00 72.50 70.24 2dfs s THR 117 CO 0.43 -0.75 1.85 0.44 -0.54 0.00 0.00 174.62 176.06 2dfs h ASP 118 N -0.16 0.78 -0.93 3.99 3.32 -1.98 -2.40 116.42 119.04 2dfs h ASP 118 Ca -0.45 0.00 0.07 0.00 0.02 0.00 0.00 57.03 56.66 2dfs h ASP 118 Cb 1.23 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 40.55 2dfs h ASP 118 CO 0.62 0.53 0.60 1.05 -1.72 0.00 0.00 179.24 180.32 2dfs h GLU 119 N 0.92 1.03 -0.53 3.56 4.11 -1.98 0.26 114.58 121.95 2dfs h GLU 119 Ca 0.31 -0.06 -0.01 0.00 0.07 0.00 0.00 59.36 59.67 2dfs h GLU 119 Cb 0.05 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.04 2dfs h GLU 119 CO -0.12 0.68 0.29 0.93 0.07 0.00 0.00 179.01 180.86 2dfs h GLU 120 N 1.06 0.74 -0.48 1.06 5.08 -1.87 -0.47 114.58 119.69 2dfs h GLU 120 Ca 0.40 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.63 2dfs h GLU 120 Cb 0.20 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2dfs h GLU 120 CO -0.15 0.57 0.14 0.28 -1.00 0.00 0.00 179.01 178.85 2dfs h VAL 121 N 0.71 1.23 -0.60 3.13 2.07 -0.81 -1.02 116.25 120.96 2dfs h VAL 121 Ca 0.19 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.89 2dfs h VAL 121 Cb 0.05 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.62 2dfs h VAL 121 CO -0.03 0.28 0.22 0.44 0.02 0.00 0.00 177.57 178.50 2dfs h ASP 122 N 0.64 0.81 -0.49 0.57 3.32 -0.48 -1.28 116.42 119.52 2dfs h ASP 122 Ca 0.15 -0.11 -0.02 0.00 0.02 0.00 0.00 57.03 57.07 2dfs h ASP 122 Cb 0.28 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2dfs h ASP 122 CO -0.00 0.74 0.21 -0.08 -1.72 0.00 0.00 179.24 178.38 2dfs h GLU 123 N 0.86 0.72 0.00 3.56 4.81 -0.93 -3.19 114.58 120.40 2dfs h GLU 123 Ca 0.20 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 2dfs h GLU 123 Cb 0.20 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2dfs h GLU 123 CO -0.02 0.62 -0.18 1.98 -0.73 0.00 0.00 179.01 180.69 2dfs h MET 124 N 0.64 0.00 -0.10 1.92 4.05 -0.67 -2.49 114.93 118.28 2dfs h MET 124 Ca 0.16 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.58 2dfs h MET 124 Cb 0.16 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 30.96 2dfs h MET 124 CO -0.02 0.18 0.00 0.44 0.23 0.00 0.00 176.91 177.75 2dfs n ILE 125 N -3.85 0.13 0.07 1.77 -5.35 -0.53 -2.94 119.36 108.65 2dfs n ILE 125 Ca -0.02 -0.24 -0.06 0.00 -0.27 0.00 0.00 62.75 62.16 2dfs n ILE 125 Cb 0.28 0.20 0.11 0.00 -1.74 0.00 0.00 39.64 38.49 2dfs n ILE 125 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 2dfs h ARG 126 N 1.63 0.30 -0.35 6.28 3.08 -1.51 -3.33 114.38 120.49 2dfs h ARG 126 Ca 0.00 -0.20 0.00 0.00 0.07 0.00 0.00 59.98 59.85 2dfs h ARG 126 Cb 0.35 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.43 2dfs h ARG 126 CO 0.00 0.80 0.00 -0.85 -1.07 0.00 0.00 179.97 178.85 2dfs n GLU 127 N -3.90 3.25 -4.55 0.04 0.00 -1.15 -4.93 120.64 109.40 2dfs n GLU 127 Ca -0.03 -2.76 -0.32 0.00 0.00 0.00 0.00 57.16 54.05 2dfs n GLU 127 Cb 0.61 -1.81 -0.16 0.00 0.00 0.00 0.00 31.44 30.07 2dfs n GLU 127 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2dfs s ALA 128 N -2.44 2.22 0.10 -1.84 0.00 -1.21 -5.01 121.76 113.58 2dfs s ALA 128 Ca 0.41 -1.09 -0.31 0.00 0.00 0.00 0.00 51.96 50.97 2dfs s ALA 128 Cb 0.31 -1.02 -0.10 0.00 0.00 0.00 0.00 23.12 22.31 2dfs s ALA 128 CO 0.12 -0.09 1.87 -0.25 0.00 0.00 0.00 175.76 177.41 2dfs n ASP 129 N 4.19 4.07 -4.04 0.00 8.00 -1.26 -4.91 116.55 122.59 2dfs n ASP 129 Ca -0.20 0.97 -0.25 0.00 0.71 0.00 0.00 54.79 56.02 2dfs n ASP 129 Cb 0.51 -1.54 -0.17 0.00 -0.02 0.00 0.00 41.12 39.91 2dfs n ASP 129 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2dfs s ILE 130 N 3.09 1.20 0.95 0.53 1.10 -1.26 -4.68 121.20 122.12 2dfs s ILE 130 Ca 0.83 -0.53 -0.16 0.00 -0.51 0.00 0.00 60.65 60.29 2dfs s ILE 130 Cb -0.47 -1.09 0.22 0.00 0.15 0.00 0.00 42.46 41.27 2dfs s ILE 130 CO 0.38 0.37 1.12 -0.90 -2.11 0.00 0.00 174.94 173.80 2dfs n ASP 131 N 3.73 -0.60 0.18 4.50 5.68 -1.01 -4.95 116.55 124.07 2dfs n ASP 131 Ca -0.22 -1.32 0.04 0.00 -0.50 0.00 0.00 54.79 52.79 2dfs n ASP 131 Cb 0.52 -0.90 0.30 0.00 -1.14 0.00 0.00 41.12 39.89 2dfs n ASP 131 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2dfs h GLY 132 N -1.87 0.00 1.02 6.12 0.00 -2.02 -3.13 103.07 103.19 2dfs h GLY 132 Ca -0.38 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 2dfs h GLY 132 CO 0.26 0.00 0.16 -0.55 0.00 0.00 0.00 176.54 176.41 2dfs h ASP 133 N 0.00 0.91 0.00 0.19 3.32 -2.06 -3.47 116.42 115.31 2dfs h ASP 133 Ca -0.00 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 56.82 2dfs h ASP 133 Cb 0.94 -0.24 0.00 0.00 0.22 0.00 0.00 39.33 40.25 2dfs h ASP 133 CO 0.06 0.90 0.00 0.61 -1.72 0.00 0.00 179.24 179.08 2dfs n GLY 134 N -0.66 1.73 3.80 2.75 0.00 -1.18 -5.07 105.19 106.56 2dfs n GLY 134 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.07 2.65 -0.05 1.61 -0.21 -1.26 -1.75 119.66 120.57 2dfs s GLN 135 Ca 0.00 -1.30 0.00 0.00 0.02 0.00 0.00 55.36 54.08 2dfs s GLN 135 Cb 0.00 -2.40 0.02 0.00 1.00 0.00 0.00 33.01 31.63 2dfs s GLN 135 CO 0.00 0.20 -0.02 0.54 -2.12 0.00 0.00 175.29 173.89 2dfs s VAL 136 N -2.29 0.41 -0.30 1.09 0.11 0.77 -2.40 120.40 117.79 2dfs s VAL 136 Ca 0.37 0.01 -0.28 0.00 -2.93 0.00 0.00 61.98 59.15 2dfs s VAL 136 Cb -0.06 -0.50 -0.06 0.00 -1.53 0.00 0.00 36.38 34.23 2dfs s VAL 136 CO 0.25 0.22 2.28 -3.20 -3.33 0.00 0.00 175.10 171.32 2dfs n ASN 137 N 4.49 2.89 0.16 3.54 2.85 -1.26 -1.40 115.26 126.54 2dfs n ASN 137 Ca -0.18 0.05 0.12 0.00 -0.11 0.00 0.00 54.58 54.46 2dfs n ASN 137 Cb 0.50 -1.53 0.28 0.00 1.24 0.00 0.00 39.78 40.27 2dfs n ASN 137 CO 0.00 0.00 0.00 0.10 -2.11 0.00 0.00 177.26 175.25 2dfs h TYR 138 N 15.89 0.00 -0.23 1.20 -0.00 -1.73 -1.71 116.97 130.38 2dfs h TYR 138 Ca -0.35 0.00 -0.09 0.00 0.00 0.00 0.00 58.73 58.29 2dfs h TYR 138 Cb 1.26 0.00 -0.00 0.00 0.00 0.00 0.00 36.73 37.98 2dfs h TYR 138 CO 0.95 0.00 -0.21 1.49 -0.00 0.00 0.00 178.16 180.39 2dfs h GLU 139 N 0.00 0.55 -0.55 0.10 4.81 -1.90 -1.49 114.58 116.10 2dfs h GLU 139 Ca 0.00 -0.28 -0.02 0.00 -0.13 0.00 0.00 59.36 58.93 2dfs h GLU 139 Cb 0.88 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 30.24 2dfs h GLU 139 CO 0.00 0.86 0.26 1.49 -0.73 0.00 0.00 179.01 180.90 2dfs h GLU 140 N 0.24 0.79 -0.84 1.92 4.57 -1.91 -2.47 114.58 116.89 2dfs h GLU 140 Ca 0.04 -0.12 0.01 0.00 -1.18 0.00 0.00 59.36 58.11 2dfs h GLU 140 Cb 0.75 -0.14 -0.04 0.00 -0.16 0.00 0.00 28.75 29.16 2dfs h GLU 140 CO 0.05 0.65 0.56 0.35 -1.18 0.00 0.00 179.01 179.44 2dfs h PHE 141 N 0.74 1.06 -0.54 0.92 3.57 -1.31 0.55 116.94 121.92 2dfs h PHE 141 Ca 0.19 0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.64 2dfs h PHE 141 Cb 0.12 -0.36 -0.02 0.00 2.79 0.00 0.00 35.95 38.48 2dfs h PHE 141 CO -0.00 0.67 0.02 -0.39 -2.23 0.00 0.00 178.31 176.37 2dfs h VAL 142 N 1.14 1.25 -0.39 1.41 -1.51 -1.21 -1.81 116.25 115.13 2dfs h VAL 142 Ca 0.31 -1.04 -0.02 0.00 -1.23 0.00 0.00 66.70 64.72 2dfs h VAL 142 Cb -0.13 0.81 -0.02 0.00 -2.13 0.00 0.00 31.29 29.82 2dfs h VAL 142 CO -0.07 0.37 0.18 1.56 -1.23 0.00 0.00 177.57 178.38 2dfs h GLN 143 N 0.84 0.57 -0.54 5.19 4.20 -0.92 -2.55 115.11 121.91 2dfs h GLN 143 Ca 0.16 -0.09 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 2dfs h GLN 143 Cb 0.47 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.12 2dfs h GLN 143 CO 0.02 0.51 0.27 0.52 -0.67 0.00 0.00 178.83 179.49 2dfs h MET 144 N 0.49 0.76 -0.54 1.46 2.86 -0.84 0.53 114.93 119.65 2dfs h MET 144 Ca 0.13 -0.10 -0.06 0.00 -2.06 0.00 0.00 59.70 57.61 2dfs h MET 144 Cb 0.14 -0.14 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2dfs h MET 144 CO -0.01 0.61 0.09 0.00 1.06 0.00 0.00 176.91 178.66 2dfs h MET 145 N 0.72 0.86 0.00 1.72 -0.00 -1.31 -2.93 114.93 114.00 2dfs h MET 145 Ca 0.19 -0.20 -0.04 0.00 -0.00 0.00 0.00 59.70 59.64 2dfs h MET 145 Cb 0.09 -0.12 -0.01 0.00 -0.00 0.00 0.00 31.60 31.57 2dfs h MET 145 CO -0.03 0.80 -0.49 1.79 -0.00 0.00 0.00 176.91 178.98 2dfs h THR 146 N 0.82 0.27 -1.99 -0.10 1.35 -1.38 -3.47 112.91 108.41 2dfs h THR 146 Ca 0.17 -1.41 -0.63 0.00 -0.55 0.00 0.00 66.41 63.99 2dfs h THR 146 Cb 0.36 2.00 0.04 0.00 -1.73 0.00 0.00 68.15 68.82 2dfs h THR 146 CO 0.01 0.15 0.82 0.00 -0.25 0.00 0.00 175.52 176.25 2dfs n ALA 147 N -2.18 0.54 0.00 6.62 0.00 0.17 -5.04 120.51 120.62 2dfs n ALA 147 Ca 0.01 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.86 2dfs n ALA 147 Cb 0.62 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.75 2dfs n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67