#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo s ASP 2 N 0.00 6.84 -0.26 0.00 2.15 -1.26 -4.97 116.67 119.17 1dmo s ASP 2 Ca 0.00 1.01 0.12 0.00 0.43 0.00 0.00 52.55 54.11 1dmo s ASP 2 Cb 0.00 -2.27 0.63 0.00 -0.30 0.00 0.00 42.92 40.99 1dmo s ASP 2 CO 0.00 0.31 1.61 0.00 -0.17 0.00 0.00 175.17 176.92 1dmo n GLN 3 N 1.74 3.16 -4.16 4.34 3.00 -1.26 -4.91 117.38 119.30 1dmo n GLN 3 Ca -0.13 -3.03 -0.33 0.00 -0.01 0.00 0.00 57.00 53.51 1dmo n GLN 3 Cb 0.52 -2.02 -0.16 0.00 0.00 0.00 0.00 30.24 28.58 1dmo n GLN 3 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1dmo s LEU 4 N -2.98 2.08 1.07 1.08 1.02 -1.26 -5.08 118.68 114.62 1dmo s LEU 4 Ca 0.49 -0.63 -0.12 0.00 0.02 0.00 0.00 54.13 53.89 1dmo s LEU 4 Cb 0.40 -1.45 0.23 0.00 0.02 0.00 0.00 46.19 45.40 1dmo s LEU 4 CO 0.10 0.00 1.07 0.42 0.02 0.00 0.00 176.35 177.96 1dmo s THR 5 N 1.27 2.01 0.15 5.49 -4.23 -1.26 -4.78 115.64 114.29 1dmo s THR 5 Ca 0.04 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.40 1dmo s THR 5 Cb -0.13 -2.01 0.03 0.00 1.34 0.00 0.00 72.50 71.72 1dmo s THR 5 CO -0.12 -0.00 1.74 -0.33 -0.54 0.00 0.00 174.62 175.37 1dmo h GLU 6 N -2.38 0.66 -0.22 3.99 4.39 -1.99 -2.37 114.58 116.67 1dmo h GLU 6 Ca -0.54 -0.09 0.03 0.00 0.34 0.00 0.00 59.36 59.10 1dmo h GLU 6 Cb 1.31 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.81 1dmo h GLU 6 CO 0.46 0.55 0.05 0.93 -1.16 0.00 0.00 179.01 179.84 1dmo h GLU 7 N 0.61 0.14 -0.54 2.33 3.07 -1.99 0.15 114.58 118.35 1dmo h GLU 7 Ca 0.16 -0.01 0.11 0.00 -0.50 0.00 0.00 59.36 59.12 1dmo h GLU 7 Cb 0.09 -0.03 -0.10 0.00 -0.84 0.00 0.00 28.75 27.87 1dmo h GLU 7 CO -0.02 0.09 -0.14 0.37 -1.40 0.00 0.00 179.01 177.91 1dmo h GLN 8 N 0.14 -0.01 -0.21 2.33 5.75 -1.85 0.72 115.11 121.98 1dmo h GLN 8 Ca 0.10 0.00 -0.02 0.00 -0.15 0.00 0.00 58.65 58.58 1dmo h GLN 8 Cb 0.09 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1dmo h GLN 8 CO -0.12 -0.00 0.04 0.82 -2.65 0.00 0.00 178.83 176.91 1dmo h ILE 9 N -0.01 1.11 -0.27 2.39 2.04 -0.80 -0.33 117.51 121.64 1dmo h ILE 9 Ca 0.26 -0.40 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1dmo h ILE 9 Cb 0.40 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1dmo h ILE 9 CO -0.56 0.14 -0.05 0.00 0.00 0.00 0.00 178.15 177.67 1dmo h ALA 10 N 1.75 0.37 -0.03 1.87 0.00 0.31 -1.06 119.26 122.48 1dmo h ALA 10 Ca 0.07 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1dmo h ALA 10 Cb 0.14 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1dmo h ALA 10 CO -0.00 0.16 -0.37 0.93 0.00 0.00 0.00 179.25 179.97 1dmo h GLU 11 N 0.26 0.06 0.00 0.00 5.08 -0.23 -2.46 114.58 117.30 1dmo h GLU 11 Ca 0.07 -0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1dmo h GLU 11 Cb 0.52 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dmo h GLU 11 CO 0.02 0.42 -0.00 0.74 -1.00 0.00 0.00 179.01 179.19 1dmo h PHE 12 N 0.05 -0.00 -0.97 4.33 -1.00 -0.78 -2.86 116.94 115.71 1dmo h PHE 12 Ca 0.00 -0.00 0.08 0.00 2.81 0.00 0.00 57.97 60.87 1dmo h PHE 12 Cb 0.68 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.17 1dmo h PHE 12 CO 0.00 0.33 0.61 -0.22 -1.61 0.00 0.00 178.31 177.42 1dmo h LYS 13 N -0.34 1.03 -0.23 1.51 3.64 -1.02 0.74 116.57 121.91 1dmo h LYS 13 Ca -0.00 -0.06 0.06 0.00 -1.27 0.00 0.00 60.65 59.38 1dmo h LYS 13 Cb 0.33 -0.23 -0.06 0.00 -0.41 0.00 0.00 32.23 31.86 1dmo h LYS 13 CO 0.00 0.68 -0.19 0.93 -2.27 0.00 0.00 179.45 178.61 1dmo h GLU 14 N 1.06 -0.18 0.15 1.90 5.08 -1.28 0.75 114.58 122.07 1dmo h GLU 14 Ca 0.44 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.80 1dmo h GLU 14 Cb 0.27 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.57 1dmo h GLU 14 CO -0.20 -0.12 -0.07 0.00 -1.00 0.00 0.00 179.01 177.61 1dmo h ALA 15 N 0.92 -0.20 -0.41 3.43 0.00 -1.11 0.11 119.26 122.00 1dmo h ALA 15 Ca 0.13 -0.10 0.12 0.00 0.00 0.00 0.00 54.91 55.06 1dmo h ALA 15 Cb 0.39 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 1dmo h ALA 15 CO -0.34 -0.55 0.42 0.35 0.00 0.00 0.00 179.25 179.13 1dmo h PHE 16 N -0.33 0.00 0.09 0.00 3.57 -0.15 -1.32 116.94 118.80 1dmo h PHE 16 Ca -0.02 0.00 -0.24 0.00 3.53 0.00 0.00 57.97 61.24 1dmo h PHE 16 Cb 0.26 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.00 1dmo h PHE 16 CO -0.03 0.00 -1.21 0.77 -2.23 0.00 0.00 178.31 175.62 1dmo h SER 17 N 0.00 0.30 -1.08 0.41 0.02 0.14 -3.33 113.55 110.01 1dmo h SER 17 Ca 0.19 -0.83 0.29 0.00 -0.84 0.00 0.00 61.79 60.61 1dmo h SER 17 Cb 1.02 -0.10 -0.07 0.00 0.14 0.00 0.00 62.40 63.39 1dmo h SER 17 CO -0.00 1.52 0.73 -0.07 -1.14 0.00 0.00 176.83 177.87 1dmo h LEU 18 N -0.47 0.25 -4.72 5.07 3.38 0.35 0.38 115.31 119.54 1dmo h LEU 18 Ca -0.27 0.05 -0.72 0.00 0.09 0.00 0.00 57.88 57.03 1dmo h LEU 18 Cb 1.61 0.01 -0.30 0.00 0.09 0.00 0.00 40.66 42.07 1dmo h LEU 18 CO 0.02 0.04 0.72 0.49 0.09 0.00 0.00 178.44 179.81 1dmo n PHE 19 N -4.44 3.08 -1.97 1.13 3.72 -1.00 -5.01 117.46 112.97 1dmo n PHE 19 Ca 0.25 -2.55 -0.29 0.00 -0.05 0.00 0.00 57.45 54.81 1dmo n PHE 19 Cb 1.02 -1.05 0.12 0.00 -0.94 0.00 0.00 39.48 38.63 1dmo n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1dmo s ASP 20 N -1.64 4.01 0.00 4.37 -1.08 0.12 -4.47 116.67 117.99 1dmo s ASP 20 Ca 0.54 0.52 0.00 0.00 -0.52 0.00 0.00 52.55 53.08 1dmo s ASP 20 Cb 0.44 -0.85 0.00 0.00 -1.46 0.00 0.00 42.92 41.05 1dmo s ASP 20 CO -0.30 -2.18 0.00 1.17 0.52 0.00 0.00 175.17 174.37 1dmo n LYS 21 N -3.43 0.00 -0.02 4.34 3.00 -1.10 -4.95 118.16 116.01 1dmo n LYS 21 Ca 0.11 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.32 1dmo n LYS 21 Cb 0.60 0.00 -0.08 0.00 0.00 0.00 0.00 35.03 35.55 1dmo n LYS 21 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 1dmo h ASP 22 N 0.00 -0.07 0.00 3.14 3.58 -1.97 -3.49 116.42 117.62 1dmo h ASP 22 Ca 0.00 -0.54 0.00 0.00 0.42 0.00 0.00 57.03 56.91 1dmo h ASP 22 Cb 0.00 0.02 0.00 0.00 1.72 0.00 0.00 39.33 41.07 1dmo h ASP 22 CO 0.00 0.64 0.00 0.61 -2.88 0.00 0.00 179.24 177.61 1dmo n GLY 23 N 1.20 1.15 0.46 -0.78 0.00 -1.26 -4.96 105.19 101.00 1dmo n GLY 23 Ca -0.07 -0.01 0.27 0.00 0.00 0.00 0.00 46.02 46.21 1dmo n GLY 23 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 1dmo h ASP 24 N 1.16 0.00 0.00 1.61 2.03 -2.02 -3.44 116.42 115.77 1dmo h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1dmo h ASP 24 Cb 0.00 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.50 1dmo h ASP 24 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 179.24 178.82 1dmo n GLY 25 N -1.65 0.63 3.61 7.15 0.00 -1.26 -5.11 105.19 108.56 1dmo n GLY 25 Ca 0.17 -0.77 -0.09 0.00 0.00 0.00 0.00 46.02 45.33 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N -0.79 0.01 0.11 2.61 -4.23 -1.26 -4.05 115.64 108.04 1dmo s THR 26 Ca 0.00 -1.17 -0.00 0.00 -1.18 0.00 0.00 61.69 59.34 1dmo s THR 26 Cb 0.00 -1.98 -0.04 0.00 1.34 0.00 0.00 72.50 71.82 1dmo s THR 26 CO 0.00 -0.05 0.01 0.27 -0.54 0.00 0.00 174.62 174.31 1dmo s ILE 27 N -3.96 0.25 0.08 2.99 -4.36 -0.13 -2.70 121.20 113.37 1dmo s ILE 27 Ca 0.17 -1.89 -0.05 0.00 -0.26 0.00 0.00 60.65 58.62 1dmo s ILE 27 Cb -0.02 -1.85 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 1dmo s ILE 27 CO 0.05 -0.68 0.32 0.42 0.24 0.00 0.00 174.94 175.29 1dmo s THR 28 N -3.93 5.23 0.52 8.37 -4.23 -1.26 0.24 115.64 120.58 1dmo s THR 28 Ca 0.17 0.05 0.42 0.00 -1.18 0.00 0.00 61.69 61.16 1dmo s THR 28 Cb 0.07 -3.61 0.63 0.00 1.34 0.00 0.00 72.50 70.94 1dmo s THR 28 CO -0.03 0.18 1.62 0.71 -0.54 0.00 0.00 174.62 176.56 1dmo h THR 29 N 2.43 0.10 -0.25 3.99 1.35 -1.89 0.75 112.91 119.38 1dmo h THR 29 Ca -0.47 -0.01 -0.09 0.00 -0.55 0.00 0.00 66.41 65.29 1dmo h THR 29 Cb 1.18 0.07 -0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1dmo h THR 29 CO 0.71 0.00 -0.20 0.07 -0.25 0.00 0.00 175.52 175.85 1dmo h LYS 30 N 0.02 0.58 0.00 4.72 2.10 -1.92 -2.59 116.57 119.49 1dmo h LYS 30 Ca 0.85 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 59.21 1dmo h LYS 30 Cb 3.18 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 34.51 1dmo h LYS 30 CO -0.15 0.87 0.00 0.39 -2.00 0.00 0.00 179.45 178.56 1dmo n GLU 31 N -4.39 0.02 0.05 0.07 -0.58 0.25 -3.70 120.64 112.36 1dmo n GLU 31 Ca -0.04 0.21 -0.03 0.00 -0.42 0.00 0.00 57.16 56.88 1dmo n GLU 31 Cb 0.41 -1.50 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1dmo h LEU 32 N 0.00 -0.25 -1.10 -4.62 5.85 -0.91 -1.64 115.31 112.64 1dmo h LEU 32 Ca 0.00 0.02 0.41 0.00 0.84 0.00 0.00 57.88 59.15 1dmo h LEU 32 Cb 0.27 0.08 -0.16 0.00 0.37 0.00 0.00 40.66 41.22 1dmo h LEU 32 CO 0.00 -0.12 0.63 1.23 -0.34 0.00 0.00 178.44 179.83 1dmo h GLY 33 N -0.19 2.01 1.00 3.75 0.00 -1.72 0.96 103.07 108.89 1dmo h GLY 33 Ca -0.01 -0.16 -0.06 0.00 0.00 0.00 0.00 47.33 47.10 1dmo h GLY 33 CO -0.01 -0.65 0.13 -0.84 0.00 0.00 0.00 176.54 175.17 1dmo h THR 34 N 0.08 1.25 0.61 4.70 2.02 -1.62 -2.57 112.91 117.39 1dmo h THR 34 Ca 0.82 -0.89 -0.03 0.00 0.77 0.00 0.00 66.41 67.09 1dmo h THR 34 Cb 2.23 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1dmo h THR 34 CO -0.66 0.33 -0.30 0.58 0.37 0.00 0.00 175.52 175.85 1dmo h VAL 35 N 0.79 0.26 -1.42 3.16 2.07 0.19 -2.59 116.25 118.71 1dmo h VAL 35 Ca 0.17 -0.29 0.44 0.00 0.82 0.00 0.00 66.70 67.85 1dmo h VAL 35 Cb 0.35 0.34 -0.11 0.00 -1.52 0.00 0.00 31.29 30.35 1dmo h VAL 35 CO 0.00 0.03 0.95 0.24 0.02 0.00 0.00 177.57 178.82 1dmo h MET 36 N -1.05 0.08 0.22 1.57 2.86 -1.25 0.50 114.93 117.85 1dmo h MET 36 Ca -0.08 -0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1dmo h MET 36 Cb 0.68 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.33 1dmo h MET 36 CO 0.14 0.05 -0.11 -0.09 1.06 0.00 0.00 176.91 177.96 1dmo h ARG 37 N 0.08 -0.29 0.00 1.72 2.43 -1.08 0.34 114.38 117.58 1dmo h ARG 37 Ca 0.81 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 60.00 1dmo h ARG 37 Cb 2.72 0.07 0.00 0.00 -0.42 0.00 0.00 29.97 32.34 1dmo h ARG 37 CO -0.30 0.06 0.00 0.43 -1.51 0.00 0.00 179.97 178.66 1dmo n SER 38 N -5.05 0.00 -0.02 -3.80 7.64 0.70 -2.76 113.62 110.33 1dmo n SER 38 Ca -0.09 0.26 0.00 0.00 1.01 0.00 0.00 58.87 60.06 1dmo n SER 38 Cb 0.25 -0.41 -0.13 0.00 -1.01 0.00 0.00 64.21 62.91 1dmo n SER 38 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 1dmo n LEU 39 N -1.41 0.33 0.00 -3.43 0.00 0.14 -4.96 117.00 107.68 1dmo n LEU 39 Ca 0.08 0.14 0.00 0.00 0.00 0.00 0.00 56.01 56.23 1dmo n LEU 39 Cb 0.22 0.19 0.00 0.00 0.00 0.00 0.00 43.42 43.83 1dmo n LEU 39 CO 0.19 0.21 0.00 0.61 0.00 0.00 0.00 177.39 178.40 1dmo n GLY 40 N 1.47 0.60 3.79 -3.96 0.00 0.10 -5.02 105.19 102.17 1dmo n GLY 40 Ca -0.15 0.03 -0.08 0.00 0.00 0.00 0.00 46.02 45.82 1dmo n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 41 N 0.41 1.88 -0.54 1.61 1.11 -1.20 -4.93 119.66 117.99 1dmo s GLN 41 Ca 0.00 -1.18 -0.15 0.00 0.01 0.00 0.00 55.36 54.04 1dmo s GLN 41 Cb 0.00 0.59 -0.13 0.00 -1.01 0.00 0.00 33.01 32.46 1dmo s GLN 41 CO 0.00 -0.85 1.42 -1.71 0.01 0.00 0.00 175.29 174.15 1dmo n ASN 42 N -0.75 -0.01 -4.74 5.90 2.85 -1.26 -4.44 115.26 112.81 1dmo n ASN 42 Ca -0.05 0.03 -0.30 0.00 -0.11 0.00 0.00 54.58 54.15 1dmo n ASN 42 Cb 0.60 -0.46 0.12 0.00 1.24 0.00 0.00 39.78 41.27 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.11 0.00 0.00 177.26 172.99 1dmo s PRO 43 N 4.71 1.67 -0.38 1.20 0.05 -1.26 -4.99 135.00 136.00 1dmo s PRO 43 Ca 0.74 1.01 -0.18 0.00 0.05 0.00 0.00 61.00 62.61 1dmo s PRO 43 Cb -0.65 -1.84 0.01 0.00 0.05 0.00 0.00 34.50 32.07 1dmo s PRO 43 CO 0.27 -2.01 0.52 0.99 0.05 0.00 0.00 177.00 176.83 1dmo s THR 44 N -2.90 4.99 0.61 1.26 2.01 -1.26 -4.91 115.64 115.44 1dmo s THR 44 Ca 0.63 0.15 0.27 0.00 0.31 0.00 0.00 61.69 63.04 1dmo s THR 44 Cb -0.18 -4.02 0.34 0.00 0.01 0.00 0.00 72.50 68.65 1dmo s THR 44 CO 0.57 -0.33 1.74 1.05 -0.69 0.00 0.00 174.62 176.96 1dmo h GLU 45 N 8.60 0.00 0.00 4.92 4.11 -1.97 0.22 114.58 130.46 1dmo h GLU 45 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.16 1dmo h GLU 45 Cb 1.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1dmo h GLU 45 CO 0.80 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.88 1dmo n ALA 46 N -2.17 -0.09 -0.31 1.06 0.00 -1.26 -2.18 120.51 115.56 1dmo n ALA 46 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.59 1dmo n ALA 46 Cb 0.77 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.45 1dmo n ALA 46 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1dmo h GLU 47 N 0.00 0.66 -0.81 0.00 4.57 -1.90 0.39 114.58 117.49 1dmo h GLU 47 Ca 0.00 -0.04 0.13 0.00 -1.18 0.00 0.00 59.36 58.27 1dmo h GLU 47 Cb 0.00 -0.15 -0.09 0.00 -0.16 0.00 0.00 28.75 28.35 1dmo h GLU 47 CO 0.00 0.44 0.41 1.25 -1.18 0.00 0.00 179.01 179.93 1dmo h LEU 48 N 0.68 0.50 -0.45 1.64 5.85 -0.70 0.38 115.31 123.21 1dmo h LEU 48 Ca 0.47 0.08 -0.18 0.00 0.84 0.00 0.00 57.88 59.10 1dmo h LEU 48 Cb 0.64 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1dmo h LEU 48 CO -0.35 0.23 -0.71 -0.61 -0.34 0.00 0.00 178.44 176.66 1dmo h GLN 49 N 0.61 0.34 0.00 1.25 4.15 0.11 -2.43 115.11 119.15 1dmo h GLN 49 Ca 0.43 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.49 1dmo h GLN 49 Cb 0.57 0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.31 1dmo h GLN 49 CO -0.34 0.92 -0.42 -0.44 -1.93 0.00 0.00 178.83 176.62 1dmo h ASP 50 N 0.23 0.00 0.02 -0.69 3.32 0.14 -2.68 116.42 116.76 1dmo h ASP 50 Ca -0.03 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.86 1dmo h ASP 50 Cb 1.27 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.84 1dmo h ASP 50 CO 0.12 0.42 -0.67 0.24 -1.72 0.00 0.00 179.24 177.62 1dmo h MET 51 N 0.00 0.42 0.04 3.56 2.86 -0.22 -3.28 114.93 118.31 1dmo h MET 51 Ca -0.00 -0.48 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 1dmo h MET 51 Cb 0.82 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 32.60 1dmo h MET 51 CO 0.05 1.14 -0.15 0.82 1.06 0.00 0.00 176.91 179.84 1dmo h ILE 52 N -0.09 0.64 -0.86 -1.22 2.04 -1.36 -0.21 117.51 116.45 1dmo h ILE 52 Ca -0.09 0.00 0.25 0.00 1.00 0.00 0.00 64.86 66.02 1dmo h ILE 52 Cb 1.39 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 38.08 1dmo h ILE 52 CO 0.13 0.00 0.81 -1.13 0.00 0.00 0.00 178.15 177.96 1dmo h ASN 53 N -0.27 0.00 0.00 1.72 -1.24 -1.57 -0.66 115.58 113.55 1dmo h ASN 53 Ca 0.04 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.05 1dmo h ASN 53 Cb 0.31 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.36 1dmo h ASN 53 CO -0.12 0.00 0.00 1.21 -1.29 0.00 0.00 177.43 177.23 1dmo n GLU 54 N -3.72 0.00 0.22 6.67 4.07 -0.13 -3.76 120.64 123.99 1dmo n GLU 54 Ca 0.18 0.48 0.11 0.00 -0.06 0.00 0.00 57.16 57.87 1dmo n GLU 54 Cb 1.10 -0.98 0.37 0.00 -0.06 0.00 0.00 31.44 31.87 1dmo n GLU 54 CO 0.00 0.00 0.00 -0.39 -0.06 0.00 0.00 177.13 176.68 1dmo h VAL 55 N 0.00 0.03 0.00 6.31 -1.51 -1.11 0.17 116.25 120.15 1dmo h VAL 55 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 1dmo h VAL 55 Cb 0.00 0.24 0.00 0.00 -2.13 0.00 0.00 31.29 29.40 1dmo h VAL 55 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.81 1dmo n ASP 56 N -2.85 1.10 0.00 4.19 9.92 -0.28 -4.14 116.55 124.48 1dmo n ASP 56 Ca 0.04 -1.07 0.00 0.00 -0.53 0.00 0.00 54.79 53.24 1dmo n ASP 56 Cb 0.89 -0.27 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dmo n ALA 57 N 0.50 -0.34 -0.35 2.24 0.00 0.60 -2.68 120.51 120.47 1dmo n ALA 57 Ca 0.00 0.00 0.27 0.00 0.00 0.00 0.00 53.44 53.71 1dmo n ALA 57 Cb 0.20 0.02 0.52 0.00 0.00 0.00 0.00 19.45 20.19 1dmo n ALA 57 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1dmo h ASP 58 N 0.00 0.45 0.00 0.00 3.04 -1.88 -3.44 116.42 114.59 1dmo h ASP 58 Ca 0.00 0.18 0.00 0.00 -3.24 0.00 0.00 57.03 53.97 1dmo h ASP 58 Cb 0.00 0.14 0.00 0.00 -1.04 0.00 0.00 39.33 38.43 1dmo h ASP 58 CO 0.00 -0.15 0.00 0.61 -2.04 0.00 0.00 179.24 177.66 1dmo n GLY 59 N -1.34 0.71 0.57 7.15 0.00 -1.09 -4.91 105.19 106.27 1dmo n GLY 59 Ca 0.33 0.00 0.41 0.00 0.00 0.00 0.00 46.02 46.76 1dmo n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dmo h ASN 60 N 0.00 0.10 0.00 1.61 -0.26 -1.86 -3.44 115.58 111.74 1dmo h ASN 60 Ca 0.00 0.04 0.00 0.00 -0.56 0.00 0.00 56.30 55.78 1dmo h ASN 60 Cb 0.00 0.04 0.00 0.00 -1.06 0.00 0.00 38.32 37.30 1dmo h ASN 60 CO 0.00 -0.04 0.00 0.61 -1.06 0.00 0.00 177.43 176.94 1dmo n GLY 61 N -1.73 3.31 3.71 2.83 0.00 -1.26 -5.03 105.19 107.02 1dmo n GLY 61 Ca 0.35 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 46.12 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N -2.83 2.21 -0.03 2.61 -4.23 -1.26 -4.03 115.64 108.08 1dmo s THR 62 Ca 0.00 -1.77 0.06 0.00 -1.18 0.00 0.00 61.69 58.80 1dmo s THR 62 Cb 0.00 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.85 1dmo s THR 62 CO 0.00 0.00 -0.21 -0.63 -0.54 0.00 0.00 174.62 173.24 1dmo s ILE 63 N -2.63 1.67 0.35 2.99 1.01 0.14 -4.85 121.20 119.87 1dmo s ILE 63 Ca 0.39 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 60.23 1dmo s ILE 63 Cb 0.05 -1.40 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 1dmo s ILE 63 CO 0.21 0.47 0.40 -0.62 0.00 0.00 0.00 174.94 175.41 1dmo s ASP 64 N -0.34 5.60 0.22 3.58 -1.08 -1.26 -0.96 116.67 122.42 1dmo s ASP 64 Ca 0.04 -0.38 -0.09 0.00 -0.52 0.00 0.00 52.55 51.60 1dmo s ASP 64 Cb -0.10 -1.02 0.32 0.00 -1.46 0.00 0.00 42.92 40.67 1dmo s ASP 64 CO 0.00 -0.45 1.70 0.15 0.52 0.00 0.00 175.17 177.09 1dmo h PHE 65 N 1.02 0.18 0.14 -5.34 3.57 -1.97 -1.58 116.94 112.97 1dmo h PHE 65 Ca -0.44 0.04 0.02 0.00 3.53 0.00 0.00 57.97 61.11 1dmo h PHE 65 Cb 1.26 0.01 -0.04 0.00 2.79 0.00 0.00 35.95 39.97 1dmo h PHE 65 CO 0.47 -0.06 -0.37 -1.35 -2.23 0.00 0.00 178.31 174.78 1dmo h PRO 66 N 0.24 -0.59 -0.62 6.41 0.10 -1.95 -1.88 132.00 133.71 1dmo h PRO 66 Ca 0.33 0.04 0.11 0.00 0.10 0.00 0.00 66.00 66.58 1dmo h PRO 66 Cb 0.52 0.13 -0.08 0.00 0.10 0.00 0.00 31.00 31.67 1dmo h PRO 66 CO -0.44 -0.39 0.19 0.93 0.10 0.00 0.00 178.00 178.39 1dmo h GLU 67 N -0.61 0.32 -0.99 1.05 5.08 -1.85 0.24 114.58 117.82 1dmo h GLU 67 Ca 0.02 -0.02 0.23 0.00 -1.00 0.00 0.00 59.36 58.60 1dmo h GLU 67 Cb 0.63 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 29.72 1dmo h GLU 67 CO -0.20 0.21 0.64 0.35 -1.00 0.00 0.00 179.01 179.01 1dmo h PHE 68 N 0.33 0.68 -0.62 4.33 3.04 -0.53 0.35 116.94 124.53 1dmo h PHE 68 Ca 0.33 0.02 -0.07 0.00 3.98 0.00 0.00 57.97 62.23 1dmo h PHE 68 Cb 0.46 -0.20 -0.02 0.00 2.56 0.00 0.00 35.95 38.74 1dmo h PHE 68 CO -0.21 0.12 0.13 -0.07 -2.02 0.00 0.00 178.31 176.25 1dmo h LEU 69 N 0.46 0.96 0.25 0.59 3.38 0.06 0.30 115.31 121.31 1dmo h LEU 69 Ca 0.55 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 58.26 1dmo h LEU 69 Cb 1.30 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.80 1dmo h LEU 69 CO -0.27 0.96 -0.12 0.74 0.09 0.00 0.00 178.44 179.84 1dmo h THR 70 N 0.92 0.79 -0.39 0.22 2.02 -0.05 0.73 112.91 117.15 1dmo h THR 70 Ca 0.19 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.91 1dmo h THR 70 Cb 0.39 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.77 1dmo h THR 70 CO 0.01 0.07 -0.30 0.00 0.37 0.00 0.00 175.52 175.66 1dmo h MET 71 N -0.51 0.86 0.00 6.66 -0.00 -1.19 -2.49 114.93 118.26 1dmo h MET 71 Ca -0.03 -0.40 -0.10 0.00 -0.00 0.00 0.00 59.70 59.17 1dmo h MET 71 Cb 0.38 -0.01 -0.01 0.00 -0.00 0.00 0.00 31.60 31.95 1dmo h MET 71 CO 0.06 1.04 -0.46 1.98 -0.00 0.00 0.00 176.91 179.53 1dmo h MET 72 N 0.73 0.00 -0.33 -0.10 -1.53 -0.35 -2.75 114.93 110.60 1dmo h MET 72 Ca 0.08 0.00 -0.09 0.00 -3.44 0.00 0.00 59.70 56.25 1dmo h MET 72 Cb 0.86 0.00 -0.02 0.00 -0.55 0.00 0.00 31.60 31.90 1dmo h MET 72 CO 0.08 0.46 -0.17 0.00 0.14 0.00 0.00 176.91 177.41 1dmo h ALA 73 N 1.54 1.08 0.00 0.39 0.00 0.82 -1.79 119.26 121.31 1dmo h ALA 73 Ca -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 1dmo h ALA 73 Cb 0.94 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.59 1dmo h ALA 73 CO 0.06 0.56 -0.06 -0.09 0.00 0.00 0.00 179.25 179.73 1dmo h ARG 74 N 0.55 0.00 -0.00 0.00 2.43 -1.14 1.94 114.38 118.15 1dmo h ARG 74 Ca 0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.26 1dmo h ARG 74 Cb 0.61 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 1dmo h ARG 74 CO 0.04 0.06 -0.05 1.63 -1.51 0.00 0.00 179.97 180.13 1dmo n LYS 75 N -3.99 0.30 0.00 0.20 4.76 -0.68 -3.51 118.16 115.24 1dmo n LYS 75 Ca -0.03 -0.04 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 1dmo n LYS 75 Cb 0.14 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.83 1dmo n LYS 75 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 1dmo n MET 76 N -1.32 0.72 0.07 1.97 1.56 0.10 -4.74 117.12 115.48 1dmo n MET 76 Ca 0.11 -0.70 0.09 0.00 -0.27 0.00 0.00 57.70 56.94 1dmo n MET 76 Cb 0.29 -0.66 0.39 0.00 2.15 0.00 0.00 33.22 35.39 1dmo n MET 76 CO 0.00 0.00 0.00 0.36 -0.73 0.00 0.00 175.97 175.60 1dmo n LYS 77 N -0.13 0.10 -0.28 2.12 2.85 0.62 -0.96 118.16 122.48 1dmo n LYS 77 Ca 0.00 0.35 0.11 0.00 -1.05 0.00 0.00 58.31 57.72 1dmo n LYS 77 Cb 0.38 -1.69 0.28 0.00 -0.65 0.00 0.00 35.03 33.35 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 177.40 177.10 1dmo n ASP 78 N -1.87 3.44 -1.30 -5.58 8.00 -1.26 -5.06 116.55 112.92 1dmo n ASP 78 Ca 0.03 -1.98 0.15 0.00 0.71 0.00 0.00 54.79 53.70 1dmo n ASP 78 Cb 0.19 -0.37 -0.06 0.00 -0.02 0.00 0.00 41.12 40.86 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dmo n THR 79 N 1.40 -0.06 -2.70 -3.53 -1.04 -0.13 -4.91 114.28 103.31 1dmo n THR 79 Ca 0.21 0.44 -0.07 0.00 -2.04 0.00 0.00 64.05 62.59 1dmo n THR 79 Cb 0.56 -0.84 0.11 0.00 -1.82 0.00 0.00 70.33 68.33 1dmo n THR 79 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1dmo n ASP 80 N -4.28 -1.94 0.07 8.00 8.00 -1.26 -4.98 116.55 120.17 1dmo n ASP 80 Ca -0.04 -2.64 0.00 0.00 0.71 0.00 0.00 54.79 52.82 1dmo n ASP 80 Cb 0.65 1.20 0.00 0.00 -0.02 0.00 0.00 41.12 42.95 1dmo n ASP 80 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1dmo n SER 81 N -0.39 -0.55 -0.02 -2.24 2.88 -1.26 -4.82 113.62 107.22 1dmo n SER 81 Ca -0.03 0.26 0.22 0.00 -1.33 0.00 0.00 58.87 57.99 1dmo n SER 81 Cb 0.81 0.66 0.52 0.00 -0.75 0.00 0.00 64.21 65.45 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -1.23 0.00 0.00 175.04 173.48 1dmo h GLU 82 N 0.00 0.00 -0.24 -1.46 5.08 -1.92 1.01 114.58 117.05 1dmo h GLU 82 Ca 0.00 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.16 1dmo h GLU 82 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1dmo h GLU 82 CO 0.00 0.00 -0.63 0.93 -1.00 0.00 0.00 179.01 178.31 1dmo h GLU 83 N 0.00 0.85 -0.49 2.33 5.08 -1.96 -0.13 114.58 120.27 1dmo h GLU 83 Ca 0.31 -0.59 -0.05 0.00 -1.00 0.00 0.00 59.36 58.03 1dmo h GLU 83 Cb 2.10 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 31.42 1dmo h GLU 83 CO -0.00 1.22 0.08 1.49 -1.00 0.00 0.00 179.01 180.80 1dmo h GLU 84 N 0.62 0.77 0.07 2.33 4.81 0.75 -1.88 114.58 122.06 1dmo h GLU 84 Ca -0.01 -0.16 -0.00 0.00 -0.13 0.00 0.00 59.36 59.05 1dmo h GLU 84 Cb 1.25 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1dmo h GLU 84 CO 0.14 0.72 -0.04 0.82 -0.73 0.00 0.00 179.01 179.92 1dmo h ILE 85 N 0.73 1.16 -1.02 2.32 2.04 -1.40 -2.51 117.51 118.83 1dmo h ILE 85 Ca 0.16 -1.45 0.28 0.00 1.00 0.00 0.00 64.86 64.85 1dmo h ILE 85 Cb 0.33 2.02 -0.06 0.00 -0.74 0.00 0.00 36.82 38.36 1dmo h ILE 85 CO 0.00 0.33 0.70 -0.09 0.00 0.00 0.00 178.15 179.09 1dmo h ARG 86 N -0.82 0.20 -0.10 2.37 2.43 -0.94 0.16 114.38 117.68 1dmo h ARG 86 Ca -0.01 -0.01 -0.09 0.00 -0.81 0.00 0.00 59.98 59.06 1dmo h ARG 86 Cb 0.61 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dmo h ARG 86 CO 0.02 0.13 -0.28 0.93 -1.51 0.00 0.00 179.97 179.26 1dmo h GLU 87 N 0.20 0.36 -1.04 0.20 5.08 -1.32 -2.13 114.58 115.93 1dmo h GLU 87 Ca 0.53 -0.26 0.27 0.00 -1.00 0.00 0.00 59.36 58.90 1dmo h GLU 87 Cb 1.70 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.90 1dmo h GLU 87 CO -0.14 0.87 0.68 0.00 -1.00 0.00 0.00 179.01 179.42 1dmo h ALA 88 N 0.48 2.27 0.05 3.43 0.00 -0.22 0.18 119.26 125.45 1dmo h ALA 88 Ca -0.01 0.06 -0.22 0.00 0.00 0.00 0.00 54.91 54.74 1dmo h ALA 88 Cb 0.90 0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.74 1dmo h ALA 88 CO 0.06 -0.67 -0.89 0.74 0.00 0.00 0.00 179.25 178.48 1dmo h PHE 89 N 0.37 0.79 -0.89 0.00 0.04 -1.34 -3.17 116.94 112.74 1dmo h PHE 89 Ca 0.59 -0.47 0.25 0.00 2.80 0.00 0.00 57.97 61.15 1dmo h PHE 89 Cb 1.54 -0.08 -0.04 0.00 2.20 0.00 0.00 35.95 39.57 1dmo h PHE 89 CO -0.00 1.31 0.64 -0.09 -0.60 0.00 0.00 178.31 179.57 1dmo h ARG 90 N 0.05 0.03 0.00 1.51 2.43 0.01 0.37 114.38 118.79 1dmo h ARG 90 Ca -0.13 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 1dmo h ARG 90 Cb 1.60 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 31.14 1dmo h ARG 90 CO 0.17 0.02 0.03 0.28 -1.51 0.00 0.00 179.97 178.97 1dmo n VAL 91 N -4.29 0.36 -0.23 0.20 0.31 -0.73 0.17 118.33 114.12 1dmo n VAL 91 Ca 0.19 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.64 1dmo n VAL 91 Cb 0.94 -1.12 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 1dmo n VAL 91 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dmo n PHE 92 N -0.99 0.00 0.45 3.52 3.72 0.13 -4.77 117.46 119.52 1dmo n PHE 92 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1dmo n PHE 92 Cb 0.03 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.57 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1dmo n ASP 93 N -0.19 0.66 -0.75 4.37 2.03 0.13 -2.68 116.55 120.11 1dmo n ASP 93 Ca 0.00 -0.91 0.13 0.00 0.52 0.00 0.00 54.79 54.53 1dmo n ASP 93 Cb 0.06 -0.23 0.31 0.00 -0.72 0.00 0.00 41.12 40.54 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dmo n LYS 94 N 0.39 2.02 0.05 -0.67 5.02 -1.26 -4.06 118.16 119.65 1dmo n LYS 94 Ca 0.00 -1.50 0.00 0.00 -2.02 0.00 0.00 58.31 54.79 1dmo n LYS 94 Cb 0.14 -1.47 0.00 0.00 -0.02 0.00 0.00 35.03 33.68 1dmo n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1dmo n ASP 95 N 0.79 -0.04 -0.10 4.39 2.03 -1.09 -4.89 116.55 117.63 1dmo n ASP 95 Ca 0.17 0.16 -0.09 0.00 0.52 0.00 0.00 54.79 55.55 1dmo n ASP 95 Cb 0.47 0.13 -0.01 0.00 -0.72 0.00 0.00 41.12 40.99 1dmo n ASP 95 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 1dmo h GLY 96 N 0.00 0.49 -4.09 0.27 0.00 -1.81 -3.48 103.07 94.44 1dmo h GLY 96 Ca 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1dmo h GLY 96 CO 0.00 0.18 -0.35 -2.01 0.00 0.00 0.00 176.54 174.36 1dmo n ASN 97 N -4.84 -4.96 0.00 0.19 4.05 -1.26 -4.49 115.26 103.95 1dmo n ASN 97 Ca -0.01 0.46 0.00 0.00 0.45 0.00 0.00 54.58 55.48 1dmo n ASN 97 Cb 0.03 -3.16 0.00 0.00 1.23 0.00 0.00 39.78 37.87 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dmo n GLY 98 N -0.08 1.91 3.57 8.20 0.00 -1.26 -4.96 105.19 112.57 1dmo n GLY 98 Ca 0.03 -0.65 -0.36 0.00 0.00 0.00 0.00 46.02 45.04 1dmo n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1dmo s TYR 99 N 0.00 3.20 0.56 1.61 2.02 -1.26 -4.25 117.35 119.23 1dmo s TYR 99 Ca 0.00 -0.04 -0.08 0.00 -0.37 0.00 0.00 57.07 56.57 1dmo s TYR 99 Cb 0.00 -2.22 -0.04 0.00 -0.40 0.00 0.00 41.96 39.30 1dmo s TYR 99 CO 0.00 -0.08 0.92 0.96 -1.57 0.00 0.00 175.55 175.78 1dmo s ILE 100 N 1.15 4.80 0.10 2.71 -4.36 -0.36 -4.38 121.20 120.86 1dmo s ILE 100 Ca 0.06 0.58 -0.31 0.00 -0.26 0.00 0.00 60.65 60.71 1dmo s ILE 100 Cb -0.14 -3.87 -0.07 0.00 1.25 0.00 0.00 42.46 39.63 1dmo s ILE 100 CO 0.04 -1.01 1.32 -0.55 0.24 0.00 0.00 174.94 174.98 1dmo s SER 101 N -4.14 6.91 0.65 4.36 0.15 -1.26 0.93 113.70 121.30 1dmo s SER 101 Ca 0.52 2.23 0.31 0.00 0.70 0.00 0.00 55.95 59.71 1dmo s SER 101 Cb -0.11 -2.59 1.69 0.00 -1.71 0.00 0.00 66.02 63.31 1dmo s SER 101 CO 0.50 -0.58 1.98 0.00 1.20 0.00 0.00 173.24 176.34 1dmo h ALA 102 N 6.69 1.48 0.22 5.45 0.00 -1.63 0.11 119.26 131.58 1dmo h ALA 102 Ca -0.42 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1dmo h ALA 102 Cb 1.21 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dmo h ALA 102 CO 0.84 -0.35 -0.10 0.00 0.00 0.00 0.00 179.25 179.63 1dmo h ALA 103 N 1.47 -0.37 -0.86 0.00 0.00 -1.89 -2.58 119.26 115.03 1dmo h ALA 103 Ca 0.04 -0.06 0.20 0.00 0.00 0.00 0.00 54.91 55.09 1dmo h ALA 103 Cb 0.66 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 1dmo h ALA 103 CO -0.00 -0.35 0.58 1.49 0.00 0.00 0.00 179.25 180.97 1dmo h GLU 104 N -0.81 0.31 0.33 0.00 4.57 -1.74 0.01 114.58 117.25 1dmo h GLU 104 Ca -0.03 -0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.13 1dmo h GLU 104 Cb 0.22 -0.07 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1dmo h GLU 104 CO 0.05 0.21 -0.30 1.25 -1.18 0.00 0.00 179.01 179.04 1dmo h LEU 105 N 0.32 -0.79 -1.91 1.64 6.46 -0.82 0.26 115.31 120.46 1dmo h LEU 105 Ca 0.44 0.07 0.29 0.00 -0.12 0.00 0.00 57.88 58.55 1dmo h LEU 105 Cb 1.20 0.26 -0.04 0.00 -0.73 0.00 0.00 40.66 41.36 1dmo h LEU 105 CO -0.14 -0.43 0.79 -0.09 -0.62 0.00 0.00 178.44 177.95 1dmo h ARG 106 N -0.65 0.00 0.03 1.25 2.43 -0.57 1.44 114.38 118.32 1dmo h ARG 106 Ca -0.02 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.93 1dmo h ARG 106 Cb 0.58 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.12 1dmo h ARG 106 CO -0.04 0.00 -0.99 1.25 -1.51 0.00 0.00 179.97 178.68 1dmo h HIS 107 N 0.00 0.42 -0.57 2.20 2.76 -0.34 -3.14 115.15 116.49 1dmo h HIS 107 Ca 0.47 -0.25 0.03 0.00 -2.20 0.00 0.00 60.37 58.42 1dmo h HIS 107 Cb 2.04 -0.04 -0.03 0.00 1.55 0.00 0.00 27.41 30.93 1dmo h HIS 107 CO 0.00 1.10 0.38 0.28 -1.30 0.00 0.00 177.93 178.39 1dmo h VAL 108 N 0.13 1.08 0.00 5.26 2.07 0.47 0.25 116.25 125.50 1dmo h VAL 108 Ca -0.07 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.21 1dmo h VAL 108 Cb 1.65 0.35 -0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1dmo h VAL 108 CO 0.16 0.12 -0.04 0.24 0.02 0.00 0.00 177.57 178.07 1dmo h MET 109 N 0.67 0.00 0.09 1.57 2.07 -1.37 -1.01 114.93 116.94 1dmo h MET 109 Ca 0.23 0.00 -0.26 0.00 -2.07 0.00 0.00 59.70 57.59 1dmo h MET 109 Cb 0.07 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 29.81 1dmo h MET 109 CO -0.06 0.04 -1.14 1.15 1.07 0.00 0.00 176.91 177.97 1dmo h THR 110 N 0.00 1.42 -0.61 2.22 2.02 -0.61 -1.43 112.91 115.93 1dmo h THR 110 Ca -0.00 -2.73 -0.01 0.00 0.77 0.00 0.00 66.41 64.44 1dmo h THR 110 Cb 0.12 2.72 -0.03 0.00 -1.74 0.00 0.00 68.15 69.21 1dmo h THR 110 CO 0.01 0.81 0.34 -1.13 0.37 0.00 0.00 175.52 175.91 1dmo h ASN 111 N 0.16 0.75 0.20 4.18 -0.73 -0.82 -2.71 115.58 116.62 1dmo h ASN 111 Ca -0.13 -0.09 -0.23 0.00 1.87 0.00 0.00 56.30 57.72 1dmo h ASN 111 Cb 1.82 -0.19 0.01 0.00 0.27 0.00 0.00 38.32 40.23 1dmo h ASN 111 CO 0.20 0.62 -0.94 -0.07 -0.37 0.00 0.00 177.43 176.87 1dmo h LEU 112 N 0.82 0.67 -2.95 0.34 3.38 -1.53 -3.49 115.31 112.56 1dmo h LEU 112 Ca 0.21 -0.52 -0.14 0.00 0.09 0.00 0.00 57.88 57.52 1dmo h LEU 112 Cb 0.04 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.59 1dmo h LEU 112 CO -0.04 1.31 -0.94 0.61 0.09 0.00 0.00 178.44 179.48 1dmo n GLY 113 N 0.94 -0.98 0.00 0.83 0.00 -0.54 -5.01 105.19 100.43 1dmo n GLY 113 Ca -0.08 0.86 0.00 0.00 0.00 0.00 0.00 46.02 46.80 1dmo n GLY 113 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1dmo n GLU 114 N 0.22 0.00 -1.10 1.61 2.13 -1.26 -5.05 120.64 117.19 1dmo n GLU 114 Ca 0.00 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.81 1dmo n GLU 114 Cb 0.48 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 32.17 1dmo n GLU 114 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1dmo n LYS 115 N 0.00 0.00 -2.58 5.31 -0.00 -1.26 -5.07 118.16 114.56 1dmo n LYS 115 Ca 0.00 -1.30 -0.43 0.00 -0.00 0.00 0.00 58.31 56.58 1dmo n LYS 115 Cb 0.00 0.14 -0.02 0.00 -0.00 0.00 0.00 35.03 35.14 1dmo n LYS 115 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 1dmo s LEU 116 N 0.00 3.53 0.11 -5.58 1.98 -1.26 -4.96 118.68 112.49 1dmo s LEU 116 Ca 0.14 0.27 -0.35 0.00 -2.89 0.00 0.00 54.13 51.29 1dmo s LEU 116 Cb 0.16 -3.33 -0.15 0.00 0.66 0.00 0.00 46.19 43.53 1dmo s LEU 116 CO -0.07 -1.39 1.51 0.35 -1.89 0.00 0.00 176.35 174.86 1dmo n THR 117 N 6.76 0.04 -0.33 3.68 -2.24 -1.26 -4.73 114.28 116.19 1dmo n THR 117 Ca 0.10 -0.01 0.30 0.00 -2.27 0.00 0.00 64.05 62.18 1dmo n THR 117 Cb 0.49 -1.29 0.65 0.00 -2.10 0.00 0.00 70.33 68.08 1dmo n THR 117 CO 0.00 0.00 0.00 -2.24 -0.57 0.00 0.00 175.07 172.26 1dmo h ASP 118 N 5.63 0.20 -0.42 3.42 3.04 -1.99 0.52 116.42 126.81 1dmo h ASP 118 Ca -0.46 0.04 -0.08 0.00 -3.24 0.00 0.00 57.03 53.29 1dmo h ASP 118 Cb 1.29 0.01 -0.01 0.00 -1.04 0.00 0.00 39.33 39.58 1dmo h ASP 118 CO 0.85 0.02 -0.06 1.05 -2.04 0.00 0.00 179.24 179.06 1dmo h GLU 119 N 0.17 0.79 -0.19 4.15 4.11 -1.99 -1.50 114.58 120.11 1dmo h GLU 119 Ca 0.59 -0.28 -0.02 0.00 0.07 0.00 0.00 59.36 59.72 1dmo h GLU 119 Cb 1.98 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 31.17 1dmo h GLU 119 CO -0.15 0.89 0.06 0.93 0.07 0.00 0.00 179.01 180.81 1dmo h GLU 120 N 0.61 0.30 -0.86 1.06 4.39 -0.36 0.12 114.58 119.85 1dmo h GLU 120 Ca 0.11 -0.07 0.05 0.00 0.34 0.00 0.00 59.36 59.80 1dmo h GLU 120 Cb 0.58 -0.04 -0.05 0.00 -0.10 0.00 0.00 28.75 29.13 1dmo h GLU 120 CO 0.03 0.42 0.56 0.28 -1.16 0.00 0.00 179.01 179.14 1dmo h VAL 121 N 0.13 1.09 -0.08 3.13 2.07 -1.15 0.29 116.25 121.74 1dmo h VAL 121 Ca 0.06 -0.35 -0.07 0.00 0.82 0.00 0.00 66.70 67.17 1dmo h VAL 121 Cb 0.24 -0.01 0.00 0.00 -1.52 0.00 0.00 31.29 30.01 1dmo h VAL 121 CO -0.00 0.18 -0.23 -0.78 0.02 0.00 0.00 177.57 176.77 1dmo h ASP 122 N 1.01 0.34 0.18 0.57 3.58 -0.95 0.18 116.42 121.33 1dmo h ASP 122 Ca 0.36 -0.60 -0.03 0.00 0.42 0.00 0.00 57.03 57.18 1dmo h ASP 122 Cb 0.14 -0.10 -0.00 0.00 1.72 0.00 0.00 39.33 41.08 1dmo h ASP 122 CO -0.12 0.88 -0.16 -0.08 -2.88 0.00 0.00 179.24 176.87 1dmo h GLU 123 N -0.18 0.00 0.14 0.28 4.81 -0.26 -1.92 114.58 117.46 1dmo h GLU 123 Ca -0.00 0.00 -0.24 0.00 -0.13 0.00 0.00 59.36 58.98 1dmo h GLU 123 Cb 0.84 0.00 0.01 0.00 0.63 0.00 0.00 28.75 30.23 1dmo h GLU 123 CO 0.05 0.16 -1.15 1.98 -0.73 0.00 0.00 179.01 179.32 1dmo h MET 124 N 0.00 0.30 -0.01 1.92 4.05 -0.35 -3.17 114.93 117.68 1dmo h MET 124 Ca -0.00 -0.52 0.03 0.00 -0.28 0.00 0.00 59.70 58.93 1dmo h MET 124 Cb 0.30 0.19 -0.04 0.00 -0.80 0.00 0.00 31.60 31.25 1dmo h MET 124 CO 0.02 1.25 -0.20 0.82 0.23 0.00 0.00 176.91 179.03 1dmo h ILE 125 N -0.28 0.52 -0.03 1.77 2.04 -0.41 0.64 117.51 121.76 1dmo h ILE 125 Ca -0.23 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.64 1dmo h ILE 125 Cb 1.75 0.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.35 1dmo h ILE 125 CO 0.13 0.00 0.05 -0.09 0.00 0.00 0.00 178.15 178.23 1dmo h ARG 126 N -0.32 0.00 -0.40 2.37 1.12 -1.50 0.13 114.38 115.78 1dmo h ARG 126 Ca 0.06 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.93 1dmo h ARG 126 Cb 0.40 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.36 1dmo h ARG 126 CO -0.19 0.00 0.00 0.39 -3.11 0.00 0.00 179.97 177.06 1dmo n GLU 127 N -3.55 3.49 0.00 0.20 1.02 0.45 -4.61 120.64 117.64 1dmo n GLU 127 Ca -0.02 -2.82 0.00 0.00 -0.02 0.00 0.00 57.16 54.30 1dmo n GLU 127 Cb 0.13 -1.87 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 128 N 0.13 2.05 -4.04 0.62 0.00 0.20 -4.77 120.51 114.70 1dmo n ALA 128 Ca 0.22 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.30 1dmo n ALA 128 Cb 0.90 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.34 1dmo n ALA 128 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1dmo n ASN 129 N 0.62 -2.18 -4.83 0.00 5.03 -1.26 -4.78 115.26 107.86 1dmo n ASN 129 Ca 0.00 -1.10 -0.29 0.00 0.87 0.00 0.00 54.58 54.06 1dmo n ASN 129 Cb 0.27 -1.33 0.12 0.00 -1.02 0.00 0.00 39.78 37.81 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1dmo s ILE 130 N -3.88 2.03 0.00 2.41 1.01 -1.26 -4.94 121.20 116.57 1dmo s ILE 130 Ca 0.30 0.01 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1dmo s ILE 130 Cb -0.17 -2.85 0.00 0.00 0.01 0.00 0.00 42.46 39.46 1dmo s ILE 130 CO 0.83 -0.01 0.00 0.47 0.00 0.00 0.00 174.94 176.23 1dmo n ASP 131 N -3.60 0.00 0.00 3.58 8.00 -1.26 -5.05 116.55 118.22 1dmo n ASP 131 Ca 0.07 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.57 1dmo n ASP 131 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.70 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 132 N 0.00 1.37 0.00 0.44 0.00 -1.26 -5.00 105.19 100.73 1dmo n GLY 132 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1dmo n GLY 132 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 133 N 0.00 0.00 0.00 1.61 9.92 -1.26 -4.96 116.55 121.86 1dmo n ASP 133 Ca 0.00 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.26 1dmo n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.48 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 134 N 0.26 0.41 0.56 0.44 0.00 -1.26 -5.14 105.19 100.46 1dmo n GLY 134 Ca 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.97 1dmo n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 135 N 0.00 -1.09 -3.66 1.61 6.02 -1.26 -2.12 117.38 116.88 1dmo n GLN 135 Ca 0.00 -0.29 -0.07 0.00 -0.01 0.00 0.00 57.00 56.64 1dmo n GLN 135 Cb 0.07 -0.25 -0.08 0.00 1.02 0.00 0.00 30.24 31.00 1dmo n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dmo s VAL 136 N -1.35 -0.59 -1.13 5.09 1.01 0.27 -4.38 120.40 119.33 1dmo s VAL 136 Ca 0.11 0.10 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1dmo s VAL 136 Cb -0.01 -0.78 -0.09 0.00 0.00 0.00 0.00 36.38 35.50 1dmo s VAL 136 CO 0.09 0.04 1.95 0.20 0.00 0.00 0.00 175.10 177.38 1dmo s ASN 137 N 2.42 4.93 0.31 3.32 0.01 -1.26 -1.23 114.94 123.45 1dmo s ASN 137 Ca -0.05 -1.44 0.04 0.00 -0.71 0.00 0.00 52.86 50.70 1dmo s ASN 137 Cb -0.11 -2.58 0.23 0.00 0.41 0.00 0.00 41.25 39.19 1dmo s ASN 137 CO -0.15 -3.14 0.91 0.00 -1.51 0.00 0.00 177.10 173.21 1dmo n TYR 138 N 14.71 0.14 0.01 2.20 4.11 -1.26 -1.83 117.16 135.23 1dmo n TYR 138 Ca 0.44 0.07 -0.00 0.00 -0.00 0.00 0.00 57.90 58.41 1dmo n TYR 138 Cb 0.47 -0.22 -0.00 0.00 -0.00 0.00 0.00 39.34 39.59 1dmo n TYR 138 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.86 178.35 1dmo h GLU 139 N 0.00 -0.02 -0.00 -3.48 4.57 -1.86 0.89 114.58 114.69 1dmo h GLU 139 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1dmo h GLU 139 Cb 1.18 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.78 1dmo h GLU 139 CO 0.00 -0.01 0.01 1.05 -1.18 0.00 0.00 179.01 178.87 1dmo h GLU 140 N -0.02 0.00 0.00 1.92 4.11 -1.78 0.20 114.58 119.01 1dmo h GLU 140 Ca -0.00 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.26 1dmo h GLU 140 Cb 0.02 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1dmo h GLU 140 CO 0.00 0.00 -0.80 0.35 0.07 0.00 0.00 179.01 178.63 1dmo h PHE 141 N 0.00 0.00 -0.22 2.06 3.04 -1.25 -2.18 116.94 118.40 1dmo h PHE 141 Ca 0.00 0.00 -0.17 0.00 3.98 0.00 0.00 57.97 61.78 1dmo h PHE 141 Cb 0.02 0.00 0.00 0.00 2.56 0.00 0.00 35.95 38.53 1dmo h PHE 141 CO 0.00 0.80 -0.54 0.28 -2.02 0.00 0.00 178.31 176.84 1dmo h VAL 142 N 0.00 1.30 0.00 1.41 2.07 0.41 -1.85 116.25 119.58 1dmo h VAL 142 Ca -0.01 -1.75 -0.10 0.00 0.82 0.00 0.00 66.70 65.66 1dmo h VAL 142 Cb 1.54 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 33.12 1dmo h VAL 142 CO 0.10 0.55 -0.48 -0.61 0.02 0.00 0.00 177.57 177.15 1dmo h GLN 143 N 0.47 0.00 0.00 1.57 4.15 -1.54 -3.16 115.11 116.60 1dmo h GLN 143 Ca -0.01 0.00 -0.13 0.00 0.77 0.00 0.00 58.65 59.29 1dmo h GLN 143 Cb 1.15 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.82 1dmo h GLN 143 CO 0.12 0.47 -0.89 1.98 -1.93 0.00 0.00 178.83 178.58 1dmo h MET 144 N 0.00 0.00 0.00 1.69 4.05 -1.40 -2.75 114.93 116.52 1dmo h MET 144 Ca -0.01 0.00 -0.06 0.00 -0.28 0.00 0.00 59.70 59.35 1dmo h MET 144 Cb 1.37 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.16 1dmo h MET 144 CO 0.06 0.40 -0.47 0.52 0.23 0.00 0.00 176.91 177.65 1dmo h MET 145 N 0.00 0.00 0.00 0.39 2.86 -1.39 -3.39 114.93 113.39 1dmo h MET 145 Ca -0.07 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.57 1dmo h MET 145 Cb 1.45 0.00 0.00 0.00 0.06 0.00 0.00 31.60 33.11 1dmo h MET 145 CO 0.06 0.25 -0.10 2.41 1.06 0.00 0.00 176.91 180.58 1dmo n THR 146 N -3.09 0.21 -0.55 2.22 -1.04 -1.19 -4.90 114.28 105.94 1dmo n THR 146 Ca 0.01 0.46 0.00 0.00 -2.04 0.00 0.00 64.05 62.48 1dmo n THR 146 Cb 0.65 -1.63 0.00 0.00 -1.82 0.00 0.00 70.33 67.54 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo n ALA 147 N -2.58 0.00 -1.21 2.41 0.00 -1.04 -5.12 120.51 112.98 1dmo n ALA 147 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 1dmo n ALA 147 Cb 0.05 -0.85 0.00 0.00 0.00 0.00 0.00 19.45 18.65 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13