#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo n ASP 2 N 0.00 0.41 -3.64 0.00 8.00 -1.26 -5.11 116.55 114.95 1dmo n ASP 2 Ca 0.00 -1.95 -0.08 0.00 0.71 0.00 0.00 54.79 53.47 1dmo n ASP 2 Cb 0.00 -0.16 -0.02 0.00 -0.02 0.00 0.00 41.12 40.93 1dmo n ASP 2 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1dmo s GLN 3 N 0.00 1.85 0.22 -1.24 -2.07 -1.26 -4.62 119.66 112.53 1dmo s GLN 3 Ca 0.20 -1.19 -0.30 0.00 -1.82 0.00 0.00 55.36 52.26 1dmo s GLN 3 Cb 0.23 0.58 -0.16 0.00 -1.09 0.00 0.00 33.01 32.57 1dmo s GLN 3 CO -0.10 -0.84 0.87 1.28 -1.32 0.00 0.00 175.29 175.19 1dmo n LEU 4 N -0.47 0.56 -4.93 2.60 4.77 -1.26 -4.93 117.00 113.34 1dmo n LEU 4 Ca -0.04 1.15 -0.25 0.00 -0.03 0.00 0.00 56.01 56.84 1dmo n LEU 4 Cb 0.60 -1.13 0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1dmo n LEU 4 CO 0.20 -1.97 0.35 -0.89 -1.33 0.00 0.00 177.39 173.75 1dmo s THR 5 N -0.79 4.42 0.26 -5.08 2.01 -1.26 -4.99 115.64 110.21 1dmo s THR 5 Ca 0.66 -0.21 -0.03 0.00 0.31 0.00 0.00 61.69 62.42 1dmo s THR 5 Cb -0.85 -3.66 0.15 0.00 0.01 0.00 0.00 72.50 68.15 1dmo s THR 5 CO 0.57 -0.55 1.81 1.05 -0.69 0.00 0.00 174.62 176.81 1dmo h GLU 6 N 0.32 0.91 -0.43 4.92 4.11 -1.99 -2.44 114.58 119.98 1dmo h GLU 6 Ca -0.47 -0.19 -0.03 0.00 0.07 0.00 0.00 59.36 58.75 1dmo h GLU 6 Cb 1.23 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 30.33 1dmo h GLU 6 CO 0.60 0.80 0.16 1.05 0.07 0.00 0.00 179.01 181.70 1dmo h GLU 7 N 0.88 0.64 -0.99 1.06 4.11 -1.99 -0.51 114.58 117.78 1dmo h GLU 7 Ca 0.19 -0.12 0.11 0.00 0.07 0.00 0.00 59.36 59.61 1dmo h GLU 7 Cb 0.29 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.36 1dmo h GLU 7 CO -0.00 0.60 0.63 1.96 0.07 0.00 0.00 179.01 182.26 1dmo h GLN 8 N 0.54 0.97 0.00 1.06 4.20 -1.87 0.51 115.11 120.52 1dmo h GLN 8 Ca 0.14 -0.06 -0.06 0.00 0.06 0.00 0.00 58.65 58.73 1dmo h GLN 8 Cb 0.20 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 27.76 1dmo h GLN 8 CO -0.01 0.64 -0.31 0.82 -0.67 0.00 0.00 178.83 179.30 1dmo h ILE 9 N 1.00 0.89 -0.00 2.54 2.04 -0.91 -0.83 117.51 122.24 1dmo h ILE 9 Ca 0.48 -1.21 -0.00 0.00 1.00 0.00 0.00 64.86 65.13 1dmo h ILE 9 Cb 0.44 1.72 -0.00 0.00 -0.74 0.00 0.00 36.82 38.24 1dmo h ILE 9 CO -0.24 0.30 -0.01 0.00 0.00 0.00 0.00 178.15 178.21 1dmo h ALA 10 N 1.69 0.01 -0.18 1.87 0.00 0.16 -2.19 119.26 120.62 1dmo h ALA 10 Ca -0.00 -0.26 -0.06 0.00 0.00 0.00 0.00 54.91 54.58 1dmo h ALA 10 Cb 0.70 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1dmo h ALA 10 CO 0.04 -0.23 -0.17 1.49 0.00 0.00 0.00 179.25 180.38 1dmo h GLU 11 N -0.50 0.29 -0.67 0.00 4.81 -1.03 -2.25 114.58 115.24 1dmo h GLU 11 Ca 0.00 -0.08 -0.00 0.00 -0.13 0.00 0.00 59.36 59.15 1dmo h GLU 11 Cb 0.53 -0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 1dmo h GLU 11 CO 0.00 0.46 0.40 0.74 -0.73 0.00 0.00 179.01 179.88 1dmo h PHE 12 N 0.27 0.88 -0.78 0.92 -1.00 -1.06 -1.66 116.94 114.52 1dmo h PHE 12 Ca 0.05 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1dmo h PHE 12 Cb 0.46 -0.29 -0.04 0.00 3.61 0.00 0.00 35.95 39.70 1dmo h PHE 12 CO 0.01 0.60 0.41 -0.22 -1.61 0.00 0.00 178.31 177.50 1dmo h LYS 13 N 0.91 1.10 -0.40 1.51 1.63 -0.83 -0.91 116.57 119.59 1dmo h LYS 13 Ca 0.24 -0.14 0.08 0.00 -0.85 0.00 0.00 60.65 59.98 1dmo h LYS 13 Cb -0.02 -0.21 -0.08 0.00 -0.60 0.00 0.00 32.23 31.32 1dmo h LYS 13 CO -0.04 0.82 -0.13 1.49 -3.45 0.00 0.00 179.45 178.14 1dmo h GLU 14 N 1.09 -0.04 0.24 1.90 4.22 -0.88 0.23 114.58 121.34 1dmo h GLU 14 Ca 0.27 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.71 1dmo h GLU 14 Cb 0.06 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1dmo h GLU 14 CO -0.04 -0.03 -0.16 0.00 -2.18 0.00 0.00 179.01 176.60 1dmo h ALA 15 N 1.32 -0.38 -1.11 2.92 0.00 -0.86 0.33 119.26 121.48 1dmo h ALA 15 Ca 0.19 -0.07 0.31 0.00 0.00 0.00 0.00 54.91 55.34 1dmo h ALA 15 Cb 0.34 0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.25 1dmo h ALA 15 CO -0.43 -0.72 0.75 0.35 0.00 0.00 0.00 179.25 179.20 1dmo h PHE 16 N -0.39 0.39 0.13 0.00 3.57 0.04 0.35 116.94 121.03 1dmo h PHE 16 Ca -0.02 0.01 -0.29 0.00 3.53 0.00 0.00 57.97 61.20 1dmo h PHE 16 Cb 0.33 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 38.96 1dmo h PHE 16 CO -0.10 0.02 -1.39 0.77 -2.23 0.00 0.00 178.31 175.38 1dmo h SER 17 N 0.22 0.44 -0.51 0.41 0.02 0.81 -2.97 113.55 111.95 1dmo h SER 17 Ca 0.60 -0.52 0.15 0.00 -0.84 0.00 0.00 61.79 61.18 1dmo h SER 17 Cb 1.87 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 64.25 1dmo h SER 17 CO -0.19 1.42 0.40 -0.07 -1.14 0.00 0.00 176.83 177.25 1dmo h LEU 18 N 0.08 0.00 -3.21 5.07 3.38 0.35 0.10 115.31 121.08 1dmo h LEU 18 Ca -0.19 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 1dmo h LEU 18 Cb 2.01 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.73 1dmo h LEU 18 CO 0.19 0.00 -0.04 0.49 0.09 0.00 0.00 178.44 179.17 1dmo n PHE 19 N -4.19 0.72 -2.30 1.13 3.72 -0.97 -4.94 117.46 110.63 1dmo n PHE 19 Ca 0.09 -1.12 -0.34 0.00 -0.05 0.00 0.00 57.45 56.04 1dmo n PHE 19 Cb 0.62 -0.32 -0.04 0.00 -0.94 0.00 0.00 39.48 38.80 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 -2.37 5.80 -0.05 4.37 2.15 0.36 -4.70 116.67 122.23 1dmo s ASP 20 Ca 0.40 -1.03 0.14 0.00 0.43 0.00 0.00 52.55 52.50 1dmo s ASP 20 Cb 0.35 -2.56 -0.22 0.00 -0.30 0.00 0.00 42.92 40.18 1dmo s ASP 20 CO 0.04 -2.14 0.59 0.29 -0.17 0.00 0.00 175.17 173.78 1dmo n LYS 21 N 8.88 0.64 0.00 4.34 4.76 -1.26 -3.89 118.16 131.63 1dmo n LYS 21 Ca 0.36 0.23 0.00 0.00 -2.87 0.00 0.00 58.31 56.03 1dmo n LYS 21 Cb 0.49 -1.75 0.00 0.00 -1.84 0.00 0.00 35.03 31.93 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 -1.37 0.00 0.00 177.40 175.78 1dmo n ASP 22 N -2.96 0.00 0.00 4.39 9.92 -1.25 -4.74 116.55 121.91 1dmo n ASP 22 Ca -0.18 0.41 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 1dmo n ASP 22 Cb 1.03 -0.41 0.00 0.00 -0.64 0.00 0.00 41.12 41.10 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 23 N -1.41 2.82 0.05 0.44 0.00 -1.25 -4.76 105.19 101.07 1dmo n GLY 23 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 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 0.00 0.00 0.00 1.61 2.03 -1.87 -3.49 116.42 114.70 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 0.58 0.00 0.61 -1.03 0.00 0.00 179.24 179.40 1dmo n GLY 25 N 1.65 0.04 3.81 7.15 0.00 -1.26 -5.09 105.19 111.49 1dmo n GLY 25 Ca -0.05 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.63 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 0.00 4.02 0.41 2.61 -4.23 -1.26 -4.67 115.64 112.51 1dmo s THR 26 Ca 0.00 1.22 0.07 0.00 -1.18 0.00 0.00 61.69 61.81 1dmo s THR 26 Cb 0.00 -3.51 -0.05 0.00 1.34 0.00 0.00 72.50 70.28 1dmo s THR 26 CO 0.00 -0.30 0.19 0.27 -0.54 0.00 0.00 174.62 174.23 1dmo s ILE 27 N -2.10 2.36 -0.03 2.99 -4.36 -0.45 -3.86 121.20 115.75 1dmo s ILE 27 Ca 0.65 -1.68 -0.01 0.00 -0.26 0.00 0.00 60.65 59.35 1dmo s ILE 27 Cb -0.14 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.54 1dmo s ILE 27 CO 0.19 -0.01 0.07 0.42 0.24 0.00 0.00 174.94 175.85 1dmo s THR 28 N -2.58 4.71 0.63 8.37 -4.23 -1.26 -0.13 115.64 121.15 1dmo s THR 28 Ca 0.41 -0.33 0.16 0.00 -1.18 0.00 0.00 61.69 60.76 1dmo s THR 28 Cb 0.03 -3.11 0.24 0.00 1.34 0.00 0.00 72.50 71.00 1dmo s THR 28 CO 0.23 0.42 1.21 0.71 -0.54 0.00 0.00 174.62 176.65 1dmo h THR 29 N 3.46 0.01 -0.06 3.99 1.35 -1.88 0.82 112.91 120.59 1dmo h THR 29 Ca -0.50 0.00 -0.25 0.00 -0.55 0.00 0.00 66.41 65.11 1dmo h THR 29 Cb 1.19 0.03 0.02 0.00 -1.73 0.00 0.00 68.15 67.65 1dmo h THR 29 CO 0.60 0.00 -0.95 0.07 -0.25 0.00 0.00 175.52 174.99 1dmo h LYS 30 N 0.00 0.74 -0.00 4.72 2.10 -1.92 -3.14 116.57 119.07 1dmo h LYS 30 Ca 0.29 -0.72 0.00 0.00 -2.00 0.00 0.00 60.65 58.21 1dmo h LYS 30 Cb 2.50 0.19 0.00 0.00 -0.90 0.00 0.00 32.23 34.01 1dmo h LYS 30 CO -0.00 1.31 -0.14 0.39 -2.00 0.00 0.00 179.45 179.00 1dmo n GLU 31 N -3.88 0.05 -0.06 0.07 -0.58 0.28 -4.23 120.64 112.28 1dmo n GLU 31 Ca -0.10 -0.01 -0.05 0.00 -0.42 0.00 0.00 57.16 56.58 1dmo n GLU 31 Cb 0.83 -1.50 -0.04 0.00 -0.57 0.00 0.00 31.44 30.17 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 0.03 -0.74 -1.00 -4.62 5.85 -1.34 0.24 115.31 113.73 1dmo h LEU 32 Ca 0.00 0.10 0.36 0.00 0.84 0.00 0.00 57.88 59.18 1dmo h LEU 32 Cb 0.48 0.30 -0.16 0.00 0.37 0.00 0.00 40.66 41.66 1dmo h LEU 32 CO 0.00 -0.15 0.54 1.23 -0.34 0.00 0.00 178.44 179.72 1dmo h GLY 33 N -0.14 2.13 0.89 3.75 0.00 -1.77 0.36 103.07 108.29 1dmo h GLY 33 Ca 0.03 -0.19 -0.02 0.00 0.00 0.00 0.00 47.33 47.15 1dmo h GLY 33 CO -0.24 -0.62 0.08 -0.84 0.00 0.00 0.00 176.54 174.92 1dmo h THR 34 N 0.19 1.20 -0.11 4.70 2.02 -1.24 -2.51 112.91 117.15 1dmo h THR 34 Ca 0.78 -0.64 0.00 0.00 0.77 0.00 0.00 66.41 67.32 1dmo h THR 34 Cb 1.89 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 69.41 1dmo h THR 34 CO -0.68 0.21 0.07 0.58 0.37 0.00 0.00 175.52 176.07 1dmo h VAL 35 N 0.27 1.02 -1.00 3.16 2.07 0.71 -2.28 116.25 120.19 1dmo h VAL 35 Ca 0.09 -0.05 0.16 0.00 0.82 0.00 0.00 66.70 67.71 1dmo h VAL 35 Cb 0.24 0.87 -0.10 0.00 -1.52 0.00 0.00 31.29 30.78 1dmo h VAL 35 CO -0.00 0.03 0.62 0.24 0.02 0.00 0.00 177.57 178.48 1dmo h MET 36 N 0.14 0.85 -0.11 1.57 2.86 -1.20 0.18 114.93 119.22 1dmo h MET 36 Ca 0.04 -0.05 -0.08 0.00 -2.06 0.00 0.00 59.70 57.55 1dmo h MET 36 Cb -0.01 -0.19 -0.01 0.00 0.06 0.00 0.00 31.60 31.45 1dmo h MET 36 CO -0.02 0.56 -0.31 -0.09 1.06 0.00 0.00 176.91 178.12 1dmo h ARG 37 N 0.88 0.22 0.00 1.72 2.43 -0.97 -1.81 114.38 116.84 1dmo h ARG 37 Ca 0.54 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.63 1dmo h ARG 37 Cb 0.70 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1dmo h ARG 37 CO -0.32 0.51 0.00 0.77 -1.51 0.00 0.00 179.97 179.42 1dmo h SER 38 N 0.19 0.00 0.14 -3.80 0.02 -0.14 -3.10 113.55 106.86 1dmo h SER 38 Ca 0.03 0.00 -0.20 0.00 -0.84 0.00 0.00 61.79 60.77 1dmo h SER 38 Cb 0.64 0.00 0.02 0.00 0.14 0.00 0.00 62.40 63.21 1dmo h SER 38 CO 0.05 0.00 -0.88 -0.07 -1.14 0.00 0.00 176.83 174.79 1dmo h LEU 39 N 0.00 0.54 0.00 5.07 4.07 -0.57 -3.48 115.31 120.93 1dmo h LEU 39 Ca 0.00 -0.92 0.00 0.00 0.08 0.00 0.00 57.88 57.04 1dmo h LEU 39 Cb 0.53 -0.17 0.00 0.00 1.08 0.00 0.00 40.66 42.09 1dmo h LEU 39 CO 0.00 1.42 0.00 0.61 -1.08 0.00 0.00 178.44 179.39 1dmo n GLY 40 N 1.59 -1.87 3.45 0.83 0.00 -1.11 -5.08 105.19 103.01 1dmo n GLY 40 Ca -0.14 0.50 -0.22 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.74 1.60 -0.27 1.61 -1.52 -1.26 -4.94 119.66 114.14 1dmo s GLN 41 Ca 0.00 -1.82 -0.26 0.00 -1.95 0.00 0.00 55.36 51.33 1dmo s GLN 41 Cb 0.00 -1.24 0.00 0.00 -0.22 0.00 0.00 33.01 31.55 1dmo s GLN 41 CO 0.00 0.05 0.92 0.54 -0.25 0.00 0.00 175.29 176.55 1dmo s ASN 42 N -3.47 6.88 0.00 5.90 4.22 -1.26 -3.64 114.94 123.56 1dmo s ASN 42 Ca 0.30 1.03 0.00 0.00 -2.14 0.00 0.00 52.86 52.05 1dmo s ASN 42 Cb 0.04 -2.48 0.00 0.00 1.28 0.00 0.00 41.25 40.09 1dmo s ASN 42 CO 0.13 -0.66 0.00 -0.81 -2.04 0.00 0.00 177.10 173.72 1dmo n PRO 43 N 6.32 1.56 -4.52 3.55 -0.04 -1.26 -5.03 135.00 135.58 1dmo n PRO 43 Ca 0.08 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 1dmo n PRO 43 Cb 0.47 0.00 -0.17 0.00 -0.04 0.00 0.00 33.50 33.77 1dmo n PRO 43 CO 0.00 0.00 0.00 0.95 -0.04 0.00 0.00 175.50 176.41 1dmo s THR 44 N 0.00 1.57 0.56 0.52 -4.23 -1.26 -4.99 115.64 107.81 1dmo s THR 44 Ca 0.00 -0.69 0.46 0.00 -1.18 0.00 0.00 61.69 60.27 1dmo s THR 44 Cb 0.00 -1.43 0.67 0.00 1.34 0.00 0.00 72.50 73.09 1dmo s THR 44 CO 0.00 0.46 1.62 1.05 -0.54 0.00 0.00 174.62 177.21 1dmo h GLU 45 N 7.36 0.00 0.00 3.99 4.11 -1.98 0.21 114.58 128.27 1dmo h GLU 45 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.12 1dmo h GLU 45 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 1dmo h GLU 45 CO 0.50 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.58 1dmo n ALA 46 N -2.84 -0.15 -0.32 1.06 0.00 -1.26 -2.37 120.51 114.64 1dmo n ALA 46 Ca 0.38 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.97 1dmo n ALA 46 Cb 1.78 0.00 0.34 0.00 0.00 0.00 0.00 19.45 21.57 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 0.40 -0.72 0.00 4.57 -1.77 0.76 114.58 117.83 1dmo h GLU 47 Ca 0.00 -0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.30 1dmo h GLU 47 Cb 0.00 -0.09 -0.10 0.00 -0.16 0.00 0.00 28.75 28.40 1dmo h GLU 47 CO 0.00 0.27 0.20 1.25 -1.18 0.00 0.00 179.01 179.55 1dmo h LEU 48 N 0.41 0.08 -1.31 1.64 5.85 -0.70 0.37 115.31 121.65 1dmo h LEU 48 Ca 0.59 0.13 -0.05 0.00 0.84 0.00 0.00 57.88 59.39 1dmo h LEU 48 Cb 1.16 0.16 -0.01 0.00 0.37 0.00 0.00 40.66 42.34 1dmo h LEU 48 CO -0.54 0.00 -0.11 -0.61 -0.34 0.00 0.00 178.44 176.85 1dmo h GLN 49 N 0.31 0.33 -0.20 1.25 4.15 0.90 -2.18 115.11 119.67 1dmo h GLN 49 Ca 0.40 -0.08 -0.04 0.00 0.77 0.00 0.00 58.65 59.70 1dmo h GLN 49 Cb 0.65 -0.04 -0.01 0.00 0.21 0.00 0.00 27.48 28.28 1dmo h GLN 49 CO -0.47 0.45 -0.07 -0.44 -1.93 0.00 0.00 178.83 176.37 1dmo h ASP 50 N 0.32 0.29 -0.11 -0.69 3.32 0.42 -2.55 116.42 117.42 1dmo h ASP 50 Ca 0.06 -0.05 -0.22 0.00 0.02 0.00 0.00 57.03 56.84 1dmo h ASP 50 Cb 0.39 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 39.87 1dmo h ASP 50 CO 0.02 0.41 -0.77 0.24 -1.72 0.00 0.00 179.24 177.42 1dmo h MET 51 N 0.30 0.76 -0.09 3.56 2.86 -0.75 -3.26 114.93 118.31 1dmo h MET 51 Ca 0.06 -0.62 0.04 0.00 -2.06 0.00 0.00 59.70 57.12 1dmo h MET 51 Cb 0.32 0.13 -0.04 0.00 0.06 0.00 0.00 31.60 32.07 1dmo h MET 51 CO 0.02 1.23 -0.15 0.82 1.06 0.00 0.00 176.91 179.88 1dmo h ILE 52 N 0.52 0.61 0.00 -1.22 5.03 -1.13 0.26 117.51 121.58 1dmo h ILE 52 Ca -0.05 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.69 1dmo h ILE 52 Cb 1.39 0.61 0.00 0.00 -3.03 0.00 0.00 36.82 35.79 1dmo h ILE 52 CO 0.16 0.00 0.12 -3.20 -0.68 0.00 0.00 178.15 174.54 1dmo n ASN 53 N -5.29 0.11 -0.07 1.72 2.85 -1.06 -0.06 115.26 113.45 1dmo n ASN 53 Ca -0.04 0.46 -0.22 0.00 -0.11 0.00 0.00 54.58 54.68 1dmo n ASN 53 Cb 0.21 -0.46 -0.12 0.00 1.24 0.00 0.00 39.78 40.65 1dmo n ASN 53 CO 0.00 0.00 0.00 -0.08 -2.11 0.00 0.00 177.26 175.07 1dmo h GLU 54 N 0.00 0.08 0.00 1.20 4.81 -0.55 -3.38 114.58 116.74 1dmo h GLU 54 Ca 0.00 -0.14 -0.01 0.00 -0.13 0.00 0.00 59.36 59.08 1dmo h GLU 54 Cb 0.23 0.05 -0.00 0.00 0.63 0.00 0.00 28.75 29.67 1dmo h GLU 54 CO 0.00 1.07 -0.39 -0.39 -0.73 0.00 0.00 179.01 178.57 1dmo h VAL 55 N -0.69 0.03 -0.60 0.32 -1.51 -0.86 -3.29 116.25 109.66 1dmo h VAL 55 Ca -0.36 -1.05 -0.35 0.00 -1.23 0.00 0.00 66.70 63.71 1dmo h VAL 55 Cb 1.51 1.84 -0.18 0.00 -2.13 0.00 0.00 31.29 32.33 1dmo h VAL 55 CO -0.12 0.02 0.44 0.47 -1.23 0.00 0.00 177.57 177.15 1dmo n ASP 56 N -2.95 4.71 0.00 4.19 9.92 0.91 -4.52 116.55 128.82 1dmo n ASP 56 Ca 0.02 -3.06 0.00 0.00 -0.53 0.00 0.00 54.79 51.22 1dmo n ASP 56 Cb 0.55 -0.83 0.00 0.00 -0.64 0.00 0.00 41.12 40.20 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 -0.28 -0.03 0.72 2.24 0.00 -1.24 -1.40 120.51 120.53 1dmo n ALA 57 Ca 0.36 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.92 1dmo n ALA 57 Cb 0.97 0.30 0.49 0.00 0.00 0.00 0.00 19.45 21.20 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1dmo n ASP 58 N -1.69 0.30 0.00 0.00 9.92 -1.26 -4.88 116.55 118.94 1dmo n ASP 58 Ca 0.00 0.54 0.00 0.00 -0.53 0.00 0.00 54.79 54.80 1dmo n ASP 58 Cb 0.00 -0.62 0.00 0.00 -0.64 0.00 0.00 41.12 39.86 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 59 N 0.95 0.68 0.22 0.44 0.00 -0.50 -5.00 105.19 101.98 1dmo n GLY 59 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 2.35 -1.79 -3.46 115.58 114.19 1dmo h ASN 60 Ca 0.00 0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 1dmo h ASN 60 Cb 0.00 0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.56 1dmo h ASN 60 CO 0.00 -0.04 0.00 0.61 -1.65 0.00 0.00 177.43 176.35 1dmo n GLY 61 N -1.33 1.12 3.44 2.83 0.00 -1.26 -5.02 105.19 104.97 1dmo n GLY 61 Ca 0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.28 0.00 -0.03 2.61 -4.23 -1.26 -4.28 115.64 106.17 1dmo s THR 62 Ca 0.00 -1.64 0.03 0.00 -1.18 0.00 0.00 61.69 58.90 1dmo s THR 62 Cb 0.00 -2.36 0.00 0.00 1.34 0.00 0.00 72.50 71.49 1dmo s THR 62 CO 0.00 0.00 -0.10 -0.63 -0.54 0.00 0.00 174.62 173.35 1dmo s ILE 63 N -3.95 0.87 0.65 2.99 1.01 0.82 -4.83 121.20 118.76 1dmo s ILE 63 Ca 0.29 -0.39 -0.03 0.00 0.00 0.00 0.00 60.65 60.51 1dmo s ILE 63 Cb 0.02 -0.78 0.05 0.00 0.01 0.00 0.00 42.46 41.77 1dmo s ILE 63 CO 0.12 0.27 0.93 -0.62 0.00 0.00 0.00 174.94 175.63 1dmo s ASP 64 N 0.27 4.95 0.13 3.58 2.15 -1.26 -1.34 116.67 125.15 1dmo s ASP 64 Ca -0.05 0.24 -0.18 0.00 0.43 0.00 0.00 52.55 52.99 1dmo s ASP 64 Cb -0.10 -0.96 -0.03 0.00 -0.30 0.00 0.00 42.92 41.54 1dmo s ASP 64 CO 0.01 -1.45 1.77 0.15 -0.17 0.00 0.00 175.17 175.48 1dmo h PHE 65 N -0.35 0.26 0.42 -5.34 3.57 -1.97 -1.70 116.94 111.83 1dmo h PHE 65 Ca -0.43 0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.06 1dmo h PHE 65 Cb 1.31 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.97 1dmo h PHE 65 CO 0.31 0.15 -0.24 -1.00 -2.23 0.00 0.00 178.31 175.30 1dmo h PRO 66 N 0.29 -0.59 -1.01 6.41 0.13 -1.99 -1.03 132.00 134.20 1dmo h PRO 66 Ca 0.10 0.04 0.24 0.00 -0.87 0.00 0.00 66.00 65.51 1dmo h PRO 66 Cb 0.02 0.13 -0.10 0.00 0.13 0.00 0.00 31.00 31.18 1dmo h PRO 66 CO -0.06 -0.40 0.64 0.93 -0.23 0.00 0.00 178.00 178.88 1dmo h GLU 67 N -0.62 0.48 -0.04 0.86 5.08 -1.93 1.11 114.58 119.53 1dmo h GLU 67 Ca -0.05 -0.03 -0.09 0.00 -1.00 0.00 0.00 59.36 58.19 1dmo h GLU 67 Cb 0.49 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.62 1dmo h GLU 67 CO 0.06 0.32 -0.38 0.35 -1.00 0.00 0.00 179.01 178.36 1dmo h PHE 68 N 0.50 0.08 -0.06 4.33 3.04 -0.39 -2.75 116.94 121.70 1dmo h PHE 68 Ca 0.58 -0.02 -0.02 0.00 3.98 0.00 0.00 57.97 62.49 1dmo h PHE 68 Cb 1.30 -0.02 -0.00 0.00 2.56 0.00 0.00 35.95 39.79 1dmo h PHE 68 CO -0.00 0.45 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.62 1dmo h LEU 69 N 0.06 0.14 -0.73 0.59 3.38 0.25 -1.57 115.31 117.44 1dmo h LEU 69 Ca 0.01 -0.46 0.16 0.00 0.09 0.00 0.00 57.88 57.68 1dmo h LEU 69 Cb 0.71 -0.04 -0.11 0.00 0.09 0.00 0.00 40.66 41.30 1dmo h LEU 69 CO 0.05 0.57 0.12 0.74 0.09 0.00 0.00 178.44 180.02 1dmo h THR 70 N -0.28 0.47 0.00 0.22 2.02 -1.01 1.10 112.91 115.43 1dmo h THR 70 Ca 0.01 -0.07 -0.03 0.00 0.77 0.00 0.00 66.41 67.08 1dmo h THR 70 Cb 0.53 0.24 -0.00 0.00 -1.74 0.00 0.00 68.15 67.17 1dmo h THR 70 CO 0.01 0.04 -0.16 0.24 0.37 0.00 0.00 175.52 176.02 1dmo h MET 71 N 0.21 0.00 -0.04 6.66 2.86 -1.41 -2.69 114.93 120.53 1dmo h MET 71 Ca 0.41 0.00 -0.21 0.00 -2.06 0.00 0.00 59.70 57.83 1dmo h MET 71 Cb 0.70 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.36 1dmo h MET 71 CO -0.55 0.16 -0.86 1.98 1.06 0.00 0.00 176.91 178.71 1dmo h MET 72 N 0.00 0.46 -0.29 1.72 -1.53 0.21 -3.01 114.93 112.49 1dmo h MET 72 Ca -0.00 -0.44 -0.17 0.00 -3.44 0.00 0.00 59.70 55.65 1dmo h MET 72 Cb 0.67 0.11 -0.00 0.00 -0.55 0.00 0.00 31.60 31.83 1dmo h MET 72 CO 0.02 1.08 -0.48 0.00 0.14 0.00 0.00 176.91 177.68 1dmo h ALA 73 N 0.78 0.45 -0.79 0.39 0.00 -0.39 -2.33 119.26 117.37 1dmo h ALA 73 Ca -0.06 -0.49 0.02 0.00 0.00 0.00 0.00 54.91 54.39 1dmo h ALA 73 Cb 1.47 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 19.14 1dmo h ALA 73 CO 0.15 0.62 0.51 -0.09 0.00 0.00 0.00 179.25 180.44 1dmo h ARG 74 N 0.62 0.98 -0.26 0.00 2.43 -1.52 -0.78 114.38 115.83 1dmo h ARG 74 Ca 0.02 -0.06 -0.12 0.00 -0.81 0.00 0.00 59.98 59.02 1dmo h ARG 74 Cb 1.08 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 30.40 1dmo h ARG 74 CO 0.11 0.65 -0.32 -0.22 -1.51 0.00 0.00 179.97 178.67 1dmo h LYS 75 N 1.01 0.56 0.00 0.20 1.63 -1.48 -2.34 116.57 116.15 1dmo h LYS 75 Ca 0.31 -0.25 0.00 0.00 -0.85 0.00 0.00 60.65 59.86 1dmo h LYS 75 Cb -0.03 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.59 1dmo h LYS 75 CO -0.10 0.82 0.00 1.98 -3.45 0.00 0.00 179.45 178.70 1dmo h MET 76 N 0.48 0.00 -5.75 1.90 4.05 -0.78 -3.46 114.93 111.36 1dmo h MET 76 Ca 0.06 0.00 -0.42 0.00 -0.28 0.00 0.00 59.70 59.06 1dmo h MET 76 Cb 0.80 0.00 0.08 0.00 -0.80 0.00 0.00 31.60 31.68 1dmo h MET 76 CO 0.07 0.00 -0.68 1.17 0.23 0.00 0.00 176.91 177.69 1dmo n LYS 77 N -2.31 -6.81 -3.13 0.39 3.00 -0.37 -3.75 118.16 105.19 1dmo n LYS 77 Ca 0.03 0.77 -0.09 0.00 -0.00 0.00 0.00 58.31 59.02 1dmo n LYS 77 Cb 0.29 -5.76 0.01 0.00 0.00 0.00 0.00 35.03 29.57 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1dmo n ASP 78 N -2.88 -6.79 -0.05 3.14 -0.08 -1.21 -4.67 116.55 104.01 1dmo n ASP 78 Ca 0.00 0.52 0.00 0.00 -1.51 0.00 0.00 54.79 53.80 1dmo n ASP 78 Cb 0.56 -2.77 0.00 0.00 2.34 0.00 0.00 41.12 41.25 1dmo n ASP 78 CO 0.00 0.00 0.00 1.07 0.12 0.00 0.00 177.20 178.39 1dmo n THR 79 N 0.70 0.00 -2.66 5.18 5.66 -1.25 -4.84 114.28 117.07 1dmo n THR 79 Ca -0.01 0.00 -0.04 0.00 -3.05 0.00 0.00 64.05 60.95 1dmo n THR 79 Cb 0.43 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.22 1dmo n THR 79 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 1dmo n ASP 80 N -3.85 -1.27 -0.00 1.09 2.03 -1.26 -4.98 116.55 108.31 1dmo n ASP 80 Ca 0.00 -1.79 0.00 0.00 0.52 0.00 0.00 54.79 53.52 1dmo n ASP 80 Cb 0.00 1.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.41 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1dmo n SER 81 N -0.50 0.00 0.06 1.67 7.64 -1.26 -3.90 113.62 117.33 1dmo n SER 81 Ca -0.23 -1.12 0.17 0.00 1.01 0.00 0.00 58.87 58.70 1dmo n SER 81 Cb 0.68 -0.00 0.43 0.00 -1.01 0.00 0.00 64.21 64.31 1dmo n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1dmo h GLU 82 N 0.00 0.00 0.02 1.43 4.22 -1.94 -1.95 114.58 116.36 1dmo h GLU 82 Ca 0.00 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 59.44 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 -0.01 0.93 -2.18 0.00 0.00 179.01 177.75 1dmo h GLU 83 N 0.00 -0.02 -1.19 1.92 5.08 -2.00 -1.97 114.58 116.40 1dmo h GLU 83 Ca 0.24 0.00 0.34 0.00 -1.00 0.00 0.00 59.36 58.95 1dmo h GLU 83 Cb 2.04 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 31.25 1dmo h GLU 83 CO -0.00 -0.01 1.11 1.49 -1.00 0.00 0.00 179.01 180.59 1dmo h GLU 84 N -0.06 0.00 0.14 2.33 4.22 -1.70 0.13 114.58 119.64 1dmo h GLU 84 Ca -0.00 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.43 1dmo h GLU 84 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 1dmo h GLU 84 CO 0.00 0.00 -0.07 0.82 -2.18 0.00 0.00 179.01 177.59 1dmo h ILE 85 N 0.00 0.00 -0.92 2.32 2.04 -1.51 -2.48 117.51 116.96 1dmo h ILE 85 Ca 0.56 -0.81 0.23 0.00 1.00 0.00 0.00 64.86 65.85 1dmo h ILE 85 Cb 2.77 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 38.68 1dmo h ILE 85 CO -0.01 0.00 -0.02 -0.09 0.00 0.00 0.00 178.15 178.04 1dmo h ARG 86 N -0.99 0.04 -0.46 2.37 2.43 -0.17 0.56 114.38 118.16 1dmo h ARG 86 Ca -0.02 -0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1dmo h ARG 86 Cb 0.14 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 29.67 1dmo h ARG 86 CO 0.03 0.03 -0.01 1.49 -1.51 0.00 0.00 179.97 180.00 1dmo h GLU 87 N 0.04 0.81 -1.28 0.20 4.57 -1.55 -2.35 114.58 115.01 1dmo h GLU 87 Ca 0.52 -0.26 0.37 0.00 -1.18 0.00 0.00 59.36 58.81 1dmo h GLU 87 Cb 1.00 -0.07 -0.07 0.00 -0.16 0.00 0.00 28.75 29.45 1dmo h GLU 87 CO -0.86 0.87 0.90 0.00 -1.18 0.00 0.00 179.01 178.74 1dmo h ALA 88 N 0.91 3.03 0.06 2.92 0.00 0.61 0.81 119.26 127.60 1dmo h ALA 88 Ca 0.13 -0.01 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 1dmo h ALA 88 Cb 0.51 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1dmo h ALA 88 CO 0.02 -1.44 -0.82 0.74 0.00 0.00 0.00 179.25 177.75 1dmo h PHE 89 N 0.08 0.24 0.00 0.00 0.04 -0.98 -3.28 116.94 113.04 1dmo h PHE 89 Ca 0.65 -0.18 0.00 0.00 2.80 0.00 0.00 57.97 61.24 1dmo h PHE 89 Cb 2.36 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.50 1dmo h PHE 89 CO -0.00 1.32 0.37 0.00 -0.60 0.00 0.00 178.31 179.40 1dmo h ARG 90 N -0.67 0.00 -0.36 1.51 2.47 -0.39 0.19 114.38 117.13 1dmo h ARG 90 Ca -0.19 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.53 1dmo h ARG 90 Cb 1.41 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 29.72 1dmo h ARG 90 CO 0.01 0.00 0.19 0.28 0.56 0.00 0.00 179.97 181.01 1dmo h VAL 91 N 0.00 1.12 -0.40 2.04 2.07 -1.39 -1.99 116.25 117.70 1dmo h VAL 91 Ca 0.00 -0.30 0.00 0.00 0.82 0.00 0.00 66.70 67.22 1dmo h VAL 91 Cb 0.75 0.64 0.00 0.00 -1.52 0.00 0.00 31.29 31.16 1dmo h VAL 91 CO 0.00 0.13 0.00 0.49 0.02 0.00 0.00 177.57 178.21 1dmo n PHE 92 N -4.44 0.53 -1.35 1.57 3.72 0.64 -4.78 117.46 113.35 1dmo n PHE 92 Ca 0.02 -0.36 -0.41 0.00 -0.05 0.00 0.00 57.45 56.65 1dmo n PHE 92 Cb 0.10 -0.01 -0.03 0.00 -0.94 0.00 0.00 39.48 38.60 1dmo n PHE 92 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1dmo n ASP 93 N 1.07 3.58 -0.02 4.37 9.92 -0.75 -4.12 116.55 130.60 1dmo n ASP 93 Ca 0.16 -2.71 -0.03 0.00 -0.53 0.00 0.00 54.79 51.69 1dmo n ASP 93 Cb 0.50 -1.35 -0.02 0.00 -0.64 0.00 0.00 41.12 39.62 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 1dmo n LYS 94 N 6.24 0.08 -0.66 -1.24 5.02 -1.26 -4.63 118.16 121.71 1dmo n LYS 94 Ca 0.52 0.02 -0.02 0.00 -2.02 0.00 0.00 58.31 56.81 1dmo n LYS 94 Cb 0.37 -0.97 0.22 0.00 -0.02 0.00 0.00 35.03 34.62 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 -2.73 3.91 -3.14 4.39 2.03 -1.26 -4.65 116.55 115.11 1dmo n ASP 95 Ca -0.06 -2.76 0.05 0.00 0.52 0.00 0.00 54.79 52.54 1dmo n ASP 95 Cb 0.56 -0.66 0.00 0.00 -0.72 0.00 0.00 41.12 40.30 1dmo n ASP 95 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1dmo s GLY 96 N -0.51 -1.02 0.50 0.27 0.00 -1.26 -4.94 107.32 100.37 1dmo s GLY 96 Ca 0.36 1.88 0.46 0.00 0.00 0.00 0.00 44.72 47.42 1dmo s GLY 96 CO 0.09 4.04 1.42 1.16 0.00 0.00 0.00 173.10 179.81 1dmo n ASN 97 N 5.10 0.01 -2.70 1.64 6.94 -1.26 -1.78 115.26 123.21 1dmo n ASN 97 Ca 0.09 0.92 -0.04 0.00 -0.02 0.00 0.00 54.58 55.52 1dmo n ASN 97 Cb 0.57 -0.46 0.11 0.00 -2.36 0.00 0.00 39.78 37.64 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1dmo n GLY 98 N -1.83 1.78 3.13 4.83 0.00 -1.26 -5.01 105.19 106.83 1dmo n GLY 98 Ca 0.41 -0.37 -0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.66 -1.31 0.24 1.61 2.02 -0.73 -4.63 117.35 113.89 1dmo s TYR 99 Ca 0.17 1.51 -0.01 0.00 -0.37 0.00 0.00 57.07 58.36 1dmo s TYR 99 Cb 0.42 0.42 -0.04 0.00 -0.40 0.00 0.00 41.96 42.35 1dmo s TYR 99 CO -0.09 -0.79 0.45 0.96 -1.57 0.00 0.00 175.55 174.51 1dmo s ILE 100 N 2.76 5.15 0.15 2.71 -4.36 0.51 -4.10 121.20 124.02 1dmo s ILE 100 Ca 0.15 -0.30 -0.30 0.00 -0.26 0.00 0.00 60.65 59.94 1dmo s ILE 100 Cb -0.15 -3.75 -0.07 0.00 1.25 0.00 0.00 42.46 39.74 1dmo s ILE 100 CO -0.19 -0.27 1.10 -0.44 0.24 0.00 0.00 174.94 175.38 1dmo s SER 101 N -3.31 7.27 0.62 4.36 0.01 -1.26 0.42 113.70 121.80 1dmo s SER 101 Ca 0.40 2.05 0.27 0.00 1.31 0.00 0.00 55.95 59.98 1dmo s SER 101 Cb -0.11 -2.60 1.49 0.00 0.21 0.00 0.00 66.02 65.02 1dmo s SER 101 CO 0.30 -0.24 1.83 0.00 0.41 0.00 0.00 173.24 175.54 1dmo h ALA 102 N 5.38 1.32 0.15 1.44 0.00 -1.85 -1.43 119.26 124.28 1dmo h ALA 102 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1dmo h ALA 102 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dmo h ALA 102 CO 0.73 -0.32 -0.07 0.00 0.00 0.00 0.00 179.25 179.59 1dmo h ALA 103 N 1.31 -0.43 -0.44 0.00 0.00 -1.97 -1.86 119.26 115.86 1dmo h ALA 103 Ca 0.00 -0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.00 1dmo h ALA 103 Cb 0.67 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1dmo h ALA 103 CO 0.00 -0.42 0.47 0.93 0.00 0.00 0.00 179.25 180.23 1dmo h GLU 104 N -0.43 0.00 0.28 0.00 5.08 -1.81 -0.35 114.58 117.35 1dmo h GLU 104 Ca -0.02 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1dmo h GLU 104 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1dmo h GLU 104 CO 0.03 0.00 -0.14 1.25 -1.00 0.00 0.00 179.01 179.16 1dmo h LEU 105 N 0.00 -0.32 -1.96 1.33 6.46 -1.25 -1.64 115.31 117.92 1dmo h LEU 105 Ca 0.21 -0.20 0.35 0.00 -0.12 0.00 0.00 57.88 58.12 1dmo h LEU 105 Cb 1.15 0.08 -0.05 0.00 -0.73 0.00 0.00 40.66 41.11 1dmo h LEU 105 CO -0.00 0.07 0.86 -0.09 -0.62 0.00 0.00 178.44 178.66 1dmo h ARG 106 N -0.77 0.02 -0.01 1.25 2.43 -0.19 1.47 114.38 118.58 1dmo h ARG 106 Ca -0.04 -0.00 -0.20 0.00 -0.81 0.00 0.00 59.98 58.93 1dmo h ARG 106 Cb 0.50 -0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.04 1dmo h ARG 106 CO 0.06 0.01 -0.86 1.25 -1.51 0.00 0.00 179.97 178.93 1dmo h HIS 107 N 0.02 0.40 0.23 2.20 2.76 -1.21 -3.24 115.15 116.31 1dmo h HIS 107 Ca 0.58 -0.21 -0.01 0.00 -2.20 0.00 0.00 60.37 58.53 1dmo h HIS 107 Cb 2.27 -0.05 0.00 0.00 1.55 0.00 0.00 27.41 31.19 1dmo h HIS 107 CO -0.00 1.01 -0.11 0.28 -1.30 0.00 0.00 177.93 177.81 1dmo h VAL 108 N 0.16 0.80 0.00 5.26 2.07 0.30 -0.84 116.25 124.00 1dmo h VAL 108 Ca -0.05 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1dmo h VAL 108 Cb 1.47 0.91 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1dmo h VAL 108 CO 0.14 0.04 0.13 0.23 0.02 0.00 0.00 177.57 178.12 1dmo n MET 109 N -5.19 0.04 -0.02 1.57 2.00 -0.78 0.11 117.12 114.86 1dmo n MET 109 Ca -0.09 0.46 -0.11 0.00 0.00 0.00 0.00 57.70 57.96 1dmo n MET 109 Cb 0.18 -1.75 -0.14 0.00 0.00 0.00 0.00 33.22 31.51 1dmo n MET 109 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 175.97 178.38 1dmo n THR 110 N -1.63 1.63 0.10 2.03 -1.04 -0.37 -2.18 114.28 112.81 1dmo n THR 110 Ca -0.00 -0.77 -0.03 0.00 -2.04 0.00 0.00 64.05 61.20 1dmo n THR 110 Cb 0.14 -1.13 -0.03 0.00 -1.82 0.00 0.00 70.33 67.49 1dmo n THR 110 CO 0.00 0.00 0.00 -1.13 -0.64 0.00 0.00 175.07 173.30 1dmo h ASN 111 N 0.01 0.00 0.00 8.00 -0.00 0.18 -3.39 115.58 120.39 1dmo h ASN 111 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.98 1dmo h ASN 111 Cb 2.03 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 40.35 1dmo h ASN 111 CO 0.08 0.78 0.00 0.18 -0.00 0.00 0.00 177.43 178.47 1dmo n LEU 112 N -3.35 0.26 0.00 0.34 4.77 -0.93 -4.92 117.00 113.18 1dmo n LEU 112 Ca 0.01 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.66 1dmo n LEU 112 Cb 0.83 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 1dmo n LEU 112 CO 0.44 -0.41 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 1dmo n GLY 113 N 0.51 0.00 2.87 -0.72 0.00 -1.26 -5.03 105.19 101.57 1dmo n GLY 113 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1dmo n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dmo n GLU 114 N 0.00 -0.81 0.08 1.61 0.28 -0.93 -4.79 120.64 116.08 1dmo n GLU 114 Ca 0.00 0.46 -0.06 0.00 -0.16 0.00 0.00 57.16 57.40 1dmo n GLU 114 Cb 0.00 -1.05 0.08 0.00 1.43 0.00 0.00 31.44 31.90 1dmo n GLU 114 CO 0.00 0.00 0.00 -0.22 -0.16 0.00 0.00 177.13 176.75 1dmo h LYS 115 N 0.56 0.25 -5.79 3.44 3.64 -1.96 -3.43 116.57 113.28 1dmo h LYS 115 Ca -0.31 -0.19 -0.64 0.00 -1.27 0.00 0.00 60.65 58.24 1dmo h LYS 115 Cb 0.69 0.04 -0.31 0.00 -0.41 0.00 0.00 32.23 32.24 1dmo h LYS 115 CO 0.16 0.83 -0.87 -0.51 -2.27 0.00 0.00 179.45 176.79 1dmo s LEU 116 N -7.84 2.01 0.42 5.20 1.02 -1.26 -5.10 118.68 113.13 1dmo s LEU 116 Ca -0.04 -0.45 -0.25 0.00 0.02 0.00 0.00 54.13 53.41 1dmo s LEU 116 Cb 0.11 -1.22 -0.10 0.00 0.02 0.00 0.00 46.19 45.01 1dmo s LEU 116 CO 0.81 0.22 1.24 0.35 0.02 0.00 0.00 176.35 178.99 1dmo n THR 117 N 2.98 2.54 -0.24 5.49 -2.24 -1.26 -4.53 114.28 117.02 1dmo n THR 117 Ca -0.17 -0.50 0.31 0.00 -2.27 0.00 0.00 64.05 61.42 1dmo n THR 117 Cb 0.52 -1.52 0.60 0.00 -2.10 0.00 0.00 70.33 67.83 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 2.03 0.00 0.10 3.42 3.04 -1.98 0.46 116.42 123.49 1dmo h ASP 118 Ca -0.47 0.00 -0.00 0.00 -3.24 0.00 0.00 57.03 53.31 1dmo h ASP 118 Cb 1.30 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 39.59 1dmo h ASP 118 CO 0.60 0.00 -0.05 -0.33 -2.04 0.00 0.00 179.24 177.42 1dmo h GLU 119 N 0.00 -0.13 -0.52 4.15 3.07 -2.00 -2.30 114.58 116.86 1dmo h GLU 119 Ca 0.50 0.01 -0.02 0.00 -0.50 0.00 0.00 59.36 59.35 1dmo h GLU 119 Cb 2.59 0.03 -0.03 0.00 -0.84 0.00 0.00 28.75 30.50 1dmo h GLU 119 CO -0.01 0.39 0.25 0.93 -1.40 0.00 0.00 179.01 179.17 1dmo h GLU 120 N -0.80 0.73 -0.57 2.33 5.08 -0.51 -0.21 114.58 120.63 1dmo h GLU 120 Ca -0.01 -0.09 -0.04 0.00 -1.00 0.00 0.00 59.36 58.22 1dmo h GLU 120 Cb 0.57 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1dmo h GLU 120 CO 0.02 0.57 0.21 0.28 -1.00 0.00 0.00 179.01 179.10 1dmo h VAL 121 N 0.73 1.23 -0.32 3.13 2.07 -0.96 0.20 116.25 122.33 1dmo h VAL 121 Ca 0.18 -0.72 -0.11 0.00 0.82 0.00 0.00 66.70 66.87 1dmo h VAL 121 Cb 0.08 0.64 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 1dmo h VAL 121 CO -0.02 0.28 -0.23 -0.78 0.02 0.00 0.00 177.57 176.84 1dmo h ASP 122 N 0.78 0.75 0.04 0.57 1.82 -0.80 0.31 116.42 119.88 1dmo h ASP 122 Ca 0.19 -0.44 -0.06 0.00 -0.39 0.00 0.00 57.03 56.33 1dmo h ASP 122 Cb 0.22 -0.21 -0.01 0.00 0.68 0.00 0.00 39.33 40.01 1dmo h ASP 122 CO -0.01 1.03 -0.17 -0.08 -1.61 0.00 0.00 179.24 178.39 1dmo h GLU 123 N 0.47 0.27 0.12 0.28 4.22 -0.84 -2.52 114.58 116.59 1dmo h GLU 123 Ca 0.06 -0.07 -0.29 0.00 0.08 0.00 0.00 59.36 59.14 1dmo h GLU 123 Cb 0.78 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 30.00 1dmo h GLU 123 CO 0.06 0.44 -1.37 1.98 -2.18 0.00 0.00 179.01 177.94 1dmo h MET 124 N 0.25 0.26 -0.32 1.92 4.05 -0.40 -3.26 114.93 117.43 1dmo h MET 124 Ca 0.05 -0.45 0.02 0.00 -0.28 0.00 0.00 59.70 59.04 1dmo h MET 124 Cb 0.46 0.17 -0.02 0.00 -0.80 0.00 0.00 31.60 31.41 1dmo h MET 124 CO 0.03 1.17 0.21 0.82 0.23 0.00 0.00 176.91 179.37 1dmo h ILE 125 N 0.07 1.02 -0.07 1.77 2.04 -0.08 0.26 117.51 122.52 1dmo h ILE 125 Ca -0.18 -0.12 -0.02 0.00 1.00 0.00 0.00 64.86 65.54 1dmo h ILE 125 Cb 1.99 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.73 1dmo h ILE 125 CO 0.19 0.06 -0.07 -0.09 0.00 0.00 0.00 178.15 178.24 1dmo h ARG 126 N 0.34 0.11 -0.44 2.37 9.65 -1.50 -1.85 114.38 123.05 1dmo h ARG 126 Ca 0.13 -0.01 -0.14 0.00 -1.10 0.00 0.00 59.98 58.85 1dmo h ARG 126 Cb 0.09 -0.02 -0.09 0.00 -1.39 0.00 0.00 29.97 28.57 1dmo h ARG 126 CO -0.03 0.18 0.07 0.39 2.80 0.00 0.00 179.97 183.39 1dmo n GLU 127 N -4.40 2.65 -0.76 0.20 -0.58 -0.01 -4.54 120.64 113.19 1dmo n GLU 127 Ca -0.02 -3.03 -0.07 0.00 -0.42 0.00 0.00 57.16 53.62 1dmo n GLU 127 Cb 0.18 -1.93 -0.10 0.00 -0.57 0.00 0.00 31.44 29.02 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dmo n ALA 128 N -0.71 5.20 -2.87 0.62 0.00 -0.65 -4.55 120.51 117.55 1dmo n ALA 128 Ca 0.32 -1.11 -0.14 0.00 0.00 0.00 0.00 53.44 52.51 1dmo n ALA 128 Cb 1.10 -1.90 0.03 0.00 0.00 0.00 0.00 19.45 18.68 1dmo n ALA 128 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1dmo n ASN 129 N 2.21 -4.40 -4.97 0.00 5.15 -1.26 -4.18 115.26 107.81 1dmo n ASN 129 Ca 0.26 -0.23 -0.21 0.00 -0.60 0.00 0.00 54.58 53.80 1dmo n ASN 129 Cb 0.71 -3.17 -0.02 0.00 -0.53 0.00 0.00 39.78 36.78 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dmo s ILE 130 N -3.02 5.14 0.00 -1.44 1.01 -1.26 -4.78 121.20 116.84 1dmo s ILE 130 Ca 0.24 -0.93 0.00 0.00 0.00 0.00 0.00 60.65 59.96 1dmo s ILE 130 Cb -0.11 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.54 1dmo s ILE 130 CO 0.30 -0.34 0.00 0.47 0.00 0.00 0.00 174.94 175.37 1dmo n ASP 131 N -1.48 0.00 0.00 3.58 8.00 -1.26 -5.01 116.55 120.39 1dmo n ASP 131 Ca -0.08 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.42 1dmo n ASP 131 Cb 0.57 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.67 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 0.02 -0.06 0.11 0.44 0.00 -1.26 -5.04 105.19 99.42 1dmo n GLY 132 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.85 1dmo n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 133 N 0.00 0.33 -0.05 1.61 3.32 -1.97 -3.48 116.42 116.18 1dmo h ASP 133 Ca 0.00 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.50 1dmo h ASP 133 Cb 0.00 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.44 1dmo h ASP 133 CO 0.00 1.48 0.00 0.61 -1.72 0.00 0.00 179.24 179.61 1dmo n GLY 134 N 1.73 1.51 0.00 2.75 0.00 -1.26 -5.08 105.19 104.83 1dmo n GLY 134 Ca -0.20 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.77 0.00 -3.67 1.61 6.02 -1.26 -4.73 117.38 114.59 1dmo n GLN 135 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 1dmo n GLN 135 Cb 0.10 0.00 -0.09 0.00 1.02 0.00 0.00 30.24 31.27 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 -1.92 -0.01 -1.30 5.09 1.01 0.17 -4.57 120.40 118.86 1dmo s VAL 136 Ca 0.00 0.04 -0.17 0.00 0.00 0.00 0.00 61.98 61.85 1dmo s VAL 136 Cb 0.00 -0.80 0.08 0.00 0.00 0.00 0.00 36.38 35.66 1dmo s VAL 136 CO 0.00 0.02 1.75 -3.20 0.00 0.00 0.00 175.10 173.67 1dmo n ASN 137 N 4.13 4.88 -0.48 3.32 2.85 -1.26 -0.36 115.26 128.34 1dmo n ASN 137 Ca -0.21 -2.92 0.37 0.00 -0.11 0.00 0.00 54.58 51.71 1dmo n ASN 137 Cb 0.57 -1.71 0.59 0.00 1.24 0.00 0.00 39.78 40.47 1dmo n ASN 137 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1dmo n TYR 138 N 7.75 0.24 0.28 1.20 0.18 -1.26 -0.26 117.16 125.28 1dmo n TYR 138 Ca 0.48 0.24 -0.11 0.00 1.88 0.00 0.00 57.90 60.39 1dmo n TYR 138 Cb 0.45 -0.64 -0.05 0.00 -0.38 0.00 0.00 39.34 38.72 1dmo n TYR 138 CO 0.00 0.00 0.00 1.49 -2.08 0.00 0.00 176.86 176.27 1dmo h GLU 139 N 0.00 -0.68 -0.28 -3.48 4.81 -1.90 0.53 114.58 113.58 1dmo h GLU 139 Ca 0.71 0.05 0.08 0.00 -0.13 0.00 0.00 59.36 60.07 1dmo h GLU 139 Cb 2.63 0.15 -0.01 0.00 0.63 0.00 0.00 28.75 32.16 1dmo h GLU 139 CO -0.16 -0.45 0.49 0.93 -0.73 0.00 0.00 179.01 179.08 1dmo h GLU 140 N -0.71 0.00 0.03 1.92 4.39 -1.02 0.75 114.58 119.94 1dmo h GLU 140 Ca -0.07 0.00 -0.25 0.00 0.34 0.00 0.00 59.36 59.37 1dmo h GLU 140 Cb 0.54 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.20 1dmo h GLU 140 CO 0.12 0.00 -1.04 0.35 -1.16 0.00 0.00 179.01 177.27 1dmo h PHE 141 N 0.00 0.79 -0.01 4.33 3.04 -0.66 -2.74 116.94 121.68 1dmo h PHE 141 Ca 0.13 -0.45 0.00 0.00 3.98 0.00 0.00 57.97 61.64 1dmo h PHE 141 Cb 1.11 -0.08 -0.00 0.00 2.56 0.00 0.00 35.95 39.54 1dmo h PHE 141 CO 0.00 1.29 0.05 0.28 -2.02 0.00 0.00 178.31 177.90 1dmo h VAL 142 N 0.27 0.13 0.00 1.41 2.07 0.56 -1.67 116.25 119.03 1dmo h VAL 142 Ca -0.12 0.00 -0.18 0.00 0.82 0.00 0.00 66.70 67.22 1dmo h VAL 142 Cb 1.70 0.96 -0.03 0.00 -1.52 0.00 0.00 31.29 32.40 1dmo h VAL 142 CO 0.19 0.00 -1.11 0.00 0.02 0.00 0.00 177.57 176.67 1dmo n GLN 143 N -3.26 0.54 0.00 1.57 6.02 -1.14 -4.03 117.38 117.09 1dmo n GLN 143 Ca -0.03 0.57 0.01 0.00 -0.01 0.00 0.00 57.00 57.54 1dmo n GLN 143 Cb 0.12 -1.73 0.05 0.00 1.02 0.00 0.00 30.24 29.69 1dmo n GLN 143 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 1dmo n MET 144 N -4.47 0.01 0.12 -1.09 2.81 -1.04 -0.72 117.12 112.73 1dmo n MET 144 Ca -0.27 0.43 0.08 0.00 -1.81 0.00 0.00 57.70 56.13 1dmo n MET 144 Cb 0.59 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.63 1dmo n MET 144 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1dmo h MET 145 N 0.00 0.00 -2.11 0.03 2.86 -1.45 -3.35 114.93 110.91 1dmo h MET 145 Ca 0.00 0.00 -0.74 0.00 -2.06 0.00 0.00 59.70 56.90 1dmo h MET 145 Cb 0.03 0.00 -0.31 0.00 0.06 0.00 0.00 31.60 31.38 1dmo h MET 145 CO 0.00 0.12 0.55 2.41 1.06 0.00 0.00 176.91 181.04 1dmo n THR 146 N -2.89 4.48 -0.10 2.22 -1.04 0.10 -4.99 114.28 112.05 1dmo n THR 146 Ca -0.00 -5.34 0.00 0.00 -2.04 0.00 0.00 64.05 56.66 1dmo n THR 146 Cb 0.62 -1.41 0.00 0.00 -1.82 0.00 0.00 70.33 67.72 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 -0.27 0.00 1.71 2.41 0.00 -1.26 -5.05 120.51 118.05 1dmo n ALA 147 Ca 0.45 0.00 0.15 0.00 0.00 0.00 0.00 53.44 54.04 1dmo n ALA 147 Cb 0.32 0.00 0.70 0.00 0.00 0.00 0.00 19.45 20.47 1dmo n ALA 147 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86