#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 2.05 -0.34 0.00 5.75 -1.26 -5.04 116.55 117.71 1dmo n ASP 2 Ca 0.00 -1.69 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1dmo n ASP 2 Cb 0.00 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.07 1dmo n ASP 2 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dmo n GLN 3 N 0.60 0.00 -2.39 0.11 6.02 -1.26 -4.22 117.38 116.24 1dmo n GLN 3 Ca 0.17 0.00 -0.43 0.00 -0.01 0.00 0.00 57.00 56.73 1dmo n GLN 3 Cb 0.44 0.00 -0.02 0.00 1.02 0.00 0.00 30.24 31.68 1dmo n GLN 3 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1dmo s LEU 4 N 0.00 3.63 0.83 1.08 1.43 -1.26 -5.00 118.68 119.38 1dmo s LEU 4 Ca 0.00 0.82 -0.08 0.00 -1.03 0.00 0.00 54.13 53.84 1dmo s LEU 4 Cb 0.00 -3.54 0.15 0.00 0.03 0.00 0.00 46.19 42.83 1dmo s LEU 4 CO 0.00 -1.37 1.14 -0.89 0.23 0.00 0.00 176.35 175.46 1dmo s THR 5 N 5.17 2.09 0.08 5.49 2.01 -1.26 -4.76 115.64 124.45 1dmo s THR 5 Ca 0.59 -0.31 -0.24 0.00 0.31 0.00 0.00 61.69 62.04 1dmo s THR 5 Cb -0.13 -2.78 -0.10 0.00 0.01 0.00 0.00 72.50 69.50 1dmo s THR 5 CO 0.31 0.00 1.38 -0.08 -0.69 0.00 0.00 174.62 175.55 1dmo h GLU 6 N -1.02 -0.45 -0.55 4.92 4.81 -1.96 0.36 114.58 120.69 1dmo h GLU 6 Ca -0.41 0.03 0.11 0.00 -0.13 0.00 0.00 59.36 58.96 1dmo h GLU 6 Cb 1.26 0.10 -0.09 0.00 0.63 0.00 0.00 28.75 30.65 1dmo h GLU 6 CO 0.41 -0.30 0.02 1.49 -0.73 0.00 0.00 179.01 179.90 1dmo h GLU 7 N -0.47 0.13 -0.96 1.92 4.57 -1.98 0.64 114.58 118.43 1dmo h GLU 7 Ca 0.01 -0.01 0.12 0.00 -1.18 0.00 0.00 59.36 58.30 1dmo h GLU 7 Cb 0.50 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 1dmo h GLU 7 CO -0.25 0.09 0.61 0.37 -1.18 0.00 0.00 179.01 178.65 1dmo h GLN 8 N 0.14 0.89 0.00 1.92 5.75 -1.72 0.35 115.11 122.43 1dmo h GLN 8 Ca 0.28 -0.05 -0.11 0.00 -0.15 0.00 0.00 58.65 58.61 1dmo h GLN 8 Cb 0.43 -0.20 -0.02 0.00 1.07 0.00 0.00 27.48 28.77 1dmo h GLN 8 CO -0.45 0.59 -0.54 0.82 -2.65 0.00 0.00 178.83 176.60 1dmo h ILE 9 N 0.91 1.15 -0.41 2.39 2.04 0.35 -2.15 117.51 121.79 1dmo h ILE 9 Ca 0.47 -2.04 -0.13 0.00 1.00 0.00 0.00 64.86 64.16 1dmo h ILE 9 Cb 0.52 2.18 -0.01 0.00 -0.74 0.00 0.00 36.82 38.77 1dmo h ILE 9 CO -0.24 0.53 -0.25 0.00 0.00 0.00 0.00 178.15 178.20 1dmo h ALA 10 N 1.46 0.77 -0.03 1.87 0.00 0.39 -0.71 119.26 123.01 1dmo h ALA 10 Ca -0.01 -0.39 -0.17 0.00 0.00 0.00 0.00 54.91 54.34 1dmo h ALA 10 Cb 1.14 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.77 1dmo h ALA 10 CO 0.07 0.65 -0.73 1.49 0.00 0.00 0.00 179.25 180.74 1dmo h GLU 11 N 0.74 0.18 -0.48 0.00 4.57 -0.94 -2.33 114.58 116.33 1dmo h GLU 11 Ca 0.09 -0.16 -0.13 0.00 -1.18 0.00 0.00 59.36 57.98 1dmo h GLU 11 Cb 0.80 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 29.41 1dmo h GLU 11 CO 0.07 0.83 -0.22 0.74 -1.18 0.00 0.00 179.01 179.25 1dmo h PHE 12 N 0.12 1.14 -0.35 0.92 -1.00 -1.11 -2.73 116.94 113.93 1dmo h PHE 12 Ca -0.02 -0.28 -0.10 0.00 2.81 0.00 0.00 57.97 60.38 1dmo h PHE 12 Cb 1.29 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 40.57 1dmo h PHE 12 CO 0.02 1.10 -0.19 -0.22 -1.61 0.00 0.00 178.31 177.42 1dmo h LYS 13 N 0.85 0.66 -0.33 1.51 3.64 -1.06 -0.85 116.57 121.00 1dmo h LYS 13 Ca 0.11 -0.24 0.06 0.00 -1.27 0.00 0.00 60.65 59.31 1dmo h LYS 13 Cb 0.80 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.52 1dmo h LYS 13 CO 0.07 0.80 -0.00 0.93 -2.27 0.00 0.00 179.45 178.98 1dmo h GLU 14 N 0.58 0.09 0.32 1.90 5.08 -1.13 0.81 114.58 122.23 1dmo h GLU 14 Ca 0.09 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1dmo h GLU 14 Cb 0.65 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1dmo h GLU 14 CO 0.05 0.06 -0.15 0.00 -1.00 0.00 0.00 179.01 177.96 1dmo h ALA 15 N 1.28 -0.43 -0.57 3.43 0.00 -1.23 0.16 119.26 121.90 1dmo h ALA 15 Ca 0.16 -0.14 0.17 0.00 0.00 0.00 0.00 54.91 55.10 1dmo h ALA 15 Cb 0.21 0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dmo h ALA 15 CO -0.27 -0.67 0.52 0.35 0.00 0.00 0.00 179.25 179.18 1dmo h PHE 16 N -0.56 0.00 0.18 0.00 3.57 -0.46 0.08 116.94 119.74 1dmo h PHE 16 Ca -0.04 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.11 1dmo h PHE 16 Cb 0.42 0.00 0.01 0.00 2.79 0.00 0.00 35.95 39.16 1dmo h PHE 16 CO -0.02 0.00 -1.74 0.77 -2.23 0.00 0.00 178.31 175.09 1dmo h SER 17 N 0.00 0.59 -0.93 0.41 0.02 0.14 -3.23 113.55 110.54 1dmo h SER 17 Ca 0.27 -0.89 0.20 0.00 -0.84 0.00 0.00 61.79 60.53 1dmo h SER 17 Cb 1.32 -0.19 -0.08 0.00 0.14 0.00 0.00 62.40 63.59 1dmo h SER 17 CO -0.00 1.75 0.60 -0.07 -1.14 0.00 0.00 176.83 177.97 1dmo h LEU 18 N 0.10 0.53 -3.81 5.07 3.38 0.13 0.24 115.31 120.96 1dmo h LEU 18 Ca -0.34 0.06 -0.43 0.00 0.09 0.00 0.00 57.88 57.26 1dmo h LEU 18 Cb 2.09 -0.04 -0.25 0.00 0.09 0.00 0.00 40.66 42.55 1dmo h LEU 18 CO 0.17 0.21 0.43 0.49 0.09 0.00 0.00 178.44 179.84 1dmo n PHE 19 N -4.58 2.50 -1.95 1.13 3.72 -1.04 -5.01 117.46 112.23 1dmo n PHE 19 Ca 0.20 -1.83 -0.38 0.00 -0.05 0.00 0.00 57.45 55.40 1dmo n PHE 19 Cb 0.65 -0.83 0.02 0.00 -0.94 0.00 0.00 39.48 38.38 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 -1.71 5.54 0.00 4.37 2.15 0.84 -4.76 116.67 123.10 1dmo s ASP 20 Ca 0.54 2.58 0.25 0.00 0.43 0.00 0.00 52.55 56.35 1dmo s ASP 20 Cb 0.46 -2.62 1.16 0.00 -0.30 0.00 0.00 42.92 41.61 1dmo s ASP 20 CO 0.07 -1.37 1.79 1.17 -0.17 0.00 0.00 175.17 176.65 1dmo n LYS 21 N -0.92 1.44 -0.55 4.34 0.00 -1.24 -4.87 118.16 116.36 1dmo n LYS 21 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 58.31 57.76 1dmo n LYS 21 Cb 0.46 -1.43 0.00 0.00 0.00 0.00 0.00 35.03 34.06 1dmo n LYS 21 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93 1dmo n ASP 22 N -0.19 0.00 -0.00 3.14 -0.08 -1.26 -4.74 116.55 113.42 1dmo n ASP 22 Ca 0.18 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.25 1dmo n ASP 22 Cb 0.25 -1.82 -0.14 0.00 2.34 0.00 0.00 41.12 41.75 1dmo n ASP 22 CO 0.00 0.00 0.00 1.23 0.12 0.00 0.00 177.20 178.55 1dmo h GLY 23 N 0.00 0.24 0.00 0.27 0.00 -1.89 -3.45 103.07 98.24 1dmo h GLY 23 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 47.33 46.71 1dmo h GLY 23 CO 0.00 0.54 0.00 1.22 0.00 0.00 0.00 176.54 178.30 1dmo n ASP 24 N -4.00 0.00 0.00 0.19 8.00 -1.26 -5.01 116.55 114.47 1dmo n ASP 24 Ca -0.25 -0.08 0.00 0.00 0.71 0.00 0.00 54.79 55.17 1dmo n ASP 24 Cb 0.86 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.96 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 25 N 0.00 1.18 3.77 0.44 0.00 -1.26 -5.07 105.19 104.26 1dmo n GLY 25 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.54 3.11 0.42 2.61 -4.23 -1.26 -4.52 115.64 110.24 1dmo s THR 26 Ca 0.00 0.68 0.08 0.00 -1.18 0.00 0.00 61.69 61.26 1dmo s THR 26 Cb 0.00 -3.26 -0.03 0.00 1.34 0.00 0.00 72.50 70.55 1dmo s THR 26 CO 0.00 -0.17 0.32 0.27 -0.54 0.00 0.00 174.62 174.51 1dmo s ILE 27 N -1.80 2.56 -0.06 2.99 -4.36 -0.56 -3.65 121.20 116.31 1dmo s ILE 27 Ca 0.73 -1.44 -0.07 0.00 -0.26 0.00 0.00 60.65 59.60 1dmo s ILE 27 Cb -0.24 -3.00 -0.04 0.00 1.25 0.00 0.00 42.46 40.43 1dmo s ILE 27 CO 0.29 0.00 0.21 0.42 0.24 0.00 0.00 174.94 176.10 1dmo s THR 28 N -2.51 5.38 0.42 8.37 -4.23 -1.26 -0.34 115.64 121.48 1dmo s THR 28 Ca 0.46 0.24 0.36 0.00 -1.18 0.00 0.00 61.69 61.58 1dmo s THR 28 Cb -0.01 -3.50 0.54 0.00 1.34 0.00 0.00 72.50 70.87 1dmo s THR 28 CO 0.26 0.51 1.28 0.35 -0.54 0.00 0.00 174.62 176.49 1dmo n THR 29 N 1.61 -0.07 -0.01 3.99 -2.24 -1.26 0.15 114.28 116.45 1dmo n THR 29 Ca -0.16 1.31 -0.13 0.00 -2.27 0.00 0.00 64.05 62.80 1dmo n THR 29 Cb 0.54 -2.17 -0.10 0.00 -2.10 0.00 0.00 70.33 66.50 1dmo n THR 29 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 1dmo h LYS 30 N 0.00 -0.00 0.00 -0.78 3.64 -1.92 -2.58 116.57 114.93 1dmo h LYS 30 Ca 0.76 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 60.14 1dmo h LYS 30 Cb 2.85 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 34.67 1dmo h LYS 30 CO -0.14 0.45 0.00 0.39 -2.27 0.00 0.00 179.45 177.89 1dmo n GLU 31 N -4.87 0.04 0.06 1.90 -0.58 0.39 -3.47 120.64 114.11 1dmo n GLU 31 Ca -0.08 0.30 -0.05 0.00 -0.42 0.00 0.00 57.16 56.91 1dmo n GLU 31 Cb 0.23 -1.50 -0.03 0.00 -0.57 0.00 0.00 31.44 29.58 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 -0.39 -0.94 -4.62 5.85 -0.89 -0.56 115.31 113.75 1dmo h LEU 32 Ca 0.00 0.03 0.27 0.00 0.84 0.00 0.00 57.88 59.03 1dmo h LEU 32 Cb 0.14 0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.17 1dmo h LEU 32 CO 0.00 -0.17 0.41 1.23 -0.34 0.00 0.00 178.44 179.57 1dmo h GLY 33 N -0.25 1.72 1.01 3.75 0.00 -1.71 0.48 103.07 108.07 1dmo h GLY 33 Ca -0.01 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.17 1dmo h GLY 33 CO -0.04 -0.41 0.52 -0.84 0.00 0.00 0.00 176.54 175.77 1dmo h THR 34 N 0.29 1.22 -0.25 4.70 2.02 -1.61 -1.44 112.91 117.85 1dmo h THR 34 Ca 0.64 -0.43 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1dmo h THR 34 Cb 1.36 0.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 1dmo h THR 34 CO -0.62 0.22 -0.01 0.58 0.37 0.00 0.00 175.52 176.06 1dmo h VAL 35 N 1.11 1.26 -0.08 3.16 2.07 0.15 -2.42 116.25 121.49 1dmo h VAL 35 Ca 0.29 -0.92 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1dmo h VAL 35 Cb -0.09 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1dmo h VAL 35 CO -0.06 0.29 0.07 0.24 0.02 0.00 0.00 177.57 178.13 1dmo h MET 36 N 0.22 0.00 -0.13 1.57 2.86 -0.82 -1.04 114.93 117.58 1dmo h MET 36 Ca 0.07 0.00 -0.20 0.00 -2.06 0.00 0.00 59.70 57.51 1dmo h MET 36 Cb 0.43 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.09 1dmo h MET 36 CO 0.01 0.00 -0.74 0.00 1.06 0.00 0.00 176.91 177.24 1dmo h ARG 37 N 0.00 0.62 -0.09 1.72 3.08 -0.80 -3.13 114.38 115.78 1dmo h ARG 37 Ca 0.04 -0.49 -0.09 0.00 0.07 0.00 0.00 59.98 59.51 1dmo h ARG 37 Cb 0.18 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.32 1dmo h ARG 37 CO -0.00 1.12 -0.35 0.77 -1.07 0.00 0.00 179.97 180.43 1dmo h SER 38 N 0.42 0.17 -0.17 7.04 0.02 -0.81 -3.12 113.55 117.10 1dmo h SER 38 Ca -0.04 -0.06 0.04 0.00 -0.84 0.00 0.00 61.79 60.89 1dmo h SER 38 Cb 1.34 -0.05 -0.05 0.00 0.14 0.00 0.00 62.40 63.79 1dmo h SER 38 CO 0.14 0.52 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.16 1dmo h LEU 39 N 0.15 -0.38 0.00 5.07 4.07 -1.38 -3.46 115.31 119.37 1dmo h LEU 39 Ca 0.02 0.08 0.00 0.00 0.08 0.00 0.00 57.88 58.06 1dmo h LEU 39 Cb 0.70 0.20 0.00 0.00 1.08 0.00 0.00 40.66 42.64 1dmo h LEU 39 CO 0.05 -0.16 0.00 0.61 -1.08 0.00 0.00 178.44 177.87 1dmo n GLY 40 N -1.27 0.00 3.22 0.83 0.00 -1.18 -5.07 105.19 101.72 1dmo n GLY 40 Ca -0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.89 -0.54 1.61 -0.21 -1.24 -5.10 119.66 115.07 1dmo s GLN 41 Ca 0.00 -1.01 0.04 0.00 0.02 0.00 0.00 55.36 54.41 1dmo s GLN 41 Cb 0.00 0.34 0.15 0.00 1.00 0.00 0.00 33.01 34.50 1dmo s GLN 41 CO 0.00 -0.29 0.33 1.21 -2.12 0.00 0.00 175.29 174.42 1dmo s ASN 42 N -2.88 4.01 0.51 5.90 3.04 -1.26 -4.02 114.94 120.23 1dmo s ASN 42 Ca 0.07 -3.15 0.00 0.00 0.04 0.00 0.00 52.86 49.82 1dmo s ASN 42 Cb 0.05 -1.35 0.00 0.00 -1.54 0.00 0.00 41.25 38.41 1dmo s ASN 42 CO -0.09 -0.19 0.00 -2.65 -3.04 0.00 0.00 177.10 171.13 1dmo n PRO 43 N 2.88 -0.31 -4.91 0.43 -0.02 -1.26 -5.03 135.00 126.78 1dmo n PRO 43 Ca 0.13 0.00 -0.30 0.00 -2.02 0.00 0.00 63.50 61.31 1dmo n PRO 43 Cb 0.35 0.00 -0.17 0.00 -0.02 0.00 0.00 33.50 33.66 1dmo n PRO 43 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1dmo s THR 44 N -0.51 1.75 0.65 3.45 -4.23 -1.26 -4.98 115.64 110.52 1dmo s THR 44 Ca 0.00 -0.83 0.17 0.00 -1.18 0.00 0.00 61.69 59.85 1dmo s THR 44 Cb 0.00 -1.54 0.20 0.00 1.34 0.00 0.00 72.50 72.50 1dmo s THR 44 CO 0.00 0.49 1.44 -0.33 -0.54 0.00 0.00 174.62 175.68 1dmo h GLU 45 N 6.93 0.00 0.00 3.99 5.08 -1.98 0.69 114.58 129.29 1dmo h GLU 45 Ca -0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.11 1dmo h GLU 45 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1dmo h GLU 45 CO 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.49 1dmo n ALA 46 N -1.84 -0.04 -0.33 3.43 0.00 -1.26 -2.35 120.51 118.12 1dmo n ALA 46 Ca 0.04 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.62 1dmo n ALA 46 Cb 0.85 0.00 0.33 0.00 0.00 0.00 0.00 19.45 20.63 1dmo n ALA 46 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1dmo h GLU 47 N 0.00 0.56 -0.38 0.00 4.39 -1.81 0.46 114.58 117.80 1dmo h GLU 47 Ca 0.00 -0.03 0.08 0.00 0.34 0.00 0.00 59.36 59.74 1dmo h GLU 47 Cb 0.00 -0.13 -0.08 0.00 -0.10 0.00 0.00 28.75 28.45 1dmo h GLU 47 CO 0.00 0.37 -0.13 1.25 -1.16 0.00 0.00 179.01 179.34 1dmo h LEU 48 N 0.58 -0.46 -1.13 1.33 5.85 -1.01 0.96 115.31 121.43 1dmo h LEU 48 Ca 0.59 0.13 0.02 0.00 0.84 0.00 0.00 57.88 59.45 1dmo h LEU 48 Cb 1.04 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 42.30 1dmo h LEU 48 CO -0.45 -0.17 0.59 1.56 -0.34 0.00 0.00 178.44 179.63 1dmo h GLN 49 N -0.05 1.13 -0.83 1.25 1.08 0.25 -1.02 115.11 116.92 1dmo h GLN 49 Ca 0.19 -0.07 0.16 0.00 -1.45 0.00 0.00 58.65 57.48 1dmo h GLN 49 Cb 0.34 -0.26 -0.06 0.00 -0.05 0.00 0.00 27.48 27.45 1dmo h GLN 49 CO -0.42 0.75 0.55 0.22 -0.95 0.00 0.00 178.83 178.98 1dmo h ASP 50 N 1.17 0.49 -0.03 1.46 1.82 0.61 -0.48 116.42 121.46 1dmo h ASP 50 Ca 0.34 0.03 -0.21 0.00 -0.39 0.00 0.00 57.03 56.81 1dmo h ASP 50 Cb -0.07 -0.06 0.02 0.00 0.68 0.00 0.00 39.33 39.89 1dmo h ASP 50 CO -0.09 0.24 -0.79 0.24 -1.61 0.00 0.00 179.24 177.24 1dmo h MET 51 N 0.52 0.58 -0.62 0.28 2.86 -0.59 -3.19 114.93 114.77 1dmo h MET 51 Ca 0.42 -0.59 0.06 0.00 -2.06 0.00 0.00 59.70 57.53 1dmo h MET 51 Cb 0.86 0.16 -0.04 0.00 0.06 0.00 0.00 31.60 32.64 1dmo h MET 51 CO -0.16 1.21 0.41 0.82 1.06 0.00 0.00 176.91 180.24 1dmo h ILE 52 N 0.19 1.00 0.00 -1.22 5.03 -0.59 0.14 117.51 122.05 1dmo h ILE 52 Ca -0.09 -0.21 0.00 0.00 -0.12 0.00 0.00 64.86 64.44 1dmo h ILE 52 Cb 1.46 0.34 0.00 0.00 -3.03 0.00 0.00 36.82 35.58 1dmo h ILE 52 CO 0.16 0.11 0.00 0.78 -0.68 0.00 0.00 178.15 178.52 1dmo h ASN 53 N 0.61 0.00 0.04 1.72 -0.26 -1.19 -2.17 115.58 114.33 1dmo h ASN 53 Ca 0.27 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.73 1dmo h ASN 53 Cb 0.29 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.52 1dmo h ASN 53 CO -0.08 0.00 -1.55 1.21 -1.06 0.00 0.00 177.43 175.95 1dmo n GLU 54 N -2.38 0.63 0.24 0.81 2.13 0.44 -4.19 120.64 118.31 1dmo n GLU 54 Ca 0.01 0.47 0.12 0.00 0.66 0.00 0.00 57.16 58.42 1dmo n GLU 54 Cb 0.22 -1.72 0.56 0.00 0.27 0.00 0.00 31.44 30.76 1dmo n GLU 54 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1dmo h VAL 55 N -0.67 0.43 -0.57 6.31 -1.51 -1.42 -2.85 116.25 115.97 1dmo h VAL 55 Ca -0.39 -0.89 -0.32 0.00 -1.23 0.00 0.00 66.70 63.87 1dmo h VAL 55 Cb 1.54 1.64 -0.18 0.00 -2.13 0.00 0.00 31.29 32.16 1dmo h VAL 55 CO -0.13 0.16 0.41 0.47 -1.23 0.00 0.00 177.57 177.25 1dmo n ASP 56 N -3.36 4.28 0.03 4.19 9.92 -0.82 -4.44 116.55 126.34 1dmo n ASP 56 Ca -0.00 -3.00 -0.02 0.00 -0.53 0.00 0.00 54.79 51.24 1dmo n ASP 56 Cb 0.37 -0.79 -0.01 0.00 -0.64 0.00 0.00 41.12 40.05 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1dmo h ALA 57 N 1.46 -0.19 0.48 2.24 0.00 -1.68 -3.38 119.26 118.19 1dmo h ALA 57 Ca 0.36 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.23 1dmo h ALA 57 Cb 1.77 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 1dmo h ALA 57 CO 0.71 -0.18 -0.36 0.22 0.00 0.00 0.00 179.25 179.63 1dmo h ASP 58 N -0.71 -0.95 0.00 0.00 3.58 -1.85 -3.47 116.42 113.03 1dmo h ASP 58 Ca -0.01 0.07 0.00 0.00 0.42 0.00 0.00 57.03 57.50 1dmo h ASP 58 Cb 0.11 0.30 0.00 0.00 1.72 0.00 0.00 39.33 41.46 1dmo h ASP 58 CO 0.02 -0.54 0.00 0.61 -2.88 0.00 0.00 179.24 176.46 1dmo n GLY 59 N -1.48 -0.16 0.14 -0.78 0.00 -1.26 -5.08 105.19 96.56 1dmo n GLY 59 Ca -0.11 -0.11 -0.26 0.00 0.00 0.00 0.00 46.02 45.54 1dmo n GLY 59 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 60 N 0.00 1.97 0.00 1.61 4.13 -1.26 -4.98 115.26 116.72 1dmo n ASN 60 Ca 0.00 0.19 0.00 0.00 1.68 0.00 0.00 54.58 56.45 1dmo n ASN 60 Cb 0.00 -0.70 0.00 0.00 -1.54 0.00 0.00 39.78 37.54 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1dmo n GLY 61 N 1.58 0.74 3.39 7.41 0.00 -1.26 -4.98 105.19 112.07 1dmo n GLY 61 Ca -0.51 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.00 0.00 -0.04 2.61 -4.23 -1.26 -3.99 115.64 105.73 1dmo s THR 62 Ca 0.00 -1.72 0.02 0.00 -1.18 0.00 0.00 61.69 58.81 1dmo s THR 62 Cb 0.00 -2.38 0.02 0.00 1.34 0.00 0.00 72.50 71.47 1dmo s THR 62 CO 0.00 0.00 -0.06 -0.63 -0.54 0.00 0.00 174.62 173.39 1dmo s ILE 63 N -4.00 0.61 0.75 2.99 1.01 0.54 -4.79 121.20 118.31 1dmo s ILE 63 Ca 0.31 -0.21 -0.10 0.00 0.00 0.00 0.00 60.65 60.66 1dmo s ILE 63 Cb 0.03 -0.60 0.06 0.00 0.01 0.00 0.00 42.46 41.96 1dmo s ILE 63 CO 0.12 0.23 1.10 -1.81 0.00 0.00 0.00 174.94 174.57 1dmo s ASP 64 N 0.64 4.80 0.13 3.58 1.01 -1.26 -1.50 116.67 124.08 1dmo s ASP 64 Ca -0.09 0.72 -0.15 0.00 0.71 0.00 0.00 52.55 53.74 1dmo s ASP 64 Cb -0.12 -1.34 0.00 0.00 1.01 0.00 0.00 42.92 42.47 1dmo s ASP 64 CO 0.01 -1.68 1.64 0.15 0.21 0.00 0.00 175.17 175.50 1dmo h PHE 65 N -0.81 0.71 -0.45 4.23 3.57 -1.96 -0.17 116.94 122.07 1dmo h PHE 65 Ca -0.45 -0.08 -0.06 0.00 3.53 0.00 0.00 57.97 60.91 1dmo h PHE 65 Cb 1.31 -0.20 -0.02 0.00 2.79 0.00 0.00 35.95 39.83 1dmo h PHE 65 CO 0.35 0.66 0.03 -1.00 -2.23 0.00 0.00 178.31 176.12 1dmo h PRO 66 N 0.56 0.72 -0.10 6.41 0.13 -1.99 0.10 132.00 137.82 1dmo h PRO 66 Ca 0.14 -0.17 -0.11 0.00 -0.87 0.00 0.00 66.00 64.99 1dmo h PRO 66 Cb 0.30 -0.10 -0.01 0.00 0.13 0.00 0.00 31.00 31.32 1dmo h PRO 66 CO -0.00 0.71 -0.43 1.49 -0.23 0.00 0.00 178.00 179.55 1dmo h GLU 67 N 0.68 0.24 -0.16 0.86 4.57 -1.88 -1.97 114.58 116.92 1dmo h GLU 67 Ca 0.14 -0.12 -0.15 0.00 -1.18 0.00 0.00 59.36 58.06 1dmo h GLU 67 Cb 0.38 -0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.96 1dmo h GLU 67 CO 0.01 0.63 -0.52 0.35 -1.18 0.00 0.00 179.01 178.30 1dmo h PHE 68 N 0.20 0.54 0.17 0.92 3.57 0.12 -2.68 116.94 119.78 1dmo h PHE 68 Ca 0.02 -0.18 -0.01 0.00 3.53 0.00 0.00 57.97 61.32 1dmo h PHE 68 Cb 0.84 -0.11 0.00 0.00 2.79 0.00 0.00 35.95 39.47 1dmo h PHE 68 CO 0.01 0.87 -0.08 -0.07 -2.23 0.00 0.00 178.31 176.81 1dmo h LEU 69 N 0.34 -0.19 -0.39 0.59 3.38 -0.28 0.44 115.31 119.20 1dmo h LEU 69 Ca 0.01 -0.07 0.08 0.00 0.09 0.00 0.00 57.88 57.99 1dmo h LEU 69 Cb 1.03 0.05 -0.08 0.00 0.09 0.00 0.00 40.66 41.75 1dmo h LEU 69 CO 0.09 -0.05 -0.14 0.74 0.09 0.00 0.00 178.44 179.17 1dmo h THR 70 N -0.33 0.53 -0.75 0.22 2.02 -1.32 0.49 112.91 113.78 1dmo h THR 70 Ca -0.02 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.14 1dmo h THR 70 Cb 0.25 0.53 -0.04 0.00 -1.74 0.00 0.00 68.15 67.16 1dmo h THR 70 CO 0.04 0.00 0.38 0.24 0.37 0.00 0.00 175.52 176.55 1dmo h MET 71 N -0.06 1.05 -0.14 6.66 2.86 -1.29 -1.61 114.93 122.40 1dmo h MET 71 Ca 0.19 -0.13 -0.09 0.00 -2.06 0.00 0.00 59.70 57.61 1dmo h MET 71 Cb 0.35 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.79 1dmo h MET 71 CO -0.43 0.79 -0.30 1.98 1.06 0.00 0.00 176.91 180.01 1dmo h MET 72 N 1.05 0.26 -0.30 1.72 -1.53 0.12 -2.97 114.93 113.28 1dmo h MET 72 Ca 0.26 -0.10 -0.08 0.00 -3.44 0.00 0.00 59.70 56.34 1dmo h MET 72 Cb 0.07 -0.02 -0.01 0.00 -0.55 0.00 0.00 31.60 31.09 1dmo h MET 72 CO -0.04 0.54 -0.13 0.00 0.14 0.00 0.00 176.91 177.42 1dmo h ALA 73 N 1.46 0.43 0.05 0.39 0.00 0.81 -2.98 119.26 119.42 1dmo h ALA 73 Ca 0.03 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.65 1dmo h ALA 73 Cb 0.65 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1dmo h ALA 73 CO 0.05 0.30 -0.27 -0.09 0.00 0.00 0.00 179.25 179.24 1dmo h ARG 74 N 0.38 -0.43 0.00 0.00 2.43 -1.24 3.57 114.38 119.10 1dmo h ARG 74 Ca 0.07 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.27 1dmo h ARG 74 Cb 0.64 0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1dmo h ARG 74 CO 0.04 -0.29 0.00 1.63 -1.51 0.00 0.00 179.97 179.84 1dmo n LYS 75 N -5.38 0.23 -0.05 0.20 4.76 -1.16 -1.32 118.16 115.44 1dmo n LYS 75 Ca -0.06 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.38 1dmo n LYS 75 Cb 0.30 -1.37 0.00 0.00 -1.84 0.00 0.00 35.03 32.11 1dmo n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1dmo n MET 76 N -0.87 0.06 0.12 1.97 2.81 0.20 -4.77 117.12 116.64 1dmo n MET 76 Ca 0.04 -0.58 0.09 0.00 -1.81 0.00 0.00 57.70 55.45 1dmo n MET 76 Cb 0.02 -0.51 0.46 0.00 -0.71 0.00 0.00 33.22 32.48 1dmo n MET 76 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65 1dmo n LYS 77 N -0.01 0.12 -4.34 0.03 4.81 1.13 -4.34 118.16 115.55 1dmo n LYS 77 Ca 0.00 0.56 -0.34 0.00 -0.87 0.00 0.00 58.31 57.66 1dmo n LYS 77 Cb 0.52 -1.85 -0.11 0.00 0.02 0.00 0.00 35.03 33.61 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dmo s ASP 78 N -3.85 5.06 0.90 3.14 1.11 -1.26 -4.91 116.67 116.86 1dmo s ASP 78 Ca -0.00 -0.01 -0.01 0.00 0.18 0.00 0.00 52.55 52.71 1dmo s ASP 78 Cb 0.06 -1.69 0.02 0.00 1.07 0.00 0.00 42.92 42.37 1dmo s ASP 78 CO 0.20 0.24 0.03 1.07 1.18 0.00 0.00 175.17 177.90 1dmo n THR 79 N 3.07 0.00 0.32 -1.27 5.66 -1.26 -4.63 114.28 116.18 1dmo n THR 79 Ca -0.18 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.82 1dmo n THR 79 Cb 0.53 -0.04 0.00 0.00 -1.55 0.00 0.00 70.33 69.27 1dmo n THR 79 CO 0.00 0.00 0.00 0.47 -3.05 0.00 0.00 175.07 172.49 1dmo n ASP 80 N -2.73 0.34 -1.82 1.09 8.00 -1.26 -4.70 116.55 115.47 1dmo n ASP 80 Ca 0.01 -0.65 0.00 0.00 0.71 0.00 0.00 54.79 54.86 1dmo n ASP 80 Cb 0.02 -0.16 0.00 0.00 -0.02 0.00 0.00 41.12 40.96 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 1dmo n SER 81 N 0.35 -0.57 -0.03 -2.24 3.41 -1.26 -4.62 113.62 108.66 1dmo n SER 81 Ca 0.00 0.29 0.21 0.00 -0.26 0.00 0.00 58.87 59.11 1dmo n SER 81 Cb 0.08 -0.76 0.45 0.00 -0.26 0.00 0.00 64.21 63.73 1dmo n SER 81 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 1dmo h GLU 82 N 0.00 0.00 -0.06 4.33 -0.00 -1.90 0.86 114.58 117.80 1dmo h GLU 82 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 59.36 59.33 1dmo h GLU 82 Cb 0.57 0.00 -0.00 0.00 -0.00 0.00 0.00 28.75 29.32 1dmo h GLU 82 CO 0.00 0.00 -0.09 1.05 -0.00 0.00 0.00 179.01 179.97 1dmo h GLU 83 N 0.00 0.17 -0.93 1.06 4.11 -1.97 0.11 114.58 117.14 1dmo h GLU 83 Ca 0.32 -0.10 -0.01 0.00 0.07 0.00 0.00 59.36 59.64 1dmo h GLU 83 Cb 2.26 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 31.48 1dmo h GLU 83 CO -0.00 0.66 0.55 1.49 0.07 0.00 0.00 179.01 181.77 1dmo h GLU 84 N -0.30 1.27 -0.14 1.06 4.57 0.39 -2.32 114.58 119.11 1dmo h GLU 84 Ca 0.01 -0.12 -0.04 0.00 -1.18 0.00 0.00 59.36 58.02 1dmo h GLU 84 Cb 0.64 -0.26 -0.00 0.00 -0.16 0.00 0.00 28.75 28.96 1dmo h GLU 84 CO 0.02 0.89 -0.07 0.82 -1.18 0.00 0.00 179.01 179.50 1dmo h ILE 85 N 1.28 1.32 -0.76 2.32 2.04 -1.37 -2.64 117.51 119.70 1dmo h ILE 85 Ca 0.33 -1.11 0.17 0.00 1.00 0.00 0.00 64.86 65.25 1dmo h ILE 85 Cb -0.04 1.77 -0.12 0.00 -0.74 0.00 0.00 36.82 37.69 1dmo h ILE 85 CO -0.06 0.32 0.14 -0.09 0.00 0.00 0.00 178.15 178.46 1dmo h ARG 86 N -0.06 0.21 -0.51 2.37 2.43 -0.43 0.13 114.38 118.52 1dmo h ARG 86 Ca 0.03 -0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.16 1dmo h ARG 86 Cb 0.54 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.02 1dmo h ARG 86 CO 0.02 0.14 0.21 1.49 -1.51 0.00 0.00 179.97 180.31 1dmo h GLU 87 N 0.21 0.76 -1.02 0.20 4.57 -1.34 -1.42 114.58 116.55 1dmo h GLU 87 Ca 0.43 -0.14 0.30 0.00 -1.18 0.00 0.00 59.36 58.77 1dmo h GLU 87 Cb 0.77 -0.12 -0.14 0.00 -0.16 0.00 0.00 28.75 29.10 1dmo h GLU 87 CO -0.57 0.67 0.59 0.00 -1.18 0.00 0.00 179.01 178.53 1dmo h ALA 88 N 1.05 1.94 0.01 2.92 0.00 -0.36 0.11 119.26 124.94 1dmo h ALA 88 Ca 0.17 0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.17 1dmo h ALA 88 Cb 0.19 0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1dmo h ALA 88 CO -0.01 -0.50 -0.29 0.74 0.00 0.00 0.00 179.25 179.19 1dmo h PHE 89 N 0.41 0.27 -1.08 0.00 0.04 -1.05 -3.21 116.94 112.31 1dmo h PHE 89 Ca 0.70 -0.15 0.31 0.00 2.80 0.00 0.00 57.97 61.63 1dmo h PHE 89 Cb 1.55 -0.03 -0.04 0.00 2.20 0.00 0.00 35.95 39.63 1dmo h PHE 89 CO -0.01 0.99 0.89 -0.09 -0.60 0.00 0.00 178.31 179.49 1dmo h ARG 90 N -0.54 0.00 -0.74 1.51 2.43 0.24 0.47 114.38 117.75 1dmo h ARG 90 Ca -0.04 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 59.13 1dmo h ARG 90 Cb 1.08 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.60 1dmo h ARG 90 CO 0.06 0.00 0.45 0.28 -1.51 0.00 0.00 179.97 179.24 1dmo h VAL 91 N 0.00 1.21 -0.54 0.20 2.07 -1.22 -1.68 116.25 116.28 1dmo h VAL 91 Ca 0.51 -0.46 0.00 0.00 0.82 0.00 0.00 66.70 67.57 1dmo h VAL 91 Cb 2.28 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 1dmo h VAL 91 CO -0.01 0.22 0.00 0.49 0.02 0.00 0.00 177.57 178.29 1dmo n PHE 92 N -4.39 0.99 -3.30 1.57 3.72 0.16 -4.84 117.46 111.37 1dmo n PHE 92 Ca 0.08 -0.43 -0.42 0.00 -0.05 0.00 0.00 57.45 56.63 1dmo n PHE 92 Cb 0.07 -0.11 -0.08 0.00 -0.94 0.00 0.00 39.48 38.42 1dmo n PHE 92 CO 0.00 0.00 0.00 0.16 -0.05 0.00 0.00 176.76 176.87 1dmo s ASP 93 N -0.90 6.23 -0.07 4.37 -4.77 -0.64 -4.84 116.67 116.06 1dmo s ASP 93 Ca 0.39 -0.41 0.18 0.00 -3.30 0.00 0.00 52.55 49.41 1dmo s ASP 93 Cb 0.23 -2.24 0.59 0.00 -1.09 0.00 0.00 42.92 40.42 1dmo s ASP 93 CO 0.23 -0.53 1.51 2.29 0.70 0.00 0.00 175.17 179.37 1dmo n LYS 94 N 5.65 3.23 0.00 2.11 2.85 -1.26 -4.39 118.16 126.36 1dmo n LYS 94 Ca -0.07 -2.65 0.00 0.00 -1.05 0.00 0.00 58.31 54.54 1dmo n LYS 94 Cb 0.48 -1.67 0.00 0.00 -0.65 0.00 0.00 35.03 33.19 1dmo n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dmo n ASP 95 N 0.96 0.00 -2.59 -5.58 2.03 -1.26 -5.01 116.55 105.10 1dmo n ASP 95 Ca 0.22 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.47 1dmo n ASP 95 Cb 0.73 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 41.12 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 96 N 0.00 -0.50 0.00 0.27 0.00 -1.26 -4.70 105.19 99.00 1dmo n GLY 96 Ca 0.00 0.01 0.04 0.00 0.00 0.00 0.00 46.02 46.06 1dmo n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 97 N -1.65 0.00 -0.24 1.61 5.03 -1.26 -4.76 115.26 113.98 1dmo n ASN 97 Ca -0.04 -1.07 0.00 0.00 0.87 0.00 0.00 54.58 54.34 1dmo n ASN 97 Cb 0.53 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmo n GLY 98 N 0.21 0.99 3.18 7.41 0.00 -1.26 -5.07 105.19 110.65 1dmo n GLY 98 Ca 0.06 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.49 -0.98 0.43 1.61 2.02 -1.26 -4.18 117.35 112.51 1dmo s TYR 99 Ca 0.00 1.10 0.08 0.00 -0.37 0.00 0.00 57.07 57.88 1dmo s TYR 99 Cb 0.00 0.37 -0.00 0.00 -0.40 0.00 0.00 41.96 41.93 1dmo s TYR 99 CO 0.00 -0.53 0.47 0.96 -1.57 0.00 0.00 175.55 174.88 1dmo s ILE 100 N 2.88 2.70 0.57 2.71 -4.36 -0.46 -4.82 121.20 120.41 1dmo s ILE 100 Ca 0.07 -1.20 -0.16 0.00 -0.26 0.00 0.00 60.65 59.09 1dmo s ILE 100 Cb -0.12 -2.91 -0.05 0.00 1.25 0.00 0.00 42.46 40.64 1dmo s ILE 100 CO -0.16 0.00 1.04 -0.44 0.24 0.00 0.00 174.94 175.62 1dmo s SER 101 N -4.25 6.04 0.11 4.36 0.01 -1.26 -0.93 113.70 117.79 1dmo s SER 101 Ca 0.51 1.76 0.03 0.00 1.31 0.00 0.00 55.95 59.56 1dmo s SER 101 Cb -0.06 -2.53 -0.21 0.00 0.21 0.00 0.00 66.02 63.43 1dmo s SER 101 CO 0.30 -0.99 1.25 0.00 0.41 0.00 0.00 173.24 174.21 1dmo h ALA 102 N 0.64 0.29 0.55 1.44 0.00 -0.21 -2.23 119.26 119.74 1dmo h ALA 102 Ca -0.47 -0.88 -0.03 0.00 0.00 0.00 0.00 54.91 53.53 1dmo h ALA 102 Cb 1.21 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.91 1dmo h ALA 102 CO 0.59 1.13 -0.26 0.00 0.00 0.00 0.00 179.25 180.70 1dmo h ALA 103 N 0.87 -0.74 -0.57 0.00 0.00 -1.93 -1.43 119.26 115.46 1dmo h ALA 103 Ca -0.05 -0.19 0.09 0.00 0.00 0.00 0.00 54.91 54.75 1dmo h ALA 103 Cb 1.80 0.28 -0.07 0.00 0.00 0.00 0.00 17.79 19.81 1dmo h ALA 103 CO 0.15 -0.75 0.18 0.93 0.00 0.00 0.00 179.25 179.76 1dmo h GLU 104 N -1.06 0.33 -0.47 0.00 3.07 -1.95 -0.96 114.58 113.54 1dmo h GLU 104 Ca -0.08 -0.02 0.09 0.00 -0.50 0.00 0.00 59.36 58.86 1dmo h GLU 104 Cb 0.63 -0.07 -0.10 0.00 -0.84 0.00 0.00 28.75 28.37 1dmo h GLU 104 CO 0.12 0.22 -0.26 1.25 -1.40 0.00 0.00 179.01 178.94 1dmo h LEU 105 N 0.34 -0.90 -1.93 1.33 6.46 -1.29 1.29 115.31 120.60 1dmo h LEU 105 Ca 0.29 0.19 0.29 0.00 -0.12 0.00 0.00 57.88 58.52 1dmo h LEU 105 Cb 0.37 0.46 -0.05 0.00 -0.73 0.00 0.00 40.66 40.72 1dmo h LEU 105 CO -0.32 -0.28 0.72 -0.09 -0.62 0.00 0.00 178.44 177.85 1dmo h ARG 106 N -0.16 0.05 -0.06 1.25 2.43 -0.05 1.30 114.38 119.14 1dmo h ARG 106 Ca 0.21 -0.00 -0.17 0.00 -0.81 0.00 0.00 59.98 59.21 1dmo h ARG 106 Cb 0.50 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 30.03 1dmo h ARG 106 CO -0.57 0.03 -0.70 1.25 -1.51 0.00 0.00 179.97 178.47 1dmo h HIS 107 N 0.05 0.40 -0.70 2.20 2.76 0.19 -3.10 115.15 116.96 1dmo h HIS 107 Ca 0.49 -0.18 -0.02 0.00 -2.20 0.00 0.00 60.37 58.47 1dmo h HIS 107 Cb 1.88 -0.06 -0.03 0.00 1.55 0.00 0.00 27.41 30.74 1dmo h HIS 107 CO -0.00 0.90 0.36 0.28 -1.30 0.00 0.00 177.93 178.18 1dmo h VAL 108 N 0.21 1.21 0.00 5.26 2.07 0.33 -0.31 116.25 125.02 1dmo h VAL 108 Ca -0.02 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1dmo h VAL 108 Cb 1.26 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 31.32 1dmo h VAL 108 CO 0.11 0.24 0.00 0.24 0.02 0.00 0.00 177.57 178.19 1dmo h MET 109 N 0.97 0.00 0.04 1.57 2.07 -1.36 0.22 114.93 118.45 1dmo h MET 109 Ca 0.24 0.00 -0.30 0.00 -2.07 0.00 0.00 59.70 57.58 1dmo h MET 109 Cb 0.05 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 29.74 1dmo h MET 109 CO -0.04 0.00 -1.65 1.15 1.07 0.00 0.00 176.91 177.44 1dmo h THR 110 N 0.00 0.96 0.00 2.22 2.02 -1.07 -3.36 112.91 113.68 1dmo h THR 110 Ca 0.00 -2.74 0.00 0.00 0.77 0.00 0.00 66.41 64.44 1dmo h THR 110 Cb 0.40 2.54 0.00 0.00 -1.74 0.00 0.00 68.15 69.35 1dmo h THR 110 CO 0.00 0.67 -1.05 -3.20 0.37 0.00 0.00 175.52 172.30 1dmo n ASN 111 N -3.22 0.80 0.28 4.18 2.85 -0.82 -4.36 115.26 114.97 1dmo n ASN 111 Ca -0.17 0.30 -0.11 0.00 -0.11 0.00 0.00 54.58 54.49 1dmo n ASN 111 Cb 1.04 0.53 -0.05 0.00 1.24 0.00 0.00 39.78 42.54 1dmo n ASN 111 CO 0.00 0.00 0.00 0.25 -2.11 0.00 0.00 177.26 175.40 1dmo h LEU 112 N 0.00 -0.61 0.00 1.20 5.85 -1.10 -3.49 115.31 117.17 1dmo h LEU 112 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dmo h LEU 112 Cb 0.99 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.18 1dmo h LEU 112 CO 0.00 -0.40 0.00 0.61 -0.34 0.00 0.00 178.44 178.31 1dmo n GLY 113 N -1.00 -1.74 0.00 3.75 0.00 -1.26 -5.08 105.19 99.87 1dmo n GLY 113 Ca -0.09 0.61 0.00 0.00 0.00 0.00 0.00 46.02 46.54 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 0.00 0.00 -3.31 1.61 4.07 -1.26 -4.96 120.64 116.78 1dmo n GLU 114 Ca 0.00 0.00 -0.24 0.00 -0.06 0.00 0.00 57.16 56.86 1dmo n GLU 114 Cb 0.00 0.00 0.02 0.00 -0.06 0.00 0.00 31.44 31.40 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1dmo n LYS 115 N -0.79 -1.25 -1.64 5.31 4.76 -1.26 -4.55 118.16 118.73 1dmo n LYS 115 Ca 0.00 1.13 0.00 0.00 -2.87 0.00 0.00 58.31 56.57 1dmo n LYS 115 Cb 0.00 -1.55 0.00 0.00 -1.84 0.00 0.00 35.03 31.64 1dmo n LYS 115 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dmo n LEU 116 N 0.37 -5.56 -4.58 -0.35 4.77 -1.26 -4.84 117.00 105.55 1dmo n LEU 116 Ca -0.05 2.70 -0.29 0.00 -0.03 0.00 0.00 56.01 58.34 1dmo n LEU 116 Cb 0.60 -2.56 0.21 0.00 -2.33 0.00 0.00 43.42 39.33 1dmo n LEU 116 CO 0.34 -0.89 0.59 0.42 -1.33 0.00 0.00 177.39 176.51 1dmo s THR 117 N -1.28 2.14 0.18 -5.08 -4.23 -1.26 -4.44 115.64 101.67 1dmo s THR 117 Ca 0.00 0.05 -0.23 0.00 -1.18 0.00 0.00 61.69 60.32 1dmo s THR 117 Cb 0.00 -2.21 0.08 0.00 1.34 0.00 0.00 72.50 71.70 1dmo s THR 117 CO 0.00 -0.06 1.58 -0.78 -0.54 0.00 0.00 174.62 174.82 1dmo h ASP 118 N -2.24 -1.31 -0.34 3.99 3.58 -1.92 0.32 116.42 118.50 1dmo h ASP 118 Ca -0.56 0.23 0.06 0.00 0.42 0.00 0.00 57.03 57.18 1dmo h ASP 118 Cb 1.31 0.62 -0.05 0.00 1.72 0.00 0.00 39.33 42.93 1dmo h ASP 118 CO 0.50 -0.32 0.02 1.05 -2.88 0.00 0.00 179.24 177.61 1dmo h GLU 119 N -0.21 0.12 -0.60 0.28 4.11 -2.00 -0.89 114.58 115.40 1dmo h GLU 119 Ca 0.20 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.61 1dmo h GLU 119 Cb 0.56 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.75 1dmo h GLU 119 CO -0.67 0.08 0.32 0.93 0.07 0.00 0.00 179.01 179.74 1dmo h GLU 120 N 0.13 0.83 -0.19 1.06 5.08 -1.44 -1.71 114.58 118.34 1dmo h GLU 120 Ca 0.16 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 1dmo h GLU 120 Cb 0.21 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1dmo h GLU 120 CO -0.26 0.62 -0.21 0.28 -1.00 0.00 0.00 179.01 178.45 1dmo h VAL 121 N 0.84 1.23 -0.33 3.13 2.07 0.65 -2.42 116.25 121.42 1dmo h VAL 121 Ca 0.21 -1.08 -0.13 0.00 0.82 0.00 0.00 66.70 66.51 1dmo h VAL 121 Cb 0.04 1.33 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1dmo h VAL 121 CO -0.03 0.34 -0.34 -0.78 0.02 0.00 0.00 177.57 176.78 1dmo h ASP 122 N 0.30 0.78 -0.13 0.57 1.82 -0.30 0.10 116.42 119.56 1dmo h ASP 122 Ca 0.05 -0.33 -0.07 0.00 -0.39 0.00 0.00 57.03 56.29 1dmo h ASP 122 Cb 0.55 -0.22 -0.02 0.00 0.68 0.00 0.00 39.33 40.32 1dmo h ASP 122 CO 0.04 1.05 -0.12 -0.08 -1.61 0.00 0.00 179.24 178.51 1dmo h GLU 123 N 0.63 0.48 0.09 0.28 4.81 -1.04 -1.90 114.58 117.91 1dmo h GLU 123 Ca 0.06 -0.14 -0.11 0.00 -0.13 0.00 0.00 59.36 59.05 1dmo h GLU 123 Cb 0.87 -0.05 0.01 0.00 0.63 0.00 0.00 28.75 30.21 1dmo h GLU 123 CO 0.08 0.60 -0.50 1.98 -0.73 0.00 0.00 179.01 180.44 1dmo h MET 124 N 0.45 0.18 -0.49 1.92 4.05 -1.20 -3.28 114.93 116.56 1dmo h MET 124 Ca 0.08 -0.31 0.12 0.00 -0.28 0.00 0.00 59.70 59.31 1dmo h MET 124 Cb 0.48 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 31.37 1dmo h MET 124 CO 0.03 1.15 0.34 0.82 0.23 0.00 0.00 176.91 179.48 1dmo h ILE 125 N -0.61 0.82 0.00 1.77 2.04 -0.74 0.21 117.51 121.00 1dmo h ILE 125 Ca -0.09 -0.05 -0.06 0.00 1.00 0.00 0.00 64.86 65.66 1dmo h ILE 125 Cb 1.39 0.66 -0.01 0.00 -0.74 0.00 0.00 36.82 38.12 1dmo h ILE 125 CO 0.09 0.03 -0.29 -0.09 0.00 0.00 0.00 178.15 177.89 1dmo h ARG 126 N 0.15 0.00 -0.55 2.37 9.65 -1.40 -2.29 114.38 122.31 1dmo h ARG 126 Ca 0.23 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.11 1dmo h ARG 126 Cb 0.72 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 1dmo h ARG 126 CO -0.03 0.29 0.00 0.39 2.80 0.00 0.00 179.97 183.41 1dmo n GLU 127 N -4.10 3.43 0.00 0.20 4.71 0.65 -4.57 120.64 120.96 1dmo n GLU 127 Ca -0.02 -2.73 0.00 0.00 -0.01 0.00 0.00 57.16 54.40 1dmo n GLU 127 Cb 0.34 -1.76 0.00 0.00 -1.01 0.00 0.00 31.44 29.01 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1dmo n ALA 128 N 0.84 2.10 -4.13 0.62 0.00 -0.60 -4.72 120.51 114.62 1dmo n ALA 128 Ca 0.23 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.36 1dmo n ALA 128 Cb 0.80 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.21 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 0.66 -1.13 -4.59 0.00 4.05 -1.26 -4.65 115.26 108.34 1dmo n ASN 129 Ca 0.00 -1.06 -0.29 0.00 0.45 0.00 0.00 54.58 53.68 1dmo n ASN 129 Cb 0.30 -2.65 0.19 0.00 1.23 0.00 0.00 39.78 38.84 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1dmo s ILE 130 N -3.79 1.96 -0.18 -1.44 1.01 -1.26 -4.89 121.20 112.61 1dmo s ILE 130 Ca 0.28 0.00 -0.23 0.00 0.00 0.00 0.00 60.65 60.70 1dmo s ILE 130 Cb -0.15 -2.50 -0.21 0.00 0.01 0.00 0.00 42.46 39.60 1dmo s ILE 130 CO 0.93 0.00 0.37 0.44 0.00 0.00 0.00 174.94 176.68 1dmo h ASP 131 N -2.00 0.04 0.00 3.58 5.19 -1.91 -3.49 116.42 117.83 1dmo h ASP 131 Ca -0.54 -0.66 0.00 0.00 -0.62 0.00 0.00 57.03 55.21 1dmo h ASP 131 Cb 1.33 -0.01 0.00 0.00 0.18 0.00 0.00 39.33 40.83 1dmo h ASP 131 CO 0.56 1.40 0.00 0.61 -3.12 0.00 0.00 179.24 178.68 1dmo n GLY 132 N 1.51 0.36 0.00 2.75 0.00 -1.26 -5.05 105.19 103.50 1dmo n GLY 132 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1dmo n GLY 132 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1dmo n ASP 133 N 0.00 0.00 -1.89 1.61 -0.08 -1.26 -5.00 116.55 109.93 1dmo n ASP 133 Ca 0.00 0.07 -0.01 0.00 -1.51 0.00 0.00 54.79 53.34 1dmo n ASP 133 Cb 0.00 -0.17 0.05 0.00 2.34 0.00 0.00 41.12 43.34 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dmo n GLY 134 N 2.24 0.24 3.89 0.27 0.00 -1.26 -5.00 105.19 105.57 1dmo n GLY 134 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 1dmo n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 135 N 0.05 3.40 -0.07 1.61 -1.52 -1.26 0.53 119.66 122.39 1dmo s GLN 135 Ca 0.03 -0.33 -0.03 0.00 -1.95 0.00 0.00 55.36 53.08 1dmo s GLN 135 Cb 0.17 -3.07 0.04 0.00 -0.22 0.00 0.00 33.01 29.93 1dmo s GLN 135 CO -0.05 0.68 0.17 0.08 -0.25 0.00 0.00 175.29 175.91 1dmo s VAL 136 N -1.30 -0.05 -1.16 1.09 1.01 -0.11 -4.17 120.40 115.71 1dmo s VAL 136 Ca 0.27 0.18 -0.23 0.00 0.00 0.00 0.00 61.98 62.19 1dmo s VAL 136 Cb -0.13 -0.27 -0.09 0.00 0.00 0.00 0.00 36.38 35.89 1dmo s VAL 136 CO 0.18 0.07 1.94 0.54 0.00 0.00 0.00 175.10 177.83 1dmo s ASN 137 N 1.22 4.98 0.28 3.32 2.20 -1.26 -1.36 114.94 124.32 1dmo s ASN 137 Ca -0.09 -1.55 -0.03 0.00 -0.94 0.00 0.00 52.86 50.25 1dmo s ASN 137 Cb -0.11 -2.59 0.60 0.00 -2.00 0.00 0.00 41.25 37.15 1dmo s ASN 137 CO -0.07 -3.11 1.59 0.10 -2.94 0.00 0.00 177.10 172.67 1dmo h TYR 138 N 9.93 -0.11 -0.78 1.54 -0.00 -1.88 0.28 116.97 125.95 1dmo h TYR 138 Ca 0.20 0.07 -0.01 0.00 0.00 0.00 0.00 58.73 58.98 1dmo h TYR 138 Cb 0.95 0.19 -0.04 0.00 0.00 0.00 0.00 36.73 37.83 1dmo h TYR 138 CO 1.20 -0.36 0.43 1.05 -0.00 0.00 0.00 178.16 180.49 1dmo h GLU 139 N 0.05 1.08 -0.11 0.10 9.09 -1.86 0.25 114.58 123.16 1dmo h GLU 139 Ca 0.51 -0.12 -0.19 0.00 0.05 0.00 0.00 59.36 59.62 1dmo h GLU 139 Cb 0.98 -0.22 -0.00 0.00 -1.65 0.00 0.00 28.75 27.86 1dmo h GLU 139 CO -0.84 0.78 -0.70 0.93 0.05 0.00 0.00 179.01 179.23 1dmo h GLU 140 N 1.08 0.50 -0.21 1.06 5.08 -0.99 -3.15 114.58 117.95 1dmo h GLU 140 Ca 0.28 -0.39 0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1dmo h GLU 140 Cb 0.02 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 1dmo h GLU 140 CO -0.05 1.01 0.13 0.35 -1.00 0.00 0.00 179.01 179.46 1dmo h PHE 141 N 0.35 0.24 -1.24 4.33 3.04 -0.01 0.16 116.94 123.82 1dmo h PHE 141 Ca -0.03 0.01 0.40 0.00 3.98 0.00 0.00 57.97 62.34 1dmo h PHE 141 Cb 1.27 -0.08 -0.13 0.00 2.56 0.00 0.00 35.95 39.58 1dmo h PHE 141 CO 0.05 0.15 0.79 0.28 -2.02 0.00 0.00 178.31 177.56 1dmo h VAL 142 N 0.27 0.18 0.00 1.41 2.07 -0.93 0.63 116.25 119.88 1dmo h VAL 142 Ca 0.08 -0.05 -0.11 0.00 0.82 0.00 0.00 66.70 67.44 1dmo h VAL 142 Cb -0.01 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.77 1dmo h VAL 142 CO -0.03 0.02 -0.95 0.00 0.02 0.00 0.00 177.57 176.63 1dmo n GLN 143 N -4.74 0.51 0.00 1.57 6.02 -0.69 -4.13 117.38 115.91 1dmo n GLN 143 Ca 0.35 0.51 0.00 0.00 -0.01 0.00 0.00 57.00 57.85 1dmo n GLN 143 Cb 1.32 -1.68 0.00 0.00 1.02 0.00 0.00 30.24 30.90 1dmo n GLN 143 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 1dmo n MET 144 N -4.51 0.00 0.16 -1.09 1.56 0.49 -0.16 117.12 113.57 1dmo n MET 144 Ca -0.20 0.42 0.11 0.00 -0.27 0.00 0.00 57.70 57.76 1dmo n MET 144 Cb 0.47 -1.54 0.08 0.00 2.15 0.00 0.00 33.22 34.39 1dmo n MET 144 CO 0.00 0.00 0.00 1.98 -0.73 0.00 0.00 175.97 177.22 1dmo h MET 145 N 0.00 0.00 -2.42 2.12 1.85 0.10 -3.40 114.93 113.18 1dmo h MET 145 Ca 0.00 0.00 -0.58 0.00 -0.61 0.00 0.00 59.70 58.51 1dmo h MET 145 Cb 0.08 0.00 -0.38 0.00 0.43 0.00 0.00 31.60 31.73 1dmo h MET 145 CO 0.00 0.03 -0.93 0.99 -0.40 0.00 0.00 176.91 176.60 1dmo s THR 146 N -3.26 0.24 -0.03 -0.77 2.01 0.78 -5.00 115.64 109.62 1dmo s THR 146 Ca 0.03 -2.29 -0.29 0.00 0.31 0.00 0.00 61.69 59.46 1dmo s THR 146 Cb 0.07 -1.18 0.10 0.00 0.01 0.00 0.00 72.50 71.50 1dmo s THR 146 CO 0.73 -1.13 0.86 0.00 -0.69 0.00 0.00 174.62 174.39 1dmo s ALA 147 N 0.44 -1.82 -2.67 7.40 0.00 -1.24 -4.91 121.76 118.96 1dmo s ALA 147 Ca 0.28 1.12 0.27 0.00 0.00 0.00 0.00 51.96 53.63 1dmo s ALA 147 Cb -0.06 0.16 0.76 0.00 0.00 0.00 0.00 23.12 23.99 1dmo s ALA 147 CO -0.12 -0.58 1.58 0.36 0.00 0.00 0.00 175.76 177.00