#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo h ASP 2 N 0.00 -0.92 -3.73 0.00 3.58 -2.00 -3.48 116.42 109.88 1dmo h ASP 2 Ca 0.00 0.21 0.00 0.00 0.42 0.00 0.00 57.03 57.66 1dmo h ASP 2 Cb 0.00 0.50 0.00 0.00 1.72 0.00 0.00 39.33 41.55 1dmo h ASP 2 CO 0.00 -0.27 -0.43 1.67 -2.88 0.00 0.00 179.24 177.32 1dmo n GLN 3 N -5.44 -2.37 -1.55 0.28 0.00 -1.26 -4.74 117.38 102.29 1dmo n GLN 3 Ca 0.06 1.99 -0.38 0.00 -0.00 0.00 0.00 57.00 58.66 1dmo n GLN 3 Cb 0.35 -2.24 -0.04 0.00 0.00 0.00 0.00 30.24 28.31 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 1dmo n LEU 4 N 0.83 2.42 -4.94 1.69 4.77 -1.26 -4.93 117.00 115.57 1dmo n LEU 4 Ca 0.00 -0.31 -0.24 0.00 -0.03 0.00 0.00 56.01 55.42 1dmo n LEU 4 Cb 0.00 -1.54 0.05 0.00 -2.33 0.00 0.00 43.42 39.59 1dmo n LEU 4 CO 0.00 -1.34 0.49 0.42 -1.33 0.00 0.00 177.39 175.63 1dmo s THR 5 N 11.20 2.81 0.23 -5.08 -4.23 -1.26 -4.97 115.64 114.34 1dmo s THR 5 Ca 1.01 -0.37 -0.08 0.00 -1.18 0.00 0.00 61.69 61.07 1dmo s THR 5 Cb -0.27 -3.13 0.19 0.00 1.34 0.00 0.00 72.50 70.63 1dmo s THR 5 CO 0.30 -0.12 1.88 -0.33 -0.54 0.00 0.00 174.62 175.81 1dmo h GLU 6 N -0.22 1.03 -0.58 3.99 5.08 -2.00 -2.12 114.58 119.76 1dmo h GLU 6 Ca -0.44 -0.06 0.05 0.00 -1.00 0.00 0.00 59.36 57.91 1dmo h GLU 6 Cb 1.29 -0.23 -0.05 0.00 0.50 0.00 0.00 28.75 30.26 1dmo h GLU 6 CO 0.57 0.68 0.30 1.05 -1.00 0.00 0.00 179.01 180.62 1dmo h GLU 7 N 1.06 0.55 -0.94 2.33 4.11 -1.99 0.14 114.58 119.84 1dmo h GLU 7 Ca 0.33 -0.03 0.10 0.00 0.07 0.00 0.00 59.36 59.82 1dmo h GLU 7 Cb -0.02 -0.12 -0.07 0.00 0.50 0.00 0.00 28.75 29.03 1dmo h GLU 7 CO -0.10 0.37 0.60 1.96 0.07 0.00 0.00 179.01 181.91 1dmo h GLN 8 N 0.57 0.93 -0.08 1.06 4.20 -1.77 0.22 115.11 120.24 1dmo h GLN 8 Ca 0.26 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.78 1dmo h GLN 8 Cb 0.17 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1dmo h GLN 8 CO -0.18 0.62 -0.53 0.82 -0.67 0.00 0.00 178.83 178.88 1dmo h ILE 9 N 0.96 1.36 -0.56 2.54 2.04 -0.72 -0.15 117.51 122.98 1dmo h ILE 9 Ca 0.44 -1.82 -0.11 0.00 1.00 0.00 0.00 64.86 64.36 1dmo h ILE 9 Cb 0.40 1.90 -0.02 0.00 -0.74 0.00 0.00 36.82 38.36 1dmo h ILE 9 CO -0.20 0.54 -0.09 0.00 0.00 0.00 0.00 178.15 178.40 1dmo h ALA 10 N 1.28 0.77 -0.15 1.87 0.00 0.19 -0.39 119.26 122.83 1dmo h ALA 10 Ca 0.00 -0.35 -0.16 0.00 0.00 0.00 0.00 54.91 54.41 1dmo h ALA 10 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.58 1dmo h ALA 10 CO 0.08 0.67 -0.58 0.93 0.00 0.00 0.00 179.25 180.36 1dmo h GLU 11 N 0.93 0.47 -0.49 0.00 5.08 -0.69 -2.49 114.58 117.39 1dmo h GLU 11 Ca 0.15 -0.31 -0.03 0.00 -1.00 0.00 0.00 59.36 58.17 1dmo h GLU 11 Cb 0.66 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 1dmo h GLU 11 CO 0.05 0.91 0.18 0.74 -1.00 0.00 0.00 179.01 179.89 1dmo h PHE 12 N 0.35 0.76 -0.65 4.33 -1.00 -0.69 -2.55 116.94 117.50 1dmo h PHE 12 Ca 0.00 -0.06 -0.01 0.00 2.81 0.00 0.00 57.97 60.71 1dmo h PHE 12 Cb 1.11 -0.23 -0.03 0.00 3.61 0.00 0.00 35.95 40.41 1dmo h PHE 12 CO 0.04 0.65 0.39 -0.22 -1.61 0.00 0.00 178.31 177.56 1dmo h LYS 13 N 0.65 0.90 -0.52 1.51 3.64 -0.96 -1.16 116.57 120.63 1dmo h LYS 13 Ca 0.16 -0.09 0.10 0.00 -1.27 0.00 0.00 60.65 59.56 1dmo h LYS 13 Cb 0.22 -0.18 -0.11 0.00 -0.41 0.00 0.00 32.23 31.75 1dmo h LYS 13 CO -0.01 0.65 -0.26 1.49 -2.27 0.00 0.00 179.45 179.05 1dmo h GLU 14 N 0.89 -0.13 0.10 1.90 4.57 -1.04 0.82 114.58 121.69 1dmo h GLU 14 Ca 0.23 0.01 0.02 0.00 -1.18 0.00 0.00 59.36 58.44 1dmo h GLU 14 Cb -0.01 0.03 -0.03 0.00 -0.16 0.00 0.00 28.75 28.58 1dmo h GLU 14 CO -0.04 -0.09 -0.20 0.00 -1.18 0.00 0.00 179.01 177.50 1dmo h ALA 15 N 1.15 -0.33 -0.54 2.92 0.00 -1.13 0.68 119.26 122.00 1dmo h ALA 15 Ca 0.23 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.27 1dmo h ALA 15 Cb 0.50 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 1dmo h ALA 15 CO -0.60 -0.72 0.50 0.35 0.00 0.00 0.00 179.25 178.77 1dmo h PHE 16 N -0.38 0.00 0.00 0.00 3.57 0.44 0.48 116.94 121.05 1dmo h PHE 16 Ca 0.03 0.00 -0.12 0.00 3.53 0.00 0.00 57.97 61.40 1dmo h PHE 16 Cb 0.40 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 39.12 1dmo h PHE 16 CO -0.20 0.00 -1.34 -1.13 -2.23 0.00 0.00 178.31 173.41 1dmo n SER 17 N -3.90 0.82 0.06 0.41 3.41 0.26 -3.57 113.62 111.11 1dmo n SER 17 Ca 0.10 0.35 -0.07 0.00 -0.26 0.00 0.00 58.87 58.99 1dmo n SER 17 Cb 0.71 0.29 0.09 0.00 -0.26 0.00 0.00 64.21 65.04 1dmo n SER 17 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 1dmo h LEU 18 N 0.00 0.41 -3.69 1.04 3.38 0.51 -2.95 115.31 114.00 1dmo h LEU 18 Ca -0.12 -0.23 -0.19 0.00 0.09 0.00 0.00 57.88 57.42 1dmo h LEU 18 Cb 1.43 -0.12 -0.12 0.00 0.09 0.00 0.00 40.66 41.95 1dmo h LEU 18 CO 0.03 0.91 0.25 0.49 0.09 0.00 0.00 178.44 180.21 1dmo n PHE 19 N -3.90 2.42 -1.75 1.13 3.72 -0.61 -4.96 117.46 113.52 1dmo n PHE 19 Ca -0.03 -1.13 -0.28 0.00 -0.05 0.00 0.00 57.45 55.96 1dmo n PHE 19 Cb 0.62 -0.67 0.20 0.00 -0.94 0.00 0.00 39.48 38.69 1dmo n PHE 19 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1dmo n ASP 20 N -0.04 -0.24 -0.03 4.37 -0.08 -1.12 -4.84 116.55 114.57 1dmo n ASP 20 Ca 0.39 -1.41 -0.02 0.00 -1.51 0.00 0.00 54.79 52.24 1dmo n ASP 20 Cb 1.36 -0.97 -0.01 0.00 2.34 0.00 0.00 41.12 43.85 1dmo n ASP 20 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1dmo n LYS 21 N -3.85 0.21 0.00 -0.67 5.02 -1.26 -4.98 118.16 112.63 1dmo n LYS 21 Ca 0.16 0.34 0.00 0.00 -2.02 0.00 0.00 58.31 56.79 1dmo n LYS 21 Cb 0.55 -1.15 0.00 0.00 -0.02 0.00 0.00 35.03 34.41 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1dmo n ASP 22 N -3.34 0.00 0.00 4.39 5.75 -1.26 -4.98 116.55 117.10 1dmo n ASP 22 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.74 1dmo n ASP 22 Cb 0.14 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 23 N -0.21 0.00 0.12 6.12 0.00 -1.26 -5.01 105.19 104.95 1dmo n GLY 23 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1dmo n GLY 23 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 24 N 0.00 0.27 0.00 1.61 5.19 -1.98 -3.46 116.42 118.04 1dmo h ASP 24 Ca 0.00 -0.01 0.00 0.00 -0.62 0.00 0.00 57.03 56.40 1dmo h ASP 24 Cb 0.00 -0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.44 1dmo h ASP 24 CO 0.00 0.20 0.00 0.61 -3.12 0.00 0.00 179.24 176.93 1dmo n GLY 25 N -1.15 1.03 3.32 2.75 0.00 -1.26 -5.08 105.19 104.80 1dmo n GLY 25 Ca -0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.00 0.08 0.41 2.61 -4.23 -1.26 -4.19 115.64 107.06 1dmo s THR 26 Ca 0.00 -0.78 0.07 0.00 -1.18 0.00 0.00 61.69 59.80 1dmo s THR 26 Cb 0.00 -1.31 -0.07 0.00 1.34 0.00 0.00 72.50 72.46 1dmo s THR 26 CO 0.00 -0.36 0.07 0.27 -0.54 0.00 0.00 174.62 174.07 1dmo s ILE 27 N -3.84 2.13 -0.01 2.99 -4.36 -0.21 -4.46 121.20 113.44 1dmo s ILE 27 Ca 0.05 -1.89 0.01 0.00 -0.26 0.00 0.00 60.65 58.56 1dmo s ILE 27 Cb 0.02 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.70 1dmo s ILE 27 CO -0.10 -0.01 0.02 0.42 0.24 0.00 0.00 174.94 175.51 1dmo s THR 28 N -2.66 4.30 0.51 8.37 -4.23 -1.26 -0.13 115.64 120.54 1dmo s THR 28 Ca 0.37 -0.51 0.47 0.00 -1.18 0.00 0.00 61.69 60.83 1dmo s THR 28 Cb 0.07 -2.91 0.69 0.00 1.34 0.00 0.00 72.50 71.69 1dmo s THR 28 CO 0.20 0.40 1.44 0.35 -0.54 0.00 0.00 174.62 176.46 1dmo n THR 29 N 1.44 0.00 -0.11 3.99 -2.24 -1.25 0.13 114.28 116.24 1dmo n THR 29 Ca -0.15 1.37 -0.12 0.00 -2.27 0.00 0.00 64.05 62.88 1dmo n THR 29 Cb 0.53 -2.29 -0.03 0.00 -2.10 0.00 0.00 70.33 66.44 1dmo n THR 29 CO 0.00 0.00 0.00 0.07 -0.57 0.00 0.00 175.07 174.57 1dmo h LYS 30 N 0.00 0.69 -0.00 -0.78 2.10 -1.93 -2.77 116.57 113.88 1dmo h LYS 30 Ca 0.87 -0.30 0.00 0.00 -2.00 0.00 0.00 60.65 59.22 1dmo h LYS 30 Cb 3.49 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.80 1dmo h LYS 30 CO -0.01 0.90 -0.01 0.39 -2.00 0.00 0.00 179.45 178.71 1dmo n GLU 31 N -4.35 0.03 0.06 0.07 1.02 0.35 -4.07 120.64 113.75 1dmo n GLU 31 Ca -0.03 -0.00 -0.06 0.00 -0.02 0.00 0.00 57.16 57.05 1dmo n GLU 31 Cb 0.39 -1.50 -0.04 0.00 -0.02 0.00 0.00 31.44 30.27 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dmo h LEU 32 N 0.00 -0.56 -0.96 -4.62 5.85 -1.01 -0.98 115.31 113.03 1dmo h LEU 32 Ca 0.00 0.05 0.30 0.00 0.84 0.00 0.00 57.88 59.08 1dmo h LEU 32 Cb 0.48 0.20 -0.15 0.00 0.37 0.00 0.00 40.66 41.56 1dmo h LEU 32 CO 0.00 -0.22 0.41 1.23 -0.34 0.00 0.00 178.44 179.52 1dmo h GLY 33 N -0.31 1.79 1.34 3.75 0.00 -1.71 0.97 103.07 108.90 1dmo h GLY 33 Ca -0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 47.33 47.18 1dmo h GLY 33 CO -0.08 -0.50 0.32 -0.84 0.00 0.00 0.00 176.54 175.45 1dmo h THR 34 N 0.21 1.20 0.25 4.70 2.02 -1.56 -1.02 112.91 118.72 1dmo h THR 34 Ca 0.68 -0.52 -0.01 0.00 0.77 0.00 0.00 66.41 67.33 1dmo h THR 34 Cb 1.52 0.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.31 1dmo h THR 34 CO -0.67 0.22 -0.12 0.58 0.37 0.00 0.00 175.52 175.90 1dmo h VAL 35 N 0.87 0.00 -1.29 3.16 2.07 0.23 -2.54 116.25 118.75 1dmo h VAL 35 Ca 0.22 -0.09 0.37 0.00 0.82 0.00 0.00 66.70 68.02 1dmo h VAL 35 Cb 0.05 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.75 1dmo h VAL 35 CO -0.03 0.00 0.90 0.24 0.02 0.00 0.00 177.57 178.69 1dmo h MET 36 N -0.43 0.10 -0.51 1.57 2.86 -1.40 0.78 114.93 117.89 1dmo h MET 36 Ca -0.03 -0.01 -0.03 0.00 -2.06 0.00 0.00 59.70 57.57 1dmo h MET 36 Cb 0.26 -0.02 -0.02 0.00 0.06 0.00 0.00 31.60 31.88 1dmo h MET 36 CO 0.06 0.06 0.20 0.00 1.06 0.00 0.00 176.91 178.29 1dmo h ARG 37 N 0.10 0.77 -0.01 1.72 3.08 -0.99 -2.30 114.38 116.76 1dmo h ARG 37 Ca 0.67 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.57 1dmo h ARG 37 Cb 2.37 -0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.30 1dmo h ARG 37 CO -0.13 0.69 -0.55 0.45 -1.07 0.00 0.00 179.97 179.35 1dmo n SER 38 N -4.53 1.11 0.10 7.04 2.88 0.15 -4.02 113.62 116.34 1dmo n SER 38 Ca 0.02 -0.89 0.02 0.00 -1.33 0.00 0.00 58.87 56.69 1dmo n SER 38 Cb 0.16 0.45 -0.02 0.00 -0.75 0.00 0.00 64.21 64.06 1dmo n SER 38 CO 0.00 0.00 0.00 0.25 -1.23 0.00 0.00 175.04 174.06 1dmo h LEU 39 N 0.88 0.00 0.00 2.46 6.46 0.53 -3.49 115.31 122.16 1dmo h LEU 39 Ca 0.00 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 57.76 1dmo h LEU 39 Cb 0.56 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.49 1dmo h LEU 39 CO 0.00 0.50 0.00 0.61 -0.62 0.00 0.00 178.44 178.93 1dmo n GLY 40 N 1.29 -0.11 0.77 3.75 0.00 -0.90 -4.99 105.19 105.00 1dmo n GLY 40 Ca -0.03 0.25 -0.06 0.00 0.00 0.00 0.00 46.02 46.18 1dmo n GLY 40 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 41 N 0.00 -0.75 -2.89 1.61 3.00 -0.98 -4.93 117.38 112.44 1dmo n GLN 41 Ca 0.00 -0.40 -0.11 0.00 -0.01 0.00 0.00 57.00 56.48 1dmo n GLN 41 Cb 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 30.24 29.93 1dmo n GLN 41 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1dmo n ASN 42 N -3.26 -2.48 -4.75 1.08 0.23 -1.26 -3.51 115.26 101.31 1dmo n ASN 42 Ca 0.03 -2.94 -0.31 0.00 -0.53 0.00 0.00 54.58 50.83 1dmo n ASN 42 Cb 0.12 1.20 0.11 0.00 -2.08 0.00 0.00 39.78 39.13 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.93 0.00 0.00 177.26 174.17 1dmo s PRO 43 N 0.48 1.95 0.14 -0.53 0.05 -1.26 -5.03 135.00 130.80 1dmo s PRO 43 Ca 0.32 1.22 0.03 0.00 0.05 0.00 0.00 61.00 62.62 1dmo s PRO 43 Cb 0.10 -1.86 -0.04 0.00 0.05 0.00 0.00 34.50 32.75 1dmo s PRO 43 CO -0.14 -1.88 0.23 0.99 0.05 0.00 0.00 177.00 176.26 1dmo s THR 44 N -2.85 5.11 0.61 1.26 2.01 -1.26 -4.90 115.64 115.61 1dmo s THR 44 Ca 0.62 -0.75 0.27 0.00 0.31 0.00 0.00 61.69 62.14 1dmo s THR 44 Cb -0.18 -3.60 0.36 0.00 0.01 0.00 0.00 72.50 69.09 1dmo s THR 44 CO 0.56 -0.06 1.65 1.05 -0.69 0.00 0.00 174.62 177.14 1dmo h GLU 45 N 2.35 0.00 0.00 4.92 4.11 -1.98 0.18 114.58 124.16 1dmo h GLU 45 Ca -0.48 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.95 1dmo h GLU 45 Cb 1.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.44 1dmo h GLU 45 CO 0.68 0.00 0.00 0.00 0.07 0.00 0.00 179.01 179.76 1dmo n ALA 46 N -2.24 -0.04 -0.32 1.06 0.00 -1.26 -2.36 120.51 115.35 1dmo n ALA 46 Ca 0.12 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1dmo n ALA 46 Cb 0.97 0.00 0.32 0.00 0.00 0.00 0.00 19.45 20.74 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 0.51 -0.34 0.00 5.08 -1.86 0.41 114.58 118.39 1dmo h GLU 47 Ca 0.00 -0.03 0.07 0.00 -1.00 0.00 0.00 59.36 58.40 1dmo h GLU 47 Cb 0.00 -0.11 -0.07 0.00 0.50 0.00 0.00 28.75 29.06 1dmo h GLU 47 CO 0.00 0.33 -0.15 1.25 -1.00 0.00 0.00 179.01 179.44 1dmo h LEU 48 N 0.52 -0.52 -1.69 1.33 5.85 -0.77 0.27 115.31 120.31 1dmo h LEU 48 Ca 0.58 0.13 0.03 0.00 0.84 0.00 0.00 57.88 59.45 1dmo h LEU 48 Cb 1.04 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 42.34 1dmo h LEU 48 CO -0.48 -0.19 0.26 -0.61 -0.34 0.00 0.00 178.44 177.09 1dmo h GLN 49 N -0.10 0.39 -0.14 1.25 4.15 0.15 0.51 115.11 121.33 1dmo h GLN 49 Ca 0.17 -0.02 -0.03 0.00 0.77 0.00 0.00 58.65 59.54 1dmo h GLN 49 Cb 0.35 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1dmo h GLN 49 CO -0.40 0.26 -0.04 0.22 -1.93 0.00 0.00 178.83 176.94 1dmo h ASP 50 N 0.41 0.18 0.67 -0.69 3.58 0.81 -1.97 116.42 119.41 1dmo h ASP 50 Ca 0.16 -0.02 -0.26 0.00 0.42 0.00 0.00 57.03 57.33 1dmo h ASP 50 Cb 0.13 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.13 1dmo h ASP 50 CO -0.04 0.26 -1.16 0.24 -2.88 0.00 0.00 179.24 175.66 1dmo h MET 51 N 0.20 0.23 -0.73 0.28 2.86 -0.06 -3.27 114.93 114.44 1dmo h MET 51 Ca 0.05 -0.37 0.07 0.00 -2.06 0.00 0.00 59.70 57.38 1dmo h MET 51 Cb 0.21 0.14 -0.06 0.00 0.06 0.00 0.00 31.60 31.95 1dmo h MET 51 CO 0.01 1.16 0.41 0.82 1.06 0.00 0.00 176.91 180.38 1dmo h ILE 52 N 0.07 0.96 0.00 -1.22 5.03 -0.53 0.28 117.51 122.10 1dmo h ILE 52 Ca -0.11 -0.25 0.00 0.00 -0.12 0.00 0.00 64.86 64.38 1dmo h ILE 52 Cb 1.89 0.15 0.00 0.00 -3.03 0.00 0.00 36.82 35.83 1dmo h ILE 52 CO 0.19 0.14 0.00 -3.20 -0.68 0.00 0.00 178.15 174.59 1dmo n ASN 53 N -4.76 0.33 0.01 1.72 5.15 -1.03 -1.10 115.26 115.59 1dmo n ASN 53 Ca 0.10 0.60 -0.21 0.00 -0.60 0.00 0.00 54.58 54.47 1dmo n ASN 53 Cb 0.20 -0.66 -0.14 0.00 -0.53 0.00 0.00 39.78 38.65 1dmo n ASN 53 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1dmo n GLU 54 N -1.88 0.76 0.15 1.20 4.07 0.90 -4.17 120.64 121.66 1dmo n GLU 54 Ca 0.02 0.27 0.08 0.00 -0.06 0.00 0.00 57.16 57.46 1dmo n GLU 54 Cb 0.16 -1.72 0.06 0.00 -0.06 0.00 0.00 31.44 29.89 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 0.07 0.30 -0.08 6.31 -1.51 -1.05 -3.26 116.25 117.03 1dmo h VAL 55 Ca -0.42 -1.46 -0.03 0.00 -1.23 0.00 0.00 66.70 63.56 1dmo h VAL 55 Cb 2.04 2.02 -0.02 0.00 -2.13 0.00 0.00 31.29 33.20 1dmo h VAL 55 CO 0.09 0.17 0.04 -0.67 -1.23 0.00 0.00 177.57 175.98 1dmo n ASP 56 N -3.02 2.55 -0.27 4.19 2.03 -0.26 -4.17 116.55 117.59 1dmo n ASP 56 Ca 0.01 -2.13 -0.05 0.00 0.52 0.00 0.00 54.79 53.14 1dmo n ASP 56 Cb 0.63 -0.53 0.06 0.00 -0.72 0.00 0.00 41.12 40.56 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo h ALA 57 N 2.00 0.96 0.10 -1.67 0.00 -1.76 -3.06 119.26 115.83 1dmo h ALA 57 Ca 0.04 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1dmo h ALA 57 Cb 1.00 -0.30 0.00 0.00 0.00 0.00 0.00 17.79 18.49 1dmo h ALA 57 CO 0.08 0.39 -0.05 0.22 0.00 0.00 0.00 179.25 179.90 1dmo h ASP 58 N 1.02 -0.11 0.00 0.00 3.58 -1.91 -3.49 116.42 115.51 1dmo h ASP 58 Ca 0.27 -0.41 0.00 0.00 0.42 0.00 0.00 57.03 57.32 1dmo h ASP 58 Cb -0.09 0.03 0.00 0.00 1.72 0.00 0.00 39.33 40.99 1dmo h ASP 58 CO -0.06 0.38 0.00 0.61 -2.88 0.00 0.00 179.24 177.29 1dmo n GLY 59 N 0.25 0.62 1.03 -0.78 0.00 -1.16 -5.10 105.19 100.05 1dmo n GLY 59 Ca -0.08 -0.74 -0.00 0.00 0.00 0.00 0.00 46.02 45.20 1dmo n GLY 59 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 60 N 0.00 0.98 0.00 1.61 4.05 -1.26 -5.05 115.26 115.60 1dmo n ASN 60 Ca 0.00 0.12 0.00 0.00 0.45 0.00 0.00 54.58 55.15 1dmo n ASN 60 Cb 0.00 -0.30 0.00 0.00 1.23 0.00 0.00 39.78 40.71 1dmo n ASN 60 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dmo n GLY 61 N 3.39 0.94 3.42 8.20 0.00 -1.26 -5.09 105.19 114.79 1dmo n GLY 61 Ca -0.00 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.00 0.96 -0.03 2.61 -4.23 -1.26 -3.86 115.64 107.83 1dmo s THR 62 Ca 0.00 -2.00 0.02 0.00 -1.18 0.00 0.00 61.69 58.53 1dmo s THR 62 Cb 0.00 -2.72 0.01 0.00 1.34 0.00 0.00 72.50 71.13 1dmo s THR 62 CO 0.00 0.00 -0.09 -0.63 -0.54 0.00 0.00 174.62 173.36 1dmo s ILE 63 N -3.42 0.78 0.53 2.99 1.01 0.82 -4.82 121.20 119.09 1dmo s ILE 63 Ca 0.36 -0.33 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1dmo s ILE 63 Cb 0.08 -0.71 0.03 0.00 0.01 0.00 0.00 42.46 41.87 1dmo s ILE 63 CO 0.15 0.25 0.75 -1.81 0.00 0.00 0.00 174.94 174.28 1dmo s ASP 64 N 0.37 5.32 0.23 3.58 1.11 -1.26 -1.04 116.67 124.96 1dmo s ASP 64 Ca -0.06 -0.09 -0.08 0.00 0.18 0.00 0.00 52.55 52.51 1dmo s ASP 64 Cb -0.10 -0.82 0.25 0.00 1.07 0.00 0.00 42.92 43.32 1dmo s ASP 64 CO 0.01 -1.10 1.86 0.15 1.18 0.00 0.00 175.17 177.27 1dmo h PHE 65 N 0.15 0.95 0.39 4.23 3.57 -1.98 -1.37 116.94 122.88 1dmo h PHE 65 Ca -0.42 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.09 1dmo h PHE 65 Cb 1.29 -0.31 0.00 0.00 2.79 0.00 0.00 35.95 39.73 1dmo h PHE 65 CO 0.37 0.53 -0.19 -1.00 -2.23 0.00 0.00 178.31 175.79 1dmo h PRO 66 N 0.98 -0.50 -0.66 6.41 0.13 -1.95 -2.07 132.00 134.34 1dmo h PRO 66 Ca 0.33 0.03 0.09 0.00 -0.87 0.00 0.00 66.00 65.58 1dmo h PRO 66 Cb 0.05 0.11 -0.04 0.00 0.13 0.00 0.00 31.00 31.25 1dmo h PRO 66 CO -0.13 -0.33 0.43 0.93 -0.23 0.00 0.00 178.00 178.67 1dmo h GLU 67 N -0.52 0.52 -0.66 0.86 5.08 -1.91 0.98 114.58 118.92 1dmo h GLU 67 Ca -0.05 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1dmo h GLU 67 Cb 0.40 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1dmo h GLU 67 CO 0.09 0.34 0.33 0.35 -1.00 0.00 0.00 179.01 179.12 1dmo h PHE 68 N 0.53 0.92 0.37 4.33 3.57 -0.66 -2.54 116.94 123.47 1dmo h PHE 68 Ca 0.30 -0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.75 1dmo h PHE 68 Cb 0.47 -0.29 0.00 0.00 2.79 0.00 0.00 35.95 38.92 1dmo h PHE 68 CO -0.00 0.66 -0.18 -0.07 -2.23 0.00 0.00 178.31 176.49 1dmo h LEU 69 N 0.93 -0.43 -0.89 0.59 3.38 -0.15 0.32 115.31 119.07 1dmo h LEU 69 Ca 0.23 -0.01 0.24 0.00 0.09 0.00 0.00 57.88 58.43 1dmo h LEU 69 Cb 0.07 0.11 -0.15 0.00 0.09 0.00 0.00 40.66 40.78 1dmo h LEU 69 CO -0.03 -0.28 0.12 0.74 0.09 0.00 0.00 178.44 179.08 1dmo h THR 70 N -0.54 0.21 0.00 0.22 2.02 -1.13 1.76 112.91 115.45 1dmo h THR 70 Ca -0.05 -0.04 -0.12 0.00 0.77 0.00 0.00 66.41 66.97 1dmo h THR 70 Cb 0.41 0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.89 1dmo h THR 70 CO 0.08 0.02 -0.58 -0.03 0.37 0.00 0.00 175.52 175.39 1dmo h MET 71 N 0.11 0.00 0.00 6.66 1.85 -1.02 -2.00 114.93 120.53 1dmo h MET 71 Ca 0.55 0.00 -0.00 0.00 -0.61 0.00 0.00 59.70 59.63 1dmo h MET 71 Cb 1.10 0.00 -0.00 0.00 0.43 0.00 0.00 31.60 33.13 1dmo h MET 71 CO -0.75 0.58 -0.02 1.98 -0.40 0.00 0.00 176.91 178.30 1dmo h MET 72 N 0.00 0.00 0.12 0.39 -1.53 0.62 -3.10 114.93 111.42 1dmo h MET 72 Ca -0.01 0.00 -0.30 0.00 -3.44 0.00 0.00 59.70 55.95 1dmo h MET 72 Cb 1.14 0.00 -0.01 0.00 -0.55 0.00 0.00 31.60 32.18 1dmo h MET 72 CO 0.08 0.02 -1.58 0.00 0.14 0.00 0.00 176.91 175.56 1dmo h ALA 73 N 1.98 0.24 0.13 0.39 0.00 0.87 -3.14 119.26 119.73 1dmo h ALA 73 Ca -0.00 -1.18 0.02 0.00 0.00 0.00 0.00 54.91 53.75 1dmo h ALA 73 Cb 0.91 0.56 -0.04 0.00 0.00 0.00 0.00 17.79 19.22 1dmo h ALA 73 CO 0.00 0.96 -0.29 0.00 0.00 0.00 0.00 179.25 179.92 1dmo h ARG 74 N -0.23 -0.49 -0.21 0.00 3.08 -1.42 1.69 114.38 116.79 1dmo h ARG 74 Ca -0.34 0.03 0.04 0.00 0.07 0.00 0.00 59.98 59.78 1dmo h ARG 74 Cb 1.83 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 31.98 1dmo h ARG 74 CO 0.06 -0.33 0.15 -0.22 -1.07 0.00 0.00 179.97 178.56 1dmo h LYS 75 N -0.51 0.12 -0.54 0.04 1.63 -1.71 0.11 116.57 115.71 1dmo h LYS 75 Ca 0.03 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 1dmo h LYS 75 Cb 0.53 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.14 1dmo h LYS 75 CO -0.16 0.08 0.00 -1.33 -3.45 0.00 0.00 179.45 174.59 1dmo n MET 76 N -4.50 4.50 -2.07 1.90 2.81 -0.03 -5.01 117.12 114.73 1dmo n MET 76 Ca 0.01 -3.09 -0.01 0.00 -1.81 0.00 0.00 57.70 52.80 1dmo n MET 76 Cb 0.20 -2.16 -0.01 0.00 -0.71 0.00 0.00 33.22 30.54 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 0.53 -3.62 -1.51 0.03 4.81 0.56 -4.51 118.16 114.44 1dmo n LYS 77 Ca 0.27 2.79 -0.27 0.00 -0.87 0.00 0.00 58.31 60.24 1dmo n LYS 77 Cb 1.12 -3.66 -0.19 0.00 0.02 0.00 0.00 35.03 32.31 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1dmo n ASP 78 N 1.29 -0.67 0.00 3.14 -0.08 -0.60 -4.62 116.55 115.01 1dmo n ASP 78 Ca -0.09 -0.44 0.00 0.00 -1.51 0.00 0.00 54.79 52.75 1dmo n ASP 78 Cb 0.15 -0.75 0.00 0.00 2.34 0.00 0.00 41.12 42.86 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 0.12 0.00 0.00 177.20 177.73 1dmo n THR 79 N 6.33 0.00 -2.27 5.18 -1.04 -1.26 -4.10 114.28 117.12 1dmo n THR 79 Ca 0.65 0.00 0.04 0.00 -2.04 0.00 0.00 64.05 62.70 1dmo n THR 79 Cb 0.15 0.00 0.06 0.00 -1.82 0.00 0.00 70.33 68.72 1dmo n THR 79 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1dmo n ASP 80 N -2.99 1.14 0.03 8.00 5.75 -1.26 -4.83 116.55 122.39 1dmo n ASP 80 Ca 0.00 -2.44 0.00 0.00 -0.01 0.00 0.00 54.79 52.34 1dmo n ASP 80 Cb 0.00 -0.35 0.00 0.00 -1.03 0.00 0.00 41.12 39.74 1dmo n ASP 80 CO 0.00 0.00 0.00 -1.20 -0.11 0.00 0.00 177.20 175.89 1dmo n SER 81 N 0.11 0.30 0.23 -1.12 7.64 -1.26 -4.63 113.62 114.88 1dmo n SER 81 Ca 0.09 0.08 0.07 0.00 1.01 0.00 0.00 58.87 60.12 1dmo n SER 81 Cb 1.03 -0.06 0.35 0.00 -1.01 0.00 0.00 64.21 64.53 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -3.01 0.00 0.00 175.04 171.70 1dmo h GLU 82 N 0.00 0.00 0.08 1.43 5.08 -1.91 0.49 114.58 119.75 1dmo h GLU 82 Ca 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.36 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 -0.04 0.93 -1.00 0.00 0.00 179.01 178.90 1dmo h GLU 83 N 0.00 -0.10 -0.96 2.33 5.08 -1.83 0.22 114.58 119.32 1dmo h GLU 83 Ca 0.00 0.01 0.17 0.00 -1.00 0.00 0.00 59.36 58.54 1dmo h GLU 83 Cb 0.97 0.02 -0.10 0.00 0.50 0.00 0.00 28.75 30.15 1dmo h GLU 83 CO 0.00 0.37 0.56 1.49 -1.00 0.00 0.00 179.01 180.43 1dmo h GLU 84 N -0.62 0.72 -0.14 2.33 4.81 -0.27 0.58 114.58 121.99 1dmo h GLU 84 Ca -0.01 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.12 1dmo h GLU 84 Cb 0.51 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.73 1dmo h GLU 84 CO 0.02 0.48 -0.12 0.82 -0.73 0.00 0.00 179.01 179.48 1dmo h ILE 85 N 0.75 1.34 -1.00 2.32 2.04 -1.40 -2.58 117.51 118.98 1dmo h ILE 85 Ca 0.54 -1.25 0.23 0.00 1.00 0.00 0.00 64.86 65.38 1dmo h ILE 85 Cb 0.79 1.85 -0.09 0.00 -0.74 0.00 0.00 36.82 38.63 1dmo h ILE 85 CO -0.37 0.37 0.63 -0.09 0.00 0.00 0.00 178.15 178.69 1dmo h ARG 86 N -0.04 0.51 0.07 2.37 2.43 0.15 -0.63 114.38 119.25 1dmo h ARG 86 Ca 0.03 -0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1dmo h ARG 86 Cb 0.63 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1dmo h ARG 86 CO 0.03 0.34 -0.03 1.49 -1.51 0.00 0.00 179.97 180.29 1dmo h GLU 87 N 0.53 -0.09 -1.30 0.20 4.57 -0.86 -1.55 114.58 116.07 1dmo h GLU 87 Ca 0.57 0.01 0.38 0.00 -1.18 0.00 0.00 59.36 59.13 1dmo h GLU 87 Cb 1.22 0.02 -0.05 0.00 -0.16 0.00 0.00 28.75 29.78 1dmo h GLU 87 CO -0.31 0.32 1.08 0.00 -1.18 0.00 0.00 179.01 178.92 1dmo h ALA 88 N 0.34 3.20 0.07 2.92 0.00 -0.72 0.52 119.26 125.60 1dmo h ALA 88 Ca -0.01 -0.05 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 1dmo h ALA 88 Cb 0.46 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1dmo h ALA 88 CO 0.02 -1.75 -1.17 0.74 0.00 0.00 0.00 179.25 177.09 1dmo h PHE 89 N 0.00 0.27 0.00 0.00 0.04 -1.18 -3.29 116.94 112.78 1dmo h PHE 89 Ca 0.62 -0.19 0.00 0.00 2.80 0.00 0.00 57.97 61.19 1dmo h PHE 89 Cb 2.77 -0.01 0.00 0.00 2.20 0.00 0.00 35.95 40.91 1dmo h PHE 89 CO 0.00 1.46 0.19 -2.13 -0.60 0.00 0.00 178.31 177.22 1dmo n ARG 90 N -4.15 0.06 0.00 1.51 0.63 0.17 -0.46 116.66 114.42 1dmo n ARG 90 Ca -0.25 0.48 0.04 0.00 -0.92 0.00 0.00 57.85 57.21 1dmo n ARG 90 Cb 0.78 -1.87 0.21 0.00 0.45 0.00 0.00 32.46 32.04 1dmo n ARG 90 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40 1dmo n VAL 91 N -1.77 0.76 -2.60 5.15 0.31 -0.63 -2.15 118.33 117.40 1dmo n VAL 91 Ca -0.01 0.19 -0.06 0.00 -0.01 0.00 0.00 64.34 64.45 1dmo n VAL 91 Cb 0.20 -1.05 0.04 0.00 -0.91 0.00 0.00 33.84 32.12 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 -1.26 1.58 -2.84 3.52 3.72 0.39 -4.94 117.46 117.63 1dmo n PHE 92 Ca 0.04 -2.09 -0.43 0.00 -0.05 0.00 0.00 57.45 54.92 1dmo n PHE 92 Cb 0.06 -0.26 0.01 0.00 -0.94 0.00 0.00 39.48 38.36 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 -0.60 6.42 0.00 4.37 -0.08 -0.91 -4.62 116.55 121.13 1dmo n ASP 93 Ca 0.17 -3.40 0.00 0.00 -1.51 0.00 0.00 54.79 50.04 1dmo n ASP 93 Cb 0.85 -1.29 0.00 0.00 2.34 0.00 0.00 41.12 43.03 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 0.12 0.00 0.00 177.20 177.61 1dmo n LYS 94 N 1.49 0.00 -2.77 -0.67 5.02 -1.26 -4.41 118.16 115.56 1dmo n LYS 94 Ca 0.31 0.30 -0.10 0.00 -2.02 0.00 0.00 58.31 56.81 1dmo n LYS 94 Cb 0.32 -0.75 0.05 0.00 -0.02 0.00 0.00 35.03 34.64 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 -0.64 -0.04 0.00 4.39 2.03 -1.26 -5.04 116.55 115.99 1dmo n ASP 95 Ca 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.51 1dmo n ASP 95 Cb 0.00 0.17 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -0.11 0.60 0.00 0.27 0.00 -1.26 -5.08 105.19 99.60 1dmo n GLY 96 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 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 0.00 0.00 0.00 1.61 5.03 -1.26 -5.00 115.26 115.64 1dmo n ASN 97 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1dmo n ASN 97 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 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 0.00 0.00 3.18 7.41 0.00 -1.26 -5.11 105.19 109.41 1dmo n GLY 98 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 0.09 0.08 1.61 2.02 -1.26 -3.96 117.35 115.93 1dmo s TYR 99 Ca 0.00 -0.36 -0.16 0.00 -0.37 0.00 0.00 57.07 56.18 1dmo s TYR 99 Cb 0.00 -0.04 0.03 0.00 -0.40 0.00 0.00 41.96 41.55 1dmo s TYR 99 CO 0.00 -0.45 0.38 0.96 -1.57 0.00 0.00 175.55 174.87 1dmo s ILE 100 N -2.88 0.07 0.11 2.71 -4.36 -0.88 -4.52 121.20 111.46 1dmo s ILE 100 Ca -0.03 -0.57 -0.31 0.00 -0.26 0.00 0.00 60.65 59.48 1dmo s ILE 100 Cb 0.00 -1.07 -0.08 0.00 1.25 0.00 0.00 42.46 42.56 1dmo s ILE 100 CO -0.06 -0.32 1.37 -0.44 0.24 0.00 0.00 174.94 175.74 1dmo s SER 101 N -2.43 6.84 0.65 4.36 0.01 -1.26 -0.12 113.70 121.75 1dmo s SER 101 Ca -0.01 2.31 0.28 0.00 1.31 0.00 0.00 55.95 59.84 1dmo s SER 101 Cb 0.01 -2.59 1.53 0.00 0.21 0.00 0.00 66.02 65.18 1dmo s SER 101 CO -0.07 -0.64 1.88 0.00 0.41 0.00 0.00 173.24 174.82 1dmo h ALA 102 N 6.76 1.56 0.33 1.44 0.00 -1.24 -1.39 119.26 126.73 1dmo h ALA 102 Ca -0.42 -0.00 -0.02 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 0.86 -0.45 -0.16 0.00 0.00 0.00 0.00 179.25 179.50 1dmo h ALA 103 N 1.32 -0.70 -0.84 0.00 0.00 -1.88 -1.89 119.26 115.26 1dmo h ALA 103 Ca 0.05 -0.10 0.19 0.00 0.00 0.00 0.00 54.91 55.05 1dmo h ALA 103 Cb 0.84 0.17 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 1dmo h ALA 103 CO -0.00 -0.67 0.56 0.93 0.00 0.00 0.00 179.25 180.07 1dmo h GLU 104 N -0.67 0.36 -0.03 0.00 4.39 -1.76 0.17 114.58 117.05 1dmo h GLU 104 Ca -0.05 -0.02 0.01 0.00 0.34 0.00 0.00 59.36 59.65 1dmo h GLU 104 Cb 0.34 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.89 1dmo h GLU 104 CO 0.07 0.24 -0.05 1.25 -1.16 0.00 0.00 179.01 179.36 1dmo h LEU 105 N 0.37 -0.16 -1.63 1.33 6.46 -1.20 0.43 115.31 120.91 1dmo h LEU 105 Ca 0.43 0.03 0.24 0.00 -0.12 0.00 0.00 57.88 58.46 1dmo h LEU 105 Cb 1.09 0.07 -0.06 0.00 -0.73 0.00 0.00 40.66 41.02 1dmo h LEU 105 CO -0.14 -0.08 0.65 -0.09 -0.62 0.00 0.00 178.44 178.16 1dmo h ARG 106 N -0.08 0.26 0.01 1.25 2.43 -0.11 0.91 114.38 119.05 1dmo h ARG 106 Ca 0.03 -0.02 -0.21 0.00 -0.81 0.00 0.00 59.98 58.98 1dmo h ARG 106 Cb 0.12 -0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 1dmo h ARG 106 CO -0.08 0.17 -0.92 1.25 -1.51 0.00 0.00 179.97 178.88 1dmo h HIS 107 N 0.27 0.36 -0.04 2.20 2.76 -0.60 -2.94 115.15 117.16 1dmo h HIS 107 Ca 0.50 -0.21 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 1dmo h HIS 107 Cb 1.48 -0.04 -0.00 0.00 1.55 0.00 0.00 27.41 30.40 1dmo h HIS 107 CO -0.00 1.04 0.02 0.28 -1.30 0.00 0.00 177.93 177.96 1dmo h VAL 108 N 0.13 1.02 0.03 5.26 2.07 0.51 -0.93 116.25 124.33 1dmo h VAL 108 Ca -0.06 -0.07 -0.22 0.00 0.82 0.00 0.00 66.70 67.18 1dmo h VAL 108 Cb 1.57 0.97 -0.02 0.00 -1.52 0.00 0.00 31.29 32.29 1dmo h VAL 108 CO 0.15 0.02 -1.00 0.24 0.02 0.00 0.00 177.57 177.00 1dmo h MET 109 N 0.06 0.09 0.35 1.57 2.07 -1.18 -2.72 114.93 115.18 1dmo h MET 109 Ca 0.02 -0.14 -0.02 0.00 -2.07 0.00 0.00 59.70 57.49 1dmo h MET 109 Cb 0.02 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 29.80 1dmo h MET 109 CO -0.00 1.01 -0.17 1.15 1.07 0.00 0.00 176.91 179.97 1dmo h THR 110 N 0.04 0.66 -0.64 2.22 2.02 -1.01 0.52 112.91 116.72 1dmo h THR 110 Ca -0.04 -0.23 -0.01 0.00 0.77 0.00 0.00 66.41 66.90 1dmo h THR 110 Cb 1.71 0.79 -0.03 0.00 -1.74 0.00 0.00 68.15 68.88 1dmo h THR 110 CO 0.14 0.05 0.36 0.78 0.37 0.00 0.00 175.52 177.22 1dmo h ASN 111 N -0.60 0.79 0.00 4.18 -0.26 -1.53 -3.29 115.58 114.87 1dmo h ASN 111 Ca -0.05 -0.09 0.00 0.00 -0.56 0.00 0.00 56.30 55.60 1dmo h ASN 111 Cb 0.44 -0.20 0.00 0.00 -1.06 0.00 0.00 38.32 37.50 1dmo h ASN 111 CO 0.08 0.65 0.00 -0.11 -1.06 0.00 0.00 177.43 176.99 1dmo n LEU 112 N -4.55 0.39 -1.57 1.61 7.94 -1.03 -4.91 117.00 114.87 1dmo n LEU 112 Ca 0.05 0.64 -0.13 0.00 -1.11 0.00 0.00 56.01 55.46 1dmo n LEU 112 Cb 0.08 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.71 1dmo n LEU 112 CO 0.37 -0.32 -0.10 0.61 -1.11 0.00 0.00 177.39 176.83 1dmo n GLY 113 N 0.27 -0.10 0.43 -3.96 0.00 0.18 -4.91 105.19 97.10 1dmo n GLY 113 Ca 0.00 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.58 1dmo n GLY 113 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1dmo h GLU 114 N -0.29 -0.30 0.00 1.61 4.39 -1.91 -3.40 114.58 114.68 1dmo h GLU 114 Ca -0.30 0.02 -0.07 0.00 0.34 0.00 0.00 59.36 59.35 1dmo h GLU 114 Cb 1.22 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.87 1dmo h GLU 114 CO 0.34 -0.20 -0.15 0.36 -1.16 0.00 0.00 179.01 178.20 1dmo n LYS 115 N -5.38 0.00 -3.73 2.33 2.85 -1.26 -5.10 118.16 107.87 1dmo n LYS 115 Ca -0.01 -0.51 -0.28 0.00 -1.05 0.00 0.00 58.31 56.46 1dmo n LYS 115 Cb 0.34 0.45 -0.16 0.00 -0.65 0.00 0.00 35.03 35.00 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1dmo s LEU 116 N 0.00 1.17 0.00 -5.58 1.02 -1.26 -5.10 118.68 108.92 1dmo s LEU 116 Ca 0.00 -0.82 -0.10 0.00 0.02 0.00 0.00 54.13 53.23 1dmo s LEU 116 Cb 0.00 -0.59 0.15 0.00 0.02 0.00 0.00 46.19 45.77 1dmo s LEU 116 CO 0.00 -0.31 0.55 0.35 0.02 0.00 0.00 176.35 176.96 1dmo n THR 117 N 5.05 0.00 0.17 5.49 -2.24 -1.26 -4.66 114.28 116.83 1dmo n THR 117 Ca -0.09 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.30 1dmo n THR 117 Cb 0.47 -1.17 -0.08 0.00 -2.10 0.00 0.00 70.33 67.45 1dmo n THR 117 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 1dmo h ASP 118 N -1.75 -0.37 -0.67 3.42 3.32 -1.97 0.03 116.42 118.42 1dmo h ASP 118 Ca -0.20 -0.16 0.14 0.00 0.02 0.00 0.00 57.03 56.82 1dmo h ASP 118 Cb 0.61 0.10 -0.13 0.00 0.22 0.00 0.00 39.33 40.13 1dmo h ASP 118 CO 0.13 -0.00 -0.13 -0.33 -1.72 0.00 0.00 179.24 177.20 1dmo h GLU 119 N -0.79 0.02 0.74 3.56 5.08 -1.99 0.55 114.58 121.75 1dmo h GLU 119 Ca -0.05 -0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.28 1dmo h GLU 119 Cb 0.52 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.77 1dmo h GLU 119 CO 0.07 0.02 -0.35 1.49 -1.00 0.00 0.00 179.01 179.23 1dmo h GLU 120 N 0.02 -0.96 -0.49 2.33 4.22 -1.90 -1.66 114.58 116.15 1dmo h GLU 120 Ca 0.33 0.07 0.14 0.00 0.08 0.00 0.00 59.36 59.98 1dmo h GLU 120 Cb 0.53 0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.97 1dmo h GLU 120 CO -0.67 -0.63 0.51 0.28 -2.18 0.00 0.00 179.01 176.32 1dmo h VAL 121 N -1.03 0.36 -0.02 0.32 2.07 0.36 -0.44 116.25 117.88 1dmo h VAL 121 Ca -0.10 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1dmo h VAL 121 Cb 0.77 0.60 0.00 0.00 -1.52 0.00 0.00 31.29 31.14 1dmo h VAL 121 CO 0.17 0.00 -0.11 -0.78 0.02 0.00 0.00 177.57 176.86 1dmo h ASP 122 N 0.00 0.14 0.15 0.57 1.82 0.92 0.15 116.42 120.16 1dmo h ASP 122 Ca 0.23 -0.68 -0.01 0.00 -0.39 0.00 0.00 57.03 56.19 1dmo h ASP 122 Cb 1.26 -0.04 -0.00 0.00 0.68 0.00 0.00 39.33 41.22 1dmo h ASP 122 CO -0.00 0.79 -0.03 -0.08 -1.61 0.00 0.00 179.24 178.31 1dmo h GLU 123 N -0.51 0.00 0.00 0.28 4.22 -0.30 -2.09 114.58 116.18 1dmo h GLU 123 Ca -0.01 0.00 -0.14 0.00 0.08 0.00 0.00 59.36 59.29 1dmo h GLU 123 Cb 0.79 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.02 1dmo h GLU 123 CO 0.02 0.03 -0.89 1.98 -2.18 0.00 0.00 179.01 177.98 1dmo h MET 124 N 0.00 0.00 -0.24 1.92 4.05 -1.30 -3.34 114.93 116.03 1dmo h MET 124 Ca -0.00 0.00 0.07 0.00 -0.28 0.00 0.00 59.70 59.49 1dmo h MET 124 Cb 0.12 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 30.91 1dmo h MET 124 CO 0.00 0.72 0.46 0.82 0.23 0.00 0.00 176.91 179.15 1dmo h ILE 125 N -1.00 0.17 -0.56 1.77 2.04 -0.56 0.30 117.51 119.67 1dmo h ILE 125 Ca -0.21 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.65 1dmo h ILE 125 Cb 1.03 0.59 -0.03 0.00 -0.74 0.00 0.00 36.82 37.67 1dmo h ILE 125 CO -0.13 0.00 0.36 -0.09 0.00 0.00 0.00 178.15 178.29 1dmo h ARG 126 N 0.00 0.75 -0.96 2.37 1.12 -1.49 -2.88 114.38 113.28 1dmo h ARG 126 Ca 0.11 -0.05 -0.56 0.00 -1.11 0.00 0.00 59.98 58.38 1dmo h ARG 126 Cb 1.03 -0.17 -0.43 0.00 -0.01 0.00 0.00 29.97 30.40 1dmo h ARG 126 CO -0.00 0.50 -0.80 -1.91 -3.11 0.00 0.00 179.97 174.65 1dmo n GLU 127 N -4.44 3.52 -0.00 0.20 2.13 0.10 -4.82 120.64 117.33 1dmo n GLU 127 Ca 0.05 -4.25 0.00 0.00 0.66 0.00 0.00 57.16 53.62 1dmo n GLU 127 Cb 0.05 -2.25 0.00 0.00 0.27 0.00 0.00 31.44 29.51 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1dmo n ALA 128 N -0.64 2.21 -4.07 4.31 0.00 -1.09 -4.76 120.51 116.47 1dmo n ALA 128 Ca 0.42 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.47 1dmo n ALA 128 Cb 0.88 -1.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 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 0.66 -2.70 -4.85 0.00 3.02 -1.26 -4.68 115.26 105.44 1dmo n ASN 129 Ca 0.00 -1.23 -0.31 0.00 -0.03 0.00 0.00 54.58 53.01 1dmo n ASN 129 Cb 0.35 -2.02 0.02 0.00 -0.61 0.00 0.00 39.78 37.51 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1dmo s ILE 130 N -3.77 4.44 0.23 2.41 1.01 -1.26 -4.78 121.20 119.47 1dmo s ILE 130 Ca 0.33 0.86 0.01 0.00 0.00 0.00 0.00 60.65 61.85 1dmo s ILE 130 Cb -0.17 -3.69 -0.03 0.00 0.01 0.00 0.00 42.46 38.58 1dmo s ILE 130 CO 0.96 -0.97 1.56 0.44 0.00 0.00 0.00 174.94 176.93 1dmo h ASP 131 N -0.24 0.43 0.00 3.58 5.19 -1.91 -3.46 116.42 120.01 1dmo h ASP 131 Ca -0.44 -0.22 0.00 0.00 -0.62 0.00 0.00 57.03 55.74 1dmo h ASP 131 Cb 1.20 -0.12 0.00 0.00 0.18 0.00 0.00 39.33 40.58 1dmo h ASP 131 CO 0.60 0.89 0.00 0.61 -3.12 0.00 0.00 179.24 178.22 1dmo n GLY 132 N 0.18 0.54 0.00 2.75 0.00 -1.26 -5.05 105.19 102.35 1dmo n GLY 132 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 8.00 -1.26 -5.01 116.55 119.89 1dmo n ASP 133 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1dmo n ASP 133 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1dmo n ASP 133 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 134 N 2.53 0.50 3.69 0.44 0.00 -1.26 -5.08 105.19 106.01 1dmo n GLY 134 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 4.37 -0.22 1.61 -0.21 -1.26 -0.67 119.66 123.28 1dmo s GLN 135 Ca 0.00 1.59 -0.02 0.00 0.02 0.00 0.00 55.36 56.94 1dmo s GLN 135 Cb 0.00 -3.56 0.01 0.00 1.00 0.00 0.00 33.01 30.46 1dmo s GLN 135 CO 0.00 -0.42 -0.08 0.08 -2.12 0.00 0.00 175.29 172.75 1dmo s VAL 136 N 2.20 3.00 -1.15 1.09 1.01 0.82 -3.91 120.40 123.46 1dmo s VAL 136 Ca 0.53 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.58 1dmo s VAL 136 Cb -0.23 -2.38 -0.11 0.00 0.00 0.00 0.00 36.38 33.66 1dmo s VAL 136 CO 0.20 0.39 1.94 -0.46 0.00 0.00 0.00 175.10 177.18 1dmo n ASN 137 N 4.73 2.92 -0.58 3.32 6.94 -1.26 -2.07 115.26 129.26 1dmo n ASN 137 Ca -0.18 -2.68 0.47 0.00 -0.02 0.00 0.00 54.58 52.16 1dmo n ASN 137 Cb 0.50 -1.69 0.78 0.00 -2.36 0.00 0.00 39.78 37.00 1dmo n ASN 137 CO 0.00 0.00 0.00 0.10 -1.03 0.00 0.00 177.26 176.33 1dmo h TYR 138 N 9.71 0.10 -0.71 -2.53 -0.00 -1.90 0.50 116.97 122.14 1dmo h TYR 138 Ca 0.22 0.00 0.09 0.00 0.00 0.00 0.00 58.73 59.05 1dmo h TYR 138 Cb 0.92 -0.02 -0.07 0.00 0.00 0.00 0.00 36.73 37.56 1dmo h TYR 138 CO 1.20 -0.04 0.35 1.05 -0.00 0.00 0.00 178.16 180.72 1dmo h GLU 139 N 0.02 0.59 -0.02 0.10 4.11 -1.85 1.09 114.58 118.62 1dmo h GLU 139 Ca 0.84 -0.04 -0.18 0.00 0.07 0.00 0.00 59.36 60.05 1dmo h GLU 139 Cb 3.23 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 32.34 1dmo h GLU 139 CO -0.08 0.39 -0.80 0.93 0.07 0.00 0.00 179.01 179.51 1dmo h GLU 140 N 0.60 0.21 0.00 1.06 4.39 -0.37 -2.90 114.58 117.58 1dmo h GLU 140 Ca 0.35 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.79 1dmo h GLU 140 Cb 0.37 0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 1dmo h GLU 140 CO -0.27 0.91 -0.23 0.35 -1.16 0.00 0.00 179.01 178.61 1dmo h PHE 141 N 0.13 0.00 -0.37 4.33 3.04 -0.50 0.18 116.94 123.75 1dmo h PHE 141 Ca -0.03 0.00 -0.16 0.00 3.98 0.00 0.00 57.97 61.76 1dmo h PHE 141 Cb 1.40 0.00 -0.01 0.00 2.56 0.00 0.00 35.95 39.90 1dmo h PHE 141 CO 0.03 0.23 -0.39 0.28 -2.02 0.00 0.00 178.31 176.44 1dmo h VAL 142 N 0.00 1.27 0.00 1.41 2.07 0.13 -1.70 116.25 119.44 1dmo h VAL 142 Ca -0.00 -1.57 -0.24 0.00 0.82 0.00 0.00 66.70 65.71 1dmo h VAL 142 Cb 0.58 1.40 -0.04 0.00 -1.52 0.00 0.00 31.29 31.70 1dmo h VAL 142 CO 0.03 0.52 -1.43 -0.61 0.02 0.00 0.00 177.57 176.10 1dmo h GLN 143 N 0.74 0.00 0.00 1.57 4.15 -1.48 -3.31 115.11 116.78 1dmo h GLN 143 Ca 0.06 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.48 1dmo h GLN 143 Cb 0.98 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.67 1dmo h GLN 143 CO 0.10 0.56 0.00 1.98 -1.93 0.00 0.00 178.83 179.53 1dmo h MET 144 N 0.00 0.00 0.00 1.69 4.05 -0.63 -2.92 114.93 117.12 1dmo h MET 144 Ca -0.19 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.23 1dmo h MET 144 Cb 1.84 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 32.64 1dmo h MET 144 CO 0.08 0.00 0.00 -0.12 0.23 0.00 0.00 176.91 177.10 1dmo n MET 145 N -2.76 0.14 0.00 0.39 1.56 -0.64 -1.74 117.12 114.07 1dmo n MET 145 Ca 0.03 0.40 0.11 0.00 -0.27 0.00 0.00 57.70 57.97 1dmo n MET 145 Cb 0.38 -1.78 0.01 0.00 2.15 0.00 0.00 33.22 33.98 1dmo n MET 145 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1dmo n THR 146 N -2.05 0.00 0.00 1.12 -1.04 -1.10 -4.89 114.28 106.32 1dmo n THR 146 Ca 0.02 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1dmo n THR 146 Cb 0.19 0.73 0.00 0.00 -1.82 0.00 0.00 70.33 69.43 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 -1.49 0.00 0.00 2.41 0.00 -0.71 -5.18 120.51 115.53 1dmo n ALA 147 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.49 1dmo n ALA 147 Cb 0.33 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.78 1dmo n ALA 147 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67