#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 -1.33 -3.46 0.00 -0.08 -1.26 -4.83 116.55 105.59 1dmo n ASP 2 Ca 0.00 0.45 -0.17 0.00 -1.51 0.00 0.00 54.79 53.56 1dmo n ASP 2 Cb 0.00 -1.27 -0.12 0.00 2.34 0.00 0.00 41.12 42.07 1dmo n ASP 2 CO 0.00 0.00 0.00 -1.58 0.12 0.00 0.00 177.20 175.74 1dmo s GLN 3 N -4.91 0.23 0.00 -0.67 2.00 -1.26 -5.10 119.66 109.95 1dmo s GLN 3 Ca 0.00 0.19 0.00 0.00 -2.00 0.00 0.00 55.36 53.55 1dmo s GLN 3 Cb 0.00 -1.04 0.00 0.00 0.80 0.00 0.00 33.01 32.77 1dmo s GLN 3 CO 0.00 -0.71 0.00 1.28 -0.50 0.00 0.00 175.29 175.36 1dmo n LEU 4 N 5.32 0.00 -4.73 3.68 4.77 -1.26 -4.51 117.00 120.27 1dmo n LEU 4 Ca -0.05 0.00 -0.41 0.00 -0.03 0.00 0.00 56.01 55.52 1dmo n LEU 4 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.54 1dmo n LEU 4 CO 0.07 -1.24 0.65 -0.89 -1.33 0.00 0.00 177.39 174.64 1dmo s THR 5 N -0.78 4.56 0.19 -5.08 2.01 -1.26 -4.93 115.64 110.35 1dmo s THR 5 Ca 0.00 2.03 -0.15 0.00 0.31 0.00 0.00 61.69 63.88 1dmo s THR 5 Cb 0.00 -4.30 0.16 0.00 0.01 0.00 0.00 72.50 68.36 1dmo s THR 5 CO 0.00 0.30 1.65 -0.33 -0.69 0.00 0.00 174.62 175.56 1dmo h GLU 6 N 5.72 0.02 -0.59 4.92 3.07 -1.99 0.20 114.58 125.93 1dmo h GLU 6 Ca -0.43 -0.00 -0.05 0.00 -0.50 0.00 0.00 59.36 58.38 1dmo h GLU 6 Cb 1.21 -0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 29.09 1dmo h GLU 6 CO 0.72 0.01 0.19 1.05 -1.40 0.00 0.00 179.01 179.58 1dmo h GLU 7 N 0.02 0.91 -0.51 2.33 -0.00 -1.99 -1.25 114.58 114.09 1dmo h GLU 7 Ca 0.25 -0.20 0.03 0.00 -0.00 0.00 0.00 59.36 59.44 1dmo h GLU 7 Cb 0.38 -0.13 -0.03 0.00 -0.00 0.00 0.00 28.75 28.97 1dmo h GLU 7 CO -0.51 0.82 0.34 0.37 -0.00 0.00 0.00 179.01 180.03 1dmo h GLN 8 N 0.83 0.57 0.00 1.06 5.75 -1.52 0.18 115.11 121.99 1dmo h GLN 8 Ca 0.19 -0.03 -0.09 0.00 -0.15 0.00 0.00 58.65 58.57 1dmo h GLN 8 Cb 0.28 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.69 1dmo h GLN 8 CO -0.01 0.38 -0.42 0.82 -2.65 0.00 0.00 178.83 176.95 1dmo h ILE 9 N 0.59 0.98 0.01 2.39 2.04 0.09 -2.08 117.51 121.53 1dmo h ILE 9 Ca 0.21 -1.66 -0.00 0.00 1.00 0.00 0.00 64.86 64.41 1dmo h ILE 9 Cb 0.09 1.99 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1dmo h ILE 9 CO -0.05 0.41 -0.01 0.00 0.00 0.00 0.00 178.15 178.51 1dmo h ALA 10 N 1.58 -0.02 0.00 1.87 0.00 0.45 -1.45 119.26 121.68 1dmo h ALA 10 Ca -0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1dmo h ALA 10 Cb 0.96 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 1dmo h ALA 10 CO 0.05 -0.23 -0.11 1.49 0.00 0.00 0.00 179.25 180.45 1dmo h GLU 11 N -0.58 0.00 0.29 0.00 4.81 -1.25 -1.90 114.58 115.95 1dmo h GLU 11 Ca -0.00 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.21 1dmo h GLU 11 Cb 0.55 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.94 1dmo h GLU 11 CO 0.00 0.11 -0.14 0.74 -0.73 0.00 0.00 179.01 179.00 1dmo h PHE 12 N 0.00 -0.36 -1.00 0.92 -1.00 -1.22 -2.81 116.94 111.48 1dmo h PHE 12 Ca -0.00 -0.01 0.12 0.00 2.81 0.00 0.00 57.97 60.90 1dmo h PHE 12 Cb 0.25 0.12 -0.08 0.00 3.61 0.00 0.00 35.95 39.85 1dmo h PHE 12 CO 0.00 -0.00 0.63 -0.22 -1.61 0.00 0.00 178.31 177.11 1dmo h LYS 13 N -0.86 0.94 -0.18 1.51 3.64 -0.96 0.12 116.57 120.77 1dmo h LYS 13 Ca -0.04 -0.06 0.05 0.00 -1.27 0.00 0.00 60.65 59.34 1dmo h LYS 13 Cb 0.52 -0.21 -0.06 0.00 -0.41 0.00 0.00 32.23 32.06 1dmo h LYS 13 CO 0.06 0.62 -0.24 0.93 -2.27 0.00 0.00 179.45 178.55 1dmo h GLU 14 N 0.97 -0.27 -0.01 1.90 4.39 -1.30 0.65 114.58 120.91 1dmo h GLU 14 Ca 0.50 0.02 -0.00 0.00 0.34 0.00 0.00 59.36 60.22 1dmo h GLU 14 Cb 0.52 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.23 1dmo h GLU 14 CO -0.26 -0.18 0.00 0.00 -1.16 0.00 0.00 179.01 177.41 1dmo h ALA 15 N 0.71 0.01 -0.66 3.43 0.00 -0.91 0.14 119.26 121.98 1dmo h ALA 15 Ca 0.12 -0.02 0.19 0.00 0.00 0.00 0.00 54.91 55.19 1dmo h ALA 15 Cb 0.46 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.22 1dmo h ALA 15 CO -0.34 -0.47 0.48 0.35 0.00 0.00 0.00 179.25 179.27 1dmo h PHE 16 N -0.04 0.00 0.00 0.00 3.57 0.16 0.10 116.94 120.73 1dmo h PHE 16 Ca 0.00 0.00 -0.19 0.00 3.53 0.00 0.00 57.97 61.31 1dmo h PHE 16 Cb 0.05 0.00 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 1dmo h PHE 16 CO -0.06 0.00 -1.36 1.03 -2.23 0.00 0.00 178.31 175.69 1dmo h SER 17 N 0.00 0.00 0.32 0.41 0.87 0.12 -3.25 113.55 112.02 1dmo h SER 17 Ca 0.31 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.80 1dmo h SER 17 Cb 1.28 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.23 1dmo h SER 17 CO -0.00 0.69 -0.33 -0.07 -0.53 0.00 0.00 176.83 176.58 1dmo h LEU 18 N 0.00 0.03 -3.41 2.23 3.38 0.18 -2.54 115.31 115.19 1dmo h LEU 18 Ca -0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.80 1dmo h LEU 18 Cb 1.67 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.41 1dmo h LEU 18 CO 0.06 0.36 0.00 0.49 0.09 0.00 0.00 178.44 179.44 1dmo n PHE 19 N -4.13 1.67 -2.05 1.13 3.72 -0.89 -4.87 117.46 112.03 1dmo n PHE 19 Ca -0.02 -0.74 -0.27 0.00 -0.05 0.00 0.00 57.45 56.36 1dmo n PHE 19 Cb 0.38 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 38.45 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 -1.10 5.06 0.00 4.37 -1.08 -0.96 -4.85 116.67 118.11 1dmo s ASP 20 Ca 0.50 -1.24 0.00 0.00 -0.52 0.00 0.00 52.55 51.30 1dmo s ASP 20 Cb 0.38 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 39.26 1dmo s ASP 20 CO 0.16 -2.96 0.22 1.17 0.52 0.00 0.00 175.17 174.28 1dmo n LYS 21 N 8.53 0.00 -0.16 4.34 4.81 -1.26 -4.78 118.16 129.63 1dmo n LYS 21 Ca 0.43 0.17 0.00 0.00 -0.87 0.00 0.00 58.31 58.03 1dmo n LYS 21 Cb 0.47 -0.72 0.00 0.00 0.02 0.00 0.00 35.03 34.80 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 22 N -0.39 0.00 0.00 3.14 8.00 -1.26 -5.05 116.55 120.99 1dmo n ASP 22 Ca 0.00 -0.84 0.00 0.00 0.71 0.00 0.00 54.79 54.66 1dmo n ASP 22 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 23 N 0.00 -1.94 0.06 0.44 0.00 -1.26 -4.91 105.19 97.58 1dmo n GLY 23 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1dmo n GLY 23 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1dmo n ASP 24 N -0.02 0.00 0.00 1.61 8.00 -1.26 -4.96 116.55 119.93 1dmo n ASP 24 Ca 0.00 -0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.34 1dmo n ASP 24 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.10 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 1.26 3.22 0.44 0.00 -1.26 -5.14 105.19 103.71 1dmo n GLY 25 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.26 0.13 0.19 2.61 -4.23 -1.26 -4.09 115.64 107.73 1dmo s THR 26 Ca 0.00 -1.17 0.09 0.00 -1.18 0.00 0.00 61.69 59.43 1dmo s THR 26 Cb 0.00 -1.37 -0.04 0.00 1.34 0.00 0.00 72.50 72.42 1dmo s THR 26 CO 0.00 -0.61 -0.08 0.27 -0.54 0.00 0.00 174.62 173.66 1dmo s ILE 27 N -3.87 3.24 0.08 2.99 -4.36 -0.07 -4.52 121.20 114.69 1dmo s ILE 27 Ca 0.06 -1.68 -0.18 0.00 -0.26 0.00 0.00 60.65 58.58 1dmo s ILE 27 Cb 0.05 -2.62 -0.07 0.00 1.25 0.00 0.00 42.46 41.07 1dmo s ILE 27 CO -0.10 -0.14 0.55 0.42 0.24 0.00 0.00 174.94 175.91 1dmo s THR 28 N -1.79 4.78 0.48 8.37 -4.23 -1.26 -0.21 115.64 121.78 1dmo s THR 28 Ca 0.26 1.13 0.42 0.00 -1.18 0.00 0.00 61.69 62.31 1dmo s THR 28 Cb -0.08 -3.86 0.62 0.00 1.34 0.00 0.00 72.50 70.52 1dmo s THR 28 CO 0.16 0.51 1.43 0.35 -0.54 0.00 0.00 174.62 176.53 1dmo n THR 29 N 1.59 -0.06 -0.11 3.99 -2.24 -1.22 0.15 114.28 116.37 1dmo n THR 29 Ca -0.10 1.44 -0.10 0.00 -2.27 0.00 0.00 64.05 63.02 1dmo n THR 29 Cb 0.51 -2.39 -0.02 0.00 -2.10 0.00 0.00 70.33 66.33 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 0.51 0.00 -0.78 2.10 -1.91 -2.25 116.57 114.25 1dmo h LYS 30 Ca 0.85 -0.12 0.00 0.00 -2.00 0.00 0.00 60.65 59.38 1dmo h LYS 30 Cb 3.24 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.50 1dmo h LYS 30 CO -0.12 0.57 0.00 0.39 -2.00 0.00 0.00 179.45 178.29 1dmo n GLU 31 N -4.65 0.05 0.08 0.07 -0.58 0.40 -3.86 120.64 112.14 1dmo n GLU 31 Ca -0.02 0.15 -0.10 0.00 -0.42 0.00 0.00 57.16 56.77 1dmo n GLU 31 Cb 0.19 -1.57 -0.06 0.00 -0.57 0.00 0.00 31.44 29.43 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 -0.95 -0.99 -4.62 5.85 -0.73 -0.79 115.31 113.08 1dmo h LEU 32 Ca 0.00 0.10 0.34 0.00 0.84 0.00 0.00 57.88 59.16 1dmo h LEU 32 Cb 0.43 0.35 -0.16 0.00 0.37 0.00 0.00 40.66 41.65 1dmo h LEU 32 CO 0.00 -0.34 0.49 1.23 -0.34 0.00 0.00 178.44 179.48 1dmo h GLY 33 N -0.46 2.01 1.27 3.75 0.00 -1.70 1.02 103.07 108.96 1dmo h GLY 33 Ca -0.01 -0.17 -0.08 0.00 0.00 0.00 0.00 47.33 47.07 1dmo h GLY 33 CO -0.16 -0.58 -0.02 -0.84 0.00 0.00 0.00 176.54 174.94 1dmo h THR 34 N 0.20 1.25 -0.05 4.70 2.02 -1.46 -2.03 112.91 117.55 1dmo h THR 34 Ca 0.74 -1.08 -0.02 0.00 0.77 0.00 0.00 66.41 66.83 1dmo h THR 34 Cb 1.76 0.88 -0.00 0.00 -1.74 0.00 0.00 68.15 69.05 1dmo h THR 34 CO -0.68 0.38 -0.04 0.58 0.37 0.00 0.00 175.52 176.14 1dmo h VAL 35 N 0.81 1.36 -0.68 3.16 2.07 0.23 -2.51 116.25 120.69 1dmo h VAL 35 Ca 0.15 -1.12 0.15 0.00 0.82 0.00 0.00 66.70 66.70 1dmo h VAL 35 Cb 0.51 2.01 -0.04 0.00 -1.52 0.00 0.00 31.29 32.24 1dmo h VAL 35 CO 0.03 0.31 0.46 0.24 0.02 0.00 0.00 177.57 178.62 1dmo h MET 36 N -0.31 0.27 -0.17 1.57 2.86 -0.89 0.13 114.93 118.37 1dmo h MET 36 Ca 0.01 -0.02 -0.16 0.00 -2.06 0.00 0.00 59.70 57.47 1dmo h MET 36 Cb 0.51 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 32.10 1dmo h MET 36 CO 0.01 0.18 -0.56 -0.09 1.06 0.00 0.00 176.91 177.51 1dmo h ARG 37 N 0.28 0.53 0.00 1.72 1.12 -1.18 -2.86 114.38 113.98 1dmo h ARG 37 Ca 0.33 -0.34 0.00 0.00 -1.11 0.00 0.00 59.98 58.86 1dmo h ARG 37 Cb 0.90 0.04 0.00 0.00 -0.01 0.00 0.00 29.97 30.90 1dmo h ARG 37 CO -0.08 0.95 0.00 0.45 -3.11 0.00 0.00 179.97 178.18 1dmo n SER 38 N -3.95 0.73 -0.01 -3.80 2.88 0.32 -3.30 113.62 106.49 1dmo n SER 38 Ca -0.03 0.60 -0.16 0.00 -1.33 0.00 0.00 58.87 57.95 1dmo n SER 38 Cb 0.61 -0.78 -0.05 0.00 -0.75 0.00 0.00 64.21 63.24 1dmo n SER 38 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dmo h LEU 39 N 0.00 0.85 0.00 2.46 4.07 -0.99 -3.49 115.31 118.22 1dmo h LEU 39 Ca 0.00 -0.56 0.00 0.00 0.08 0.00 0.00 57.88 57.40 1dmo h LEU 39 Cb 0.61 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 42.10 1dmo h LEU 39 CO 0.00 1.34 0.00 0.61 -1.08 0.00 0.00 178.44 179.31 1dmo n GLY 40 N 0.67 -0.92 3.97 0.83 0.00 -1.21 -5.05 105.19 103.47 1dmo n GLY 40 Ca -0.07 0.42 -0.27 0.00 0.00 0.00 0.00 46.02 46.11 1dmo n GLY 40 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1dmo s GLN 41 N 0.00 1.11 -0.43 1.61 0.74 -1.26 -4.99 119.66 116.45 1dmo s GLN 41 Ca 0.00 -0.83 0.03 0.00 0.05 0.00 0.00 55.36 54.61 1dmo s GLN 41 Cb 0.00 -2.10 0.12 0.00 1.10 0.00 0.00 33.01 32.13 1dmo s GLN 41 CO 0.00 -1.95 0.19 0.54 -0.55 0.00 0.00 175.29 173.51 1dmo s ASN 42 N -4.83 4.13 0.88 6.67 4.22 -1.26 -3.97 114.94 120.78 1dmo s ASN 42 Ca 0.71 -2.52 -0.10 0.00 -2.14 0.00 0.00 52.86 48.80 1dmo s ASN 42 Cb -0.04 -1.31 0.13 0.00 1.28 0.00 0.00 41.25 41.30 1dmo s ASN 42 CO 0.49 -0.30 1.12 -2.84 -2.04 0.00 0.00 177.10 173.53 1dmo s PRO 43 N 0.43 1.30 0.25 3.55 0.02 -1.26 -5.02 135.00 134.27 1dmo s PRO 43 Ca 0.15 1.32 -0.02 0.00 0.02 0.00 0.00 61.00 62.47 1dmo s PRO 43 Cb -0.23 -1.78 -0.05 0.00 0.02 0.00 0.00 34.50 32.47 1dmo s PRO 43 CO -0.05 -2.36 0.47 0.99 -0.33 0.00 0.00 177.00 175.72 1dmo s THR 44 N -2.74 5.13 0.61 0.99 2.01 -1.26 -4.93 115.64 115.45 1dmo s THR 44 Ca 0.65 -0.21 0.29 0.00 0.31 0.00 0.00 61.69 62.73 1dmo s THR 44 Cb -0.21 -3.74 0.35 0.00 0.01 0.00 0.00 72.50 68.91 1dmo s THR 44 CO 0.58 -0.26 1.92 -0.08 -0.69 0.00 0.00 174.62 176.08 1dmo h GLU 45 N 1.78 0.00 0.00 4.92 4.81 -1.98 -0.52 114.58 123.59 1dmo h GLU 45 Ca -0.48 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.75 1dmo h GLU 45 Cb 1.19 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.57 1dmo h GLU 45 CO 0.67 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.95 1dmo n ALA 46 N -2.20 -0.11 -0.27 2.92 0.00 -1.26 -2.06 120.51 117.53 1dmo n ALA 46 Ca 0.04 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.57 1dmo n ALA 46 Cb 0.54 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.22 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 0.26 -0.57 0.00 4.39 -1.92 0.67 114.58 117.41 1dmo h GLU 47 Ca 0.00 -0.02 0.12 0.00 0.34 0.00 0.00 59.36 59.80 1dmo h GLU 47 Cb 0.00 -0.06 -0.10 0.00 -0.10 0.00 0.00 28.75 28.49 1dmo h GLU 47 CO 0.00 0.18 -0.03 1.25 -1.16 0.00 0.00 179.01 179.24 1dmo h LEU 48 N 0.27 -0.32 -1.12 1.33 5.85 -1.20 0.34 115.31 120.46 1dmo h LEU 48 Ca 0.47 0.15 -0.06 0.00 0.84 0.00 0.00 57.88 59.27 1dmo h LEU 48 Cb 0.84 0.27 -0.02 0.00 0.37 0.00 0.00 40.66 42.13 1dmo h LEU 48 CO -0.55 -0.12 -0.04 1.56 -0.34 0.00 0.00 178.44 178.95 1dmo h GLN 49 N 0.09 0.57 -0.64 1.25 1.08 0.78 -1.97 115.11 116.27 1dmo h GLN 49 Ca 0.29 -0.14 0.09 0.00 -1.45 0.00 0.00 58.65 57.44 1dmo h GLN 49 Cb 0.46 -0.07 -0.04 0.00 -0.05 0.00 0.00 27.48 27.78 1dmo h GLN 49 CO -0.51 0.62 0.43 0.22 -0.95 0.00 0.00 178.83 178.63 1dmo h ASP 50 N 0.54 0.46 -0.02 1.46 3.58 0.24 -1.71 116.42 120.97 1dmo h ASP 50 Ca 0.11 0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.54 1dmo h ASP 50 Cb 0.40 -0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.36 1dmo h ASP 50 CO 0.02 0.28 -0.10 0.24 -2.88 0.00 0.00 179.24 176.80 1dmo h MET 51 N 0.52 0.10 -0.00 0.28 2.86 -0.55 -3.19 114.93 114.94 1dmo h MET 51 Ca 0.29 -0.08 0.01 0.00 -2.06 0.00 0.00 59.70 57.86 1dmo h MET 51 Cb 0.46 0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.10 1dmo h MET 51 CO -0.09 0.75 -0.35 0.82 1.06 0.00 0.00 176.91 179.10 1dmo h ILE 52 N -0.53 0.00 0.00 -1.22 5.03 -1.04 0.45 117.51 120.20 1dmo h ILE 52 Ca -0.01 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.73 1dmo h ILE 52 Cb 0.77 0.00 0.00 0.00 -3.03 0.00 0.00 36.82 34.56 1dmo h ILE 52 CO 0.02 0.00 0.47 -1.13 -0.68 0.00 0.00 178.15 176.83 1dmo h ASN 53 N -0.43 0.00 0.00 1.72 -1.24 -1.45 0.20 115.58 114.38 1dmo h ASN 53 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.02 1dmo h ASN 53 Cb 0.47 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.52 1dmo h ASN 53 CO -0.24 0.00 -0.02 -0.08 -1.29 0.00 0.00 177.43 175.81 1dmo h GLU 54 N 0.00 0.00 0.00 6.67 4.22 -0.11 -3.38 114.58 121.98 1dmo h GLU 54 Ca 0.00 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.42 1dmo h GLU 54 Cb 0.94 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.18 1dmo h GLU 54 CO 0.00 0.00 -0.11 -0.39 -2.18 0.00 0.00 179.01 176.33 1dmo h VAL 55 N -0.07 0.45 -0.13 0.32 -1.51 -0.95 -2.59 116.25 111.76 1dmo h VAL 55 Ca 0.00 -0.59 -0.06 0.00 -1.23 0.00 0.00 66.70 64.82 1dmo h VAL 55 Cb 0.02 1.41 -0.04 0.00 -2.13 0.00 0.00 31.29 30.55 1dmo h VAL 55 CO 0.00 0.11 0.08 0.47 -1.23 0.00 0.00 177.57 177.00 1dmo n ASP 56 N -3.48 2.88 -0.20 4.19 9.92 0.66 -4.15 116.55 126.36 1dmo n ASP 56 Ca -0.01 -2.21 -0.06 0.00 -0.53 0.00 0.00 54.79 51.98 1dmo n ASP 56 Cb 0.27 -0.54 0.10 0.00 -0.64 0.00 0.00 41.12 40.30 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 1.93 1.04 -0.00 2.24 0.00 -1.63 -1.56 119.26 121.27 1dmo h ALA 57 Ca 0.08 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1dmo h ALA 57 Cb 1.18 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.72 1dmo h ALA 57 CO 0.14 0.62 -0.01 -3.47 0.00 0.00 0.00 179.25 176.54 1dmo n ASP 58 N -4.24 0.19 -0.91 0.00 2.03 -1.26 -4.88 116.55 107.48 1dmo n ASP 58 Ca 0.04 -0.85 -0.03 0.00 0.52 0.00 0.00 54.79 54.47 1dmo n ASP 58 Cb 0.26 -0.06 0.01 0.00 -0.72 0.00 0.00 41.12 40.61 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 59 N 1.09 0.75 0.13 0.27 0.00 -0.59 -4.97 105.19 101.88 1dmo n GLY 59 Ca 0.21 -0.56 -0.19 0.00 0.00 0.00 0.00 46.02 45.49 1dmo n GLY 59 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 1dmo h ASN 60 N -0.36 0.54 0.00 1.61 -0.73 -1.85 -3.47 115.58 111.31 1dmo h ASN 60 Ca -0.08 -0.83 0.00 0.00 1.87 0.00 0.00 56.30 57.26 1dmo h ASN 60 Cb 1.05 -0.17 0.00 0.00 0.27 0.00 0.00 38.32 39.47 1dmo h ASN 60 CO 0.08 1.31 0.00 0.61 -0.37 0.00 0.00 177.43 179.06 1dmo n GLY 61 N 1.30 0.54 3.27 1.57 0.00 -1.26 -4.99 105.19 105.61 1dmo n GLY 61 Ca -0.12 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.23 0.00 -0.03 2.61 -4.23 -1.26 -3.46 115.64 107.04 1dmo s THR 62 Ca 0.00 -1.90 -0.01 0.00 -1.18 0.00 0.00 61.69 58.59 1dmo s THR 62 Cb 0.00 -2.46 0.02 0.00 1.34 0.00 0.00 72.50 71.41 1dmo s THR 62 CO 0.00 0.00 0.07 -0.63 -0.54 0.00 0.00 174.62 173.52 1dmo s ILE 63 N -4.07 -0.04 0.51 2.99 1.01 0.70 -4.73 121.20 117.57 1dmo s ILE 63 Ca 0.36 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.14 1dmo s ILE 63 Cb 0.05 -0.13 0.01 0.00 0.01 0.00 0.00 42.46 42.41 1dmo s ILE 63 CO 0.13 0.05 0.74 -1.81 0.00 0.00 0.00 174.94 174.05 1dmo s ASP 64 N 0.73 5.61 0.20 3.58 1.01 -1.26 -0.89 116.67 125.65 1dmo s ASP 64 Ca -0.06 0.27 -0.11 0.00 0.71 0.00 0.00 52.55 53.36 1dmo s ASP 64 Cb -0.08 -1.36 0.19 0.00 1.01 0.00 0.00 42.92 42.68 1dmo s ASP 64 CO -0.03 -0.90 1.83 0.15 0.21 0.00 0.00 175.17 176.43 1dmo h PHE 65 N 0.19 0.72 -0.66 4.23 3.57 -1.97 -0.88 116.94 122.15 1dmo h PHE 65 Ca -0.45 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.11 1dmo h PHE 65 Cb 1.27 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 39.73 1dmo h PHE 65 CO 0.43 0.39 0.40 -1.35 -2.23 0.00 0.00 178.31 175.95 1dmo h PRO 66 N 0.75 0.76 -0.49 6.41 0.11 -1.94 -1.43 132.00 136.17 1dmo h PRO 66 Ca 0.27 -0.05 -0.07 0.00 0.11 0.00 0.00 66.00 66.27 1dmo h PRO 66 Cb 0.08 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 30.99 1dmo h PRO 66 CO -0.13 0.50 0.02 0.93 -0.21 0.00 0.00 178.00 179.11 1dmo h GLU 67 N 0.78 0.80 -0.43 1.05 4.39 -1.83 -1.57 114.58 117.77 1dmo h GLU 67 Ca 0.27 -0.21 0.04 0.00 0.34 0.00 0.00 59.36 59.81 1dmo h GLU 67 Cb 0.05 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.58 1dmo h GLU 67 CO -0.12 0.79 0.29 0.35 -1.16 0.00 0.00 179.01 179.16 1dmo h PHE 68 N 0.75 0.40 -0.33 4.33 3.57 -0.12 -0.59 116.94 124.95 1dmo h PHE 68 Ca 0.15 0.01 -0.16 0.00 3.53 0.00 0.00 57.97 61.50 1dmo h PHE 68 Cb 0.43 -0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.03 1dmo h PHE 68 CO 0.02 0.23 -0.41 -0.07 -2.23 0.00 0.00 178.31 175.85 1dmo h LEU 69 N 0.41 0.88 -0.32 0.59 3.38 -0.63 -2.90 115.31 116.72 1dmo h LEU 69 Ca 0.18 -0.41 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1dmo h LEU 69 Cb 0.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 1dmo h LEU 69 CO -0.04 1.17 0.16 0.74 0.09 0.00 0.00 178.44 180.56 1dmo h THR 70 N 0.67 0.98 0.23 0.22 2.02 -0.72 0.44 112.91 116.75 1dmo h THR 70 Ca 0.05 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1dmo h THR 70 Cb 0.98 0.62 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 1dmo h THR 70 CO 0.09 0.06 -0.19 0.24 0.37 0.00 0.00 175.52 176.09 1dmo h MET 71 N 0.33 -0.42 -0.39 6.66 2.86 -1.37 0.39 114.93 122.99 1dmo h MET 71 Ca 0.14 0.03 -0.03 0.00 -2.06 0.00 0.00 59.70 57.77 1dmo h MET 71 Cb 0.05 0.10 -0.02 0.00 0.06 0.00 0.00 31.60 31.79 1dmo h MET 71 CO -0.10 -0.28 0.12 0.52 1.06 0.00 0.00 176.91 178.23 1dmo h MET 72 N -0.44 0.56 -0.14 1.72 2.07 -1.30 0.18 114.93 117.58 1dmo h MET 72 Ca -0.01 -0.08 -0.11 0.00 -2.07 0.00 0.00 59.70 57.42 1dmo h MET 72 Cb 0.39 -0.10 -0.01 0.00 -1.87 0.00 0.00 31.60 30.01 1dmo h MET 72 CO -0.02 0.50 -0.40 0.00 1.07 0.00 0.00 176.91 178.06 1dmo h ALA 73 N 1.58 1.05 0.04 6.32 0.00 0.53 0.69 119.26 129.47 1dmo h ALA 73 Ca 0.13 -0.41 -0.25 0.00 0.00 0.00 0.00 54.91 54.38 1dmo h ALA 73 Cb 0.18 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.88 1dmo h ALA 73 CO -0.01 0.60 -1.04 -0.09 0.00 0.00 0.00 179.25 178.71 1dmo h ARG 74 N 0.27 0.47 0.00 0.00 2.43 0.81 1.28 114.38 119.64 1dmo h ARG 74 Ca 0.03 -0.55 -0.13 0.00 -0.81 0.00 0.00 59.98 58.52 1dmo h ARG 74 Cb 0.82 0.17 -0.02 0.00 -0.42 0.00 0.00 29.97 30.52 1dmo h ARG 74 CO 0.07 1.20 -0.60 -0.22 -1.51 0.00 0.00 179.97 178.90 1dmo h LYS 75 N 0.24 0.00 0.00 0.20 1.63 -0.47 -3.23 116.57 114.94 1dmo h LYS 75 Ca -0.11 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.66 1dmo h LYS 75 Cb 1.70 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 33.33 1dmo h LYS 75 CO 0.19 0.60 -1.76 -0.12 -3.45 0.00 0.00 179.45 174.90 1dmo n MET 76 N -3.31 0.65 -2.70 1.90 1.56 0.24 -5.04 117.12 110.42 1dmo n MET 76 Ca 0.01 -0.10 -0.06 0.00 -0.27 0.00 0.00 57.70 57.28 1dmo n MET 76 Cb 0.75 -1.60 0.01 0.00 2.15 0.00 0.00 33.22 34.52 1dmo n MET 76 CO 0.00 0.00 0.00 1.17 -0.73 0.00 0.00 175.97 176.41 1dmo n LYS 77 N -2.41 -1.99 0.00 2.12 4.81 0.44 -4.77 118.16 116.35 1dmo n LYS 77 Ca -0.05 1.87 0.00 0.00 -0.87 0.00 0.00 58.31 59.26 1dmo n LYS 77 Cb 0.60 -5.18 0.00 0.00 0.02 0.00 0.00 35.03 30.48 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1dmo n ASP 78 N -0.47 -0.01 -0.91 3.14 9.92 -0.93 -4.86 116.55 122.43 1dmo n ASP 78 Ca 0.09 0.00 0.00 0.00 -0.53 0.00 0.00 54.79 54.35 1dmo n ASP 78 Cb 0.41 0.00 0.00 0.00 -0.64 0.00 0.00 41.12 40.89 1dmo n ASP 78 CO 0.00 0.00 0.00 1.07 0.13 0.00 0.00 177.20 178.40 1dmo n THR 79 N 0.00 0.00 -2.35 -3.53 5.66 -1.26 -4.90 114.28 107.90 1dmo n THR 79 Ca 0.00 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.64 1dmo n THR 79 Cb 0.00 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 68.75 1dmo n THR 79 CO 0.00 0.00 0.00 -1.81 -3.05 0.00 0.00 175.07 170.21 1dmo s ASP 80 N -0.11 5.98 -0.10 1.09 1.11 -1.26 -4.71 116.67 118.67 1dmo s ASP 80 Ca 0.00 -1.53 0.15 0.00 0.18 0.00 0.00 52.55 51.35 1dmo s ASP 80 Cb 0.00 -2.57 0.61 0.00 1.07 0.00 0.00 42.92 42.02 1dmo s ASP 80 CO 0.00 -2.02 1.49 -1.54 1.18 0.00 0.00 175.17 174.27 1dmo n SER 81 N 11.03 4.08 0.09 0.27 3.41 -1.26 -4.32 113.62 126.92 1dmo n SER 81 Ca 0.41 -2.39 0.01 0.00 -0.26 0.00 0.00 58.87 56.64 1dmo n SER 81 Cb 0.48 -0.53 0.35 0.00 -0.26 0.00 0.00 64.21 64.25 1dmo n SER 81 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1dmo h GLU 82 N 3.41 0.31 0.56 4.33 5.08 -1.94 -2.72 114.58 123.60 1dmo h GLU 82 Ca 0.00 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1dmo h GLU 82 Cb 1.27 -0.04 0.01 0.00 0.50 0.00 0.00 28.75 30.49 1dmo h GLU 82 CO 0.21 0.44 -0.27 0.93 -1.00 0.00 0.00 179.01 179.32 1dmo h GLU 83 N 0.29 -0.72 -1.12 2.33 5.08 -2.00 -0.87 114.58 117.58 1dmo h GLU 83 Ca 0.06 0.05 0.32 0.00 -1.00 0.00 0.00 59.36 58.79 1dmo h GLU 83 Cb 0.40 0.16 -0.11 0.00 0.50 0.00 0.00 28.75 29.71 1dmo h GLU 83 CO 0.02 -0.48 0.71 0.93 -1.00 0.00 0.00 179.01 179.19 1dmo h GLU 84 N -1.07 0.29 0.37 2.33 5.08 -1.86 -0.99 114.58 118.74 1dmo h GLU 84 Ca -0.08 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 1dmo h GLU 84 Cb 0.57 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.76 1dmo h GLU 84 CO 0.13 0.19 -0.18 0.82 -1.00 0.00 0.00 179.01 178.97 1dmo h ILE 85 N 0.30 0.41 -0.93 3.13 2.04 -1.39 -2.73 117.51 118.34 1dmo h ILE 85 Ca 0.68 -0.69 0.16 0.00 1.00 0.00 0.00 64.86 66.02 1dmo h ILE 85 Cb 1.84 0.64 -0.16 0.00 -0.74 0.00 0.00 36.82 38.39 1dmo h ILE 85 CO -0.39 0.09 -0.31 0.03 0.00 0.00 0.00 178.15 177.57 1dmo h ARG 86 N -0.98 -0.02 -0.62 2.37 3.08 0.20 0.79 114.38 119.20 1dmo h ARG 86 Ca -0.05 0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.05 1dmo h ARG 86 Cb 0.52 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.53 1dmo h ARG 86 CO 0.08 -0.01 0.35 1.49 -1.07 0.00 0.00 179.97 180.81 1dmo h GLU 87 N -0.02 0.65 -1.07 0.04 4.81 -1.50 0.60 114.58 118.09 1dmo h GLU 87 Ca 0.38 -0.04 0.31 0.00 -0.13 0.00 0.00 59.36 59.88 1dmo h GLU 87 Cb 0.63 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.83 1dmo h GLU 87 CO -0.95 0.43 0.79 0.00 -0.73 0.00 0.00 179.01 178.55 1dmo h ALA 88 N 1.31 3.00 0.12 2.92 0.00 0.92 0.94 119.26 128.46 1dmo h ALA 88 Ca 0.27 -0.04 -0.30 0.00 0.00 0.00 0.00 54.91 54.84 1dmo h ALA 88 Cb 0.12 0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1dmo h ALA 88 CO -0.15 -1.34 -1.52 0.74 0.00 0.00 0.00 179.25 176.98 1dmo h PHE 89 N 0.00 0.47 0.00 0.00 0.04 -0.39 -3.30 116.94 113.77 1dmo h PHE 89 Ca 0.51 -0.34 0.00 0.00 2.80 0.00 0.00 57.97 60.93 1dmo h PHE 89 Cb 2.07 -0.02 0.00 0.00 2.20 0.00 0.00 35.95 40.20 1dmo h PHE 89 CO 0.00 1.59 0.09 -0.09 -0.60 0.00 0.00 178.31 179.30 1dmo h ARG 90 N -0.23 0.00 0.00 1.51 2.43 0.45 0.47 114.38 119.01 1dmo h ARG 90 Ca -0.32 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.85 1dmo h ARG 90 Cb 1.82 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.37 1dmo h ARG 90 CO 0.07 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.81 1dmo n VAL 91 N -2.26 0.67 -2.18 0.20 0.31 -0.50 -2.31 118.33 112.26 1dmo n VAL 91 Ca -0.01 0.17 0.04 0.00 -0.01 0.00 0.00 64.34 64.52 1dmo n VAL 91 Cb 0.12 -0.96 0.09 0.00 -0.91 0.00 0.00 33.84 32.18 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 -1.29 0.10 -3.61 3.52 3.01 0.16 -5.02 117.46 114.33 1dmo n PHE 92 Ca 0.06 -0.96 -0.40 0.00 1.01 0.00 0.00 57.45 57.16 1dmo n PHE 92 Cb 0.10 -0.19 -0.11 0.00 -0.01 0.00 0.00 39.48 39.27 1dmo n PHE 92 CO 0.00 0.00 0.00 -0.51 1.01 0.00 0.00 176.76 177.26 1dmo s ASP 93 N -2.54 5.71 0.00 4.37 1.11 -0.98 -4.69 116.67 119.65 1dmo s ASP 93 Ca 0.36 -0.96 0.00 0.00 0.18 0.00 0.00 52.55 52.12 1dmo s ASP 93 Cb 0.38 -2.02 0.00 0.00 1.07 0.00 0.00 42.92 42.35 1dmo s ASP 93 CO -0.12 -0.37 0.00 0.29 1.18 0.00 0.00 175.17 176.14 1dmo n LYS 94 N 4.99 0.00 -0.44 8.23 5.02 -1.26 -4.84 118.16 129.85 1dmo n LYS 94 Ca -0.12 0.00 -0.08 0.00 -2.02 0.00 0.00 58.31 56.09 1dmo n LYS 94 Cb 0.46 0.00 0.05 0.00 -0.02 0.00 0.00 35.03 35.52 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dmo n ASP 95 N -0.74 3.64 -3.44 4.39 8.00 -1.26 -4.51 116.55 122.63 1dmo n ASP 95 Ca 0.00 -2.56 -0.27 0.00 0.71 0.00 0.00 54.79 52.67 1dmo n ASP 95 Cb 0.00 -0.67 -0.11 0.00 -0.02 0.00 0.00 41.12 40.31 1dmo n ASP 95 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1dmo s GLY 96 N 0.34 0.69 0.55 0.44 0.00 -1.26 -4.98 107.32 103.10 1dmo s GLY 96 Ca 0.19 -1.71 0.23 0.00 0.00 0.00 0.00 44.72 43.43 1dmo s GLY 96 CO 0.03 2.22 1.16 0.70 0.00 0.00 0.00 173.10 177.20 1dmo n ASN 97 N 4.05 0.00 -2.68 1.64 5.03 -1.26 -2.57 115.26 119.47 1dmo n ASN 97 Ca 0.12 0.68 -0.05 0.00 0.87 0.00 0.00 54.58 56.20 1dmo n ASN 97 Cb 0.39 -0.23 0.05 0.00 -1.02 0.00 0.00 39.78 38.96 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 -1.62 0.04 3.45 7.41 0.00 -1.26 -5.09 105.19 108.12 1dmo n GLY 98 Ca 0.21 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.21 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 0.10 -1.25 0.21 1.61 2.02 -1.06 -4.60 117.35 114.38 1dmo s TYR 99 Ca 0.12 1.99 0.04 0.00 -0.37 0.00 0.00 57.07 58.86 1dmo s TYR 99 Cb 0.21 0.63 -0.03 0.00 -0.40 0.00 0.00 41.96 42.36 1dmo s TYR 99 CO -0.06 -0.67 0.33 0.96 -1.57 0.00 0.00 175.55 174.54 1dmo s ILE 100 N 2.82 5.24 0.17 2.71 -4.36 -1.01 -4.54 121.20 122.23 1dmo s ILE 100 Ca 0.00 -0.91 -0.30 0.00 -0.26 0.00 0.00 60.65 59.18 1dmo s ILE 100 Cb -0.13 -3.80 -0.08 0.00 1.25 0.00 0.00 42.46 39.71 1dmo s ILE 100 CO -0.18 -0.25 1.20 -0.94 0.24 0.00 0.00 174.94 175.01 1dmo s SER 101 N -3.72 7.08 0.63 4.36 1.04 -1.26 0.22 113.70 122.05 1dmo s SER 101 Ca 0.34 2.22 0.36 0.00 0.48 0.00 0.00 55.95 59.36 1dmo s SER 101 Cb -0.10 -2.60 1.98 0.00 0.10 0.00 0.00 66.02 65.40 1dmo s SER 101 CO 0.29 -0.39 2.11 0.00 0.98 0.00 0.00 173.24 176.23 1dmo h ALA 102 N 5.39 1.14 0.16 5.32 0.00 -1.84 -1.67 119.26 127.76 1dmo h ALA 102 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 1dmo h ALA 102 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.01 1dmo h ALA 102 CO 0.75 -0.14 -0.08 0.00 0.00 0.00 0.00 179.25 179.79 1dmo h ALA 103 N 1.71 -0.52 -0.59 0.00 0.00 -1.89 -2.57 119.26 115.40 1dmo h ALA 103 Ca 0.00 -0.05 0.17 0.00 0.00 0.00 0.00 54.91 55.03 1dmo h ALA 103 Cb 0.28 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1dmo h ALA 103 CO 0.00 -0.51 0.48 0.93 0.00 0.00 0.00 179.25 180.15 1dmo h GLU 104 N -0.40 0.00 -0.51 0.00 5.08 -1.89 0.16 114.58 117.03 1dmo h GLU 104 Ca -0.02 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 1dmo h GLU 104 Cb 0.17 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.39 1dmo h GLU 104 CO 0.04 0.00 0.25 1.25 -1.00 0.00 0.00 179.01 179.55 1dmo h LEU 105 N 0.00 0.66 -1.88 1.33 6.46 -1.27 0.38 115.31 120.98 1dmo h LEU 105 Ca 0.28 -0.12 -0.02 0.00 -0.12 0.00 0.00 57.88 57.90 1dmo h LEU 105 Cb 1.23 -0.17 -0.00 0.00 -0.73 0.00 0.00 40.66 40.99 1dmo h LEU 105 CO -0.00 0.59 -0.08 -0.09 -0.62 0.00 0.00 178.44 178.24 1dmo h ARG 106 N 0.68 0.00 0.00 1.25 2.43 -0.26 0.10 114.38 118.58 1dmo h ARG 106 Ca 0.18 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 59.25 1dmo h ARG 106 Cb 0.10 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 1dmo h ARG 106 CO -0.02 0.08 -0.44 1.25 -1.51 0.00 0.00 179.97 179.32 1dmo h HIS 107 N 0.00 0.00 -0.10 2.20 2.76 -0.84 -3.19 115.15 115.97 1dmo h HIS 107 Ca -0.00 0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.14 1dmo h HIS 107 Cb 0.14 0.00 -0.00 0.00 1.55 0.00 0.00 27.41 29.10 1dmo h HIS 107 CO 0.00 0.44 -0.07 0.28 -1.30 0.00 0.00 177.93 177.29 1dmo h VAL 108 N 0.00 1.34 -0.14 5.26 2.07 0.22 -2.43 116.25 122.58 1dmo h VAL 108 Ca -0.00 -1.15 -0.01 0.00 0.82 0.00 0.00 66.70 66.36 1dmo h VAL 108 Cb 1.30 1.88 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1dmo h VAL 108 CO 0.06 0.33 0.05 0.24 0.02 0.00 0.00 177.57 178.27 1dmo h MET 109 N -0.15 0.18 -0.15 1.57 2.07 -1.46 1.26 114.93 118.26 1dmo h MET 109 Ca 0.02 -0.02 -0.06 0.00 -2.07 0.00 0.00 59.70 57.57 1dmo h MET 109 Cb 0.55 -0.04 -0.00 0.00 -1.87 0.00 0.00 31.60 30.24 1dmo h MET 109 CO 0.02 0.16 -0.15 1.79 1.07 0.00 0.00 176.91 179.80 1dmo h THR 110 N 0.19 1.34 -0.10 2.22 1.35 -1.51 -3.15 112.91 113.25 1dmo h THR 110 Ca 0.05 -1.30 0.00 0.00 -0.55 0.00 0.00 66.41 64.61 1dmo h THR 110 Cb 0.04 1.86 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 1dmo h THR 110 CO -0.01 0.38 0.00 0.59 -0.25 0.00 0.00 175.52 176.24 1dmo n ASN 111 N -4.55 2.18 0.24 5.36 3.02 -0.93 -4.08 115.26 116.51 1dmo n ASN 111 Ca -0.06 -1.74 -0.17 0.00 -0.03 0.00 0.00 54.58 52.58 1dmo n ASN 111 Cb 0.36 -0.05 -0.09 0.00 -0.61 0.00 0.00 39.78 39.39 1dmo n ASN 111 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 1dmo h LEU 112 N 3.22 -1.27 -0.02 3.41 5.85 0.16 -3.43 115.31 123.23 1dmo h LEU 112 Ca 0.00 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.83 1dmo h LEU 112 Cb 0.69 0.43 0.00 0.00 0.37 0.00 0.00 40.66 42.16 1dmo h LEU 112 CO 0.00 -0.60 0.00 0.61 -0.34 0.00 0.00 178.44 178.11 1dmo n GLY 113 N -1.52 0.15 2.38 3.75 0.00 -1.26 -5.07 105.19 103.61 1dmo n GLY 113 Ca -0.11 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.88 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 -4.25 -0.00 1.61 0.00 -1.26 -5.00 120.64 111.75 1dmo n GLU 114 Ca 0.00 3.22 0.00 0.00 0.00 0.00 0.00 57.16 60.38 1dmo n GLU 114 Cb 0.07 -4.50 0.00 0.00 0.00 0.00 0.00 31.44 27.01 1dmo n GLU 114 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1dmo n LYS 115 N 1.54 0.00 -3.49 5.31 4.81 -1.26 -5.04 118.16 120.03 1dmo n LYS 115 Ca -0.27 0.00 -0.14 0.00 -0.87 0.00 0.00 58.31 57.03 1dmo n LYS 115 Cb 0.42 0.00 -0.11 0.00 0.02 0.00 0.00 35.03 35.36 1dmo n LYS 115 CO 0.00 0.00 0.00 -0.51 1.17 0.00 0.00 177.40 178.06 1dmo s LEU 116 N 0.00 -0.34 1.29 3.14 1.43 -1.26 -5.15 118.68 117.79 1dmo s LEU 116 Ca 0.00 0.16 -0.18 0.00 -1.03 0.00 0.00 54.13 53.08 1dmo s LEU 116 Cb 0.00 0.73 0.32 0.00 0.03 0.00 0.00 46.19 47.28 1dmo s LEU 116 CO 0.00 -0.29 0.99 -0.89 0.23 0.00 0.00 176.35 176.39 1dmo s THR 117 N 2.43 1.57 0.04 5.49 2.01 -1.26 -4.83 115.64 121.09 1dmo s THR 117 Ca 0.07 0.00 -0.16 0.00 0.31 0.00 0.00 61.69 61.91 1dmo s THR 117 Cb -0.15 -2.14 -0.28 0.00 0.01 0.00 0.00 72.50 69.95 1dmo s THR 117 CO -0.12 0.00 1.10 -0.78 -0.69 0.00 0.00 174.62 174.12 1dmo h ASP 118 N -2.99 0.81 -0.14 3.53 1.82 -2.00 -2.85 116.42 114.60 1dmo h ASP 118 Ca -0.51 -0.81 0.04 0.00 -0.39 0.00 0.00 57.03 55.36 1dmo h ASP 118 Cb 1.33 -0.25 -0.04 0.00 0.68 0.00 0.00 39.33 41.05 1dmo h ASP 118 CO 0.39 1.53 -0.13 -0.33 -1.61 0.00 0.00 179.24 179.09 1dmo h GLU 119 N 0.19 -0.14 -0.10 0.28 3.07 -1.99 0.40 114.58 116.29 1dmo h GLU 119 Ca -0.16 0.01 -0.00 0.00 -0.50 0.00 0.00 59.36 58.71 1dmo h GLU 119 Cb 1.78 0.03 -0.00 0.00 -0.84 0.00 0.00 28.75 29.72 1dmo h GLU 119 CO 0.21 -0.10 0.06 0.93 -1.40 0.00 0.00 179.01 178.71 1dmo h GLU 120 N -0.15 0.13 0.00 2.33 5.08 -1.94 -1.43 114.58 118.59 1dmo h GLU 120 Ca 0.09 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.43 1dmo h GLU 120 Cb 0.28 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 1dmo h GLU 120 CO -0.23 0.12 -0.05 0.28 -1.00 0.00 0.00 179.01 178.13 1dmo h VAL 121 N 0.10 0.59 0.01 3.13 2.07 -1.20 -1.76 116.25 119.19 1dmo h VAL 121 Ca 0.03 -0.23 -0.00 0.00 0.82 0.00 0.00 66.70 67.32 1dmo h VAL 121 Cb 0.02 1.14 0.00 0.00 -1.52 0.00 0.00 31.29 30.94 1dmo h VAL 121 CO -0.01 0.05 -0.00 -0.78 0.02 0.00 0.00 177.57 176.85 1dmo h ASP 122 N 0.00 -0.01 0.56 0.57 1.82 0.74 0.13 116.42 120.23 1dmo h ASP 122 Ca -0.00 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 1dmo h ASP 122 Cb 0.14 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.15 1dmo h ASP 122 CO 0.01 0.66 0.00 -0.08 -1.61 0.00 0.00 179.24 178.22 1dmo h GLU 123 N -0.69 0.00 0.05 0.28 4.81 -0.98 -2.10 114.58 115.95 1dmo h GLU 123 Ca -0.00 0.00 -0.27 0.00 -0.13 0.00 0.00 59.36 58.96 1dmo h GLU 123 Cb 0.67 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.02 1dmo h GLU 123 CO 0.00 0.00 -1.45 1.98 -0.73 0.00 0.00 179.01 178.81 1dmo h MET 124 N 0.00 0.10 -0.00 1.92 4.05 -1.27 -3.35 114.93 116.39 1dmo h MET 124 Ca 0.00 -0.18 0.00 0.00 -0.28 0.00 0.00 59.70 59.24 1dmo h MET 124 Cb 0.28 0.07 -0.00 0.00 -0.80 0.00 0.00 31.60 31.15 1dmo h MET 124 CO 0.00 1.09 0.00 0.82 0.23 0.00 0.00 176.91 179.05 1dmo h ILE 125 N -0.62 1.00 0.00 1.77 2.04 -0.59 0.22 117.51 121.33 1dmo h ILE 125 Ca -0.36 -0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.50 1dmo h ILE 125 Cb 1.56 1.00 0.00 0.00 -0.74 0.00 0.00 36.82 38.64 1dmo h ILE 125 CO -0.09 0.00 0.00 0.54 0.00 0.00 0.00 178.15 178.60 1dmo n ARG 126 N -4.54 0.01 -0.07 2.37 5.12 -0.80 -2.22 116.66 116.52 1dmo n ARG 126 Ca -0.03 0.24 0.04 0.00 -1.93 0.00 0.00 57.85 56.17 1dmo n ARG 126 Cb 0.09 -1.52 0.08 0.00 -1.16 0.00 0.00 32.46 29.95 1dmo n ARG 126 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 1dmo n GLU 127 N -1.54 2.51 -0.04 5.56 1.02 0.73 -4.60 120.64 124.27 1dmo n GLU 127 Ca 0.04 -1.96 0.00 0.00 -0.02 0.00 0.00 57.16 55.21 1dmo n GLU 127 Cb 0.19 -1.23 0.00 0.00 -0.02 0.00 0.00 31.44 30.37 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1dmo n ALA 128 N -0.62 2.30 -2.70 0.62 0.00 -0.94 -4.61 120.51 114.57 1dmo n ALA 128 Ca 0.07 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.43 1dmo n ALA 128 Cb 0.43 -1.04 0.02 0.00 0.00 0.00 0.00 19.45 18.86 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 0.78 -3.42 -4.15 0.00 5.15 -1.26 -4.80 115.26 107.55 1dmo n ASN 129 Ca 0.00 -0.15 -0.10 0.00 -0.60 0.00 0.00 54.58 53.74 1dmo n ASN 129 Cb 0.34 -2.19 -0.10 0.00 -0.53 0.00 0.00 39.78 37.30 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 -2.91 0.17 0.00 -1.44 1.01 -1.26 -5.04 121.20 111.72 1dmo s ILE 130 Ca 0.16 -1.91 0.00 0.00 0.00 0.00 0.00 60.65 58.90 1dmo s ILE 130 Cb -0.07 -2.01 0.00 0.00 0.01 0.00 0.00 42.46 40.39 1dmo s ILE 130 CO 0.20 -0.51 0.00 -0.90 0.00 0.00 0.00 174.94 173.72 1dmo n ASP 131 N -0.09 0.00 0.00 3.58 5.75 -1.26 -4.74 116.55 119.79 1dmo n ASP 131 Ca -0.06 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.72 1dmo n ASP 131 Cb 0.63 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.72 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 132 N 0.08 -1.92 0.00 6.12 0.00 -1.26 -5.11 105.19 103.10 1dmo n GLY 132 Ca 0.00 0.90 0.00 0.00 0.00 0.00 0.00 46.02 46.92 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 0.00 1.61 -0.08 -1.26 -5.10 116.55 111.72 1dmo n ASP 133 Ca 0.00 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.28 1dmo n ASP 133 Cb 0.00 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.46 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 1.50 0.00 3.15 0.27 0.00 -1.26 -5.07 105.19 103.78 1dmo n GLY 134 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1dmo n GLY 134 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmo s GLN 135 N 0.00 0.38 -0.04 1.61 1.03 -1.26 -3.85 119.66 117.52 1dmo s GLN 135 Ca 0.00 0.16 -0.02 0.00 0.04 0.00 0.00 55.36 55.54 1dmo s GLN 135 Cb 0.00 0.18 0.03 0.00 0.03 0.00 0.00 33.01 33.25 1dmo s GLN 135 CO 0.00 -0.07 0.06 0.08 -2.54 0.00 0.00 175.29 172.82 1dmo s VAL 136 N -0.30 -0.11 -1.17 3.63 1.01 0.13 -4.69 120.40 118.90 1dmo s VAL 136 Ca -0.04 0.43 -0.23 0.00 0.00 0.00 0.00 61.98 62.14 1dmo s VAL 136 Cb -0.03 -0.15 -0.09 0.00 0.00 0.00 0.00 36.38 36.11 1dmo s VAL 136 CO 0.01 0.18 1.93 0.54 0.00 0.00 0.00 175.10 177.76 1dmo s ASN 137 N 2.16 5.04 0.13 3.32 4.22 -1.26 -2.39 114.94 126.15 1dmo s ASN 137 Ca 0.05 -1.62 0.02 0.00 -2.14 0.00 0.00 52.86 49.17 1dmo s ASN 137 Cb -0.12 -2.59 0.11 0.00 1.28 0.00 0.00 41.25 39.93 1dmo s ASN 137 CO -0.03 -3.06 0.75 0.00 -2.04 0.00 0.00 177.10 172.72 1dmo n TYR 138 N 14.35 0.07 -0.04 1.54 4.11 -1.26 -0.88 117.16 135.05 1dmo n TYR 138 Ca 0.45 0.04 -0.14 0.00 -0.00 0.00 0.00 57.90 58.24 1dmo n TYR 138 Cb 0.47 -0.18 -0.08 0.00 -0.00 0.00 0.00 39.34 39.55 1dmo n TYR 138 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.86 177.91 1dmo h GLU 139 N 0.00 0.32 0.00 -3.48 9.09 -1.89 0.14 114.58 118.76 1dmo h GLU 139 Ca 0.00 -0.21 -0.17 0.00 0.05 0.00 0.00 59.36 59.02 1dmo h GLU 139 Cb 0.91 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 28.02 1dmo h GLU 139 CO 0.00 0.82 -0.82 0.93 0.05 0.00 0.00 179.01 179.99 1dmo h GLU 140 N -0.13 0.02 -0.10 1.06 3.07 -1.41 -3.00 114.58 114.10 1dmo h GLU 140 Ca 0.00 -0.03 -0.11 0.00 -0.50 0.00 0.00 59.36 58.73 1dmo h GLU 140 Cb 0.81 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.72 1dmo h GLU 140 CO 0.05 0.82 -0.41 0.35 -1.40 0.00 0.00 179.01 178.42 1dmo h PHE 141 N 0.01 0.25 0.84 4.33 3.57 -1.45 -1.73 116.94 122.76 1dmo h PHE 141 Ca -0.01 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.38 1dmo h PHE 141 Cb 1.44 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 40.12 1dmo h PHE 141 CO 0.00 0.60 -0.44 0.28 -2.23 0.00 0.00 178.31 176.52 1dmo h VAL 142 N 0.18 0.10 0.00 1.41 2.07 -0.56 -0.08 116.25 119.37 1dmo h VAL 142 Ca 0.02 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.50 1dmo h VAL 142 Cb 0.81 0.10 -0.00 0.00 -1.52 0.00 0.00 31.29 30.67 1dmo h VAL 142 CO 0.06 0.00 -0.15 1.56 0.02 0.00 0.00 177.57 179.06 1dmo h GLN 143 N -1.18 0.00 0.00 1.57 1.08 -1.57 -1.23 115.11 113.78 1dmo h GLN 143 Ca -0.11 0.00 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1dmo h GLN 143 Cb 0.92 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 28.35 1dmo h GLN 143 CO 0.16 0.15 -0.01 1.98 -0.95 0.00 0.00 178.83 180.17 1dmo h MET 144 N 0.00 0.00 0.00 1.46 4.05 -0.82 -2.90 114.93 116.72 1dmo h MET 144 Ca -0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1dmo h MET 144 Cb 0.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 1dmo h MET 144 CO 0.02 0.01 -1.37 -1.33 0.23 0.00 0.00 176.91 174.47 1dmo n MET 145 N -3.10 0.53 -3.33 0.39 2.81 -0.09 -4.51 117.12 109.83 1dmo n MET 145 Ca 0.02 -0.03 -0.26 0.00 -1.81 0.00 0.00 57.70 55.62 1dmo n MET 145 Cb 0.38 -1.65 -0.08 0.00 -0.71 0.00 0.00 33.22 31.17 1dmo n MET 145 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1dmo n THR 146 N -2.32 1.28 -4.09 2.03 -1.04 -0.81 -5.07 114.28 104.25 1dmo n THR 146 Ca -0.01 -4.80 -0.11 0.00 -2.04 0.00 0.00 64.05 57.09 1dmo n THR 146 Cb 0.52 -2.02 -0.11 0.00 -1.82 0.00 0.00 70.33 66.91 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo s ALA 147 N -2.05 0.63 -1.95 2.41 0.00 -1.19 -4.81 121.76 114.81 1dmo s ALA 147 Ca 0.38 -1.00 0.00 0.00 0.00 0.00 0.00 51.96 51.35 1dmo s ALA 147 Cb 0.16 0.13 0.00 0.00 0.00 0.00 0.00 23.12 23.41 1dmo s ALA 147 CO -0.05 -0.16 0.49 1.17 0.00 0.00 0.00 175.76 177.21