#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo s ASP 2 N 0.00 -0.64 0.04 0.00 1.01 -1.26 -5.12 116.67 110.70 1dmo s ASP 2 Ca 0.00 1.19 -0.30 0.00 0.71 0.00 0.00 52.55 54.15 1dmo s ASP 2 Cb 0.00 1.22 -0.08 0.00 1.01 0.00 0.00 42.92 45.07 1dmo s ASP 2 CO 0.00 -0.20 1.68 -1.10 0.21 0.00 0.00 175.17 175.76 1dmo s GLN 3 N 0.47 4.19 0.26 8.23 -0.21 -1.26 -4.75 119.66 126.59 1dmo s GLN 3 Ca 0.00 2.33 0.00 0.00 0.02 0.00 0.00 55.36 57.71 1dmo s GLN 3 Cb -0.05 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.22 1dmo s GLN 3 CO -0.04 -0.78 0.00 1.28 -2.12 0.00 0.00 175.29 173.63 1dmo n LEU 4 N 6.12 0.00 -4.95 2.90 4.32 -1.26 -4.86 117.00 119.27 1dmo n LEU 4 Ca 0.17 0.98 -0.19 0.00 -0.02 0.00 0.00 56.01 56.94 1dmo n LEU 4 Cb 0.41 -2.91 -0.01 0.00 -1.62 0.00 0.00 43.42 39.28 1dmo n LEU 4 CO 0.63 -1.83 0.03 0.28 -1.22 0.00 0.00 177.39 175.28 1dmo s THR 5 N -1.73 3.67 0.22 -5.08 -1.32 -1.26 -4.99 115.64 105.15 1dmo s THR 5 Ca 0.00 -1.12 -0.08 0.00 -1.21 0.00 0.00 61.69 59.28 1dmo s THR 5 Cb 0.00 -3.26 0.16 0.00 -1.51 0.00 0.00 72.50 67.89 1dmo s THR 5 CO 0.00 -0.13 1.78 1.05 -2.21 0.00 0.00 174.62 175.11 1dmo h GLU 6 N 0.96 0.56 0.51 7.08 4.11 -1.99 -1.92 114.58 123.89 1dmo h GLU 6 Ca -0.44 -0.03 -0.02 0.00 0.07 0.00 0.00 59.36 58.93 1dmo h GLU 6 Cb 1.26 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.38 1dmo h GLU 6 CO 0.53 0.37 -0.29 0.93 0.07 0.00 0.00 179.01 180.62 1dmo h GLU 7 N 0.57 -0.72 -0.98 1.06 5.08 -1.99 0.18 114.58 117.79 1dmo h GLU 7 Ca 0.33 0.05 0.25 0.00 -1.00 0.00 0.00 59.36 59.00 1dmo h GLU 7 Cb 0.34 0.16 -0.13 0.00 0.50 0.00 0.00 28.75 29.63 1dmo h GLU 7 CO -0.26 -0.48 0.54 1.96 -1.00 0.00 0.00 179.01 179.77 1dmo h GLN 8 N -0.75 0.48 0.00 2.33 1.08 -1.86 1.44 115.11 117.83 1dmo h GLN 8 Ca -0.06 -0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.02 1dmo h GLN 8 Cb 0.60 -0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.91 1dmo h GLN 8 CO 0.08 0.32 -0.41 0.82 -0.95 0.00 0.00 178.83 178.68 1dmo h ILE 9 N 0.49 1.22 -0.11 2.54 2.04 -0.60 -1.70 117.51 121.40 1dmo h ILE 9 Ca 0.64 -1.45 -0.03 0.00 1.00 0.00 0.00 64.86 65.02 1dmo h ILE 9 Cb 1.27 1.80 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1dmo h ILE 9 CO -0.51 0.40 -0.05 0.00 0.00 0.00 0.00 178.15 177.99 1dmo h ALA 10 N 1.59 0.15 -0.09 1.87 0.00 0.40 -1.24 119.26 121.93 1dmo h ALA 10 Ca -0.00 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.60 1dmo h ALA 10 Cb 0.77 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1dmo h ALA 10 CO 0.05 -0.08 -0.18 1.49 0.00 0.00 0.00 179.25 180.54 1dmo h GLU 11 N -0.14 0.14 0.40 0.00 4.81 -1.03 -1.99 114.58 116.77 1dmo h GLU 11 Ca 0.02 -0.03 -0.02 0.00 -0.13 0.00 0.00 59.36 59.20 1dmo h GLU 11 Cb 0.51 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.87 1dmo h GLU 11 CO 0.02 0.33 -0.19 0.74 -0.73 0.00 0.00 179.01 179.17 1dmo h PHE 12 N 0.13 -0.50 -0.86 0.92 -1.00 -1.08 -2.71 116.94 111.84 1dmo h PHE 12 Ca 0.03 -0.01 0.13 0.00 2.81 0.00 0.00 57.97 60.92 1dmo h PHE 12 Cb 0.40 0.16 -0.09 0.00 3.61 0.00 0.00 35.95 40.04 1dmo h PHE 12 CO 0.00 -0.19 0.48 -0.22 -1.61 0.00 0.00 178.31 176.77 1dmo h LYS 13 N -0.77 0.71 -0.41 1.51 3.64 -1.01 0.11 116.57 120.35 1dmo h LYS 13 Ca -0.05 -0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.37 1dmo h LYS 13 Cb 0.52 -0.16 -0.09 0.00 -0.41 0.00 0.00 32.23 32.09 1dmo h LYS 13 CO 0.09 0.47 -0.31 0.93 -2.27 0.00 0.00 179.45 178.36 1dmo h GLU 14 N 0.73 -0.22 -0.26 1.90 5.08 -1.16 0.62 114.58 121.26 1dmo h GLU 14 Ca 0.45 0.02 -0.01 0.00 -1.00 0.00 0.00 59.36 58.81 1dmo h GLU 14 Cb 0.54 0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.83 1dmo h GLU 14 CO -0.31 -0.15 0.13 0.00 -1.00 0.00 0.00 179.01 177.68 1dmo h ALA 15 N 0.82 0.34 -0.35 3.43 0.00 -0.85 0.52 119.26 123.18 1dmo h ALA 15 Ca 0.18 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 55.10 1dmo h ALA 15 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1dmo h ALA 15 CO -0.54 -0.10 0.40 0.35 0.00 0.00 0.00 179.25 179.36 1dmo h PHE 16 N 0.29 0.00 0.11 0.00 3.57 0.13 -0.22 116.94 120.81 1dmo h PHE 16 Ca 0.09 0.00 -0.35 0.00 3.53 0.00 0.00 57.97 61.24 1dmo h PHE 16 Cb 0.12 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.84 1dmo h PHE 16 CO -0.02 0.00 -1.89 0.77 -2.23 0.00 0.00 178.31 174.94 1dmo h SER 17 N 0.00 0.36 0.08 0.41 0.02 0.14 -3.21 113.55 111.35 1dmo h SER 17 Ca 0.17 -0.75 -0.00 0.00 -0.84 0.00 0.00 61.79 60.37 1dmo h SER 17 Cb 0.96 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.38 1dmo h SER 17 CO -0.00 1.67 -0.00 -0.07 -1.14 0.00 0.00 176.83 177.28 1dmo h LEU 18 N 0.06 0.00 -3.02 5.07 3.38 0.85 -1.65 115.31 120.00 1dmo h LEU 18 Ca -0.38 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.58 1dmo h LEU 18 Cb 2.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.78 1dmo h LEU 18 CO 0.10 0.00 -0.45 0.49 0.09 0.00 0.00 178.44 178.68 1dmo n PHE 19 N -3.14 0.06 -1.40 1.13 3.72 -0.85 -5.05 117.46 111.92 1dmo n PHE 19 Ca -0.03 -1.48 -0.31 0.00 -0.05 0.00 0.00 57.45 55.59 1dmo n PHE 19 Cb 0.09 -0.26 0.08 0.00 -0.94 0.00 0.00 39.48 38.46 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 -3.18 4.70 0.02 4.37 -1.08 -0.62 -4.75 116.67 116.12 1dmo s ASP 20 Ca 0.38 1.64 0.00 0.00 -0.52 0.00 0.00 52.55 54.05 1dmo s ASP 20 Cb 0.37 -2.41 0.00 0.00 -1.46 0.00 0.00 42.92 39.42 1dmo s ASP 20 CO -0.06 -1.89 0.00 1.17 0.52 0.00 0.00 175.17 174.91 1dmo n LYS 21 N -3.41 0.00 0.00 4.34 4.81 -1.21 -4.98 118.16 117.71 1dmo n LYS 21 Ca 0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.52 1dmo n LYS 21 Cb 0.54 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.59 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 -2.55 0.00 0.00 3.14 9.92 -1.26 -4.91 116.55 120.89 1dmo n ASP 22 Ca 0.00 0.79 0.00 0.00 -0.53 0.00 0.00 54.79 55.05 1dmo n ASP 22 Cb 0.00 -0.29 0.00 0.00 -0.64 0.00 0.00 41.12 40.19 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1dmo n GLY 23 N -0.96 0.92 0.18 0.44 0.00 -1.26 -4.97 105.19 99.54 1dmo n GLY 23 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 1dmo n GLY 23 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1dmo h ASP 24 N 0.83 0.00 0.00 1.61 1.82 -2.03 -3.46 116.42 115.19 1dmo h ASP 24 Ca 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 57.03 56.64 1dmo h ASP 24 Cb 0.00 0.00 0.00 0.00 0.68 0.00 0.00 39.33 40.01 1dmo h ASP 24 CO 0.00 0.44 0.00 0.61 -1.61 0.00 0.00 179.24 178.68 1dmo n GLY 25 N 0.04 0.30 3.62 -0.78 0.00 -1.26 -5.14 105.19 101.97 1dmo n GLY 25 Ca -0.01 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N 0.00 0.00 0.20 2.61 -4.23 -1.26 -4.10 115.64 108.86 1dmo s THR 26 Ca 0.00 -1.36 0.01 0.00 -1.18 0.00 0.00 61.69 59.16 1dmo s THR 26 Cb 0.00 -2.27 -0.05 0.00 1.34 0.00 0.00 72.50 71.52 1dmo s THR 26 CO 0.00 0.00 0.06 0.27 -0.54 0.00 0.00 174.62 174.41 1dmo s ILE 27 N -3.79 0.45 0.01 2.99 -4.36 -0.11 -3.31 121.20 113.07 1dmo s ILE 27 Ca 0.22 -1.98 0.01 0.00 -0.26 0.00 0.00 60.65 58.64 1dmo s ILE 27 Cb -0.02 -2.35 -0.04 0.00 1.25 0.00 0.00 42.46 41.31 1dmo s ILE 27 CO 0.10 -0.24 0.04 0.42 0.24 0.00 0.00 174.94 175.50 1dmo s THR 28 N -3.83 4.41 0.50 8.37 -4.23 -1.26 -0.20 115.64 119.40 1dmo s THR 28 Ca 0.31 -0.57 0.44 0.00 -1.18 0.00 0.00 61.69 60.69 1dmo s THR 28 Cb 0.07 -3.02 0.66 0.00 1.34 0.00 0.00 72.50 71.55 1dmo s THR 28 CO 0.08 0.32 1.47 0.35 -0.54 0.00 0.00 174.62 176.30 1dmo n THR 29 N 1.14 -0.05 -0.16 3.99 -2.24 -1.25 0.11 114.28 115.82 1dmo n THR 29 Ca -0.13 1.46 -0.10 0.00 -2.27 0.00 0.00 64.05 63.01 1dmo n THR 29 Cb 0.52 -2.43 -0.00 0.00 -2.10 0.00 0.00 70.33 66.32 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 0.83 0.00 -0.78 2.10 -1.93 -2.67 116.57 114.12 1dmo h LYS 30 Ca 0.88 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 59.25 1dmo h LYS 30 Cb 3.39 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 34.65 1dmo h LYS 30 CO -0.10 0.90 -0.07 0.39 -2.00 0.00 0.00 179.45 178.57 1dmo n GLU 31 N -4.34 0.03 0.08 0.07 -0.58 0.29 -4.10 120.64 112.10 1dmo n GLU 31 Ca 0.00 0.02 -0.10 0.00 -0.42 0.00 0.00 57.16 56.67 1dmo n GLU 31 Cb 0.32 -1.53 -0.06 0.00 -0.57 0.00 0.00 31.44 29.60 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 -0.94 -1.25 -4.62 5.85 -0.98 -1.12 115.31 112.26 1dmo h LEU 32 Ca 0.00 0.10 0.44 0.00 0.84 0.00 0.00 57.88 59.26 1dmo h LEU 32 Cb 0.53 0.34 -0.15 0.00 0.37 0.00 0.00 40.66 41.75 1dmo h LEU 32 CO 0.00 -0.34 0.75 1.23 -0.34 0.00 0.00 178.44 179.74 1dmo h GLY 33 N -0.47 1.69 0.96 3.75 0.00 -1.71 0.97 103.07 108.26 1dmo h GLY 33 Ca -0.01 -0.13 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 1dmo h GLY 33 CO -0.15 -0.57 -0.27 -0.84 0.00 0.00 0.00 176.54 174.71 1dmo h THR 34 N 0.05 1.30 0.07 4.70 2.02 -1.48 -2.30 112.91 117.27 1dmo h THR 34 Ca 0.85 -1.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.59 1dmo h THR 34 Cb 2.52 1.58 0.00 0.00 -1.74 0.00 0.00 68.15 70.51 1dmo h THR 34 CO -0.56 0.46 -0.04 0.58 0.37 0.00 0.00 175.52 176.33 1dmo h VAL 35 N 0.43 1.02 -0.73 3.16 2.07 0.19 -2.08 116.25 120.31 1dmo h VAL 35 Ca 0.05 -0.33 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1dmo h VAL 35 Cb 0.84 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 1dmo h VAL 35 CO 0.07 0.08 0.48 0.24 0.02 0.00 0.00 177.57 178.46 1dmo h MET 36 N -0.24 0.57 0.00 1.57 2.86 -1.18 0.16 114.93 118.66 1dmo h MET 36 Ca -0.01 -0.03 -0.07 0.00 -2.06 0.00 0.00 59.70 57.52 1dmo h MET 36 Cb 0.21 -0.13 -0.01 0.00 0.06 0.00 0.00 31.60 31.73 1dmo h MET 36 CO 0.02 0.38 -0.34 -0.09 1.06 0.00 0.00 176.91 177.93 1dmo h ARG 37 N 0.59 0.00 0.00 1.72 2.43 -0.99 -2.70 114.38 115.43 1dmo h ARG 37 Ca 0.34 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 1dmo h ARG 37 Cb 0.53 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1dmo h ARG 37 CO -0.12 0.34 -0.55 0.66 -1.51 0.00 0.00 179.97 178.79 1dmo h SER 38 N 0.00 0.00 0.08 -3.80 4.64 -0.06 -3.30 113.55 111.10 1dmo h SER 38 Ca -0.00 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.18 1dmo h SER 38 Cb 0.73 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.81 1dmo h SER 38 CO 0.04 0.17 -0.47 -0.07 -0.87 0.00 0.00 176.83 175.63 1dmo h LEU 39 N 0.00 0.50 0.00 5.97 4.07 -0.88 -3.48 115.31 121.49 1dmo h LEU 39 Ca -0.02 -0.24 0.00 0.00 0.08 0.00 0.00 57.88 57.70 1dmo h LEU 39 Cb 1.14 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.74 1dmo h LEU 39 CO 0.02 0.90 0.00 0.61 -1.08 0.00 0.00 178.44 178.88 1dmo n GLY 40 N 0.06 -0.23 3.82 0.83 0.00 -1.20 -5.07 105.19 103.40 1dmo n GLY 40 Ca -0.02 0.27 -0.32 0.00 0.00 0.00 0.00 46.02 45.95 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 3.31 -0.48 1.61 0.74 -1.25 -4.95 119.66 118.65 1dmo s GLN 41 Ca 0.00 1.01 0.01 0.00 0.05 0.00 0.00 55.36 56.43 1dmo s GLN 41 Cb 0.00 -2.04 0.13 0.00 1.10 0.00 0.00 33.01 32.20 1dmo s GLN 41 CO 0.00 -0.80 0.24 -0.80 -0.55 0.00 0.00 175.29 173.38 1dmo s ASN 42 N -3.39 4.90 1.01 6.67 0.02 -1.26 -3.63 114.94 119.26 1dmo s ASN 42 Ca 0.60 -2.52 -0.12 0.00 -1.02 0.00 0.00 52.86 49.79 1dmo s ASN 42 Cb -0.14 -1.74 0.20 0.00 0.02 0.00 0.00 41.25 39.59 1dmo s ASN 42 CO 0.45 -0.38 1.08 -2.16 0.02 0.00 0.00 177.10 176.11 1dmo s PRO 43 N 0.41 0.29 0.24 -0.60 0.04 -1.26 -5.04 135.00 129.08 1dmo s PRO 43 Ca 0.13 0.81 0.07 0.00 0.04 0.00 0.00 61.00 62.05 1dmo s PRO 43 Cb -0.22 -1.70 -0.04 0.00 0.04 0.00 0.00 34.50 32.59 1dmo s PRO 43 CO -0.04 -2.90 0.18 0.99 0.04 0.00 0.00 177.00 175.27 1dmo s THR 44 N -2.77 4.39 0.62 1.26 2.01 -1.26 -4.92 115.64 114.98 1dmo s THR 44 Ca 0.66 -1.39 0.29 0.00 0.31 0.00 0.00 61.69 61.55 1dmo s THR 44 Cb -0.21 -3.36 0.35 0.00 0.01 0.00 0.00 72.50 69.29 1dmo s THR 44 CO 0.60 -0.32 1.92 -0.33 -0.69 0.00 0.00 174.62 175.80 1dmo h GLU 45 N 1.63 0.00 0.00 4.92 5.08 -1.98 0.19 114.58 124.43 1dmo h GLU 45 Ca -0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.88 1dmo h GLU 45 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 1dmo h GLU 45 CO 0.61 0.00 0.00 0.00 -1.00 0.00 0.00 179.01 178.62 1dmo n ALA 46 N -2.18 0.00 -0.32 3.43 0.00 -1.26 -2.34 120.51 117.83 1dmo n ALA 46 Ca 0.04 -0.02 0.15 0.00 0.00 0.00 0.00 53.44 53.61 1dmo n ALA 46 Cb 0.53 0.00 0.34 0.00 0.00 0.00 0.00 19.45 20.32 1dmo n ALA 46 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 1dmo h GLU 47 N 0.00 0.49 -0.34 0.00 4.11 -1.92 0.79 114.58 117.72 1dmo h GLU 47 Ca 0.00 -0.03 0.06 0.00 0.07 0.00 0.00 59.36 59.46 1dmo h GLU 47 Cb 0.00 -0.11 -0.05 0.00 0.50 0.00 0.00 28.75 29.09 1dmo h GLU 47 CO 0.00 0.32 0.00 1.25 0.07 0.00 0.00 179.01 180.65 1dmo h LEU 48 N 0.50 -0.13 -2.03 3.06 5.85 -0.76 0.24 115.31 122.05 1dmo h LEU 48 Ca 0.60 0.08 0.03 0.00 0.84 0.00 0.00 57.88 59.42 1dmo h LEU 48 Cb 1.12 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 42.28 1dmo h LEU 48 CO -0.49 -0.03 0.07 -0.61 -0.34 0.00 0.00 178.44 177.04 1dmo h GLN 49 N 0.10 0.00 -0.43 1.25 4.15 0.92 -1.51 115.11 119.58 1dmo h GLN 49 Ca 0.16 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.54 1dmo h GLN 49 Cb 0.22 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 27.89 1dmo h GLN 49 CO -0.27 0.00 0.13 0.38 -1.93 0.00 0.00 178.83 177.13 1dmo h ASP 50 N 0.00 0.64 -0.59 -0.69 3.04 0.12 -2.55 116.42 116.39 1dmo h ASP 50 Ca 0.05 -0.22 -0.03 0.00 -3.24 0.00 0.00 57.03 53.59 1dmo h ASP 50 Cb 0.18 -0.17 -0.03 0.00 -1.04 0.00 0.00 39.33 38.28 1dmo h ASP 50 CO -0.00 0.69 0.24 0.24 -2.04 0.00 0.00 179.24 178.37 1dmo h MET 51 N 0.56 0.88 -0.71 4.15 2.86 -0.65 -2.66 114.93 119.36 1dmo h MET 51 Ca 0.14 -0.16 0.11 0.00 -2.06 0.00 0.00 59.70 57.73 1dmo h MET 51 Cb 0.28 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 31.72 1dmo h MET 51 CO -0.00 0.75 0.33 0.82 1.06 0.00 0.00 176.91 179.86 1dmo h ILE 52 N 0.81 0.79 -0.88 -1.22 5.03 -1.22 0.25 117.51 121.06 1dmo h ILE 52 Ca 0.20 -0.19 0.14 0.00 -0.12 0.00 0.00 64.86 64.90 1dmo h ILE 52 Cb 0.19 0.20 -0.07 0.00 -3.03 0.00 0.00 36.82 34.11 1dmo h ILE 52 CO -0.02 0.10 0.57 -1.13 -0.68 0.00 0.00 178.15 176.99 1dmo h ASN 53 N 0.54 0.63 0.54 1.72 -0.00 -1.09 1.19 115.58 119.11 1dmo h ASN 53 Ca 0.36 0.04 -0.03 0.00 -0.00 0.00 0.00 56.30 56.68 1dmo h ASN 53 Cb 0.44 -0.09 0.01 0.00 -0.00 0.00 0.00 38.32 38.68 1dmo h ASN 53 CO -0.31 0.32 -0.26 -0.33 -0.00 0.00 0.00 177.43 176.85 1dmo h GLU 54 N 0.67 -0.70 0.00 6.67 5.08 -0.91 -2.92 114.58 122.47 1dmo h GLU 54 Ca 0.44 0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 1dmo h GLU 54 Cb 0.73 0.16 0.00 0.00 0.50 0.00 0.00 28.75 30.14 1dmo h GLU 54 CO -0.20 -0.39 0.00 1.33 -1.00 0.00 0.00 179.01 178.75 1dmo n VAL 55 N -5.31 0.55 -0.84 3.13 0.24 -0.95 -2.90 118.33 112.25 1dmo n VAL 55 Ca -0.11 0.06 -0.11 0.00 -2.04 0.00 0.00 64.34 62.14 1dmo n VAL 55 Cb 0.33 -0.77 0.23 0.00 -1.47 0.00 0.00 33.84 32.16 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1dmo n ASP 56 N -1.77 4.24 0.01 -1.34 2.03 0.41 -4.14 116.55 115.97 1dmo n ASP 56 Ca 0.05 -3.18 0.03 0.00 0.52 0.00 0.00 54.79 52.21 1dmo n ASP 56 Cb 0.29 -0.75 -0.11 0.00 -0.72 0.00 0.00 41.12 39.84 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1dmo n ALA 57 N -0.37 2.21 0.27 -1.67 0.00 -1.14 -3.97 120.51 115.84 1dmo n ALA 57 Ca 0.42 -0.62 0.06 0.00 0.00 0.00 0.00 53.44 53.30 1dmo n ALA 57 Cb 1.36 -0.79 0.22 0.00 0.00 0.00 0.00 19.45 20.23 1dmo n ALA 57 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1dmo n ASP 58 N -2.65 3.02 -2.16 0.00 8.00 -1.26 -4.88 116.55 116.63 1dmo n ASP 58 Ca -0.10 -2.25 -0.17 0.00 0.71 0.00 0.00 54.79 52.97 1dmo n ASP 58 Cb 0.77 -0.44 0.01 0.00 -0.02 0.00 0.00 41.12 41.44 1dmo n ASP 58 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1dmo n GLY 59 N 0.83 -0.31 0.03 0.44 0.00 -1.25 -4.93 105.19 99.99 1dmo n GLY 59 Ca 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 46.02 46.04 1dmo n GLY 59 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1dmo h ASN 60 N -0.48 0.00 0.00 1.61 4.21 -1.84 -3.48 115.58 115.60 1dmo h ASN 60 Ca -0.41 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.10 1dmo h ASN 60 Cb 1.30 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.50 1dmo h ASN 60 CO 0.47 0.32 0.00 0.61 -1.29 0.00 0.00 177.43 177.54 1dmo n GLY 61 N 1.78 0.75 3.28 2.83 0.00 -1.26 -5.03 105.19 107.54 1dmo n GLY 61 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.32 0.00 0.01 2.61 -4.23 -1.26 -3.87 115.64 106.58 1dmo s THR 62 Ca 0.00 -1.87 0.00 0.00 -1.18 0.00 0.00 61.69 58.64 1dmo s THR 62 Cb 0.00 -2.44 -0.01 0.00 1.34 0.00 0.00 72.50 71.39 1dmo s THR 62 CO 0.00 0.00 -0.01 -0.63 -0.54 0.00 0.00 174.62 173.44 1dmo s ILE 63 N -4.12 0.06 0.42 2.99 1.01 0.72 -4.76 121.20 117.51 1dmo s ILE 63 Ca 0.36 -0.35 0.07 0.00 0.00 0.00 0.00 60.65 60.72 1dmo s ILE 63 Cb 0.05 -0.12 -0.04 0.00 0.01 0.00 0.00 42.46 42.37 1dmo s ILE 63 CO 0.11 -0.18 0.27 1.51 0.00 0.00 0.00 174.94 176.65 1dmo s ASP 64 N -0.56 4.70 0.20 3.58 1.47 -1.26 -0.93 116.67 123.87 1dmo s ASP 64 Ca -0.06 -0.94 -0.10 0.00 1.18 0.00 0.00 52.55 52.63 1dmo s ASP 64 Cb -0.04 -0.49 0.24 0.00 -0.34 0.00 0.00 42.92 42.29 1dmo s ASP 64 CO -0.00 -0.61 1.76 0.15 0.68 0.00 0.00 175.17 177.15 1dmo h PHE 65 N 1.23 0.46 0.43 2.11 3.57 -1.97 -1.43 116.94 121.35 1dmo h PHE 65 Ca -0.42 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.10 1dmo h PHE 65 Cb 1.26 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.86 1dmo h PHE 65 CO 0.59 0.17 -0.45 -1.35 -2.23 0.00 0.00 178.31 175.04 1dmo h PRO 66 N 0.48 -0.86 -0.94 6.41 0.11 -1.96 -1.87 132.00 133.36 1dmo h PRO 66 Ca 0.29 0.06 0.12 0.00 0.11 0.00 0.00 66.00 66.58 1dmo h PRO 66 Cb 0.29 0.20 -0.09 0.00 0.11 0.00 0.00 31.00 31.51 1dmo h PRO 66 CO -0.25 -0.57 0.57 0.93 -0.21 0.00 0.00 178.00 178.46 1dmo h GLU 67 N -0.90 0.85 -0.83 1.05 4.39 -1.94 0.15 114.58 117.36 1dmo h GLU 67 Ca -0.04 -0.05 0.13 0.00 0.34 0.00 0.00 59.36 59.73 1dmo h GLU 67 Cb 0.79 -0.19 -0.06 0.00 -0.10 0.00 0.00 28.75 29.19 1dmo h GLU 67 CO -0.07 0.56 0.54 0.35 -1.16 0.00 0.00 179.01 179.23 1dmo h PHE 68 N 0.88 0.76 -0.38 4.33 3.04 -0.59 -0.21 116.94 124.77 1dmo h PHE 68 Ca 0.48 0.02 -0.04 0.00 3.98 0.00 0.00 57.97 62.41 1dmo h PHE 68 Cb 0.52 -0.24 -0.02 0.00 2.56 0.00 0.00 35.95 38.78 1dmo h PHE 68 CO -0.03 0.31 0.09 -0.07 -2.02 0.00 0.00 178.31 176.59 1dmo h LEU 69 N 0.67 0.58 -0.00 0.59 3.38 0.07 -1.79 115.31 118.80 1dmo h LEU 69 Ca 0.40 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 58.15 1dmo h LEU 69 Cb 0.63 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 1dmo h LEU 69 CO -0.17 0.67 -0.06 0.74 0.09 0.00 0.00 178.44 179.71 1dmo h THR 70 N 0.46 0.84 0.49 0.22 2.02 -0.76 0.34 112.91 116.52 1dmo h THR 70 Ca 0.12 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.28 1dmo h THR 70 Cb 0.32 0.84 -0.02 0.00 -1.74 0.00 0.00 68.15 67.55 1dmo h THR 70 CO 0.00 0.00 -0.45 -0.03 0.37 0.00 0.00 175.52 175.41 1dmo h MET 71 N -0.11 -0.90 -0.85 6.66 -1.53 -1.12 -1.53 114.93 115.56 1dmo h MET 71 Ca 0.03 0.06 0.14 0.00 -3.44 0.00 0.00 59.70 56.49 1dmo h MET 71 Cb 0.14 0.20 -0.06 0.00 -0.55 0.00 0.00 31.60 31.33 1dmo h MET 71 CO -0.07 -0.60 0.55 0.52 0.14 0.00 0.00 176.91 177.45 1dmo h MET 72 N -0.93 0.61 0.00 0.39 2.07 -1.23 0.25 114.93 116.09 1dmo h MET 72 Ca -0.06 -0.04 -0.02 0.00 -2.07 0.00 0.00 59.70 57.51 1dmo h MET 72 Cb 0.80 -0.14 -0.00 0.00 -1.87 0.00 0.00 31.60 30.39 1dmo h MET 72 CO -0.03 0.41 -0.07 0.00 1.07 0.00 0.00 176.91 178.28 1dmo h ALA 73 N 1.61 1.64 -0.05 6.32 0.00 0.39 0.14 119.26 129.32 1dmo h ALA 73 Ca 0.42 -0.07 -0.23 0.00 0.00 0.00 0.00 54.91 55.03 1dmo h ALA 73 Cb 0.72 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.50 1dmo h ALA 73 CO -0.18 0.09 -0.89 -0.09 0.00 0.00 0.00 179.25 178.18 1dmo h ARG 74 N 0.00 0.58 0.04 0.00 2.43 0.48 -0.34 114.38 117.57 1dmo h ARG 74 Ca -0.00 -0.56 -0.28 0.00 -0.81 0.00 0.00 59.98 58.33 1dmo h ARG 74 Cb 0.15 0.14 0.02 0.00 -0.42 0.00 0.00 29.97 29.87 1dmo h ARG 74 CO 0.01 1.18 -1.11 0.87 -1.51 0.00 0.00 179.97 179.41 1dmo h LYS 75 N 0.36 0.67 0.00 0.20 1.79 -1.09 -3.09 116.57 115.41 1dmo h LYS 75 Ca -0.08 -0.77 0.00 0.00 -2.18 0.00 0.00 60.65 57.62 1dmo h LYS 75 Cb 1.52 0.23 0.00 0.00 -1.58 0.00 0.00 32.23 32.40 1dmo h LYS 75 CO 0.17 1.34 0.00 -1.33 -1.08 0.00 0.00 179.45 178.55 1dmo n MET 76 N -3.83 0.02 -4.03 3.15 2.81 0.43 -4.89 117.12 110.78 1dmo n MET 76 Ca -0.12 0.06 -0.31 0.00 -1.81 0.00 0.00 57.70 55.52 1dmo n MET 76 Cb 0.92 -1.53 -0.01 0.00 -0.71 0.00 0.00 33.22 31.90 1dmo n MET 76 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1dmo n LYS 77 N -1.56 -3.99 -3.31 0.03 5.02 -0.16 -2.90 118.16 111.29 1dmo n LYS 77 Ca 0.06 0.46 -0.33 0.00 -2.02 0.00 0.00 58.31 56.48 1dmo n LYS 77 Cb 0.32 -5.07 0.03 0.00 -0.02 0.00 0.00 35.03 30.29 1dmo n LYS 77 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1dmo n ASP 78 N -2.82 -4.76 -4.71 4.39 8.00 -1.06 -4.86 116.55 110.73 1dmo n ASP 78 Ca -0.06 -0.27 -0.31 0.00 0.71 0.00 0.00 54.79 54.86 1dmo n ASP 78 Cb 0.56 -1.42 0.14 0.00 -0.02 0.00 0.00 41.12 40.39 1dmo n ASP 78 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1dmo s THR 79 N -1.55 2.62 0.00 -3.53 2.01 -1.14 -4.93 115.64 109.12 1dmo s THR 79 Ca 0.29 0.20 0.00 0.00 0.31 0.00 0.00 61.69 62.49 1dmo s THR 79 Cb -0.03 -2.45 0.00 0.00 0.01 0.00 0.00 72.50 70.03 1dmo s THR 79 CO 0.79 -0.26 0.04 0.47 -0.69 0.00 0.00 174.62 174.96 1dmo n ASP 80 N -3.95 -0.01 0.22 3.53 8.00 -1.26 -4.81 116.55 118.27 1dmo n ASP 80 Ca 0.10 -0.08 0.08 0.00 0.71 0.00 0.00 54.79 55.60 1dmo n ASP 80 Cb 0.53 0.00 0.51 0.00 -0.02 0.00 0.00 41.12 42.14 1dmo n ASP 80 CO 0.00 0.00 0.00 0.28 -0.39 0.00 0.00 177.20 177.09 1dmo h SER 81 N 0.00 0.00 -0.46 -2.24 0.02 -2.01 -2.49 113.55 106.38 1dmo h SER 81 Ca -0.01 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 1dmo h SER 81 Cb 0.14 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.66 1dmo h SER 81 CO -0.00 0.26 0.50 1.05 -1.14 0.00 0.00 176.83 177.50 1dmo h GLU 82 N 0.00 0.00 0.71 3.45 4.11 -1.93 -1.70 114.58 119.22 1dmo h GLU 82 Ca -0.00 0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1dmo h GLU 82 Cb 0.58 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.84 1dmo h GLU 82 CO 0.03 0.00 -0.34 0.93 0.07 0.00 0.00 179.01 179.70 1dmo h GLU 83 N 0.00 -0.92 -0.82 1.06 5.08 -1.85 0.17 114.58 117.30 1dmo h GLU 83 Ca 0.22 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.84 1dmo h GLU 83 Cb 1.22 0.21 -0.14 0.00 0.50 0.00 0.00 28.75 30.54 1dmo h GLU 83 CO -0.00 -0.61 0.12 0.93 -1.00 0.00 0.00 179.01 178.44 1dmo h GLU 84 N -1.08 0.15 -0.23 2.33 5.08 -1.50 0.21 114.58 119.54 1dmo h GLU 84 Ca -0.10 -0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1dmo h GLU 84 Cb 0.73 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 1dmo h GLU 84 CO 0.16 0.10 0.12 0.82 -1.00 0.00 0.00 179.01 179.21 1dmo h ILE 85 N 0.16 1.13 -0.98 3.13 2.04 -1.36 -2.41 117.51 119.22 1dmo h ILE 85 Ca 0.49 -0.37 0.33 0.00 1.00 0.00 0.00 64.86 66.31 1dmo h ILE 85 Cb 0.92 0.95 -0.16 0.00 -0.74 0.00 0.00 36.82 37.80 1dmo h ILE 85 CO -0.67 0.13 0.48 -0.09 0.00 0.00 0.00 178.15 178.01 1dmo h ARG 86 N 0.25 0.20 -0.20 2.37 2.43 0.25 0.50 114.38 120.19 1dmo h ARG 86 Ca 0.08 -0.01 -0.06 0.00 -0.81 0.00 0.00 59.98 59.18 1dmo h ARG 86 Cb 0.10 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 1dmo h ARG 86 CO -0.01 0.13 -0.10 1.49 -1.51 0.00 0.00 179.97 179.97 1dmo h GLU 87 N 0.21 0.41 -1.01 0.20 4.81 -1.03 -2.33 114.58 115.84 1dmo h GLU 87 Ca 0.73 -0.18 0.32 0.00 -0.13 0.00 0.00 59.36 60.10 1dmo h GLU 87 Cb 1.72 -0.01 -0.15 0.00 0.63 0.00 0.00 28.75 30.94 1dmo h GLU 87 CO -0.67 0.71 0.58 0.00 -0.73 0.00 0.00 179.01 178.89 1dmo h ALA 88 N 0.69 1.97 -0.01 2.92 0.00 0.26 0.29 119.26 125.37 1dmo h ALA 88 Ca 0.04 0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.94 1dmo h ALA 88 Cb 0.59 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.54 1dmo h ALA 88 CO 0.03 -0.57 -0.75 0.74 0.00 0.00 0.00 179.25 178.70 1dmo h PHE 89 N 0.34 0.78 -0.22 0.00 0.04 -1.26 -3.09 116.94 113.52 1dmo h PHE 89 Ca 0.73 -0.41 0.06 0.00 2.80 0.00 0.00 57.97 61.15 1dmo h PHE 89 Cb 1.66 -0.09 -0.01 0.00 2.20 0.00 0.00 35.95 39.71 1dmo h PHE 89 CO -0.01 1.24 0.46 -0.09 -0.60 0.00 0.00 178.31 179.30 1dmo h ARG 90 N 0.10 0.00 0.00 1.51 2.43 0.10 0.34 114.38 118.86 1dmo h ARG 90 Ca -0.09 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 1dmo h ARG 90 Cb 1.43 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.98 1dmo h ARG 90 CO 0.15 0.00 0.00 0.28 -1.51 0.00 0.00 179.97 178.89 1dmo n VAL 91 N -3.23 0.00 0.00 0.20 0.31 -0.76 -2.32 118.33 112.53 1dmo n VAL 91 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.36 1dmo n VAL 91 Cb 0.57 -0.88 0.00 0.00 -0.91 0.00 0.00 33.84 32.62 1dmo n VAL 91 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 1dmo n PHE 92 N -0.97 0.00 -1.52 3.52 3.01 0.12 -4.99 117.46 116.63 1dmo n PHE 92 Ca 0.04 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.37 1dmo n PHE 92 Cb 0.02 0.00 -0.10 0.00 -0.01 0.00 0.00 39.48 39.39 1dmo n PHE 92 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 1dmo n ASP 93 N -0.16 1.01 0.00 4.37 8.00 -0.98 -3.94 116.55 124.85 1dmo n ASP 93 Ca 0.00 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1dmo n ASP 93 Cb 0.00 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 39.58 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1dmo n LYS 94 N 7.89 4.73 0.12 -1.24 5.02 -1.26 -4.40 118.16 129.02 1dmo n LYS 94 Ca 0.42 0.00 0.10 0.00 -2.02 0.00 0.00 58.31 56.81 1dmo n LYS 94 Cb 0.43 -0.40 0.47 0.00 -0.02 0.00 0.00 35.03 35.51 1dmo n LYS 94 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1dmo n ASP 95 N -0.01 0.52 0.00 4.39 5.75 -1.25 -4.34 116.55 121.61 1dmo n ASP 95 Ca 0.00 0.67 0.00 0.00 -0.01 0.00 0.00 54.79 55.45 1dmo n ASP 95 Cb 0.00 -0.76 0.00 0.00 -1.03 0.00 0.00 41.12 39.33 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1dmo n GLY 96 N -0.55 0.00 3.12 6.12 0.00 -1.26 -5.04 105.19 107.58 1dmo n GLY 96 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 1dmo n GLY 96 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1dmo n ASN 97 N 0.00 -7.12 0.00 1.61 4.05 -1.26 -4.79 115.26 107.74 1dmo n ASN 97 Ca 0.00 0.13 0.00 0.00 0.45 0.00 0.00 54.58 55.16 1dmo n ASN 97 Cb 0.00 -4.24 0.00 0.00 1.23 0.00 0.00 39.78 36.77 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1dmo n GLY 98 N -0.69 0.00 3.38 8.20 0.00 -1.26 -5.05 105.19 109.77 1dmo n GLY 98 Ca 0.01 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.41 0.23 1.61 1.51 -1.26 -4.34 117.35 114.69 1dmo s TYR 99 Ca 0.00 0.61 0.11 0.00 -1.01 0.00 0.00 57.07 56.79 1dmo s TYR 99 Cb 0.00 0.27 -0.05 0.00 -0.11 0.00 0.00 41.96 42.07 1dmo s TYR 99 CO 0.00 -0.53 -0.22 0.96 -1.11 0.00 0.00 175.55 174.65 1dmo s ILE 100 N -1.59 2.33 -0.10 2.71 -4.36 0.36 -4.65 121.20 115.89 1dmo s ILE 100 Ca -0.10 -2.18 -0.29 0.00 -0.26 0.00 0.00 60.65 57.81 1dmo s ILE 100 Cb -0.02 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.48 1dmo s ILE 100 CO 0.05 -0.27 1.53 -0.44 0.24 0.00 0.00 174.94 176.05 1dmo s SER 101 N -3.03 6.74 0.43 4.36 0.01 -1.26 0.12 113.70 121.07 1dmo s SER 101 Ca 0.24 2.02 0.08 0.00 1.31 0.00 0.00 55.95 59.61 1dmo s SER 101 Cb -0.06 -2.53 0.45 0.00 0.21 0.00 0.00 66.02 64.09 1dmo s SER 101 CO 0.11 -0.90 1.13 0.00 0.41 0.00 0.00 173.24 174.00 1dmo h ALA 102 N 9.19 1.46 0.11 1.44 0.00 -1.81 0.12 119.26 129.78 1dmo h ALA 102 Ca -0.35 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 1dmo h ALA 102 Cb 1.15 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.94 1dmo h ALA 102 CO 0.96 -0.46 -0.05 0.00 0.00 0.00 0.00 179.25 179.70 1dmo h ALA 103 N 0.57 -0.16 -0.56 0.00 0.00 -1.91 -2.92 119.26 114.28 1dmo h ALA 103 Ca 0.00 -0.03 0.16 0.00 0.00 0.00 0.00 54.91 55.04 1dmo h ALA 103 Cb 1.18 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1dmo h ALA 103 CO 0.00 -0.15 0.41 0.93 0.00 0.00 0.00 179.25 180.44 1dmo h GLU 104 N -0.93 0.00 0.63 0.00 4.39 -1.20 -0.99 114.58 116.48 1dmo h GLU 104 Ca -0.02 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.66 1dmo h GLU 104 Cb 0.11 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 28.76 1dmo h GLU 104 CO 0.03 0.00 -0.35 1.25 -1.16 0.00 0.00 179.01 178.77 1dmo h LEU 105 N 0.00 -0.86 -1.90 1.33 6.46 -1.22 0.91 115.31 120.03 1dmo h LEU 105 Ca 0.26 0.04 0.19 0.00 -0.12 0.00 0.00 57.88 58.25 1dmo h LEU 105 Cb 1.08 0.24 -0.03 0.00 -0.73 0.00 0.00 40.66 41.23 1dmo h LEU 105 CO -0.00 -0.57 0.59 -0.09 -0.62 0.00 0.00 178.44 177.76 1dmo h ARG 106 N -0.91 0.00 0.01 1.25 2.43 -0.99 1.48 114.38 117.65 1dmo h ARG 106 Ca -0.08 0.00 -0.22 0.00 -0.81 0.00 0.00 59.98 58.87 1dmo h ARG 106 Cb 0.72 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.24 1dmo h ARG 106 CO 0.10 0.00 -1.11 1.25 -1.51 0.00 0.00 179.97 178.71 1dmo h HIS 107 N 0.00 0.02 0.00 2.20 2.76 -0.59 -3.21 115.15 116.34 1dmo h HIS 107 Ca 0.31 -0.02 -0.04 0.00 -2.20 0.00 0.00 60.37 58.42 1dmo h HIS 107 Cb 1.49 -0.00 -0.01 0.00 1.55 0.00 0.00 27.41 30.44 1dmo h HIS 107 CO 0.00 1.02 -0.20 0.28 -1.30 0.00 0.00 177.93 177.73 1dmo h VAL 108 N 0.00 0.84 0.00 5.26 2.07 0.94 -1.40 116.25 123.95 1dmo h VAL 108 Ca -0.05 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 1dmo h VAL 108 Cb 1.81 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.02 1dmo h VAL 108 CO 0.13 0.19 -0.32 0.24 0.02 0.00 0.00 177.57 177.83 1dmo h MET 109 N 0.00 0.00 0.16 1.57 2.07 -1.33 -2.00 114.93 115.40 1dmo h MET 109 Ca -0.00 0.00 -0.30 0.00 -2.07 0.00 0.00 59.70 57.33 1dmo h MET 109 Cb 0.44 0.00 0.01 0.00 -1.87 0.00 0.00 31.60 30.18 1dmo h MET 109 CO 0.03 0.31 -1.40 1.15 1.07 0.00 0.00 176.91 178.06 1dmo h THR 110 N 0.00 1.33 0.13 2.22 2.02 -1.31 0.15 112.91 117.45 1dmo h THR 110 Ca -0.00 -2.88 -0.28 0.00 0.77 0.00 0.00 66.41 64.02 1dmo h THR 110 Cb 1.24 2.92 0.01 0.00 -1.74 0.00 0.00 68.15 70.57 1dmo h THR 110 CO 0.04 0.85 -1.24 -1.13 0.37 0.00 0.00 175.52 174.41 1dmo h ASN 111 N 0.09 0.45 0.01 4.18 -0.73 -1.38 -3.34 115.58 114.86 1dmo h ASN 111 Ca -0.20 -0.48 0.03 0.00 1.87 0.00 0.00 56.30 57.52 1dmo h ASN 111 Cb 2.04 -0.15 -0.04 0.00 0.27 0.00 0.00 38.32 40.45 1dmo h ASN 111 CO 0.21 1.37 -0.19 0.25 -0.37 0.00 0.00 177.43 178.70 1dmo h LEU 112 N 0.08 -0.57 0.00 0.34 5.85 -1.47 -3.44 115.31 116.10 1dmo h LEU 112 Ca -0.14 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.66 1dmo h LEU 112 Cb 1.97 0.23 0.00 0.00 0.37 0.00 0.00 40.66 43.23 1dmo h LEU 112 CO 0.21 -0.26 0.00 0.61 -0.34 0.00 0.00 178.44 178.66 1dmo n GLY 113 N -1.32 0.00 3.60 3.75 0.00 -1.23 -4.99 105.19 105.00 1dmo n GLY 113 Ca -0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.77 1dmo n GLY 113 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 1dmo n GLU 114 N 0.00 -0.70 -0.38 1.61 0.28 0.53 -4.77 120.64 117.22 1dmo n GLU 114 Ca 0.00 0.06 0.08 0.00 -0.16 0.00 0.00 57.16 57.14 1dmo n GLU 114 Cb 0.00 -1.01 0.26 0.00 1.43 0.00 0.00 31.44 32.12 1dmo n GLU 114 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1dmo n LYS 115 N -2.50 2.68 -3.56 3.44 4.81 -1.26 -4.71 118.16 117.06 1dmo n LYS 115 Ca -0.11 -2.10 -0.24 0.00 -0.87 0.00 0.00 58.31 54.99 1dmo n LYS 115 Cb 0.34 -1.59 -0.15 0.00 0.02 0.00 0.00 35.03 33.65 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 -1.25 0.22 -0.24 3.14 1.02 -1.26 -5.10 118.68 115.21 1dmo s LEU 116 Ca 0.38 -0.60 -0.42 0.00 0.02 0.00 0.00 54.13 53.51 1dmo s LEU 116 Cb 0.22 -0.05 -0.19 0.00 0.02 0.00 0.00 46.19 46.19 1dmo s LEU 116 CO 0.22 -0.36 1.29 0.35 0.02 0.00 0.00 176.35 177.87 1dmo n THR 117 N 5.29 0.00 0.29 5.49 -2.24 -1.26 -4.44 114.28 117.41 1dmo n THR 117 Ca -0.06 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.77 1dmo n THR 117 Cb 0.48 -0.24 0.23 0.00 -2.10 0.00 0.00 70.33 68.70 1dmo n THR 117 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 1dmo h ASP 118 N 3.85 0.00 0.07 3.42 3.58 -1.98 1.69 116.42 127.04 1dmo h ASP 118 Ca -0.46 0.00 -0.21 0.00 0.42 0.00 0.00 57.03 56.78 1dmo h ASP 118 Cb 1.35 0.00 0.02 0.00 1.72 0.00 0.00 39.33 42.42 1dmo h ASP 118 CO 0.78 0.00 -0.85 -0.08 -2.88 0.00 0.00 179.24 176.22 1dmo h GLU 119 N 0.00 0.45 -0.34 0.28 4.57 -2.00 -2.41 114.58 115.13 1dmo h GLU 119 Ca 0.03 -0.58 -0.15 0.00 -1.18 0.00 0.00 59.36 57.49 1dmo h GLU 119 Cb 1.73 0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 30.50 1dmo h GLU 119 CO -0.00 1.23 -0.37 0.93 -1.18 0.00 0.00 179.01 179.61 1dmo h GLU 120 N -0.05 0.81 -0.68 1.92 4.39 0.22 -2.48 114.58 118.70 1dmo h GLU 120 Ca -0.13 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.12 1dmo h GLU 120 Cb 1.58 0.01 -0.03 0.00 -0.10 0.00 0.00 28.75 30.20 1dmo h GLU 120 CO 0.16 1.04 0.25 0.28 -1.16 0.00 0.00 179.01 179.59 1dmo h VAL 121 N 0.67 1.24 -0.34 3.13 2.07 -1.24 -2.34 116.25 119.44 1dmo h VAL 121 Ca 0.06 -0.78 -0.05 0.00 0.82 0.00 0.00 66.70 66.75 1dmo h VAL 121 Cb 0.93 0.45 -0.01 0.00 -1.52 0.00 0.00 31.29 31.13 1dmo h VAL 121 CO 0.09 0.31 0.02 0.44 0.02 0.00 0.00 177.57 178.44 1dmo h ASP 122 N 0.99 0.57 -0.11 0.57 3.32 -1.26 0.25 116.42 120.76 1dmo h ASP 122 Ca 0.23 -0.30 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1dmo h ASP 122 Cb 0.22 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 1dmo h ASP 122 CO -0.02 0.73 0.07 -0.33 -1.72 0.00 0.00 179.24 177.98 1dmo h GLU 123 N 0.40 0.13 0.16 3.56 4.39 -1.17 -2.48 114.58 119.57 1dmo h GLU 123 Ca 0.10 -0.01 -0.35 0.00 0.34 0.00 0.00 59.36 59.44 1dmo h GLU 123 Cb 0.42 -0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 1dmo h GLU 123 CO 0.01 0.09 -1.77 1.98 -1.16 0.00 0.00 179.01 178.17 1dmo h MET 124 N 0.14 0.33 -0.61 2.33 4.05 -1.09 -3.34 114.93 116.75 1dmo h MET 124 Ca 0.04 -0.57 0.11 0.00 -0.28 0.00 0.00 59.70 59.00 1dmo h MET 124 Cb 0.00 0.21 -0.04 0.00 -0.80 0.00 0.00 31.60 30.97 1dmo h MET 124 CO -0.01 1.24 0.41 0.82 0.23 0.00 0.00 176.91 179.60 1dmo h ILE 125 N 0.09 0.88 -0.08 1.77 2.04 -0.14 0.76 117.51 122.83 1dmo h ILE 125 Ca -0.34 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.39 1dmo h ILE 125 Cb 2.07 0.46 -0.00 0.00 -0.74 0.00 0.00 36.82 38.60 1dmo h ILE 125 CO 0.15 0.07 0.06 -0.09 0.00 0.00 0.00 178.15 178.34 1dmo h ARG 126 N 0.39 0.09 -0.59 2.37 2.43 -1.57 -1.07 114.38 116.41 1dmo h ARG 126 Ca 0.28 -0.01 -0.21 0.00 -0.81 0.00 0.00 59.98 59.24 1dmo h ARG 126 Cb 0.60 -0.02 -0.12 0.00 -0.42 0.00 0.00 29.97 30.01 1dmo h ARG 126 CO -0.08 0.06 0.19 0.39 -1.51 0.00 0.00 179.97 179.02 1dmo n GLU 127 N -4.52 2.94 -0.15 0.20 1.02 0.24 -4.66 120.64 115.71 1dmo n GLU 127 Ca -0.02 -3.06 0.00 0.00 -0.02 0.00 0.00 57.16 54.07 1dmo n GLU 127 Cb 0.10 -2.05 0.00 0.00 -0.02 0.00 0.00 31.44 29.47 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 -0.58 2.76 -3.76 0.62 0.00 -0.41 -4.73 120.51 114.41 1dmo n ALA 128 Ca 0.38 0.00 -0.25 0.00 0.00 0.00 0.00 53.44 53.57 1dmo n ALA 128 Cb 1.25 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.65 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 0.96 -2.01 -4.86 0.00 5.15 -1.26 -4.35 115.26 108.90 1dmo n ASN 129 Ca 0.00 -0.92 -0.31 0.00 -0.60 0.00 0.00 54.58 52.75 1dmo n ASN 129 Cb 0.41 -3.63 -0.02 0.00 -0.53 0.00 0.00 39.78 36.01 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 1dmo s ILE 130 N -3.71 4.66 -0.25 -1.44 1.01 -1.26 -4.71 121.20 115.50 1dmo s ILE 130 Ca 0.12 0.92 -0.01 0.00 0.00 0.00 0.00 60.65 61.68 1dmo s ILE 130 Cb -0.04 -3.76 -0.15 0.00 0.01 0.00 0.00 42.46 38.52 1dmo s ILE 130 CO 0.84 -0.74 -0.25 -0.90 0.00 0.00 0.00 174.94 173.90 1dmo n ASP 131 N -1.78 2.03 0.00 3.58 5.75 -1.26 -5.03 116.55 119.85 1dmo n ASP 131 Ca 0.05 -0.03 0.00 0.00 -0.01 0.00 0.00 54.79 54.79 1dmo n ASP 131 Cb 0.54 -0.47 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 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 2.11 0.48 2.06 6.12 0.00 -1.26 -5.07 105.19 109.63 1dmo n GLY 132 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.24 0.00 1.61 8.00 -1.26 -5.08 116.55 118.58 1dmo n ASP 133 Ca 0.00 0.54 0.00 0.00 0.71 0.00 0.00 54.79 56.04 1dmo n ASP 133 Cb 0.00 1.32 0.00 0.00 -0.02 0.00 0.00 41.12 42.42 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 0.60 -0.26 3.20 0.44 0.00 -1.26 -5.11 105.19 102.80 1dmo n GLY 134 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 0.77 -0.09 1.61 -2.07 -1.26 -4.31 119.66 114.30 1dmo s GLN 135 Ca 0.00 -0.73 -0.05 0.00 -1.82 0.00 0.00 55.36 52.76 1dmo s GLN 135 Cb 0.00 0.32 0.04 0.00 -1.09 0.00 0.00 33.01 32.28 1dmo s GLN 135 CO 0.00 -0.23 0.21 0.08 -1.32 0.00 0.00 175.29 174.03 1dmo s VAL 136 N -3.04 -0.04 -1.18 3.63 1.01 0.32 -4.58 120.40 116.52 1dmo s VAL 136 Ca -0.01 0.13 -0.23 0.00 0.00 0.00 0.00 61.98 61.87 1dmo s VAL 136 Cb 0.01 -0.33 -0.09 0.00 0.00 0.00 0.00 36.38 35.97 1dmo s VAL 136 CO -0.06 0.06 1.94 0.21 0.00 0.00 0.00 175.10 177.24 1dmo s ASN 137 N 1.07 5.01 0.34 3.32 3.84 -1.26 -0.49 114.94 126.77 1dmo s ASN 137 Ca -0.08 -1.64 0.13 0.00 0.21 0.00 0.00 52.86 51.47 1dmo s ASN 137 Cb -0.09 -2.59 1.09 0.00 -0.55 0.00 0.00 41.25 39.11 1dmo s ASN 137 CO -0.07 -3.10 1.58 0.10 -2.79 0.00 0.00 177.10 172.82 1dmo h TYR 138 N 9.77 0.45 -0.39 0.43 -0.00 -1.89 0.56 116.97 125.90 1dmo h TYR 138 Ca 0.21 0.05 0.08 0.00 0.00 0.00 0.00 58.73 59.08 1dmo h TYR 138 Cb 0.94 -0.03 -0.08 0.00 0.00 0.00 0.00 36.73 37.56 1dmo h TYR 138 CO 1.21 -0.46 -0.16 0.93 -0.00 0.00 0.00 178.16 179.68 1dmo h GLU 139 N 0.01 -0.08 0.00 0.10 5.08 -1.85 0.58 114.58 118.42 1dmo h GLU 139 Ca 0.74 0.01 -0.03 0.00 -1.00 0.00 0.00 59.36 59.07 1dmo h GLU 139 Cb 1.81 0.02 -0.00 0.00 0.50 0.00 0.00 28.75 31.07 1dmo h GLU 139 CO -0.84 -0.05 -0.16 0.93 -1.00 0.00 0.00 179.01 177.89 1dmo h GLU 140 N -0.08 0.00 -0.03 2.33 4.39 -0.30 -1.43 114.58 119.46 1dmo h GLU 140 Ca 0.19 0.00 -0.15 0.00 0.34 0.00 0.00 59.36 59.75 1dmo h GLU 140 Cb 0.37 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.01 1dmo h GLU 140 CO -0.44 0.16 -0.64 0.35 -1.16 0.00 0.00 179.01 177.28 1dmo h PHE 141 N 0.00 0.18 0.00 4.33 3.04 0.69 -0.67 116.94 124.51 1dmo h PHE 141 Ca -0.00 -0.07 -0.06 0.00 3.98 0.00 0.00 57.97 61.82 1dmo h PHE 141 Cb 0.31 -0.03 -0.01 0.00 2.56 0.00 0.00 35.95 38.78 1dmo h PHE 141 CO 0.00 0.74 -0.28 0.28 -2.02 0.00 0.00 178.31 177.02 1dmo h VAL 142 N 0.10 0.73 0.07 1.41 2.07 0.10 -2.28 116.25 118.45 1dmo h VAL 142 Ca -0.01 -1.23 -0.33 0.00 0.82 0.00 0.00 66.70 65.96 1dmo h VAL 142 Cb 1.15 1.78 -0.03 0.00 -1.52 0.00 0.00 31.29 32.67 1dmo h VAL 142 CO 0.09 0.28 -1.84 1.56 0.02 0.00 0.00 177.57 177.68 1dmo h GLN 143 N 0.00 0.14 -0.50 1.57 1.08 -1.20 -3.36 115.11 112.83 1dmo h GLN 143 Ca -0.00 -0.25 -0.09 0.00 -1.45 0.00 0.00 58.65 56.86 1dmo h GLN 143 Cb 0.76 0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.26 1dmo h GLN 143 CO 0.04 0.88 -0.06 0.52 -0.95 0.00 0.00 178.83 179.26 1dmo h MET 144 N 0.04 0.89 0.00 1.46 2.86 -1.05 -1.81 114.93 117.32 1dmo h MET 144 Ca -0.35 -0.28 0.00 0.00 -2.06 0.00 0.00 59.70 57.01 1dmo h MET 144 Cb 2.02 -0.08 0.00 0.00 0.06 0.00 0.00 31.60 33.61 1dmo h MET 144 CO 0.09 0.92 0.00 -1.33 1.06 0.00 0.00 176.91 177.65 1dmo n MET 145 N -4.17 0.26 -1.59 1.72 2.81 -0.87 -1.75 117.12 113.54 1dmo n MET 145 Ca 0.02 0.00 0.03 0.00 -1.81 0.00 0.00 57.70 55.94 1dmo n MET 145 Cb 0.35 -1.25 0.05 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.75 0.47 -3.75 2.03 -1.04 -0.68 -5.09 114.28 105.47 1dmo n THR 146 Ca 0.03 -1.58 -0.10 0.00 -2.04 0.00 0.00 64.05 60.36 1dmo n THR 146 Cb 0.01 0.86 -0.06 0.00 -1.82 0.00 0.00 70.33 69.32 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 -0.95 -0.62 -2.41 2.41 0.00 -0.71 -5.06 121.76 114.43 1dmo s ALA 147 Ca 0.34 -0.21 0.29 0.00 0.00 0.00 0.00 51.96 52.37 1dmo s ALA 147 Cb 0.38 0.50 1.21 0.00 0.00 0.00 0.00 23.12 25.21 1dmo s ALA 147 CO -0.14 -0.52 1.84 1.17 0.00 0.00 0.00 175.76 178.11