#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1dmo n ASP 2 N 0.00 0.00 -3.11 0.00 -0.08 -1.26 -4.99 116.55 107.11 1dmo n ASP 2 Ca 0.00 -1.06 -0.23 0.00 -1.51 0.00 0.00 54.79 51.99 1dmo n ASP 2 Cb 0.00 -0.01 0.04 0.00 2.34 0.00 0.00 41.12 43.49 1dmo n ASP 2 CO 0.00 0.00 0.00 1.67 0.12 0.00 0.00 177.20 178.99 1dmo n GLN 3 N 0.00 -5.41 -1.81 -0.67 7.27 -1.26 -4.48 117.38 111.02 1dmo n GLN 3 Ca 0.00 0.91 0.00 0.00 0.07 0.00 0.00 57.00 57.98 1dmo n GLN 3 Cb 0.51 -5.81 0.00 0.00 2.41 0.00 0.00 30.24 27.36 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1dmo n LEU 4 N -4.20 -5.91 -4.92 1.69 4.77 -1.26 -4.99 117.00 102.18 1dmo n LEU 4 Ca -0.10 2.99 -0.28 0.00 -0.03 0.00 0.00 56.01 58.60 1dmo n LEU 4 Cb 0.61 -2.87 0.10 0.00 -2.33 0.00 0.00 43.42 38.94 1dmo n LEU 4 CO 0.50 -1.07 0.74 -0.89 -1.33 0.00 0.00 177.39 175.34 1dmo s THR 5 N -1.24 2.10 0.08 -5.08 2.01 -1.26 -4.94 115.64 107.31 1dmo s THR 5 Ca 0.00 -0.12 -0.19 0.00 0.31 0.00 0.00 61.69 61.69 1dmo s THR 5 Cb 0.00 -2.98 -0.10 0.00 0.01 0.00 0.00 72.50 69.44 1dmo s THR 5 CO 0.00 0.00 1.50 -0.08 -0.69 0.00 0.00 174.62 175.35 1dmo h GLU 6 N -1.00 0.40 0.13 4.92 4.81 -1.96 -2.52 114.58 119.36 1dmo h GLU 6 Ca -0.45 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.66 1dmo h GLU 6 Cb 1.30 -0.03 -0.02 0.00 0.63 0.00 0.00 28.75 30.63 1dmo h GLU 6 CO 0.57 0.60 -0.18 1.49 -0.73 0.00 0.00 179.01 180.77 1dmo h GLU 7 N 0.16 -0.35 -0.98 1.92 4.57 -1.99 0.79 114.58 118.71 1dmo h GLU 7 Ca 0.06 0.02 0.21 0.00 -1.18 0.00 0.00 59.36 58.48 1dmo h GLU 7 Cb 0.43 0.08 -0.12 0.00 -0.16 0.00 0.00 28.75 28.98 1dmo h GLU 7 CO 0.01 -0.23 0.57 1.96 -1.18 0.00 0.00 179.01 180.14 1dmo h GLN 8 N -0.36 0.62 0.00 1.92 1.08 -1.94 1.26 115.11 117.69 1dmo h GLN 8 Ca 0.01 -0.04 -0.07 0.00 -1.45 0.00 0.00 58.65 57.11 1dmo h GLN 8 Cb 0.36 -0.14 -0.01 0.00 -0.05 0.00 0.00 27.48 27.64 1dmo h GLN 8 CO -0.07 0.41 -0.33 0.82 -0.95 0.00 0.00 178.83 178.71 1dmo h ILE 9 N 0.64 0.90 0.03 2.54 2.04 -0.79 -1.96 117.51 120.90 1dmo h ILE 9 Ca 0.60 -1.28 -0.00 0.00 1.00 0.00 0.00 64.86 65.18 1dmo h ILE 9 Cb 1.04 1.76 0.00 0.00 -0.74 0.00 0.00 36.82 38.88 1dmo h ILE 9 CO -0.44 0.32 -0.01 0.00 0.00 0.00 0.00 178.15 178.02 1dmo h ALA 10 N 1.67 -0.04 -0.17 1.87 0.00 0.39 0.28 119.26 123.25 1dmo h ALA 10 Ca -0.00 -0.22 -0.02 0.00 0.00 0.00 0.00 54.91 54.67 1dmo h ALA 10 Cb 0.74 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.53 1dmo h ALA 10 CO 0.04 -0.30 0.01 0.93 0.00 0.00 0.00 179.25 179.93 1dmo h GLU 11 N -0.48 0.25 0.38 0.00 5.08 -1.08 -2.04 114.58 116.69 1dmo h GLU 11 Ca -0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1dmo h GLU 11 Cb 0.45 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.66 1dmo h GLU 11 CO 0.01 0.27 -0.18 0.74 -1.00 0.00 0.00 179.01 178.84 1dmo h PHE 12 N 0.25 -0.48 -1.00 4.33 -1.00 -1.16 -2.75 116.94 115.13 1dmo h PHE 12 Ca 0.06 -0.01 0.23 0.00 2.81 0.00 0.00 57.97 61.06 1dmo h PHE 12 Cb 0.16 0.16 -0.09 0.00 3.61 0.00 0.00 35.95 39.78 1dmo h PHE 12 CO 0.00 -0.15 0.63 -0.22 -1.61 0.00 0.00 178.31 176.97 1dmo h LYS 13 N -0.86 0.50 0.01 1.51 3.64 -0.62 0.21 116.57 120.96 1dmo h LYS 13 Ca -0.05 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.32 1dmo h LYS 13 Cb 0.54 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1dmo h LYS 13 CO 0.09 0.33 -0.19 1.49 -2.27 0.00 0.00 179.45 178.90 1dmo h GLU 14 N 0.51 -0.30 -0.01 1.90 4.57 -1.16 0.71 114.58 120.80 1dmo h GLU 14 Ca 0.57 0.02 -0.00 0.00 -1.18 0.00 0.00 59.36 58.77 1dmo h GLU 14 Cb 1.25 0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.91 1dmo h GLU 14 CO -0.31 -0.20 0.00 0.00 -1.18 0.00 0.00 179.01 177.32 1dmo h ALA 15 N 0.58 0.01 -0.38 2.92 0.00 -0.49 0.94 119.26 122.83 1dmo h ALA 15 Ca 0.05 -0.04 0.11 0.00 0.00 0.00 0.00 54.91 55.04 1dmo h ALA 15 Cb 0.38 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 1dmo h ALA 15 CO -0.17 -0.46 0.32 0.35 0.00 0.00 0.00 179.25 179.30 1dmo h PHE 16 N -0.06 0.00 0.13 0.00 3.04 -0.18 -0.28 116.94 119.59 1dmo h PHE 16 Ca 0.00 0.00 -0.30 0.00 3.98 0.00 0.00 57.97 61.65 1dmo h PHE 16 Cb 0.07 0.00 -0.00 0.00 2.56 0.00 0.00 35.95 38.58 1dmo h PHE 16 CO -0.05 0.00 -1.47 1.03 -2.02 0.00 0.00 178.31 175.79 1dmo h SER 17 N 0.00 0.44 -1.00 0.41 0.87 0.15 -3.23 113.55 111.19 1dmo h SER 17 Ca 0.18 -0.56 0.09 0.00 -1.23 0.00 0.00 61.79 60.27 1dmo h SER 17 Cb 0.82 -0.14 -0.08 0.00 -0.44 0.00 0.00 62.40 62.56 1dmo h SER 17 CO -0.00 1.46 0.64 -0.07 -0.53 0.00 0.00 176.83 178.33 1dmo h LEU 18 N 0.08 0.98 -3.76 2.23 3.38 0.96 -0.37 115.31 118.81 1dmo h LEU 18 Ca -0.22 0.03 -0.37 0.00 0.09 0.00 0.00 57.88 57.41 1dmo h LEU 18 Cb 2.02 -0.17 -0.22 0.00 0.09 0.00 0.00 40.66 42.38 1dmo h LEU 18 CO 0.18 0.57 0.47 0.49 0.09 0.00 0.00 178.44 180.24 1dmo n PHE 19 N -4.56 2.66 -3.90 1.13 3.72 -1.03 -4.86 117.46 110.62 1dmo n PHE 19 Ca 0.17 -1.50 -0.18 0.00 -0.05 0.00 0.00 57.45 55.89 1dmo n PHE 19 Cb 0.27 -0.80 -0.17 0.00 -0.94 0.00 0.00 39.48 37.84 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 -1.05 0.73 0.00 4.37 -1.08 -0.15 -4.85 116.67 114.65 1dmo s ASP 20 Ca 0.53 -0.03 0.00 0.00 -0.52 0.00 0.00 52.55 52.52 1dmo s ASP 20 Cb 0.43 -0.27 0.00 0.00 -1.46 0.00 0.00 42.92 41.63 1dmo s ASP 20 CO 0.11 -0.13 0.04 0.29 0.52 0.00 0.00 175.17 176.01 1dmo n LYS 21 N 4.41 0.00 0.00 4.34 4.76 -1.26 -4.67 118.16 125.74 1dmo n LYS 21 Ca -0.21 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.23 1dmo n LYS 21 Cb 0.50 -1.04 0.00 0.00 -1.84 0.00 0.00 35.03 32.65 1dmo n LYS 21 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1dmo n ASP 22 N -0.54 0.00 -0.03 4.39 -0.08 -1.26 -4.54 116.55 114.49 1dmo n ASP 22 Ca 0.00 0.00 -0.21 0.00 -1.51 0.00 0.00 54.79 53.07 1dmo n ASP 22 Cb 0.00 -0.62 -0.13 0.00 2.34 0.00 0.00 41.12 42.71 1dmo n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dmo n GLY 23 N -1.48 -0.52 0.27 0.27 0.00 -1.26 -4.23 105.19 98.25 1dmo n GLY 23 Ca 0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 46.02 45.74 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 0.67 0.00 1.61 5.19 -1.93 -3.46 116.42 118.51 1dmo h ASP 24 Ca -0.46 -0.17 0.00 0.00 -0.62 0.00 0.00 57.03 55.78 1dmo h ASP 24 Cb 1.97 -0.18 0.00 0.00 0.18 0.00 0.00 39.33 41.30 1dmo h ASP 24 CO 0.03 0.78 0.00 0.61 -3.12 0.00 0.00 179.24 177.54 1dmo n GLY 25 N -0.61 1.53 3.25 2.75 0.00 -1.26 -4.96 105.19 105.89 1dmo n GLY 25 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -3.52 0.11 0.20 2.61 -4.23 -1.26 -4.05 115.64 105.50 1dmo s THR 26 Ca 0.00 -0.92 0.10 0.00 -1.18 0.00 0.00 61.69 59.69 1dmo s THR 26 Cb 0.00 -1.26 -0.04 0.00 1.34 0.00 0.00 72.50 72.54 1dmo s THR 26 CO 0.00 -0.51 -0.12 0.27 -0.54 0.00 0.00 174.62 173.73 1dmo s ILE 27 N -3.82 3.03 0.13 2.99 -4.36 -0.24 -4.88 121.20 114.04 1dmo s ILE 27 Ca 0.04 -1.81 -0.16 0.00 -0.26 0.00 0.00 60.65 58.46 1dmo s ILE 27 Cb 0.04 -2.52 -0.07 0.00 1.25 0.00 0.00 42.46 41.16 1dmo s ILE 27 CO -0.11 -0.17 0.56 0.42 0.24 0.00 0.00 174.94 175.88 1dmo s THR 28 N -1.84 4.80 0.46 8.37 -4.23 -1.26 0.14 115.64 122.09 1dmo s THR 28 Ca 0.25 0.98 0.40 0.00 -1.18 0.00 0.00 61.69 62.15 1dmo s THR 28 Cb -0.08 -3.79 0.60 0.00 1.34 0.00 0.00 72.50 70.57 1dmo s THR 28 CO 0.15 0.35 1.37 0.35 -0.54 0.00 0.00 174.62 176.29 1dmo n THR 29 N 1.11 -0.06 -0.11 3.99 -2.24 -1.26 0.17 114.28 115.89 1dmo n THR 29 Ca -0.07 1.38 -0.12 0.00 -2.27 0.00 0.00 64.05 62.97 1dmo n THR 29 Cb 0.51 -2.28 -0.03 0.00 -2.10 0.00 0.00 70.33 66.43 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 0.66 0.00 -0.78 2.10 -1.91 -2.56 116.57 114.08 1dmo h LYS 30 Ca 0.81 -0.28 0.00 0.00 -2.00 0.00 0.00 60.65 59.19 1dmo h LYS 30 Cb 3.11 -0.02 0.00 0.00 -0.90 0.00 0.00 32.23 34.42 1dmo h LYS 30 CO -0.11 0.86 0.00 0.39 -2.00 0.00 0.00 179.45 178.59 1dmo n GLU 31 N -4.39 0.04 0.03 0.07 -0.58 0.45 -3.89 120.64 112.37 1dmo n GLU 31 Ca -0.03 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.83 1dmo n GLU 31 Cb 0.37 -1.56 -0.03 0.00 -0.57 0.00 0.00 31.44 29.66 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 -0.40 -0.99 -4.62 5.85 -0.91 -1.54 115.31 112.70 1dmo h LEU 32 Ca 0.00 0.04 0.35 0.00 0.84 0.00 0.00 57.88 59.11 1dmo h LEU 32 Cb 0.40 0.15 -0.18 0.00 0.37 0.00 0.00 40.66 41.40 1dmo h LEU 32 CO 0.00 -0.15 0.33 1.23 -0.34 0.00 0.00 178.44 179.51 1dmo h GLY 33 N -0.20 1.82 1.00 3.75 0.00 -1.71 1.07 103.07 108.79 1dmo h GLY 33 Ca -0.00 -0.03 -0.01 0.00 0.00 0.00 0.00 47.33 47.29 1dmo h GLY 33 CO -0.07 -0.66 0.36 -0.84 0.00 0.00 0.00 176.54 175.34 1dmo h THR 34 N 0.03 1.20 -0.49 4.70 2.02 -1.58 -1.09 112.91 117.70 1dmo h THR 34 Ca 0.73 -0.47 -0.08 0.00 0.77 0.00 0.00 66.41 67.36 1dmo h THR 34 Cb 1.76 0.35 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 1dmo h THR 34 CO -0.82 0.21 -0.02 0.58 0.37 0.00 0.00 175.52 175.84 1dmo h VAL 35 N 0.86 1.26 -0.73 3.16 2.07 0.21 -2.54 116.25 120.54 1dmo h VAL 35 Ca 0.23 -1.11 0.00 0.00 0.82 0.00 0.00 66.70 66.64 1dmo h VAL 35 Cb 0.02 1.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1dmo h VAL 35 CO -0.04 0.39 0.46 0.24 0.02 0.00 0.00 177.57 178.64 1dmo h MET 36 N 0.73 0.98 -0.37 1.57 2.86 -0.66 -1.88 114.93 118.16 1dmo h MET 36 Ca 0.13 -0.07 -0.10 0.00 -2.06 0.00 0.00 59.70 57.60 1dmo h MET 36 Cb 0.54 -0.21 -0.02 0.00 0.06 0.00 0.00 31.60 31.98 1dmo h MET 36 CO 0.03 0.67 -0.18 -0.09 1.06 0.00 0.00 176.91 178.40 1dmo h ARG 37 N 1.00 0.68 -0.34 1.72 2.43 -0.95 -2.84 114.38 116.08 1dmo h ARG 37 Ca 0.26 -0.24 -0.09 0.00 -0.81 0.00 0.00 59.98 59.10 1dmo h ARG 37 Cb -0.07 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.41 1dmo h ARG 37 CO -0.05 0.82 -0.15 0.77 -1.51 0.00 0.00 179.97 179.85 1dmo h SER 38 N 0.61 0.61 -0.13 -3.80 0.02 -0.95 -3.07 113.55 106.84 1dmo h SER 38 Ca 0.10 -0.18 0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1dmo h SER 38 Cb 0.64 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 62.98 1dmo h SER 38 CO 0.05 0.78 -0.08 -0.07 -1.14 0.00 0.00 176.83 176.36 1dmo h LEU 39 N 0.56 -0.27 0.00 5.07 4.07 -1.16 -3.46 115.31 120.11 1dmo h LEU 39 Ca 0.09 0.06 0.00 0.00 0.08 0.00 0.00 57.88 58.12 1dmo h LEU 39 Cb 0.58 0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.47 1dmo h LEU 39 CO 0.04 -0.11 0.00 0.61 -1.08 0.00 0.00 178.44 177.89 1dmo n GLY 40 N -1.23 0.22 3.68 0.83 0.00 -1.16 -5.08 105.19 102.46 1dmo n GLY 40 Ca -0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.38 -3.08 1.61 6.02 -1.22 -5.03 117.38 115.30 1dmo n GLN 41 Ca 0.00 -2.42 -0.19 0.00 -0.01 0.00 0.00 57.00 54.38 1dmo n GLN 41 Cb 0.00 -0.80 -0.04 0.00 1.02 0.00 0.00 30.24 30.42 1dmo n GLN 41 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1dmo n ASN 42 N -3.15 -1.04 -4.76 1.08 2.04 -1.26 -4.14 115.26 104.03 1dmo n ASN 42 Ca 0.16 -2.80 -0.37 0.00 -0.44 0.00 0.00 54.58 51.13 1dmo n ASN 42 Cb 0.56 0.19 0.02 0.00 -2.53 0.00 0.00 39.78 38.02 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 -0.44 0.00 0.00 177.26 174.66 1dmo s PRO 43 N -0.30 3.29 0.15 -0.53 0.04 -1.26 -5.02 135.00 131.36 1dmo s PRO 43 Ca 0.33 1.85 -0.03 0.00 0.04 0.00 0.00 61.00 63.20 1dmo s PRO 43 Cb 0.14 -2.14 -0.05 0.00 0.04 0.00 0.00 34.50 32.50 1dmo s PRO 43 CO -0.15 -0.96 0.35 0.99 0.04 0.00 0.00 177.00 177.27 1dmo s THR 44 N -1.55 5.22 0.58 1.26 2.01 -1.26 -4.86 115.64 117.04 1dmo s THR 44 Ca 0.72 -0.16 0.38 0.00 0.31 0.00 0.00 61.69 62.94 1dmo s THR 44 Cb -0.31 -3.66 0.56 0.00 0.01 0.00 0.00 72.50 69.11 1dmo s THR 44 CO 0.35 -0.01 1.46 -0.08 -0.69 0.00 0.00 174.62 175.66 1dmo h GLU 45 N 2.63 0.00 0.00 4.92 4.81 -1.97 0.17 114.58 125.14 1dmo h GLU 45 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1dmo h GLU 45 Cb 1.17 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.55 1dmo h GLU 45 CO 0.72 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 179.00 1dmo n ALA 46 N -2.58 -0.15 -0.28 2.92 0.00 -1.26 -1.44 120.51 117.72 1dmo n ALA 46 Ca 0.33 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.85 1dmo n ALA 46 Cb 1.73 0.00 0.23 0.00 0.00 0.00 0.00 19.45 21.41 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 0.44 -0.62 0.00 5.08 -1.66 0.55 114.58 118.37 1dmo h GLU 47 Ca 0.00 -0.03 0.10 0.00 -1.00 0.00 0.00 59.36 58.44 1dmo h GLU 47 Cb 0.00 -0.10 -0.08 0.00 0.50 0.00 0.00 28.75 29.07 1dmo h GLU 47 CO 0.00 0.29 0.20 1.25 -1.00 0.00 0.00 179.01 179.75 1dmo h LEU 48 N 0.46 0.15 -1.54 1.33 5.85 -0.80 0.30 115.31 121.05 1dmo h LEU 48 Ca 0.47 0.09 -0.05 0.00 0.84 0.00 0.00 57.88 59.24 1dmo h LEU 48 Cb 0.78 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.89 1dmo h LEU 48 CO -0.44 0.09 -0.23 -0.61 -0.34 0.00 0.00 178.44 176.90 1dmo h GLN 49 N 0.36 0.00 -0.64 1.25 4.15 0.12 -2.34 115.11 118.01 1dmo h GLN 49 Ca 0.32 0.00 -0.07 0.00 0.77 0.00 0.00 58.65 59.67 1dmo h GLN 49 Cb 0.43 0.00 -0.03 0.00 0.21 0.00 0.00 27.48 28.10 1dmo h GLN 49 CO -0.35 0.23 0.12 0.22 -1.93 0.00 0.00 178.83 177.13 1dmo h ASP 50 N 0.00 0.98 -0.41 -0.69 1.82 0.15 -2.34 116.42 115.93 1dmo h ASP 50 Ca -0.00 -0.22 -0.09 0.00 -0.39 0.00 0.00 57.03 56.33 1dmo h ASP 50 Cb 0.41 -0.26 -0.01 0.00 0.68 0.00 0.00 39.33 40.15 1dmo h ASP 50 CO 0.03 0.96 -0.09 0.24 -1.61 0.00 0.00 179.24 178.77 1dmo h MET 51 N 0.97 0.79 -0.24 0.28 2.86 -0.83 -3.06 114.93 115.70 1dmo h MET 51 Ca 0.20 -0.30 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 1dmo h MET 51 Cb 0.39 -0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.95 1dmo h MET 51 CO 0.01 0.91 -0.10 0.82 1.06 0.00 0.00 176.91 179.61 1dmo h ILE 52 N 0.61 0.66 0.00 -1.22 5.03 -1.21 0.32 117.51 121.70 1dmo h ILE 52 Ca 0.11 0.00 0.00 0.00 -0.12 0.00 0.00 64.86 64.85 1dmo h ILE 52 Cb 0.61 0.66 0.00 0.00 -3.03 0.00 0.00 36.82 35.06 1dmo h ILE 52 CO 0.04 0.00 0.29 0.59 -0.68 0.00 0.00 178.15 178.39 1dmo n ASN 53 N -5.27 0.30 -0.07 1.72 5.03 -0.91 -0.43 115.26 115.64 1dmo n ASN 53 Ca -0.01 0.53 -0.22 0.00 0.87 0.00 0.00 54.58 55.75 1dmo n ASN 53 Cb 0.19 -0.48 -0.12 0.00 -1.02 0.00 0.00 39.78 38.34 1dmo n ASN 53 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.26 176.64 1dmo n GLU 54 N -1.97 0.62 0.00 3.52 2.13 0.11 -4.17 120.64 120.87 1dmo n GLU 54 Ca -0.01 0.48 0.15 0.00 0.66 0.00 0.00 57.16 58.44 1dmo n GLU 54 Cb 0.31 -1.73 0.70 0.00 0.27 0.00 0.00 31.44 30.98 1dmo n GLU 54 CO 0.00 0.00 0.00 1.33 -0.41 0.00 0.00 177.13 178.05 1dmo n VAL 55 N -4.16 0.00 0.62 6.31 0.24 -0.30 -4.00 118.33 117.04 1dmo n VAL 55 Ca -0.33 -0.09 0.00 0.00 -2.04 0.00 0.00 64.34 61.88 1dmo n VAL 55 Cb 0.79 -0.06 0.00 0.00 -1.47 0.00 0.00 33.84 33.10 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.90 -2.14 0.00 0.00 176.83 173.79 1dmo n ASP 56 N -0.66 1.52 0.00 -1.34 5.75 0.43 -2.15 116.55 120.10 1dmo n ASP 56 Ca 0.19 -1.23 0.00 0.00 -0.01 0.00 0.00 54.79 53.74 1dmo n ASP 56 Cb 0.25 -0.31 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 1dmo n ASP 56 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1dmo n ALA 57 N 0.56 0.14 0.02 2.12 0.00 -1.26 -4.93 120.51 117.16 1dmo n ALA 57 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.23 1dmo n ALA 57 Cb 0.27 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.58 1dmo n ALA 57 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1dmo h ASP 58 N 0.00 0.43 0.00 0.00 3.58 -1.64 -3.46 116.42 115.33 1dmo h ASP 58 Ca 0.00 -0.89 0.00 0.00 0.42 0.00 0.00 57.03 56.56 1dmo h ASP 58 Cb 0.51 -0.14 0.00 0.00 1.72 0.00 0.00 39.33 41.42 1dmo h ASP 58 CO 0.00 1.79 0.00 0.61 -2.88 0.00 0.00 179.24 178.76 1dmo n GLY 59 N 1.94 0.21 0.00 -0.78 0.00 -1.25 -5.07 105.19 100.23 1dmo n GLY 59 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.67 0.00 0.00 1.61 4.05 -1.26 -5.01 115.26 113.99 1dmo n ASN 60 Ca 0.00 0.00 0.00 0.00 0.45 0.00 0.00 54.58 55.03 1dmo n ASN 60 Cb 0.00 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.01 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 -0.40 0.12 4.00 8.20 0.00 -1.26 -4.94 105.19 110.90 1dmo n GLY 61 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 2.87 -0.11 2.61 -4.23 -1.26 -4.00 115.64 111.52 1dmo s THR 62 Ca 0.00 -1.04 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1dmo s THR 62 Cb 0.00 -2.91 -0.00 0.00 1.34 0.00 0.00 72.50 70.93 1dmo s THR 62 CO 0.00 0.00 -0.22 -0.63 -0.54 0.00 0.00 174.62 173.23 1dmo s ILE 63 N -2.40 2.26 0.61 2.99 1.01 0.12 -4.71 121.20 121.08 1dmo s ILE 63 Ca 0.55 -0.95 -0.04 0.00 0.00 0.00 0.00 60.65 60.21 1dmo s ILE 63 Cb -0.09 -1.88 0.03 0.00 0.01 0.00 0.00 42.46 40.54 1dmo s ILE 63 CO 0.33 0.55 0.89 -1.81 0.00 0.00 0.00 174.94 174.90 1dmo s ASP 64 N 0.36 5.23 0.20 3.58 1.11 -1.26 -1.08 116.67 124.81 1dmo s ASP 64 Ca -0.17 0.38 -0.11 0.00 0.18 0.00 0.00 52.55 52.83 1dmo s ASP 64 Cb -0.18 -1.23 0.15 0.00 1.07 0.00 0.00 42.92 42.74 1dmo s ASP 64 CO 0.08 -1.25 1.86 0.15 1.18 0.00 0.00 175.17 177.18 1dmo h PHE 65 N -0.21 0.83 0.27 4.23 3.57 -1.97 -2.21 116.94 121.44 1dmo h PHE 65 Ca -0.44 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.08 1dmo h PHE 65 Cb 1.29 -0.27 -0.03 0.00 2.79 0.00 0.00 35.95 39.73 1dmo h PHE 65 CO 0.39 0.50 -0.35 -1.35 -2.23 0.00 0.00 178.31 175.27 1dmo h PRO 66 N 0.88 -0.65 -0.71 6.41 0.10 -1.94 -2.07 132.00 134.01 1dmo h PRO 66 Ca 0.26 0.04 0.11 0.00 0.10 0.00 0.00 66.00 66.51 1dmo h PRO 66 Cb -0.04 0.15 -0.08 0.00 0.10 0.00 0.00 31.00 31.13 1dmo h PRO 66 CO -0.08 -0.43 0.33 0.93 0.10 0.00 0.00 178.00 178.84 1dmo h GLU 67 N -0.67 0.52 -0.88 1.05 3.07 -1.93 0.19 114.58 115.91 1dmo h GLU 67 Ca -0.01 -0.03 0.20 0.00 -0.50 0.00 0.00 59.36 59.03 1dmo h GLU 67 Cb 0.64 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.37 1dmo h GLU 67 CO -0.11 0.34 0.59 0.35 -1.40 0.00 0.00 179.01 178.78 1dmo h PHE 68 N 0.53 0.50 0.28 4.33 3.04 -0.75 -0.77 116.94 124.10 1dmo h PHE 68 Ca 0.36 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.32 1dmo h PHE 68 Cb 0.45 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.81 1dmo h PHE 68 CO -0.13 0.13 -0.13 -0.07 -2.02 0.00 0.00 178.31 176.09 1dmo h LEU 69 N 0.38 -0.31 -0.65 0.59 3.38 -0.06 -2.56 115.31 116.07 1dmo h LEU 69 Ca 0.46 -0.19 0.13 0.00 0.09 0.00 0.00 57.88 58.37 1dmo h LEU 69 Cb 1.17 0.08 -0.10 0.00 0.09 0.00 0.00 40.66 41.90 1dmo h LEU 69 CO -0.16 0.04 0.09 0.74 0.09 0.00 0.00 178.44 179.24 1dmo h THR 70 N -0.70 0.54 -0.81 0.22 2.02 -0.84 0.80 112.91 114.13 1dmo h THR 70 Ca -0.04 -0.07 0.03 0.00 0.77 0.00 0.00 66.41 67.10 1dmo h THR 70 Cb 0.48 0.32 -0.05 0.00 -1.74 0.00 0.00 68.15 67.16 1dmo h THR 70 CO 0.06 0.04 0.52 0.24 0.37 0.00 0.00 175.52 176.75 1dmo h MET 71 N 0.20 1.00 -0.04 6.66 2.86 -1.17 -2.53 114.93 121.92 1dmo h MET 71 Ca 0.35 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.93 1dmo h MET 71 Cb 0.57 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 32.00 1dmo h MET 71 CO -0.49 0.66 0.01 0.52 1.06 0.00 0.00 176.91 178.67 1dmo h MET 72 N 1.03 0.06 -0.92 1.72 2.07 -0.56 -0.84 114.93 117.48 1dmo h MET 72 Ca 0.32 -0.02 0.26 0.00 -2.07 0.00 0.00 59.70 58.20 1dmo h MET 72 Cb -0.02 -0.01 -0.15 0.00 -1.87 0.00 0.00 31.60 29.55 1dmo h MET 72 CO -0.10 0.28 0.26 0.00 1.07 0.00 0.00 176.91 178.42 1dmo h ALA 73 N 0.78 1.40 -0.11 6.32 0.00 -0.53 2.06 119.26 129.19 1dmo h ALA 73 Ca 0.01 0.24 -0.18 0.00 0.00 0.00 0.00 54.91 54.98 1dmo h ALA 73 Cb 0.25 0.34 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1dmo h ALA 73 CO 0.00 -0.53 -0.65 0.00 0.00 0.00 0.00 179.25 178.07 1dmo h ARG 74 N 0.17 0.63 0.00 0.00 3.08 -1.22 2.33 114.38 119.37 1dmo h ARG 74 Ca 0.60 -0.53 0.00 0.00 0.07 0.00 0.00 59.98 60.12 1dmo h ARG 74 Cb 1.28 0.12 0.00 0.00 0.08 0.00 0.00 29.97 31.45 1dmo h ARG 74 CO -0.70 1.15 0.00 1.63 -1.07 0.00 0.00 179.97 180.98 1dmo n LYS 75 N -4.10 0.20 0.00 0.04 4.76 0.16 -2.05 118.16 117.17 1dmo n LYS 75 Ca -0.08 0.14 0.00 0.00 -2.87 0.00 0.00 58.31 55.50 1dmo n LYS 75 Cb 0.68 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.37 1dmo n LYS 75 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 1dmo n MET 76 N -1.32 0.10 0.00 1.97 2.81 0.65 -4.65 117.12 116.69 1dmo n MET 76 Ca 0.07 -0.60 0.03 0.00 -1.81 0.00 0.00 57.70 55.39 1dmo n MET 76 Cb 0.14 -0.86 0.20 0.00 -0.71 0.00 0.00 33.22 32.00 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 -0.10 0.27 -3.06 0.03 4.81 0.78 -2.60 118.16 118.29 1dmo n LYS 77 Ca 0.00 0.00 -0.24 0.00 -0.87 0.00 0.00 58.31 57.20 1dmo n LYS 77 Cb 0.14 -1.39 -0.04 0.00 0.02 0.00 0.00 35.03 33.76 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 -0.89 3.12 -0.78 3.14 8.00 -1.26 -4.75 116.55 123.13 1dmo n ASP 78 Ca 0.05 -3.42 0.07 0.00 0.71 0.00 0.00 54.79 52.20 1dmo n ASP 78 Cb 0.02 -0.59 0.19 0.00 -0.02 0.00 0.00 41.12 40.73 1dmo n ASP 78 CO 0.00 0.00 0.00 0.41 -0.39 0.00 0.00 177.20 177.22 1dmo n THR 79 N 0.06 0.56 -3.08 -3.53 -1.04 -1.07 -4.78 114.28 101.39 1dmo n THR 79 Ca 0.29 -0.56 -0.44 0.00 -2.04 0.00 0.00 64.05 61.30 1dmo n THR 79 Cb 0.48 0.29 -0.06 0.00 -1.82 0.00 0.00 70.33 69.23 1dmo n THR 79 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1dmo s ASP 80 N -1.02 6.24 0.00 8.00 -1.08 -1.26 -4.67 116.67 122.88 1dmo s ASP 80 Ca 0.29 -0.87 0.00 0.00 -0.52 0.00 0.00 52.55 51.44 1dmo s ASP 80 Cb 0.15 -2.32 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1dmo s ASP 80 CO 0.20 -1.00 0.00 -1.20 0.52 0.00 0.00 175.17 173.68 1dmo n SER 81 N 6.50 0.00 -0.17 -0.34 7.64 -1.26 -4.89 113.62 121.10 1dmo n SER 81 Ca -0.05 0.00 0.15 0.00 1.01 0.00 0.00 58.87 59.98 1dmo n SER 81 Cb 0.45 0.00 0.49 0.00 -1.01 0.00 0.00 64.21 64.15 1dmo n SER 81 CO 0.00 0.00 0.00 1.05 -3.01 0.00 0.00 175.04 173.08 1dmo h GLU 82 N 0.00 0.43 -0.28 1.43 4.11 -1.96 -1.67 114.58 116.64 1dmo h GLU 82 Ca 0.00 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.40 1dmo h GLU 82 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1dmo h GLU 82 CO 0.00 0.28 0.17 0.93 0.07 0.00 0.00 179.01 180.46 1dmo h GLU 83 N 0.44 0.37 -0.41 1.06 5.08 -1.98 0.81 114.58 119.95 1dmo h GLU 83 Ca 0.37 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.71 1dmo h GLU 83 Cb 0.81 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 1dmo h GLU 83 CO -0.12 0.28 0.28 1.49 -1.00 0.00 0.00 179.01 179.93 1dmo h GLU 84 N 0.36 0.51 0.08 2.33 4.22 -1.68 -2.74 114.58 117.66 1dmo h GLU 84 Ca 0.10 -0.03 -0.00 0.00 0.08 0.00 0.00 59.36 59.50 1dmo h GLU 84 Cb -0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1dmo h GLU 84 CO -0.02 0.34 -0.04 0.82 -2.18 0.00 0.00 179.01 177.93 1dmo h ILE 85 N 0.53 1.16 -1.05 2.32 2.04 -1.12 -2.75 117.51 118.64 1dmo h ILE 85 Ca 0.16 -1.32 0.37 0.00 1.00 0.00 0.00 64.86 65.07 1dmo h ILE 85 Cb -0.01 1.96 -0.15 0.00 -0.74 0.00 0.00 36.82 37.87 1dmo h ILE 85 CO -0.04 0.30 0.61 -0.09 0.00 0.00 0.00 178.15 178.93 1dmo h ARG 86 N -0.76 0.19 -0.13 2.37 1.12 -0.58 0.59 114.38 117.18 1dmo h ARG 86 Ca -0.01 -0.01 -0.06 0.00 -1.11 0.00 0.00 59.98 58.79 1dmo h ARG 86 Cb 0.58 -0.04 -0.00 0.00 -0.01 0.00 0.00 29.97 30.50 1dmo h ARG 86 CO 0.02 0.12 -0.16 1.49 -3.11 0.00 0.00 179.97 178.33 1dmo h GLU 87 N 0.19 0.33 -1.22 0.20 4.81 -1.49 -2.73 114.58 114.67 1dmo h GLU 87 Ca 0.78 -0.19 0.37 0.00 -0.13 0.00 0.00 59.36 60.19 1dmo h GLU 87 Cb 1.98 0.01 -0.11 0.00 0.63 0.00 0.00 28.75 31.27 1dmo h GLU 87 CO -0.62 0.75 0.80 0.00 -0.73 0.00 0.00 179.01 179.21 1dmo h ALA 88 N 0.57 2.60 0.06 2.92 0.00 0.47 0.41 119.26 126.30 1dmo h ALA 88 Ca 0.02 0.08 -0.21 0.00 0.00 0.00 0.00 54.91 54.79 1dmo h ALA 88 Cb 0.71 0.13 0.02 0.00 0.00 0.00 0.00 17.79 18.64 1dmo h ALA 88 CO 0.04 -1.13 -0.87 0.74 0.00 0.00 0.00 179.25 178.03 1dmo h PHE 89 N 0.19 0.77 -1.17 0.00 0.04 -1.29 -3.21 116.94 112.27 1dmo h PHE 89 Ca 0.72 -0.46 0.33 0.00 2.80 0.00 0.00 57.97 61.36 1dmo h PHE 89 Cb 2.18 -0.07 -0.08 0.00 2.20 0.00 0.00 35.95 40.18 1dmo h PHE 89 CO -0.00 1.30 0.79 0.00 -0.60 0.00 0.00 178.31 179.80 1dmo h ARG 90 N 0.02 0.18 -0.92 1.51 3.08 0.12 0.58 114.38 118.95 1dmo h ARG 90 Ca -0.13 -0.01 0.14 0.00 0.07 0.00 0.00 59.98 60.05 1dmo h ARG 90 Cb 1.59 -0.04 -0.07 0.00 0.08 0.00 0.00 29.97 31.52 1dmo h ARG 90 CO 0.17 0.12 0.59 0.28 -1.07 0.00 0.00 179.97 180.06 1dmo h VAL 91 N 0.19 0.85 -0.54 2.04 2.07 -1.46 0.30 116.25 119.70 1dmo h VAL 91 Ca 0.63 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.75 1dmo h VAL 91 Cb 2.04 0.02 -0.08 0.00 -1.52 0.00 0.00 31.29 31.75 1dmo h VAL 91 CO -0.20 0.14 0.17 0.49 0.02 0.00 0.00 177.57 178.19 1dmo n PHE 92 N -4.58 1.82 -1.66 1.57 3.01 0.20 -4.43 117.46 113.38 1dmo n PHE 92 Ca 0.18 -0.88 -0.38 0.00 1.01 0.00 0.00 57.45 57.38 1dmo n PHE 92 Cb 0.45 -0.54 0.06 0.00 -0.01 0.00 0.00 39.48 39.43 1dmo n PHE 92 CO 0.00 0.00 0.00 -3.47 1.01 0.00 0.00 176.76 174.30 1dmo n ASP 93 N 0.04 7.61 -0.17 4.37 2.03 0.10 -4.70 116.55 125.84 1dmo n ASP 93 Ca 0.29 -3.82 -0.05 0.00 0.52 0.00 0.00 54.79 51.74 1dmo n ASP 93 Cb 1.11 -1.03 -0.04 0.00 -0.72 0.00 0.00 41.12 40.43 1dmo n ASP 93 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1dmo n LYS 94 N -0.70 -0.18 0.00 -0.67 5.02 -1.26 -4.13 118.16 116.24 1dmo n LYS 94 Ca 0.58 1.16 0.00 0.00 -2.02 0.00 0.00 58.31 58.03 1dmo n LYS 94 Cb 0.42 -1.72 0.00 0.00 -0.02 0.00 0.00 35.03 33.71 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 -3.91 0.00 -0.26 4.39 8.00 -1.26 -4.83 116.55 118.68 1dmo n ASP 95 Ca 0.01 -0.15 0.05 0.00 0.71 0.00 0.00 54.79 55.41 1dmo n ASP 95 Cb 0.11 0.27 0.15 0.00 -0.02 0.00 0.00 41.12 41.62 1dmo n ASP 95 CO 0.00 0.00 0.00 1.23 -0.39 0.00 0.00 177.20 178.04 1dmo h GLY 96 N 0.00 0.81 -0.63 0.44 0.00 -1.78 -3.45 103.07 98.46 1dmo h GLY 96 Ca 0.00 0.12 -0.20 0.00 0.00 0.00 0.00 47.33 47.25 1dmo h GLY 96 CO 0.00 -0.29 -0.20 -2.01 0.00 0.00 0.00 176.54 174.05 1dmo n ASN 97 N -5.36 -4.04 0.00 0.19 5.15 -1.26 -4.29 115.26 105.65 1dmo n ASN 97 Ca 0.13 0.20 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 1dmo n ASN 97 Cb 0.46 -2.56 0.00 0.00 -0.53 0.00 0.00 39.78 37.15 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1dmo n GLY 98 N -1.64 -0.22 3.34 8.20 0.00 -1.26 -5.15 105.19 108.46 1dmo n GLY 98 Ca -0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.51 0.25 1.61 1.51 -1.26 -3.91 117.35 115.04 1dmo s TYR 99 Ca 0.00 1.22 0.12 0.00 -1.01 0.00 0.00 57.07 57.40 1dmo s TYR 99 Cb 0.00 0.18 -0.05 0.00 -0.11 0.00 0.00 41.96 41.98 1dmo s TYR 99 CO 0.00 -0.25 -0.21 0.96 -1.11 0.00 0.00 175.55 174.94 1dmo s ILE 100 N 0.33 2.41 0.16 2.71 -4.36 0.29 -4.46 121.20 118.29 1dmo s ILE 100 Ca -0.01 -2.27 -0.30 0.00 -0.26 0.00 0.00 60.65 57.81 1dmo s ILE 100 Cb -0.04 -2.23 -0.08 0.00 1.25 0.00 0.00 42.46 41.36 1dmo s ILE 100 CO -0.01 -0.31 1.33 -0.44 0.24 0.00 0.00 174.94 175.76 1dmo s SER 101 N -3.21 6.88 0.61 4.36 0.01 -1.26 -0.24 113.70 120.84 1dmo s SER 101 Ca 0.27 2.36 0.34 0.00 1.31 0.00 0.00 55.95 60.22 1dmo s SER 101 Cb -0.06 -2.60 1.85 0.00 0.21 0.00 0.00 66.02 65.42 1dmo s SER 101 CO 0.13 -0.57 2.03 0.00 0.41 0.00 0.00 173.24 175.24 1dmo h ALA 102 N 5.95 1.15 0.14 1.44 0.00 -1.83 0.52 119.26 126.63 1dmo h ALA 102 Ca -0.44 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1dmo h ALA 102 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 1dmo h ALA 102 CO 0.81 -0.15 -0.07 0.00 0.00 0.00 0.00 179.25 179.84 1dmo h ALA 103 N 1.66 -0.19 -0.66 0.00 0.00 -1.93 -3.03 119.26 115.11 1dmo h ALA 103 Ca 0.00 -0.04 0.16 0.00 0.00 0.00 0.00 54.91 55.03 1dmo h ALA 103 Cb 0.32 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.15 1dmo h ALA 103 CO 0.00 -0.18 0.46 0.93 0.00 0.00 0.00 179.25 180.46 1dmo h GLU 104 N -0.99 0.18 0.07 0.00 5.08 -1.78 -0.15 114.58 116.99 1dmo h GLU 104 Ca -0.02 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.35 1dmo h GLU 104 Cb 0.14 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.31 1dmo h GLU 104 CO 0.03 0.12 -0.25 1.25 -1.00 0.00 0.00 179.01 179.16 1dmo h LEU 105 N 0.18 -0.73 -1.68 1.33 6.46 -0.95 0.38 115.31 120.31 1dmo h LEU 105 Ca 0.32 0.09 0.27 0.00 -0.12 0.00 0.00 57.88 58.44 1dmo h LEU 105 Cb 1.00 0.29 -0.06 0.00 -0.73 0.00 0.00 40.66 41.16 1dmo h LEU 105 CO -0.06 -0.33 0.68 -0.09 -0.62 0.00 0.00 178.44 178.02 1dmo h ARG 106 N -0.43 0.22 -0.42 1.25 2.43 -0.90 1.19 114.38 117.72 1dmo h ARG 106 Ca 0.04 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.09 1dmo h ARG 106 Cb 0.48 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.97 1dmo h ARG 106 CO -0.18 0.14 -0.18 1.25 -1.51 0.00 0.00 179.97 179.50 1dmo h HIS 107 N 0.22 0.90 0.00 2.20 2.76 -0.14 -2.22 115.15 118.88 1dmo h HIS 107 Ca 0.52 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.45 1dmo h HIS 107 Cb 1.63 -0.22 -0.01 0.00 1.55 0.00 0.00 27.41 30.36 1dmo h HIS 107 CO -0.00 0.92 -0.21 0.28 -1.30 0.00 0.00 177.93 177.62 1dmo h VAL 108 N 0.71 1.13 -0.31 5.26 2.07 0.36 -2.00 116.25 123.47 1dmo h VAL 108 Ca 0.11 -0.72 -0.18 0.00 0.82 0.00 0.00 66.70 66.73 1dmo h VAL 108 Cb 0.69 1.39 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1dmo h VAL 108 CO 0.05 0.20 -0.50 0.24 0.02 0.00 0.00 177.57 177.59 1dmo h MET 109 N 0.00 0.87 0.09 1.57 2.07 -0.65 -2.21 114.93 116.68 1dmo h MET 109 Ca -0.00 -0.52 -0.00 0.00 -2.07 0.00 0.00 59.70 57.10 1dmo h MET 109 Cb 0.37 0.05 0.00 0.00 -1.87 0.00 0.00 31.60 30.15 1dmo h MET 109 CO 0.03 1.16 -0.05 1.15 1.07 0.00 0.00 176.91 180.27 1dmo h THR 110 N 0.68 1.06 -0.04 2.22 2.02 -0.97 0.14 112.91 118.01 1dmo h THR 110 Ca 0.03 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.66 1dmo h THR 110 Cb 1.10 1.41 -0.00 0.00 -1.74 0.00 0.00 68.15 68.92 1dmo h THR 110 CO 0.11 0.14 0.03 -1.13 0.37 0.00 0.00 175.52 175.04 1dmo h ASN 111 N -0.38 0.00 0.00 4.18 -0.73 -1.42 -3.20 115.58 114.03 1dmo h ASN 111 Ca -0.01 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.16 1dmo h ASN 111 Cb 0.32 0.00 0.00 0.00 0.27 0.00 0.00 38.32 38.91 1dmo h ASN 111 CO 0.02 0.00 -0.00 0.25 -0.37 0.00 0.00 177.43 177.33 1dmo h LEU 112 N 0.00 0.00 -2.86 0.34 5.85 -1.02 -3.50 115.31 114.12 1dmo h LEU 112 Ca 0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1dmo h LEU 112 Cb 0.09 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.12 1dmo h LEU 112 CO -0.00 0.10 -0.03 0.61 -0.34 0.00 0.00 178.44 178.78 1dmo n GLY 113 N 1.95 -0.60 0.00 3.75 0.00 0.45 -5.08 105.19 105.67 1dmo n GLY 113 Ca -0.00 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.96 0.00 -1.53 1.61 2.13 -1.26 -5.13 120.64 115.50 1dmo n GLU 114 Ca 0.01 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.83 1dmo n GLU 114 Cb 0.38 0.00 0.00 0.00 0.27 0.00 0.00 31.44 32.09 1dmo n GLU 114 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1dmo n LYS 115 N -0.13 -3.58 -2.42 5.31 4.76 -1.26 -4.94 118.16 115.90 1dmo n LYS 115 Ca 0.00 2.72 -0.01 0.00 -2.87 0.00 0.00 58.31 58.14 1dmo n LYS 115 Cb 0.00 -2.77 -0.01 0.00 -1.84 0.00 0.00 35.03 30.41 1dmo n LYS 115 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1dmo n LEU 116 N 1.22 -6.43 0.00 -0.35 4.32 -1.26 -4.94 117.00 109.56 1dmo n LEU 116 Ca 0.00 2.71 0.00 0.00 -0.02 0.00 0.00 56.01 58.70 1dmo n LEU 116 Cb 0.00 -3.24 0.00 0.00 -1.62 0.00 0.00 43.42 38.56 1dmo n LEU 116 CO 0.00 -3.22 0.00 0.41 -1.22 0.00 0.00 177.39 173.36 1dmo n THR 117 N 1.84 0.00 0.00 -5.08 -1.04 -1.26 -4.37 114.28 104.37 1dmo n THR 117 Ca -0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.90 1dmo n THR 117 Cb 0.16 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.67 1dmo n THR 117 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 1dmo n ASP 118 N 0.00 0.00 -0.34 8.00 2.03 -1.26 -1.25 116.55 123.73 1dmo n ASP 118 Ca 0.00 0.59 0.20 0.00 0.52 0.00 0.00 54.79 56.10 1dmo n ASP 118 Cb 0.00 -0.50 0.43 0.00 -0.72 0.00 0.00 41.12 40.33 1dmo n ASP 118 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 1dmo h GLU 119 N 0.00 0.49 0.30 -0.67 4.81 -1.99 0.22 114.58 117.73 1dmo h GLU 119 Ca 0.00 -0.03 -0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1dmo h GLU 119 Cb 0.00 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 29.27 1dmo h GLU 119 CO 0.00 0.32 -0.14 0.93 -0.73 0.00 0.00 179.01 179.39 1dmo h GLU 120 N 0.50 -0.38 -0.53 1.92 3.07 -1.90 -0.40 114.58 116.86 1dmo h GLU 120 Ca 0.65 0.03 0.13 0.00 -0.50 0.00 0.00 59.36 59.67 1dmo h GLU 120 Cb 1.37 0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.34 1dmo h GLU 120 CO -0.46 -0.08 0.37 0.28 -1.40 0.00 0.00 179.01 177.73 1dmo h VAL 121 N -0.71 0.80 -0.04 3.13 2.07 0.37 0.17 116.25 122.04 1dmo h VAL 121 Ca -0.04 -0.05 -0.13 0.00 0.82 0.00 0.00 66.70 67.30 1dmo h VAL 121 Cb 0.49 0.64 0.01 0.00 -1.52 0.00 0.00 31.29 30.91 1dmo h VAL 121 CO 0.07 0.03 -0.50 0.44 0.02 0.00 0.00 177.57 177.63 1dmo h ASP 122 N 0.15 0.51 0.79 0.57 3.32 -0.42 0.77 116.42 122.10 1dmo h ASP 122 Ca 0.25 -0.71 -0.03 0.00 0.02 0.00 0.00 57.03 56.56 1dmo h ASP 122 Cb 0.80 -0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.19 1dmo h ASP 122 CO -0.03 1.14 -0.15 -0.08 -1.72 0.00 0.00 179.24 178.40 1dmo h GLU 123 N -0.08 0.00 0.09 3.56 4.57 0.02 -2.57 114.58 120.17 1dmo h GLU 123 Ca -0.05 0.00 -0.29 0.00 -1.18 0.00 0.00 59.36 57.84 1dmo h GLU 123 Cb 1.18 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.76 1dmo h GLU 123 CO 0.10 0.15 -1.53 1.98 -1.18 0.00 0.00 179.01 178.53 1dmo h MET 124 N 0.00 0.20 -0.33 1.92 4.05 -0.67 -3.35 114.93 116.75 1dmo h MET 124 Ca -0.00 -0.34 0.04 0.00 -0.28 0.00 0.00 59.70 59.12 1dmo h MET 124 Cb 0.58 0.13 -0.04 0.00 -0.80 0.00 0.00 31.60 31.47 1dmo h MET 124 CO 0.02 1.16 0.09 0.82 0.23 0.00 0.00 176.91 179.23 1dmo h ILE 125 N -0.36 0.88 0.00 1.77 2.04 -0.80 0.40 117.51 121.44 1dmo h ILE 125 Ca -0.34 -0.08 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1dmo h ILE 125 Cb 1.73 0.63 0.00 0.00 -0.74 0.00 0.00 36.82 38.45 1dmo h ILE 125 CO 0.01 0.04 0.15 0.54 0.00 0.00 0.00 178.15 178.89 1dmo n ARG 126 N -5.05 0.08 -1.65 2.37 5.12 -0.97 -0.48 116.66 116.08 1dmo n ARG 126 Ca 0.01 0.54 -0.05 0.00 -1.93 0.00 0.00 57.85 56.42 1dmo n ARG 126 Cb 0.13 -1.92 0.08 0.00 -1.16 0.00 0.00 32.46 29.59 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 -1.95 2.02 -1.20 5.56 1.02 0.13 -4.88 120.64 121.34 1dmo n GLU 127 Ca -0.01 -3.41 -0.28 0.00 -0.02 0.00 0.00 57.16 53.44 1dmo n GLU 127 Cb 0.17 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.95 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 -0.61 7.08 -3.05 0.62 0.00 0.37 -4.61 120.51 120.32 1dmo n ALA 128 Ca 0.23 -2.86 -0.15 0.00 0.00 0.00 0.00 53.44 50.66 1dmo n ALA 128 Cb 0.88 -2.93 -0.02 0.00 0.00 0.00 0.00 19.45 17.38 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 3.08 -2.19 -4.80 0.00 5.15 -1.26 -4.66 115.26 110.59 1dmo n ASN 129 Ca 0.64 -0.06 -0.34 0.00 -0.60 0.00 0.00 54.58 54.22 1dmo n ASN 129 Cb 0.51 -1.92 -0.03 0.00 -0.53 0.00 0.00 39.78 37.81 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 -2.52 3.79 0.00 -1.44 1.01 -1.26 -4.78 121.20 115.99 1dmo s ILE 130 Ca 0.24 1.12 0.00 0.00 0.00 0.00 0.00 60.65 62.01 1dmo s ILE 130 Cb -0.13 -3.45 0.00 0.00 0.01 0.00 0.00 42.46 38.88 1dmo s ILE 130 CO 0.29 -0.23 0.00 -0.67 0.00 0.00 0.00 174.94 174.33 1dmo n ASP 131 N -0.94 0.00 0.00 3.58 2.03 -1.26 -5.09 116.55 114.87 1dmo n ASP 131 Ca 0.09 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.40 1dmo n ASP 131 Cb 0.52 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.92 1dmo n ASP 131 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1dmo n GLY 132 N 0.00 -0.76 0.07 0.27 0.00 -1.26 -4.94 105.19 98.56 1dmo n GLY 132 Ca 0.00 -0.12 -0.05 0.00 0.00 0.00 0.00 46.02 45.86 1dmo n GLY 132 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1dmo h ASP 133 N 0.00 0.00 0.00 1.61 3.32 -2.02 -3.48 116.42 115.86 1dmo h ASP 133 Ca 0.00 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 56.99 1dmo h ASP 133 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1dmo h ASP 133 CO 0.00 0.73 0.00 0.61 -1.72 0.00 0.00 179.24 178.86 1dmo n GLY 134 N 1.65 0.00 0.00 2.75 0.00 -1.26 -5.15 105.19 103.18 1dmo n GLY 134 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1dmo n GLY 134 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1dmo n GLN 135 N 0.00 0.80 -3.69 1.61 6.02 -1.26 -4.37 117.38 116.49 1dmo n GLN 135 Ca 0.00 0.00 -0.13 0.00 -0.01 0.00 0.00 57.00 56.86 1dmo n GLN 135 Cb 0.00 0.00 -0.13 0.00 1.02 0.00 0.00 30.24 31.13 1dmo n GLN 135 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1dmo s VAL 136 N -0.14 -0.27 -1.10 5.09 1.01 0.67 -4.65 120.40 121.01 1dmo s VAL 136 Ca 0.00 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 61.96 1dmo s VAL 136 Cb 0.00 -0.45 -0.08 0.00 0.00 0.00 0.00 36.38 35.86 1dmo s VAL 136 CO 0.00 0.09 1.94 0.54 0.00 0.00 0.00 175.10 177.67 1dmo s ASN 137 N 1.96 5.03 0.36 3.32 2.20 -1.26 -0.55 114.94 126.00 1dmo s ASN 137 Ca -0.03 -1.36 0.18 0.00 -0.94 0.00 0.00 52.86 50.70 1dmo s ASN 137 Cb -0.11 -2.58 1.23 0.00 -2.00 0.00 0.00 41.25 37.79 1dmo s ASN 137 CO -0.09 -3.01 1.60 0.10 -2.94 0.00 0.00 177.10 172.75 1dmo h TYR 138 N 10.22 0.75 -0.42 1.54 -0.00 -1.89 0.80 116.97 127.98 1dmo h TYR 138 Ca 0.18 0.04 0.08 0.00 0.00 0.00 0.00 58.73 59.03 1dmo h TYR 138 Cb 0.96 -0.16 -0.07 0.00 0.00 0.00 0.00 36.73 37.46 1dmo h TYR 138 CO 1.21 -0.42 0.02 1.05 -0.00 0.00 0.00 178.16 180.03 1dmo h GLU 139 N 0.06 0.13 -0.35 0.10 4.11 -1.85 0.34 114.58 117.12 1dmo h GLU 139 Ca 0.80 -0.01 -0.07 0.00 0.07 0.00 0.00 59.36 60.15 1dmo h GLU 139 Cb 2.02 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 31.23 1dmo h GLU 139 CO -0.75 0.09 -0.09 0.93 0.07 0.00 0.00 179.01 179.25 1dmo h GLU 140 N 0.13 0.58 -0.40 1.06 4.39 0.20 -1.85 114.58 118.70 1dmo h GLU 140 Ca 0.21 -0.16 -0.04 0.00 0.34 0.00 0.00 59.36 59.70 1dmo h GLU 140 Cb 0.29 -0.06 -0.02 0.00 -0.10 0.00 0.00 28.75 28.85 1dmo h GLU 140 CO -0.33 0.67 0.07 0.35 -1.16 0.00 0.00 179.01 178.61 1dmo h PHE 141 N 0.54 0.61 -0.12 4.33 3.04 0.35 -0.11 116.94 125.59 1dmo h PHE 141 Ca 0.10 -0.05 -0.13 0.00 3.98 0.00 0.00 57.97 61.87 1dmo h PHE 141 Cb 0.48 -0.18 -0.01 0.00 2.56 0.00 0.00 35.95 38.79 1dmo h PHE 141 CO 0.02 0.55 -0.51 0.28 -2.02 0.00 0.00 178.31 176.63 1dmo h VAL 142 N 0.58 1.34 -0.01 1.41 2.07 0.31 0.02 116.25 121.98 1dmo h VAL 142 Ca 0.13 -1.76 -0.16 0.00 0.82 0.00 0.00 66.70 65.73 1dmo h VAL 142 Cb 0.27 1.82 -0.02 0.00 -1.52 0.00 0.00 31.29 31.84 1dmo h VAL 142 CO 0.00 0.53 -0.76 -0.61 0.02 0.00 0.00 177.57 176.75 1dmo h GLN 143 N 0.25 0.06 0.16 1.57 4.15 -0.56 -3.23 115.11 117.51 1dmo h GLN 143 Ca 0.01 -0.06 -0.29 0.00 0.77 0.00 0.00 58.65 59.08 1dmo h GLN 143 Cb 0.98 0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.70 1dmo h GLN 143 CO 0.08 0.79 -1.33 0.52 -1.93 0.00 0.00 178.83 176.95 1dmo h MET 144 N 0.04 0.33 0.00 1.69 2.86 -0.85 1.28 114.93 120.28 1dmo h MET 144 Ca -0.01 -0.57 0.00 0.00 -2.06 0.00 0.00 59.70 57.05 1dmo h MET 144 Cb 1.33 0.21 0.00 0.00 0.06 0.00 0.00 31.60 33.21 1dmo h MET 144 CO 0.10 1.26 0.00 -1.33 1.06 0.00 0.00 176.91 178.01 1dmo n MET 145 N -3.57 0.57 0.00 1.72 2.81 -0.02 -3.06 117.12 115.57 1dmo n MET 145 Ca -0.11 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1dmo n MET 145 Cb 1.05 -1.15 0.00 0.00 -0.71 0.00 0.00 33.22 32.41 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 -0.65 0.00 -2.29 2.03 -1.04 -1.20 -5.04 114.28 106.09 1dmo n THR 146 Ca 0.04 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.05 1dmo n THR 146 Cb 0.02 0.07 0.00 0.00 -1.82 0.00 0.00 70.33 68.60 1dmo n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1dmo n ALA 147 N 0.00 0.00 1.23 2.41 0.00 0.44 -5.08 120.51 119.52 1dmo n ALA 147 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 1dmo n ALA 147 Cb 0.00 0.00 0.30 0.00 0.00 0.00 0.00 19.45 19.75 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13