#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 1.87 -1.07 0.00 5.68 -1.26 -5.09 116.55 116.68 1dmo n ASP 2 Ca 0.00 -2.86 0.00 0.00 -0.50 0.00 0.00 54.79 51.43 1dmo n ASP 2 Cb 0.00 -0.52 0.00 0.00 -1.14 0.00 0.00 41.12 39.46 1dmo n ASP 2 CO 0.00 0.00 0.00 1.67 -1.33 0.00 0.00 177.20 177.54 1dmo n GLN 3 N -0.10 2.90 -1.53 0.11 -0.06 -1.26 -5.01 117.38 112.43 1dmo n GLN 3 Ca 0.14 0.00 -0.39 0.00 -2.00 0.00 0.00 57.00 54.75 1dmo n GLN 3 Cb 0.79 0.00 0.03 0.00 -4.06 0.00 0.00 30.24 27.00 1dmo n GLN 3 CO 0.00 0.00 0.00 1.28 -0.20 0.00 0.00 177.06 178.14 1dmo n LEU 4 N 0.00 1.71 -4.09 1.69 4.77 -1.26 -5.00 117.00 114.82 1dmo n LEU 4 Ca 0.00 0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 56.70 1dmo n LEU 4 Cb 0.00 -1.25 -0.11 0.00 -2.33 0.00 0.00 43.42 39.74 1dmo n LEU 4 CO 0.00 -2.49 -0.38 -0.89 -1.33 0.00 0.00 177.39 172.31 1dmo s THR 5 N -1.57 0.42 0.44 -5.08 2.01 -1.26 -4.74 115.64 105.86 1dmo s THR 5 Ca 0.69 -1.49 0.31 0.00 0.31 0.00 0.00 61.69 61.51 1dmo s THR 5 Cb -0.47 -1.10 0.50 0.00 0.01 0.00 0.00 72.50 71.43 1dmo s THR 5 CO 0.53 -0.71 1.62 1.05 -0.69 0.00 0.00 174.62 176.42 1dmo h GLU 6 N 3.72 0.08 -0.34 4.92 4.11 -1.99 0.86 114.58 125.93 1dmo h GLU 6 Ca -0.34 -0.00 -0.10 0.00 0.07 0.00 0.00 59.36 58.98 1dmo h GLU 6 Cb 1.18 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.40 1dmo h GLU 6 CO 0.54 0.05 -0.16 1.05 0.07 0.00 0.00 179.01 180.56 1dmo h GLU 7 N 0.08 0.71 -0.48 1.06 4.11 -2.00 -1.99 114.58 116.08 1dmo h GLU 7 Ca 0.83 -0.31 0.06 0.00 0.07 0.00 0.00 59.36 60.00 1dmo h GLU 7 Cb 2.63 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 31.83 1dmo h GLU 7 CO -0.40 0.91 0.32 1.96 0.07 0.00 0.00 179.01 181.87 1dmo h GLN 8 N 0.49 0.39 0.00 1.06 1.08 0.35 0.25 115.11 118.73 1dmo h GLN 8 Ca 0.08 -0.02 -0.12 0.00 -1.45 0.00 0.00 58.65 57.13 1dmo h GLN 8 Cb 0.70 -0.09 -0.02 0.00 -0.05 0.00 0.00 27.48 28.02 1dmo h GLN 8 CO 0.05 0.26 -0.57 0.82 -0.95 0.00 0.00 178.83 178.44 1dmo h ILE 9 N 0.41 1.33 -0.06 2.54 5.03 -1.01 -2.51 117.51 123.24 1dmo h ILE 9 Ca 0.21 -2.00 -0.01 0.00 -0.12 0.00 0.00 64.86 62.95 1dmo h ILE 9 Cb 0.30 2.10 -0.00 0.00 -3.03 0.00 0.00 36.82 36.19 1dmo h ILE 9 CO -0.05 0.56 0.01 0.00 -0.68 0.00 0.00 178.15 177.98 1dmo h ALA 10 N 1.43 0.07 -0.27 1.87 0.00 0.22 0.06 119.26 122.64 1dmo h ALA 10 Ca -0.01 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.73 1dmo h ALA 10 Cb 1.05 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1dmo h ALA 10 CO 0.07 -0.29 0.00 1.49 0.00 0.00 0.00 179.25 180.53 1dmo h GLU 11 N -0.15 0.40 0.44 0.00 4.81 -1.39 -1.70 114.58 116.99 1dmo h GLU 11 Ca 0.02 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1dmo h GLU 11 Cb 0.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.59 1dmo h GLU 11 CO 0.00 0.43 -0.21 0.74 -0.73 0.00 0.00 179.01 179.24 1dmo h PHE 12 N 0.39 -0.55 -0.81 0.92 -1.00 -1.10 -2.68 116.94 112.12 1dmo h PHE 12 Ca 0.09 -0.01 0.14 0.00 2.81 0.00 0.00 57.97 60.99 1dmo h PHE 12 Cb 0.26 0.18 -0.06 0.00 3.61 0.00 0.00 35.95 39.94 1dmo h PHE 12 CO 0.01 -0.23 0.53 -0.22 -1.61 0.00 0.00 178.31 176.78 1dmo h LYS 13 N -0.83 0.55 0.08 1.51 3.64 -0.78 0.06 116.57 120.80 1dmo h LYS 13 Ca -0.06 -0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1dmo h LYS 13 Cb 0.56 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.21 1dmo h LYS 13 CO 0.10 0.36 -0.33 1.49 -2.27 0.00 0.00 179.45 178.81 1dmo h GLU 14 N 0.57 -0.51 0.32 1.90 4.57 -1.03 0.75 114.58 121.15 1dmo h GLU 14 Ca 0.40 0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.60 1dmo h GLU 14 Cb 0.73 0.12 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1dmo h GLU 14 CO -0.15 -0.34 -0.18 0.00 -1.18 0.00 0.00 179.01 177.16 1dmo h ALA 15 N 0.14 -0.47 -0.85 2.92 0.00 -0.87 0.28 119.26 120.41 1dmo h ALA 15 Ca 0.04 -0.09 0.24 0.00 0.00 0.00 0.00 54.91 55.10 1dmo h ALA 15 Cb 0.58 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 1dmo h ALA 15 CO -0.22 -0.77 0.61 0.35 0.00 0.00 0.00 179.25 179.22 1dmo h PHE 16 N -0.47 0.01 0.00 0.00 3.57 -0.54 0.35 116.94 119.85 1dmo h PHE 16 Ca -0.04 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.46 1dmo h PHE 16 Cb 0.38 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.12 1dmo h PHE 16 CO -0.08 0.00 -1.03 0.45 -2.23 0.00 0.00 178.31 175.43 1dmo n SER 17 N -4.29 0.81 0.09 0.41 2.88 0.26 -3.84 113.62 109.94 1dmo n SER 17 Ca 0.17 0.30 -0.04 0.00 -1.33 0.00 0.00 58.87 57.97 1dmo n SER 17 Cb 0.91 0.50 0.15 0.00 -0.75 0.00 0.00 64.21 65.02 1dmo n SER 17 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 1dmo h LEU 18 N 0.00 0.26 -3.40 2.46 3.38 0.33 -2.92 115.31 115.42 1dmo h LEU 18 Ca 0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 1dmo h LEU 18 Cb 0.99 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.66 1dmo h LEU 18 CO 0.00 0.77 0.00 0.49 0.09 0.00 0.00 178.44 179.79 1dmo n PHE 19 N -3.91 1.96 -2.40 1.13 3.72 -0.97 -4.94 117.46 112.04 1dmo n PHE 19 Ca -0.02 -0.68 -0.42 0.00 -0.05 0.00 0.00 57.45 56.28 1dmo n PHE 19 Cb 0.58 -0.49 -0.03 0.00 -0.94 0.00 0.00 39.48 38.61 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 -0.73 7.04 0.00 4.37 -1.08 -1.11 -4.86 116.67 120.31 1dmo s ASP 20 Ca 0.51 1.99 0.00 0.00 -0.52 0.00 0.00 52.55 54.53 1dmo s ASP 20 Cb 0.39 -2.57 0.00 0.00 -1.46 0.00 0.00 42.92 39.28 1dmo s ASP 20 CO 0.15 -0.53 0.00 0.29 0.52 0.00 0.00 175.17 175.60 1dmo n LYS 21 N 4.38 1.98 0.09 4.34 4.76 -1.26 -4.76 118.16 127.69 1dmo n LYS 21 Ca 0.10 0.00 -0.06 0.00 -2.87 0.00 0.00 58.31 55.48 1dmo n LYS 21 Cb 0.46 -0.83 -0.00 0.00 -1.84 0.00 0.00 35.03 32.82 1dmo n LYS 21 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 1dmo h ASP 22 N 0.00 0.07 0.00 4.39 5.19 -1.89 -3.47 116.42 120.71 1dmo h ASP 22 Ca 0.00 -0.06 0.00 0.00 -0.62 0.00 0.00 57.03 56.35 1dmo h ASP 22 Cb 0.66 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.15 1dmo h ASP 22 CO 0.00 0.88 0.00 0.61 -3.12 0.00 0.00 179.24 177.61 1dmo n GLY 23 N 0.88 3.02 0.12 2.75 0.00 -1.26 -4.81 105.19 105.89 1dmo n GLY 23 Ca -0.01 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.09 1dmo n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1dmo n ASP 24 N 0.23 0.42 -0.03 1.61 5.68 -1.26 -4.77 116.55 118.43 1dmo n ASP 24 Ca 0.00 0.70 0.00 0.00 -0.50 0.00 0.00 54.79 54.99 1dmo n ASP 24 Cb 0.00 -0.75 0.00 0.00 -1.14 0.00 0.00 41.12 39.23 1dmo n ASP 24 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1dmo n GLY 25 N -1.30 1.34 3.28 6.12 0.00 -1.26 -5.11 105.19 108.25 1dmo n GLY 25 Ca -0.01 -0.08 -0.11 0.00 0.00 0.00 0.00 46.02 45.82 1dmo n GLY 25 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 26 N -2.06 0.08 0.42 2.61 -4.23 -1.26 -4.18 115.64 107.01 1dmo s THR 26 Ca 0.00 -0.68 0.07 0.00 -1.18 0.00 0.00 61.69 59.90 1dmo s THR 26 Cb 0.00 -1.07 -0.04 0.00 1.34 0.00 0.00 72.50 72.73 1dmo s THR 26 CO 0.00 -0.37 0.24 0.27 -0.54 0.00 0.00 174.62 174.22 1dmo s ILE 27 N -3.10 2.40 -0.09 2.99 -4.36 -0.42 -4.49 121.20 114.12 1dmo s ILE 27 Ca -0.01 -1.59 -0.06 0.00 -0.26 0.00 0.00 60.65 58.73 1dmo s ILE 27 Cb 0.01 -2.99 -0.04 0.00 1.25 0.00 0.00 42.46 40.69 1dmo s ILE 27 CO -0.07 0.00 0.14 0.42 0.24 0.00 0.00 174.94 175.68 1dmo s THR 28 N -2.57 5.44 0.47 8.37 -4.23 -1.26 -0.04 115.64 121.83 1dmo s THR 28 Ca 0.43 0.10 0.35 0.00 -1.18 0.00 0.00 61.69 61.39 1dmo s THR 28 Cb 0.02 -3.41 0.55 0.00 1.34 0.00 0.00 72.50 71.00 1dmo s THR 28 CO 0.24 0.55 1.62 0.71 -0.54 0.00 0.00 174.62 177.20 1dmo h THR 29 N 3.71 0.10 -0.31 3.99 1.35 -1.89 0.86 112.91 120.72 1dmo h THR 29 Ca -0.53 -0.02 -0.07 0.00 -0.55 0.00 0.00 66.41 65.24 1dmo h THR 29 Cb 1.22 0.05 -0.01 0.00 -1.73 0.00 0.00 68.15 67.67 1dmo h THR 29 CO 0.60 0.01 -0.06 0.07 -0.25 0.00 0.00 175.52 175.90 1dmo h LYS 30 N 0.05 0.59 0.00 4.72 2.10 -1.92 -2.39 116.57 119.72 1dmo h LYS 30 Ca 0.84 -0.22 0.00 0.00 -2.00 0.00 0.00 60.65 59.27 1dmo h LYS 30 Cb 2.86 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 34.15 1dmo h LYS 30 CO -0.30 0.77 0.00 0.39 -2.00 0.00 0.00 179.45 178.31 1dmo n GLU 31 N -4.48 0.04 0.08 0.07 1.02 0.28 -3.74 120.64 113.92 1dmo n GLU 31 Ca -0.03 0.11 -0.16 0.00 -0.02 0.00 0.00 57.16 57.07 1dmo n GLU 31 Cb 0.31 -1.50 -0.09 0.00 -0.02 0.00 0.00 31.44 30.14 1dmo n GLU 31 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1dmo h LEU 32 N 0.00 -1.57 -0.95 -4.62 5.85 -0.51 -0.72 115.31 112.80 1dmo h LEU 32 Ca 0.00 0.17 0.27 0.00 0.84 0.00 0.00 57.88 59.16 1dmo h LEU 32 Cb 0.36 0.59 -0.14 0.00 0.37 0.00 0.00 40.66 41.84 1dmo h LEU 32 CO 0.00 -0.53 0.45 1.23 -0.34 0.00 0.00 178.44 179.25 1dmo h GLY 33 N -0.69 1.77 0.94 3.75 0.00 -1.72 0.26 103.07 107.38 1dmo h GLY 33 Ca 0.01 -0.18 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1dmo h GLY 33 CO -0.32 -0.39 0.15 -0.84 0.00 0.00 0.00 176.54 175.14 1dmo h THR 34 N 0.34 1.14 -0.95 4.70 2.02 -1.39 -1.71 112.91 117.07 1dmo h THR 34 Ca 0.64 -0.40 0.01 0.00 0.77 0.00 0.00 66.41 67.43 1dmo h THR 34 Cb 1.36 0.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.58 1dmo h THR 34 CO -0.59 0.15 0.62 0.58 0.37 0.00 0.00 175.52 176.65 1dmo h VAL 35 N 0.35 1.24 -0.72 3.16 2.07 0.50 -2.06 116.25 120.80 1dmo h VAL 35 Ca 0.10 -0.45 -0.00 0.00 0.82 0.00 0.00 66.70 67.17 1dmo h VAL 35 Cb 0.10 -0.15 -0.03 0.00 -1.52 0.00 0.00 31.29 29.69 1dmo h VAL 35 CO -0.01 0.24 0.43 0.24 0.02 0.00 0.00 177.57 178.48 1dmo h MET 36 N 1.28 0.97 0.00 1.57 2.86 -0.76 -1.28 114.93 119.57 1dmo h MET 36 Ca 0.35 -0.09 -0.02 0.00 -2.06 0.00 0.00 59.70 57.88 1dmo h MET 36 Cb -0.14 -0.20 -0.00 0.00 0.06 0.00 0.00 31.60 31.31 1dmo h MET 36 CO -0.07 0.69 -0.11 0.00 1.06 0.00 0.00 176.91 178.47 1dmo h ARG 37 N 0.98 0.00 -0.14 1.72 3.08 -0.65 -2.18 114.38 117.18 1dmo h ARG 37 Ca 0.26 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.11 1dmo h ARG 37 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1dmo h ARG 37 CO -0.05 0.11 -0.70 1.03 -1.07 0.00 0.00 179.97 179.29 1dmo h SER 38 N 0.00 0.71 0.62 7.04 0.87 -0.67 -3.30 113.55 118.81 1dmo h SER 38 Ca -0.00 -0.44 -0.03 0.00 -1.23 0.00 0.00 61.79 60.09 1dmo h SER 38 Cb 0.23 -0.21 0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1dmo h SER 38 CO 0.01 1.20 -0.30 -0.07 -0.53 0.00 0.00 176.83 177.15 1dmo h LEU 39 N 0.43 -0.70 0.00 2.23 4.07 -0.91 -3.47 115.31 116.95 1dmo h LEU 39 Ca -0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.94 1dmo h LEU 39 Cb 1.29 0.18 0.00 0.00 1.08 0.00 0.00 40.66 43.22 1dmo h LEU 39 CO 0.13 -0.46 0.00 0.61 -1.08 0.00 0.00 178.44 177.64 1dmo n GLY 40 N -1.29 0.00 3.99 0.83 0.00 -1.14 -5.11 105.19 102.48 1dmo n GLY 40 Ca -0.13 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.69 1dmo n GLY 40 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1dmo s GLN 41 N 0.00 2.47 -0.42 1.61 -2.07 -1.20 -5.03 119.66 115.02 1dmo s GLN 41 Ca 0.00 -0.97 0.06 0.00 -1.82 0.00 0.00 55.36 52.63 1dmo s GLN 41 Cb 0.00 -2.53 0.21 0.00 -1.09 0.00 0.00 33.01 29.60 1dmo s GLN 41 CO 0.00 -0.73 0.44 0.09 -1.32 0.00 0.00 175.29 173.76 1dmo n ASN 42 N -2.31 0.10 -4.75 12.60 4.13 -1.26 -3.83 115.26 119.94 1dmo n ASN 42 Ca 0.09 -2.58 -0.35 0.00 1.68 0.00 0.00 54.58 53.42 1dmo n ASN 42 Cb 0.60 -0.60 0.04 0.00 -1.54 0.00 0.00 39.78 38.28 1dmo n ASN 42 CO 0.00 0.00 0.00 -2.16 0.28 0.00 0.00 177.26 175.38 1dmo s PRO 43 N -0.63 2.86 0.21 3.52 0.05 -1.26 -5.03 135.00 134.72 1dmo s PRO 43 Ca 0.34 1.70 -0.04 0.00 0.05 0.00 0.00 61.00 63.05 1dmo s PRO 43 Cb 0.10 -1.93 -0.05 0.00 0.05 0.00 0.00 34.50 32.67 1dmo s PRO 43 CO -0.15 -1.26 0.44 0.95 0.05 0.00 0.00 177.00 177.02 1dmo s THR 44 N -1.82 5.13 0.60 1.26 -4.23 -1.26 -4.89 115.64 110.42 1dmo s THR 44 Ca 0.74 -0.08 0.25 0.00 -1.18 0.00 0.00 61.69 61.43 1dmo s THR 44 Cb -0.27 -3.69 0.25 0.00 1.34 0.00 0.00 72.50 70.13 1dmo s THR 44 CO 0.36 -0.13 1.75 -0.33 -0.54 0.00 0.00 174.62 175.72 1dmo h GLU 45 N 2.22 0.00 0.00 3.99 4.39 -1.97 0.15 114.58 123.36 1dmo h GLU 45 Ca -0.47 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1dmo h GLU 45 Cb 1.18 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.83 1dmo h GLU 45 CO 0.69 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 178.54 1dmo n ALA 46 N -1.81 -0.02 -0.29 3.43 0.00 -1.26 -2.20 120.51 118.36 1dmo n ALA 46 Ca -0.02 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.50 1dmo n ALA 46 Cb 0.44 0.00 0.23 0.00 0.00 0.00 0.00 19.45 20.12 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 0.57 -0.45 0.00 5.08 -1.87 0.33 114.58 118.23 1dmo h GLU 47 Ca 0.00 -0.03 0.09 0.00 -1.00 0.00 0.00 59.36 58.41 1dmo h GLU 47 Cb 0.00 -0.13 -0.07 0.00 0.50 0.00 0.00 28.75 29.05 1dmo h GLU 47 CO 0.00 0.38 -0.01 1.25 -1.00 0.00 0.00 179.01 179.63 1dmo h LEU 48 N 0.59 -0.20 -1.26 1.33 5.85 -0.85 0.13 115.31 120.90 1dmo h LEU 48 Ca 0.46 0.11 -0.05 0.00 0.84 0.00 0.00 57.88 59.24 1dmo h LEU 48 Cb 0.68 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.89 1dmo h LEU 48 CO -0.38 -0.06 -0.05 -0.61 -0.34 0.00 0.00 178.44 176.99 1dmo h GLN 49 N 0.10 0.44 -0.07 1.25 4.15 -0.01 -1.76 115.11 119.21 1dmo h GLN 49 Ca 0.23 -0.10 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1dmo h GLN 49 Cb 0.33 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 27.95 1dmo h GLN 49 CO -0.38 0.51 -0.14 -0.44 -1.93 0.00 0.00 178.83 176.46 1dmo h ASP 50 N 0.42 0.11 1.00 -0.69 3.32 0.19 -1.87 116.42 118.90 1dmo h ASP 50 Ca 0.09 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.93 1dmo h ASP 50 Cb 0.36 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 39.86 1dmo h ASP 50 CO 0.02 0.26 -0.89 0.24 -1.72 0.00 0.00 179.24 177.14 1dmo h MET 51 N 0.11 0.00 0.49 3.56 2.86 -0.36 -3.30 114.93 118.30 1dmo h MET 51 Ca 0.02 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 1dmo h MET 51 Cb 0.31 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.98 1dmo h MET 51 CO 0.02 0.89 -0.24 0.82 1.06 0.00 0.00 176.91 179.46 1dmo h ILE 52 N 0.00 0.46 -1.28 -1.22 5.03 -0.76 -1.61 117.51 118.12 1dmo h ILE 52 Ca -0.01 -0.31 0.37 0.00 -0.12 0.00 0.00 64.86 64.79 1dmo h ILE 52 Cb 1.63 0.58 -0.07 0.00 -3.03 0.00 0.00 36.82 35.94 1dmo h ILE 52 CO 0.12 0.05 0.90 -1.13 -0.68 0.00 0.00 178.15 177.41 1dmo h ASN 53 N -0.87 0.09 0.08 1.72 -0.73 -1.55 1.84 115.58 116.16 1dmo h ASN 53 Ca -0.07 0.02 -0.00 0.00 1.87 0.00 0.00 56.30 58.12 1dmo h ASN 53 Cb 0.59 0.01 0.00 0.00 0.27 0.00 0.00 38.32 39.19 1dmo h ASN 53 CO 0.11 -0.00 -0.04 -0.08 -0.37 0.00 0.00 177.43 177.05 1dmo h GLU 54 N 0.07 -0.11 -0.72 6.67 4.57 -1.55 -3.31 114.58 120.20 1dmo h GLU 54 Ca 0.64 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 1dmo h GLU 54 Cb 2.38 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 31.00 1dmo h GLU 54 CO -0.08 0.15 0.00 1.33 -1.18 0.00 0.00 179.01 179.22 1dmo n VAL 55 N -4.82 0.92 -0.04 0.32 0.24 -0.57 -4.15 118.33 110.23 1dmo n VAL 55 Ca -0.04 -0.51 -0.11 0.00 -2.04 0.00 0.00 64.34 61.65 1dmo n VAL 55 Cb 0.15 -0.29 -0.09 0.00 -1.47 0.00 0.00 33.84 32.14 1dmo n VAL 55 CO 0.00 0.00 0.00 -0.78 -2.14 0.00 0.00 176.83 173.91 1dmo h ASP 56 N 1.57 -0.03 0.00 -1.34 3.58 0.27 -3.47 116.42 117.01 1dmo h ASP 56 Ca 0.00 -0.67 0.00 0.00 0.42 0.00 0.00 57.03 56.78 1dmo h ASP 56 Cb 0.93 0.01 0.00 0.00 1.72 0.00 0.00 39.33 41.98 1dmo h ASP 56 CO 0.15 0.78 0.00 0.00 -2.88 0.00 0.00 179.24 177.29 1dmo n ALA 57 N -2.62 0.00 -2.61 -0.78 0.00 -1.26 -4.06 120.51 109.18 1dmo n ALA 57 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.34 1dmo n ALA 57 Cb 0.34 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.80 1dmo n ALA 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1dmo n ASP 58 N 1.75 -2.45 0.01 0.00 2.03 -1.26 -4.90 116.55 111.74 1dmo n ASP 58 Ca 0.00 -0.06 0.00 0.00 0.52 0.00 0.00 54.79 55.25 1dmo n ASP 58 Cb 0.00 -0.97 0.00 0.00 -0.72 0.00 0.00 41.12 39.43 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 -0.66 -0.44 0.14 0.27 0.00 -1.26 -4.94 105.19 98.30 1dmo n GLY 59 Ca 0.00 0.06 -0.17 0.00 0.00 0.00 0.00 46.02 45.91 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 0.00 0.49 0.00 1.61 4.21 -1.91 -3.47 115.58 116.51 1dmo h ASN 60 Ca 0.00 -0.74 0.00 0.00 1.21 0.00 0.00 56.30 56.77 1dmo h ASN 60 Cb 0.00 -0.15 0.00 0.00 -1.12 0.00 0.00 38.32 37.05 1dmo h ASN 60 CO 0.00 1.16 0.00 0.61 -1.29 0.00 0.00 177.43 177.91 1dmo n GLY 61 N 1.00 0.83 3.20 2.83 0.00 -1.26 -4.98 105.19 106.81 1dmo n GLY 61 Ca -0.10 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.82 1dmo n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1dmo s THR 62 N -3.37 0.09 -0.07 2.61 -4.23 -1.26 -4.13 115.64 105.28 1dmo s THR 62 Ca 0.00 -1.77 0.04 0.00 -1.18 0.00 0.00 61.69 58.78 1dmo s THR 62 Cb 0.00 -1.99 -0.01 0.00 1.34 0.00 0.00 72.50 71.83 1dmo s THR 62 CO 0.00 -0.42 -0.20 -0.63 -0.54 0.00 0.00 174.62 172.83 1dmo s ILE 63 N -4.03 2.50 0.60 2.99 1.01 0.95 -4.84 121.20 120.39 1dmo s ILE 63 Ca 0.22 -0.90 -0.02 0.00 0.00 0.00 0.00 60.65 59.95 1dmo s ILE 63 Cb 0.06 -1.96 0.04 0.00 0.01 0.00 0.00 42.46 40.61 1dmo s ILE 63 CO 0.01 0.57 0.86 -1.81 0.00 0.00 0.00 174.94 174.57 1dmo s ASP 64 N -0.17 5.17 0.20 3.58 1.11 -1.26 -1.31 116.67 123.99 1dmo s ASP 64 Ca -0.02 0.23 -0.11 0.00 0.18 0.00 0.00 52.55 52.83 1dmo s ASP 64 Cb -0.14 -1.06 0.14 0.00 1.07 0.00 0.00 42.92 42.94 1dmo s ASP 64 CO 0.04 -1.27 1.87 0.15 1.18 0.00 0.00 175.17 177.13 1dmo h PHE 65 N -0.17 0.91 0.01 4.23 3.57 -1.98 -1.94 116.94 121.58 1dmo h PHE 65 Ca -0.43 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.09 1dmo h PHE 65 Cb 1.30 -0.31 -0.01 0.00 2.79 0.00 0.00 35.95 39.72 1dmo h PHE 65 CO 0.37 0.58 -0.04 -1.00 -2.23 0.00 0.00 178.31 175.99 1dmo h PRO 66 N 0.98 -0.07 -0.98 6.41 0.13 -1.95 -2.07 132.00 134.45 1dmo h PRO 66 Ca 0.26 0.00 0.07 0.00 -0.87 0.00 0.00 66.00 65.47 1dmo h PRO 66 Cb -0.11 0.02 -0.07 0.00 0.13 0.00 0.00 31.00 30.97 1dmo h PRO 66 CO -0.06 -0.05 0.63 0.93 -0.23 0.00 0.00 178.00 179.23 1dmo h GLU 67 N -0.07 1.08 -0.39 0.86 4.39 -1.92 0.67 114.58 119.19 1dmo h GLU 67 Ca 0.01 -0.07 0.03 0.00 0.34 0.00 0.00 59.36 59.67 1dmo h GLU 67 Cb 0.08 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.47 1dmo h GLU 67 CO -0.03 0.72 0.26 0.35 -1.16 0.00 0.00 179.01 179.15 1dmo h PHE 68 N 1.12 0.41 0.41 4.33 3.04 -0.70 -2.46 116.94 123.09 1dmo h PHE 68 Ca 0.43 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 62.37 1dmo h PHE 68 Cb 0.21 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 38.59 1dmo h PHE 68 CO -0.00 0.24 -0.20 -0.07 -2.02 0.00 0.00 178.31 176.26 1dmo h LEU 69 N 0.43 -0.47 -1.18 0.59 3.38 -0.25 -2.19 115.31 115.61 1dmo h LEU 69 Ca 0.16 -0.08 0.32 0.00 0.09 0.00 0.00 57.88 58.36 1dmo h LEU 69 Cb 0.10 0.12 -0.13 0.00 0.09 0.00 0.00 40.66 40.85 1dmo h LEU 69 CO -0.04 -0.19 0.66 0.74 0.09 0.00 0.00 178.44 179.71 1dmo h THR 70 N -0.76 0.35 -0.41 0.22 2.02 -1.18 1.06 112.91 114.22 1dmo h THR 70 Ca -0.06 -0.11 -0.11 0.00 0.77 0.00 0.00 66.41 66.91 1dmo h THR 70 Cb 0.53 -0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.92 1dmo h THR 70 CO 0.09 0.06 -0.17 0.24 0.37 0.00 0.00 175.52 176.12 1dmo h MET 71 N 0.33 0.78 -0.12 6.66 2.86 -1.11 -2.26 114.93 122.08 1dmo h MET 71 Ca 0.70 -0.29 -0.05 0.00 -2.06 0.00 0.00 59.70 58.00 1dmo h MET 71 Cb 1.75 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 33.36 1dmo h MET 71 CO -0.47 0.90 -0.12 0.52 1.06 0.00 0.00 176.91 178.80 1dmo h MET 72 N 0.70 0.30 -0.61 1.72 2.07 0.16 -2.96 114.93 116.31 1dmo h MET 72 Ca 0.11 -0.16 0.11 0.00 -2.07 0.00 0.00 59.70 57.69 1dmo h MET 72 Cb 0.67 0.01 -0.04 0.00 -1.87 0.00 0.00 31.60 30.37 1dmo h MET 72 CO 0.05 0.70 0.41 0.00 1.07 0.00 0.00 176.91 179.14 1dmo h ALA 73 N 0.59 2.11 -0.22 6.32 0.00 -0.70 0.25 119.26 127.60 1dmo h ALA 73 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1dmo h ALA 73 Cb 0.65 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.37 1dmo h ALA 73 CO 0.03 -0.25 0.14 0.00 0.00 0.00 0.00 179.25 179.17 1dmo h ARG 74 N 0.34 0.30 0.00 0.00 3.08 -1.24 2.26 114.38 119.13 1dmo h ARG 74 Ca 0.29 -0.02 -0.16 0.00 0.07 0.00 0.00 59.98 60.15 1dmo h ARG 74 Cb 0.66 -0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.62 1dmo h ARG 74 CO -0.07 0.21 -0.76 0.87 -1.07 0.00 0.00 179.97 179.15 1dmo h LYS 75 N 0.29 0.00 -0.00 0.04 1.79 -1.23 -2.98 116.57 114.49 1dmo h LYS 75 Ca 0.08 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1dmo h LYS 75 Cb -0.02 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.63 1dmo h LYS 75 CO -0.02 0.76 -0.32 -1.33 -1.08 0.00 0.00 179.45 177.47 1dmo n MET 76 N -3.52 0.24 -1.40 3.15 2.81 0.76 -4.99 117.12 114.16 1dmo n MET 76 Ca -0.00 -0.11 0.00 0.00 -1.81 0.00 0.00 57.70 55.77 1dmo n MET 76 Cb 0.76 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.78 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 -1.28 0.00 0.00 0.03 4.81 0.73 -4.95 118.16 117.50 1dmo n LYS 77 Ca 0.08 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 1dmo n LYS 77 Cb 0.33 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.41 1dmo n LYS 77 CO 0.00 0.00 0.00 -3.47 1.17 0.00 0.00 177.40 175.10 1dmo n ASP 78 N -0.04 -0.80 -0.86 3.14 2.03 0.88 -4.92 116.55 115.98 1dmo n ASP 78 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1dmo n ASP 78 Cb 0.00 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 1dmo n ASP 78 CO 0.00 0.00 0.00 1.07 -1.92 0.00 0.00 177.20 176.35 1dmo n THR 79 N -0.10 0.00 -1.97 5.18 5.66 -1.26 -4.67 114.28 117.11 1dmo n THR 79 Ca 0.00 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 60.75 1dmo n THR 79 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 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 -0.58 4.94 0.56 1.09 1.01 -1.26 -4.76 116.67 117.67 1dmo s ASP 80 Ca 0.00 -0.54 0.46 0.00 0.71 0.00 0.00 52.55 53.17 1dmo s ASP 80 Cb 0.00 -2.56 1.66 0.00 1.01 0.00 0.00 42.92 43.04 1dmo s ASP 80 CO 0.00 -2.92 1.64 -1.28 0.21 0.00 0.00 175.17 172.82 1dmo h SER 81 N 11.58 0.00 -1.32 0.27 0.87 -2.01 0.14 113.55 123.09 1dmo h SER 81 Ca 0.08 0.00 0.43 0.00 -1.23 0.00 0.00 61.79 61.07 1dmo h SER 81 Cb 1.01 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 62.84 1dmo h SER 81 CO 1.18 0.00 0.85 -0.33 -0.53 0.00 0.00 176.83 178.00 1dmo h GLU 82 N 0.00 0.09 0.77 2.24 5.08 -1.94 0.43 114.58 121.26 1dmo h GLU 82 Ca 0.81 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 59.13 1dmo h GLU 82 Cb 3.28 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 32.52 1dmo h GLU 82 CO -0.01 0.06 -0.37 0.93 -1.00 0.00 0.00 179.01 178.62 1dmo h GLU 83 N 0.10 -1.00 -1.11 2.33 4.39 -1.10 0.86 114.58 119.05 1dmo h GLU 83 Ca 0.81 0.07 0.35 0.00 0.34 0.00 0.00 59.36 60.93 1dmo h GLU 83 Cb 2.55 0.23 -0.13 0.00 -0.10 0.00 0.00 28.75 31.29 1dmo h GLU 83 CO -0.40 -0.67 0.68 0.93 -1.16 0.00 0.00 179.01 178.39 1dmo h GLU 84 N -1.09 0.25 0.45 2.33 5.08 -1.12 -0.54 114.58 119.95 1dmo h GLU 84 Ca -0.11 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.22 1dmo h GLU 84 Cb 0.80 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.99 1dmo h GLU 84 CO 0.17 0.17 -0.22 0.82 -1.00 0.00 0.00 179.01 178.95 1dmo h ILE 85 N 0.26 0.20 -1.50 3.13 2.04 -1.06 -2.63 117.51 117.95 1dmo h ILE 85 Ca 0.73 -0.58 0.44 0.00 1.00 0.00 0.00 64.86 66.45 1dmo h ILE 85 Cb 1.93 0.31 -0.06 0.00 -0.74 0.00 0.00 36.82 38.26 1dmo h ILE 85 CO -0.49 0.04 1.18 0.03 0.00 0.00 0.00 178.15 178.91 1dmo h ARG 86 N -1.09 0.00 0.02 2.37 3.08 0.75 0.65 114.38 120.15 1dmo h ARG 86 Ca -0.06 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 59.92 1dmo h ARG 86 Cb 0.53 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.59 1dmo h ARG 86 CO 0.10 0.00 -0.28 1.49 -1.07 0.00 0.00 179.97 180.21 1dmo h GLU 87 N 0.00 0.16 -1.11 0.04 4.81 -1.24 -2.52 114.58 114.73 1dmo h GLU 87 Ca 0.71 -0.19 0.35 0.00 -0.13 0.00 0.00 59.36 60.10 1dmo h GLU 87 Cb 3.06 0.06 -0.14 0.00 0.63 0.00 0.00 28.75 32.37 1dmo h GLU 87 CO -0.01 0.97 0.67 0.00 -0.73 0.00 0.00 179.01 179.92 1dmo h ALA 88 N 0.19 2.25 0.00 2.92 0.00 0.68 0.30 119.26 125.61 1dmo h ALA 88 Ca -0.04 0.15 -0.06 0.00 0.00 0.00 0.00 54.91 54.96 1dmo h ALA 88 Cb 1.08 0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.04 1dmo h ALA 88 CO 0.05 -0.85 -0.22 0.74 0.00 0.00 0.00 179.25 178.97 1dmo h PHE 89 N 0.24 0.22 -1.44 0.00 0.04 -1.52 -3.23 116.94 111.25 1dmo h PHE 89 Ca 0.74 -0.12 0.47 0.00 2.80 0.00 0.00 57.97 61.86 1dmo h PHE 89 Cb 1.96 -0.02 -0.12 0.00 2.20 0.00 0.00 35.95 39.96 1dmo h PHE 89 CO -0.01 0.93 0.95 -0.09 -0.60 0.00 0.00 178.31 179.50 1dmo h ARG 90 N -0.56 0.04 -0.86 1.51 2.43 0.03 0.58 114.38 117.55 1dmo h ARG 90 Ca -0.03 -0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.24 1dmo h ARG 90 Cb 1.00 -0.01 -0.08 0.00 -0.42 0.00 0.00 29.97 30.47 1dmo h ARG 90 CO 0.04 0.02 0.51 0.28 -1.51 0.00 0.00 179.97 179.31 1dmo h VAL 91 N 0.04 0.91 -0.01 0.20 2.07 -1.43 -0.24 116.25 117.79 1dmo h VAL 91 Ca 0.86 -0.29 0.00 0.00 0.82 0.00 0.00 66.70 68.09 1dmo h VAL 91 Cb 2.86 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 1dmo h VAL 91 CO -0.37 0.15 0.00 0.49 0.02 0.00 0.00 177.57 177.86 1dmo n PHE 92 N -4.72 0.00 -2.81 1.57 3.01 0.20 -4.85 117.46 109.86 1dmo n PHE 92 Ca 0.15 -0.00 -0.41 0.00 1.01 0.00 0.00 57.45 58.19 1dmo n PHE 92 Cb 0.29 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.73 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 -1.99 7.24 0.00 4.37 1.01 -0.10 -4.85 116.67 122.35 1dmo s ASP 93 Ca 0.40 1.50 0.00 0.00 0.71 0.00 0.00 52.55 55.16 1dmo s ASP 93 Cb 0.21 -2.52 0.00 0.00 1.01 0.00 0.00 42.92 41.62 1dmo s ASP 93 CO 0.34 -0.23 0.00 2.29 0.21 0.00 0.00 175.17 177.78 1dmo n LYS 94 N 3.96 0.00 0.04 8.23 2.85 -1.26 -4.83 118.16 127.15 1dmo n LYS 94 Ca 0.04 0.00 0.11 0.00 -1.05 0.00 0.00 58.31 57.41 1dmo n LYS 94 Cb 0.51 -0.30 0.06 0.00 -0.65 0.00 0.00 35.03 34.66 1dmo n LYS 94 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 177.40 173.88 1dmo n ASP 95 N 0.00 0.64 0.00 -5.58 -0.08 -1.26 -4.93 116.55 105.34 1dmo n ASP 95 Ca 0.00 -0.04 0.00 0.00 -1.51 0.00 0.00 54.79 53.24 1dmo n ASP 95 Cb 0.20 0.59 0.00 0.00 2.34 0.00 0.00 41.12 44.25 1dmo n ASP 95 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1dmo n GLY 96 N 1.34 0.82 0.00 0.27 0.00 -1.26 -4.97 105.19 101.38 1dmo n GLY 96 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1dmo n GLY 96 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1dmo n ASN 97 N 0.00 0.00 -1.32 1.61 5.03 -1.26 -5.05 115.26 114.27 1dmo n ASN 97 Ca 0.00 0.00 -0.03 0.00 0.87 0.00 0.00 54.58 55.42 1dmo n ASN 97 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 38.76 1dmo n ASN 97 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1dmo n GLY 98 N 5.00 0.35 3.18 7.41 0.00 -1.26 -5.11 105.19 114.77 1dmo n GLY 98 Ca 0.00 -0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.74 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 0.03 1.57 0.15 1.61 2.02 -1.26 -3.74 117.35 117.73 1dmo s TYR 99 Ca 0.02 -0.32 0.07 0.00 -0.37 0.00 0.00 57.07 56.47 1dmo s TYR 99 Cb 0.10 -0.98 -0.04 0.00 -0.40 0.00 0.00 41.96 40.63 1dmo s TYR 99 CO -0.03 0.01 -0.14 0.96 -1.57 0.00 0.00 175.55 174.78 1dmo s ILE 100 N -0.55 1.48 0.15 2.71 -4.36 -0.63 -4.84 121.20 115.16 1dmo s ILE 100 Ca 0.06 -1.93 -0.31 0.00 -0.26 0.00 0.00 60.65 58.22 1dmo s ILE 100 Cb -0.07 -1.76 -0.08 0.00 1.25 0.00 0.00 42.46 41.79 1dmo s ILE 100 CO 0.00 -0.50 1.35 -0.44 0.24 0.00 0.00 174.94 175.59 1dmo s SER 101 N -2.82 6.87 0.62 4.36 0.01 -1.26 -0.22 113.70 121.25 1dmo s SER 101 Ca 0.15 2.34 0.34 0.00 1.31 0.00 0.00 55.95 60.09 1dmo s SER 101 Cb -0.03 -2.60 1.94 0.00 0.21 0.00 0.00 66.02 65.55 1dmo s SER 101 CO 0.04 -0.59 2.22 0.00 0.41 0.00 0.00 173.24 175.32 1dmo h ALA 102 N 6.19 1.44 0.20 1.44 0.00 -1.11 -0.01 119.26 127.41 1dmo h ALA 102 Ca -0.43 -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 19.01 1dmo h ALA 102 CO 0.82 -0.11 -0.10 0.00 0.00 0.00 0.00 179.25 179.87 1dmo h ALA 103 N 1.88 -0.51 -0.92 0.00 0.00 -1.89 -2.42 119.26 115.41 1dmo h ALA 103 Ca 0.02 -0.06 0.22 0.00 0.00 0.00 0.00 54.91 55.09 1dmo h ALA 103 Cb 0.18 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 1dmo h ALA 103 CO -0.00 -0.49 0.61 0.93 0.00 0.00 0.00 179.25 180.31 1dmo h GLU 104 N -0.54 0.33 0.06 0.00 4.39 -1.89 0.68 114.58 117.62 1dmo h GLU 104 Ca -0.03 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 59.67 1dmo h GLU 104 Cb 0.21 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.76 1dmo h GLU 104 CO 0.05 0.22 -0.19 1.25 -1.16 0.00 0.00 179.01 179.17 1dmo h LEU 105 N 0.34 -0.55 -1.65 1.33 6.46 -0.98 0.30 115.31 120.54 1dmo h LEU 105 Ca 0.48 0.07 0.29 0.00 -0.12 0.00 0.00 57.88 58.60 1dmo h LEU 105 Cb 1.30 0.22 -0.07 0.00 -0.73 0.00 0.00 40.66 41.38 1dmo h LEU 105 CO -0.16 -0.27 0.73 -0.09 -0.62 0.00 0.00 178.44 178.03 1dmo h ARG 106 N -0.35 0.21 -0.05 1.25 2.43 -0.34 1.41 114.38 118.93 1dmo h ARG 106 Ca 0.04 -0.01 -0.18 0.00 -0.81 0.00 0.00 59.98 59.01 1dmo h ARG 106 Cb 0.39 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 1dmo h ARG 106 CO -0.14 0.14 -0.76 1.25 -1.51 0.00 0.00 179.97 178.95 1dmo h HIS 107 N 0.21 0.44 0.00 2.20 2.76 -0.35 -2.09 115.15 118.32 1dmo h HIS 107 Ca 0.56 -0.20 -0.04 0.00 -2.20 0.00 0.00 60.37 58.49 1dmo h HIS 107 Cb 1.79 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 30.68 1dmo h HIS 107 CO -0.00 0.96 -0.18 0.28 -1.30 0.00 0.00 177.93 177.69 1dmo h VAL 108 N 0.21 1.00 0.00 5.26 2.07 0.52 -0.95 116.25 124.36 1dmo h VAL 108 Ca -0.03 -0.63 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1dmo h VAL 108 Cb 1.33 1.35 -0.01 0.00 -1.52 0.00 0.00 31.29 32.45 1dmo h VAL 108 CO 0.12 0.17 -1.06 0.24 0.02 0.00 0.00 177.57 177.06 1dmo h MET 109 N 0.00 0.00 0.01 1.57 2.07 -1.12 -3.00 114.93 114.45 1dmo h MET 109 Ca -0.00 0.00 -0.22 0.00 -2.07 0.00 0.00 59.70 57.41 1dmo h MET 109 Cb 0.34 0.00 -0.03 0.00 -1.87 0.00 0.00 31.60 30.04 1dmo h MET 109 CO 0.02 0.08 -1.10 1.15 1.07 0.00 0.00 176.91 178.13 1dmo h THR 110 N 0.00 1.60 -0.53 2.22 2.02 -0.69 -3.28 112.91 114.25 1dmo h THR 110 Ca -0.04 -3.32 0.00 0.00 0.77 0.00 0.00 66.41 63.82 1dmo h THR 110 Cb 1.16 2.80 0.00 0.00 -1.74 0.00 0.00 68.15 70.37 1dmo h THR 110 CO 0.01 0.91 0.00 0.59 0.37 0.00 0.00 175.52 177.41 1dmo n ASN 111 N -3.32 3.53 0.18 4.18 5.03 -0.43 -4.43 115.26 120.00 1dmo n ASN 111 Ca -0.03 -1.97 -0.07 0.00 0.87 0.00 0.00 54.58 53.38 1dmo n ASN 111 Cb 0.96 -0.35 -0.03 0.00 -1.02 0.00 0.00 39.78 39.33 1dmo n ASN 111 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 1dmo h LEU 112 N 3.81 -0.40 -1.95 3.41 5.85 -1.58 -3.46 115.31 120.98 1dmo h LEU 112 Ca 0.00 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.71 1dmo h LEU 112 Cb 0.92 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.03 1dmo h LEU 112 CO 0.00 -0.18 -0.05 0.61 -0.34 0.00 0.00 178.44 178.48 1dmo n GLY 113 N -0.15 -0.40 3.28 3.75 0.00 -1.26 -4.93 105.19 105.48 1dmo n GLY 113 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1dmo n GLY 113 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1dmo n GLU 114 N -0.09 -0.26 0.00 1.61 1.02 -1.26 -4.64 120.64 117.02 1dmo n GLU 114 Ca -0.04 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1dmo n GLU 114 Cb 0.41 -3.51 0.00 0.00 -0.02 0.00 0.00 31.44 28.32 1dmo n GLU 114 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1dmo n LYS 115 N -0.83 0.64 -3.58 3.49 4.81 -1.26 -4.43 118.16 117.00 1dmo n LYS 115 Ca 0.00 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.24 1dmo n LYS 115 Cb 0.04 -1.00 -0.15 0.00 0.02 0.00 0.00 35.03 33.94 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 -0.99 0.03 0.35 3.14 1.43 -1.26 -5.13 118.68 116.24 1dmo s LEU 116 Ca 0.00 -0.16 -0.29 0.00 -1.03 0.00 0.00 54.13 52.65 1dmo s LEU 116 Cb 0.00 0.18 -0.11 0.00 0.03 0.00 0.00 46.19 46.29 1dmo s LEU 116 CO 0.00 -0.31 1.47 -0.89 0.23 0.00 0.00 176.35 176.85 1dmo s THR 117 N 2.26 2.21 0.18 5.49 2.01 -1.26 -4.85 115.64 121.69 1dmo s THR 117 Ca 0.04 0.21 -0.13 0.00 0.31 0.00 0.00 61.69 62.12 1dmo s THR 117 Cb -0.15 -3.13 0.08 0.00 0.01 0.00 0.00 72.50 69.32 1dmo s THR 117 CO -0.09 0.05 1.84 0.44 -0.69 0.00 0.00 174.62 176.16 1dmo h ASP 118 N 3.46 0.61 -0.55 3.53 3.32 -1.95 0.10 116.42 124.94 1dmo h ASP 118 Ca -0.50 -0.01 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1dmo h ASP 118 Cb 1.23 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 1dmo h ASP 118 CO 0.67 0.43 0.03 -0.33 -1.72 0.00 0.00 179.24 178.33 1dmo h GLU 119 N 0.73 0.99 -0.39 3.56 5.08 -2.00 -2.13 114.58 120.41 1dmo h GLU 119 Ca 0.22 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.26 1dmo h GLU 119 Cb -0.04 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 29.09 1dmo h GLU 119 CO -0.07 0.95 0.09 1.49 -1.00 0.00 0.00 179.01 180.47 1dmo h GLU 120 N 0.91 0.62 0.05 2.33 4.57 -1.78 -2.70 114.58 118.58 1dmo h GLU 120 Ca 0.17 -0.15 0.02 0.00 -1.18 0.00 0.00 59.36 58.23 1dmo h GLU 120 Cb 0.49 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.96 1dmo h GLU 120 CO 0.02 0.65 -0.22 0.28 -1.18 0.00 0.00 179.01 178.57 1dmo h VAL 121 N 0.48 0.50 -0.62 0.32 2.07 -0.54 -2.18 116.25 116.28 1dmo h VAL 121 Ca 0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.76 1dmo h VAL 121 Cb 0.31 0.50 -0.12 0.00 -1.52 0.00 0.00 31.29 30.46 1dmo h VAL 121 CO 0.00 0.00 -0.22 -0.78 0.02 0.00 0.00 177.57 176.59 1dmo h ASP 122 N -0.37 -0.77 -0.86 0.57 3.58 -1.26 0.91 116.42 118.22 1dmo h ASP 122 Ca 0.05 0.20 0.21 0.00 0.42 0.00 0.00 57.03 57.90 1dmo h ASP 122 Cb 0.43 0.45 -0.06 0.00 1.72 0.00 0.00 39.33 41.87 1dmo h ASP 122 CO -0.16 -0.25 0.58 -0.08 -2.88 0.00 0.00 179.24 176.45 1dmo h GLU 123 N -0.06 0.29 0.22 0.28 4.22 -1.08 -0.83 114.58 117.62 1dmo h GLU 123 Ca 0.29 -0.02 -0.31 0.00 0.08 0.00 0.00 59.36 59.40 1dmo h GLU 123 Cb 0.50 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.72 1dmo h GLU 123 CO -0.67 0.19 -1.40 1.98 -2.18 0.00 0.00 179.01 176.93 1dmo h MET 124 N 0.30 0.46 -0.24 1.92 4.05 0.11 -3.26 114.93 118.28 1dmo h MET 124 Ca 0.44 -0.79 0.07 0.00 -0.28 0.00 0.00 59.70 59.13 1dmo h MET 124 Cb 1.23 0.29 -0.01 0.00 -0.80 0.00 0.00 31.60 32.32 1dmo h MET 124 CO -0.13 1.38 0.21 0.82 0.23 0.00 0.00 176.91 179.42 1dmo h ILE 125 N 0.02 0.64 0.00 1.77 2.04 0.87 0.20 117.51 123.05 1dmo h ILE 125 Ca -0.25 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 1dmo h ILE 125 Cb 2.05 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.97 1dmo h ILE 125 CO 0.23 0.00 -0.00 -0.09 0.00 0.00 0.00 178.15 178.29 1dmo h ARG 126 N 0.00 0.00 -0.09 2.37 2.43 -1.36 -1.65 114.38 116.08 1dmo h ARG 126 Ca 0.11 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.25 1dmo h ARG 126 Cb 0.53 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.06 1dmo h ARG 126 CO -0.00 0.00 -0.26 0.39 -1.51 0.00 0.00 179.97 178.59 1dmo n GLU 127 N -3.44 1.66 0.00 0.20 -0.58 0.68 -4.74 120.64 114.42 1dmo n GLU 127 Ca -0.03 -3.07 0.00 0.00 -0.42 0.00 0.00 57.16 53.64 1dmo n GLU 127 Cb 0.08 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.30 1dmo n GLU 127 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1dmo n ALA 128 N -1.16 2.49 -3.70 0.62 0.00 -0.62 -4.78 120.51 113.37 1dmo n ALA 128 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.42 1dmo n ALA 128 Cb 0.76 -1.00 0.03 0.00 0.00 0.00 0.00 19.45 19.24 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 0.48 -2.22 -4.82 0.00 4.05 -1.26 -4.62 115.26 106.86 1dmo n ASN 129 Ca 0.00 -0.87 -0.30 0.00 0.45 0.00 0.00 54.58 53.86 1dmo n ASN 129 Cb 0.48 -3.89 0.08 0.00 1.23 0.00 0.00 39.78 37.69 1dmo n ASN 129 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 177.26 173.58 1dmo s ILE 130 N -3.65 3.15 0.00 -1.44 1.01 -1.26 -4.90 121.20 114.10 1dmo s ILE 130 Ca 0.12 0.37 0.00 0.00 0.00 0.00 0.00 60.65 61.15 1dmo s ILE 130 Cb -0.04 -3.17 0.00 0.00 0.01 0.00 0.00 42.46 39.26 1dmo s ILE 130 CO 0.83 -0.49 0.00 -0.90 0.00 0.00 0.00 174.94 174.38 1dmo n ASP 131 N -3.34 0.65 0.00 3.58 5.75 -1.26 -5.09 116.55 116.84 1dmo n ASP 131 Ca 0.07 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.85 1dmo n ASP 131 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 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 1.90 -0.59 0.53 6.12 0.00 -1.26 -4.94 105.19 106.94 1dmo n GLY 132 Ca 0.00 0.36 0.32 0.00 0.00 0.00 0.00 46.02 46.70 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 -2.03 -3.43 116.42 115.89 1dmo h ASP 133 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 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 0.00 0.00 0.61 -1.72 0.00 0.00 179.24 178.13 1dmo n GLY 134 N -1.71 1.16 3.91 2.75 0.00 -1.26 -5.00 105.19 105.04 1dmo n GLY 134 Ca 0.23 -0.20 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 1dmo n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1dmo s GLN 135 N -0.81 3.62 -0.04 1.61 -0.21 -1.26 -0.54 119.66 122.03 1dmo s GLN 135 Ca 0.00 0.03 -0.01 0.00 0.02 0.00 0.00 55.36 55.40 1dmo s GLN 135 Cb 0.00 -2.60 0.03 0.00 1.00 0.00 0.00 33.01 31.45 1dmo s GLN 135 CO 0.00 0.14 0.07 0.08 -2.12 0.00 0.00 175.29 173.46 1dmo s VAL 136 N -2.20 -0.06 -1.12 1.09 1.01 0.70 -4.70 120.40 115.12 1dmo s VAL 136 Ca 0.45 0.22 -0.23 0.00 0.00 0.00 0.00 61.98 62.42 1dmo s VAL 136 Cb -0.10 -0.14 -0.08 0.00 0.00 0.00 0.00 36.38 36.06 1dmo s VAL 136 CO 0.32 0.09 1.94 0.20 0.00 0.00 0.00 175.10 177.65 1dmo s ASN 137 N 1.20 5.03 0.54 3.32 0.01 -1.26 -1.60 114.94 122.18 1dmo s ASN 137 Ca -0.08 -1.42 0.45 0.00 -0.71 0.00 0.00 52.86 51.10 1dmo s ASN 137 Cb -0.13 -2.58 1.66 0.00 0.41 0.00 0.00 41.25 40.61 1dmo s ASN 137 CO -0.04 -3.03 1.64 0.10 -1.51 0.00 0.00 177.10 174.26 1dmo h TYR 138 N 10.13 0.06 -0.32 2.20 -0.00 -1.90 0.95 116.97 128.09 1dmo h TYR 138 Ca 0.18 0.00 -0.02 0.00 0.00 0.00 0.00 58.73 58.90 1dmo h TYR 138 Cb 0.96 -0.02 -0.01 0.00 0.00 0.00 0.00 36.73 37.66 1dmo h TYR 138 CO 1.21 -0.02 0.13 1.05 -0.00 0.00 0.00 178.16 180.52 1dmo h GLU 139 N 0.01 0.49 -0.59 0.10 4.11 -1.85 0.16 114.58 117.01 1dmo h GLU 139 Ca 0.83 -0.09 -0.08 0.00 0.07 0.00 0.00 59.36 60.10 1dmo h GLU 139 Cb 3.26 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 32.41 1dmo h GLU 139 CO -0.06 0.49 0.06 0.93 0.07 0.00 0.00 179.01 180.51 1dmo h GLU 140 N 0.38 0.97 -0.65 1.06 4.39 0.53 -2.52 114.58 118.74 1dmo h GLU 140 Ca 0.11 -0.26 0.00 0.00 0.34 0.00 0.00 59.36 59.55 1dmo h GLU 140 Cb 0.19 -0.11 -0.03 0.00 -0.10 0.00 0.00 28.75 28.69 1dmo h GLU 140 CO -0.01 0.92 0.41 0.35 -1.16 0.00 0.00 179.01 179.53 1dmo h PHE 141 N 0.91 0.83 -0.19 4.33 3.57 -0.78 0.41 116.94 126.02 1dmo h PHE 141 Ca 0.18 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.74 1dmo h PHE 141 Cb 0.45 -0.28 -0.01 0.00 2.79 0.00 0.00 35.95 38.90 1dmo h PHE 141 CO 0.03 0.54 0.30 0.28 -2.23 0.00 0.00 178.31 177.22 1dmo h VAL 142 N 0.88 0.27 0.12 1.41 2.07 -0.24 0.14 116.25 120.90 1dmo h VAL 142 Ca 0.24 0.00 -0.36 0.00 0.82 0.00 0.00 66.70 67.40 1dmo h VAL 142 Cb -0.07 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 30.43 1dmo h VAL 142 CO -0.05 0.00 -1.93 -0.61 0.02 0.00 0.00 177.57 175.00 1dmo h GLN 143 N 0.00 0.26 0.00 1.57 4.15 -0.90 -3.27 115.11 116.92 1dmo h GLN 143 Ca 0.09 -0.44 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1dmo h GLN 143 Cb 0.68 0.16 0.00 0.00 0.21 0.00 0.00 27.48 28.53 1dmo h GLN 143 CO -0.00 1.21 0.00 -1.33 -1.93 0.00 0.00 178.83 176.78 1dmo n MET 144 N -3.56 0.14 0.01 1.69 2.81 -0.21 -2.09 117.12 115.91 1dmo n MET 144 Ca -0.32 0.37 -0.07 0.00 -1.81 0.00 0.00 57.70 55.87 1dmo n MET 144 Cb 1.02 -1.76 -0.12 0.00 -0.71 0.00 0.00 33.22 31.65 1dmo n MET 144 CO 0.00 0.00 0.00 0.52 1.51 0.00 0.00 175.97 178.00 1dmo h MET 145 N 0.00 0.00 -0.96 0.03 2.86 -0.91 -3.44 114.93 112.51 1dmo h MET 145 Ca 0.00 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.63 1dmo h MET 145 Cb 0.35 0.00 -0.20 0.00 0.06 0.00 0.00 31.60 31.81 1dmo h MET 145 CO 0.00 0.61 -0.40 0.99 1.06 0.00 0.00 176.91 179.17 1dmo s THR 146 N -2.67 -0.96 -0.62 2.22 2.01 -0.89 -4.99 115.64 109.74 1dmo s THR 146 Ca -0.03 0.00 0.23 0.00 0.31 0.00 0.00 61.69 62.21 1dmo s THR 146 Cb 0.09 -0.40 -0.06 0.00 0.01 0.00 0.00 72.50 72.13 1dmo s THR 146 CO 0.82 0.00 1.12 0.00 -0.69 0.00 0.00 174.62 175.87 1dmo n ALA 147 N 4.81 3.24 0.84 7.40 0.00 -0.91 -4.66 120.51 131.23 1dmo n ALA 147 Ca 0.08 -0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.27 1dmo n ALA 147 Cb 0.56 -1.04 0.08 0.00 0.00 0.00 0.00 19.45 19.06 1dmo n ALA 147 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13