#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 3.49 0.00 0.03 -2.45 -1.26 -4.96 119.30 114.14 2k77 s MET 2 Ca 0.00 1.27 0.03 0.00 -1.25 0.00 0.00 55.69 55.74 2k77 s MET 2 Cb 0.00 -2.05 0.16 0.00 1.25 0.00 0.00 34.83 34.19 2k77 s MET 2 CO 0.00 -0.68 0.70 1.97 1.05 0.00 0.00 175.02 178.06 2k77 n PHE 3 N -1.65 0.00 1.88 4.11 1.16 -1.26 -4.22 117.46 117.48 2k77 n PHE 3 Ca 0.09 0.00 0.05 0.00 -1.87 0.00 0.00 57.45 55.72 2k77 n PHE 3 Cb 0.53 0.00 0.26 0.00 -1.61 0.00 0.00 39.48 38.66 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k77 n GLY 4 N 0.08 -0.81 3.79 4.97 0.00 -1.26 -3.91 105.19 108.05 2k77 n GLY 4 Ca 0.02 -0.10 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -1.96 3.81 0.13 1.61 0.52 -1.26 -4.90 118.95 116.91 2k77 s ARG 5 Ca 0.15 1.49 0.07 0.00 -0.52 0.00 0.00 55.73 56.92 2k77 s ARG 5 Cb 0.07 -2.22 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 2k77 s ARG 5 CO 0.12 -0.44 -0.06 -0.06 0.02 0.00 0.00 175.30 174.88 2k77 s PHE 6 N -1.82 2.79 0.95 -0.53 0.40 -1.26 -0.45 117.98 118.06 2k77 s PHE 6 Ca 0.65 -0.14 -0.12 0.00 -0.60 0.00 0.00 56.93 56.73 2k77 s PHE 6 Cb -0.20 -1.42 0.16 0.00 0.51 0.00 0.00 43.02 42.07 2k77 s PHE 6 CO 0.25 0.47 1.09 0.95 0.70 0.00 0.00 175.22 178.68 2k77 s THR 7 N -1.43 2.32 0.30 0.64 -4.23 -0.47 -4.81 115.64 107.96 2k77 s THR 7 Ca 0.24 0.10 0.00 0.00 -1.18 0.00 0.00 61.69 60.86 2k77 s THR 7 Cb -0.10 -2.61 0.18 0.00 1.34 0.00 0.00 72.50 71.31 2k77 s THR 7 CO 0.16 -0.14 1.87 -0.33 -0.54 0.00 0.00 174.62 175.64 2k77 h GLU 8 N -1.73 0.78 -0.27 3.99 5.08 -1.99 -0.90 114.58 119.55 2k77 h GLU 8 Ca -0.52 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 57.70 2k77 h GLU 8 Cb 1.31 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 30.42 2k77 h GLU 8 CO 0.57 0.68 0.15 0.00 -1.00 0.00 0.00 179.01 179.40 2k77 h ARG 9 N 0.77 0.38 -0.32 2.33 3.08 -1.96 -1.84 114.38 116.82 2k77 h ARG 9 Ca 0.18 -0.04 -0.15 0.00 0.07 0.00 0.00 59.98 60.03 2k77 h ARG 9 Cb 0.22 -0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 2k77 h ARG 9 CO -0.01 0.33 -0.39 0.00 -1.07 0.00 0.00 179.97 178.83 2k77 h ALA 10 N 1.02 0.47 -0.36 0.04 0.00 -1.80 -1.63 119.26 117.01 2k77 h ALA 10 Ca 0.10 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.54 2k77 h ALA 10 Cb 0.07 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 2k77 h ALA 10 CO -0.02 0.57 0.15 1.96 0.00 0.00 0.00 179.25 181.92 2k77 h GLN 11 N 0.60 0.50 -0.51 0.00 4.20 -1.20 -1.96 115.11 116.73 2k77 h GLN 11 Ca 0.04 -0.06 -0.10 0.00 0.06 0.00 0.00 58.65 58.59 2k77 h GLN 11 Cb 0.98 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.65 2k77 h GLN 11 CO 0.09 0.41 -0.07 -0.22 -0.67 0.00 0.00 178.83 178.37 2k77 h LYS 12 N 0.50 0.94 -0.35 1.46 1.63 -0.82 -0.98 116.57 118.95 2k77 h LYS 12 Ca 0.12 -0.34 -0.06 0.00 -0.85 0.00 0.00 60.65 59.53 2k77 h LYS 12 Cb 0.09 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.64 2k77 h LYS 12 CO -0.01 1.00 -0.03 -0.39 -3.45 0.00 0.00 179.45 176.56 2k77 h VAL 13 N 0.81 1.21 -0.05 2.00 -1.51 -0.85 -0.29 116.25 117.57 2k77 h VAL 13 Ca 0.14 -0.88 -0.17 0.00 -1.23 0.00 0.00 66.70 64.56 2k77 h VAL 13 Cb 0.61 0.98 -0.01 0.00 -2.13 0.00 0.00 31.29 30.75 2k77 h VAL 13 CO 0.04 0.30 -0.70 -0.07 -1.23 0.00 0.00 177.57 175.91 2k77 h LEU 14 N 0.53 0.31 -0.54 4.19 3.38 -1.24 0.82 115.31 122.76 2k77 h LEU 14 Ca 0.11 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.76 2k77 h LEU 14 Cb 0.39 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k77 h LEU 14 CO 0.02 0.91 -0.11 0.00 0.09 0.00 0.00 178.44 179.35 2k77 h ALA 15 N 1.08 0.74 0.00 1.53 0.00 -0.91 -3.05 119.26 118.65 2k77 h ALA 15 Ca -0.02 -0.35 -0.07 0.00 0.00 0.00 0.00 54.91 54.46 2k77 h ALA 15 Cb 1.25 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2k77 h ALA 15 CO 0.11 0.65 -0.35 -0.07 0.00 0.00 0.00 179.25 179.59 2k77 h LEU 16 N 0.90 0.00 -1.12 0.00 3.38 -0.93 -2.74 115.31 114.80 2k77 h LEU 16 Ca 0.14 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.07 2k77 h LEU 16 Cb 0.68 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 16 CO 0.05 0.35 0.17 0.00 0.09 0.00 0.00 178.44 179.10 2k77 h ALA 17 N 1.65 1.30 -0.30 1.53 0.00 -0.74 0.33 119.26 123.02 2k77 h ALA 17 Ca -0.00 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 17 Cb 0.90 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2k77 h ALA 17 CO 0.05 0.51 -0.09 0.37 0.00 0.00 0.00 179.25 180.08 2k77 h GLN 18 N 0.78 0.60 -0.74 0.00 4.15 -1.40 -0.96 115.11 117.53 2k77 h GLN 18 Ca 0.18 -0.24 -0.03 0.00 0.77 0.00 0.00 58.65 59.33 2k77 h GLN 18 Cb 0.22 -0.03 -0.03 0.00 0.21 0.00 0.00 27.48 27.84 2k77 h GLN 18 CO -0.01 0.80 0.35 1.49 -1.93 0.00 0.00 178.83 179.53 2k77 h GLU 19 N 0.36 1.07 -0.10 1.69 4.57 -1.20 -1.05 114.58 119.93 2k77 h GLU 19 Ca 0.08 -0.16 -0.17 0.00 -1.18 0.00 0.00 59.36 57.92 2k77 h GLU 19 Cb 0.58 -0.19 -0.01 0.00 -0.16 0.00 0.00 28.75 28.98 2k77 h GLU 19 CO 0.03 0.84 -0.66 0.93 -1.18 0.00 0.00 179.01 178.97 2k77 h GLU 20 N 1.04 0.41 -0.33 1.92 4.39 -0.95 0.24 114.58 121.31 2k77 h GLU 20 Ca 0.25 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.65 2k77 h GLU 20 Cb 0.12 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.81 2k77 h GLU 20 CO -0.03 0.93 0.20 0.00 -1.16 0.00 0.00 179.01 178.94 2k77 h ALA 21 N 1.00 0.42 -0.09 3.43 0.00 -0.99 -2.56 119.26 120.46 2k77 h ALA 21 Ca -0.02 -0.05 -0.11 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 21 Cb 1.21 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2k77 h ALA 21 CO 0.11 -0.08 -0.43 -0.07 0.00 0.00 0.00 179.25 178.78 2k77 h LEU 22 N 0.42 0.22 -1.00 0.00 3.38 -1.06 0.58 115.31 117.86 2k77 h LEU 22 Ca 0.12 -0.09 0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 22 Cb 0.01 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 2k77 h LEU 22 CO -0.02 0.63 0.65 -0.09 0.09 0.00 0.00 178.44 179.70 2k77 h ARG 23 N 0.17 1.24 -0.01 1.13 2.43 -0.85 -1.89 114.38 116.61 2k77 h ARG 23 Ca 0.01 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 2k77 h ARG 23 Cb 0.83 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.11 2k77 h ARG 23 CO 0.07 0.82 -0.05 1.28 -1.51 0.00 0.00 179.97 180.57 2k77 n LEU 24 N -4.44 0.67 -0.15 3.80 4.77 -0.97 -4.95 117.00 115.72 2k77 n LEU 24 Ca 0.13 -0.16 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 2k77 n LEU 24 Cb 0.08 -0.08 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 2k77 n LEU 24 CO 0.35 0.12 -0.02 0.61 -1.33 0.00 0.00 177.39 177.12 2k77 n GLY 25 N 1.17 0.49 3.76 -0.72 0.00 -0.60 -0.68 105.19 108.61 2k77 n GLY 25 Ca 0.18 -0.19 -0.39 0.00 0.00 0.00 0.00 46.02 45.62 2k77 n GLY 25 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 26 N -1.81 3.73 -1.05 1.61 3.76 0.10 -2.22 115.29 119.40 2k77 s HIS 26 Ca 0.00 1.79 0.14 0.00 -0.15 0.00 0.00 55.06 56.84 2k77 s HIS 26 Cb 0.00 -3.11 0.61 0.00 1.11 0.00 0.00 32.58 31.19 2k77 s HIS 26 CO 0.00 -0.07 1.48 0.09 -0.85 0.00 0.00 174.74 175.40 2k77 n ASN 27 N 1.12 4.18 -4.01 1.40 4.13 -1.23 -4.00 115.26 116.85 2k77 n ASN 27 Ca -0.01 -2.45 -0.10 0.00 1.68 0.00 0.00 54.58 53.71 2k77 n ASN 27 Cb 0.47 -0.55 -0.11 0.00 -1.54 0.00 0.00 39.78 38.05 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k77 s ASN 28 N -0.78 0.43 -0.34 6.41 2.20 -1.26 -2.49 114.94 119.10 2k77 s ASN 28 Ca 0.43 -0.57 -0.12 0.00 -0.94 0.00 0.00 52.86 51.65 2k77 s ASN 28 Cb 0.28 0.09 -0.01 0.00 -2.00 0.00 0.00 41.25 39.62 2k77 s ASN 28 CO 0.19 -0.31 0.23 -0.63 -2.94 0.00 0.00 177.10 173.64 2k77 s ILE 29 N -1.73 5.17 0.57 0.54 1.01 0.25 -4.85 121.20 122.17 2k77 s ILE 29 Ca -0.12 -0.28 0.05 0.00 0.00 0.00 0.00 60.65 60.31 2k77 s ILE 29 Cb -0.08 -3.67 0.10 0.00 0.01 0.00 0.00 42.46 38.82 2k77 s ILE 29 CO -0.02 -0.02 0.79 0.61 0.00 0.00 0.00 174.94 176.31 2k77 n GLY 30 N 5.09 1.48 0.36 6.18 0.00 -1.26 -1.57 105.19 115.47 2k77 n GLY 30 Ca -0.13 -2.15 0.06 0.00 0.00 0.00 0.00 46.02 43.80 2k77 n GLY 30 CO 0.00 0.00 0.00 -0.91 0.00 0.00 0.00 173.32 172.41 2k77 h THR 31 N -0.16 0.96 -0.51 2.61 1.35 -1.92 -1.79 112.91 113.45 2k77 h THR 31 Ca -0.27 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.35 2k77 h THR 31 Cb 1.12 -0.15 -0.10 0.00 -1.73 0.00 0.00 68.15 67.29 2k77 h THR 31 CO 0.34 0.19 -0.15 1.05 -0.25 0.00 0.00 175.52 176.70 2k77 h GLU 32 N 1.02 -0.03 0.00 4.72 9.09 -1.94 -0.16 114.58 127.29 2k77 h GLU 32 Ca 0.47 0.00 -0.14 0.00 0.05 0.00 0.00 59.36 59.74 2k77 h GLU 32 Cb 0.39 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.48 2k77 h GLU 32 CO -0.24 -0.02 -0.68 0.45 0.05 0.00 0.00 179.01 178.57 2k77 h HIS 33 N -0.03 0.00 -0.28 2.06 3.86 -1.71 0.03 115.15 119.09 2k77 h HIS 33 Ca 0.24 0.00 -0.10 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 33 Cb 0.40 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.86 2k77 h HIS 33 CO -0.45 0.68 -0.23 0.82 0.86 0.00 0.00 177.93 179.62 2k77 h ILE 34 N 0.00 1.30 -0.52 2.45 2.04 -1.05 0.13 117.51 121.87 2k77 h ILE 34 Ca -0.01 -1.38 -0.03 0.00 1.00 0.00 0.00 64.86 64.44 2k77 h ILE 34 Cb 1.21 1.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.85 2k77 h ILE 34 CO 0.09 0.44 0.19 0.25 0.00 0.00 0.00 178.15 179.12 2k77 h LEU 35 N 0.37 0.72 -0.81 1.44 5.85 -0.91 -1.07 115.31 120.92 2k77 h LEU 35 Ca 0.05 -0.18 -0.09 0.00 0.84 0.00 0.00 57.88 58.50 2k77 h LEU 35 Cb 0.78 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.60 2k77 h LEU 35 CO 0.06 0.71 -0.07 0.25 -0.34 0.00 0.00 178.44 179.05 2k77 h LEU 36 N 0.70 0.81 -1.11 2.25 5.85 -0.97 -2.13 115.31 120.71 2k77 h LEU 36 Ca 0.17 -0.23 -0.01 0.00 0.84 0.00 0.00 57.88 58.65 2k77 h LEU 36 Cb 0.22 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 2k77 h LEU 36 CO -0.01 0.92 0.42 1.23 -0.34 0.00 0.00 178.44 180.66 2k77 h GLY 37 N 0.98 1.11 1.00 3.75 0.00 -0.55 0.23 103.07 109.59 2k77 h GLY 37 Ca 0.13 -0.49 -0.01 0.00 0.00 0.00 0.00 47.33 46.97 2k77 h GLY 37 CO 0.03 0.47 -0.08 1.41 0.00 0.00 0.00 176.54 178.37 2k77 h LEU 38 N 1.05 -0.19 -0.88 3.11 3.38 -0.69 -1.31 115.31 119.78 2k77 h LEU 38 Ca 0.27 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.20 2k77 h LEU 38 Cb 0.01 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 2k77 h LEU 38 CO -0.04 -0.14 -0.21 -0.37 0.09 0.00 0.00 178.44 177.77 2k77 h VAL 39 N -0.23 0.47 0.00 1.22 -1.51 -1.29 -0.48 116.25 114.44 2k77 h VAL 39 Ca -0.02 -1.19 -0.09 0.00 -1.23 0.00 0.00 66.70 64.16 2k77 h VAL 39 Cb 0.18 1.85 -0.01 0.00 -2.13 0.00 0.00 31.29 31.18 2k77 h VAL 39 CO 0.04 0.21 -0.43 -0.09 -1.23 0.00 0.00 177.57 176.07 2k77 h ARG 40 N 0.00 0.00 -0.00 5.19 9.65 -0.81 -3.06 114.38 125.35 2k77 h ARG 40 Ca -0.00 0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.86 2k77 h ARG 40 Cb 0.84 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.42 2k77 h ARG 40 CO 0.03 0.43 -0.08 1.49 2.80 0.00 0.00 179.97 184.64 2k77 h GLU 41 N 0.00 0.05 0.00 0.20 4.22 -0.95 -3.48 114.58 114.62 2k77 h GLU 41 Ca -0.00 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.38 2k77 h GLU 41 Cb 0.82 0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2k77 h GLU 41 CO 0.06 0.83 0.00 0.41 -2.18 0.00 0.00 179.01 178.13 2k77 n GLY 42 N 1.05 1.89 0.00 1.92 0.00 -0.21 -4.74 105.19 105.11 2k77 n GLY 42 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 2k77 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -2.00 1.04 -0.76 1.61 1.02 -1.26 -4.47 120.64 115.82 2k77 n GLU 43 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2k77 n GLU 43 Cb 0.00 -0.91 0.18 0.00 -0.02 0.00 0.00 31.44 30.69 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 44 N -1.71 1.63 0.22 0.62 0.00 -1.26 -4.63 107.32 102.19 2k77 s GLY 44 Ca 0.00 0.26 -0.07 0.00 0.00 0.00 0.00 44.72 44.91 2k77 s GLY 44 CO 0.00 0.77 1.81 -2.22 0.00 0.00 0.00 173.10 173.46 2k77 h ILE 45 N -2.01 0.93 -0.48 0.90 1.08 -1.95 -0.26 117.51 115.72 2k77 h ILE 45 Ca -0.50 -0.24 -0.05 0.00 -0.39 0.00 0.00 64.86 63.68 2k77 h ILE 45 Cb 1.29 0.16 -0.02 0.00 -3.07 0.00 0.00 36.82 35.18 2k77 h ILE 45 CO 0.47 0.13 0.10 0.00 -0.69 0.00 0.00 178.15 178.16 2k77 h ALA 46 N 1.39 0.64 -0.47 1.87 0.00 -1.90 0.71 119.26 121.50 2k77 h ALA 46 Ca 0.34 -0.22 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 46 Cb 0.26 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k77 h ALA 46 CO -0.21 0.34 -0.04 0.00 0.00 0.00 0.00 179.25 179.33 2k77 h ALA 47 N 0.98 1.04 -0.34 0.00 0.00 -1.60 0.08 119.26 119.42 2k77 h ALA 47 Ca 0.15 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 47 Cb 0.35 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 2k77 h ALA 47 CO 0.00 0.59 -0.23 -0.22 0.00 0.00 0.00 179.25 179.40 2k77 h LYS 48 N 0.74 0.65 -0.49 0.00 3.64 -0.94 -1.84 116.57 118.34 2k77 h LYS 48 Ca 0.14 -0.25 -0.10 0.00 -1.27 0.00 0.00 60.65 59.17 2k77 h LYS 48 Cb 0.51 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2k77 h LYS 48 CO 0.03 0.83 -0.08 0.00 -2.27 0.00 0.00 179.45 177.96 2k77 h ALA 49 N 1.18 0.66 -0.30 5.00 0.00 -0.45 0.52 119.26 125.88 2k77 h ALA 49 Ca 0.08 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 49 Cb 0.70 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 49 CO 0.05 0.54 0.16 -0.07 0.00 0.00 0.00 179.25 179.94 2k77 h LEU 50 N 0.76 0.26 -0.89 0.00 3.38 -0.90 -1.75 115.31 116.18 2k77 h LEU 50 Ca 0.13 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 50 Cb 0.62 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 50 CO 0.04 0.19 -0.37 1.56 0.09 0.00 0.00 178.44 179.95 2k77 h GLN 51 N 0.34 0.37 -0.23 1.13 4.20 -1.23 -2.43 115.11 117.26 2k77 h GLN 51 Ca 0.12 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb 0.01 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 2k77 h GLN 51 CO -0.06 0.69 -0.12 0.00 -0.67 0.00 0.00 178.83 178.66 2k77 h ALA 52 N 1.30 1.38 0.00 3.87 0.00 -0.68 -1.78 119.26 123.35 2k77 h ALA 52 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 52 Cb 0.79 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.47 2k77 h ALA 52 CO 0.06 0.43 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2k77 n LEU 53 N -4.24 0.00 0.00 0.00 4.77 -0.68 -4.87 117.00 111.98 2k77 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 53 Cb 0.29 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 2k77 n LEU 53 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.32 0.72 2.74 -0.72 0.00 -0.67 -5.01 105.19 102.57 2k77 n GLY 54 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 2k77 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k77 n LEU 55 N 0.00 0.00 -3.44 0.99 4.77 -0.94 -5.00 117.00 113.38 2k77 n LEU 55 Ca 0.00 -1.17 -0.11 0.00 -0.03 0.00 0.00 56.01 54.70 2k77 n LEU 55 Cb 0.00 -0.64 -0.02 0.00 -2.33 0.00 0.00 43.42 40.43 2k77 n LEU 55 CO 0.00 -1.08 0.47 -0.83 -1.33 0.00 0.00 177.39 174.63 2k77 s GLY 56 N -4.84 -0.58 0.21 -0.72 0.00 -1.26 -4.36 107.32 95.77 2k77 s GLY 56 Ca 0.52 0.63 -0.10 0.00 0.00 0.00 0.00 44.72 45.77 2k77 s GLY 56 CO 0.36 0.21 1.86 1.48 0.00 0.00 0.00 173.10 177.01 2k77 h SER 57 N 2.01 0.78 -0.60 1.64 4.64 -1.98 -1.97 113.55 118.07 2k77 h SER 57 Ca -0.31 -0.01 -0.08 0.00 -0.47 0.00 0.00 61.79 60.93 2k77 h SER 57 Cb 1.29 -0.17 -0.02 0.00 -0.31 0.00 0.00 62.40 63.18 2k77 h SER 57 CO 0.36 0.54 0.08 -0.08 -0.87 0.00 0.00 176.83 176.86 2k77 h GLU 58 N 0.92 1.03 -0.21 4.77 4.81 -1.98 -0.31 114.58 123.61 2k77 h GLU 58 Ca 0.29 -0.28 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 2k77 h GLU 58 Cb -0.01 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.24 2k77 h GLU 58 CO -0.10 0.96 -0.05 0.87 -0.73 0.00 0.00 179.01 179.96 2k77 h LYS 59 N 0.96 0.40 -0.37 1.92 1.57 -1.87 -0.29 116.57 118.89 2k77 h LYS 59 Ca 0.19 -0.16 -0.10 0.00 -1.87 0.00 0.00 60.65 58.72 2k77 h LYS 59 Cb 0.45 -0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 2k77 h LYS 59 CO 0.02 0.65 -0.14 0.82 -0.57 0.00 0.00 179.45 180.22 2k77 h ILE 60 N 0.13 1.28 -0.61 1.86 2.04 -1.36 -2.19 117.51 118.66 2k77 h ILE 60 Ca 0.05 -1.25 -0.00 0.00 1.00 0.00 0.00 64.86 64.66 2k77 h ILE 60 Cb 0.51 1.32 -0.03 0.00 -0.74 0.00 0.00 36.82 37.87 2k77 h ILE 60 CO 0.02 0.41 0.37 -0.61 0.00 0.00 0.00 178.15 178.35 2k77 h GLN 61 N 0.54 0.82 -0.19 2.37 4.15 -1.01 -0.65 115.11 121.14 2k77 h GLN 61 Ca 0.09 -0.07 -0.00 0.00 0.77 0.00 0.00 58.65 59.44 2k77 h GLN 61 Cb 0.68 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.19 2k77 h GLN 61 CO 0.05 0.58 0.12 -0.22 -1.93 0.00 0.00 178.83 177.42 2k77 h LYS 62 N 0.82 0.25 -0.26 1.69 3.64 -0.98 -1.01 116.57 120.73 2k77 h LYS 62 Ca 0.22 -0.02 -0.10 0.00 -1.27 0.00 0.00 60.65 59.48 2k77 h LYS 62 Cb -0.04 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.72 2k77 h LYS 62 CO -0.04 0.20 -0.25 0.93 -2.27 0.00 0.00 179.45 178.02 2k77 h GLU 63 N 0.23 0.49 0.59 1.90 4.39 -1.15 0.62 114.58 121.65 2k77 h GLU 63 Ca 0.07 -0.18 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 63 Cb 0.01 -0.03 0.01 0.00 -0.10 0.00 0.00 28.75 28.63 2k77 h GLU 63 CO -0.01 0.70 -0.29 0.28 -1.16 0.00 0.00 179.01 178.53 2k77 h VAL 64 N 0.43 0.40 0.00 3.13 2.07 -1.01 -3.05 116.25 118.22 2k77 h VAL 64 Ca 0.06 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2k77 h VAL 64 Cb 0.66 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.86 2k77 h VAL 64 CO 0.05 0.01 -0.18 -0.33 0.02 0.00 0.00 177.57 177.14 2k77 h GLU 65 N -0.85 0.00 0.00 1.57 5.08 -0.99 -1.23 114.58 118.15 2k77 h GLU 65 Ca -0.08 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 2k77 h GLU 65 Cb 0.63 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2k77 h GLU 65 CO 0.13 0.18 -0.11 0.77 -1.00 0.00 0.00 179.01 178.99 2k77 h SER 66 N 0.00 0.00 0.00 1.42 0.02 -0.88 -1.72 113.55 112.38 2k77 h SER 66 Ca -0.00 0.00 -0.34 0.00 -0.84 0.00 0.00 61.79 60.60 2k77 h SER 66 Cb 0.33 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.80 2k77 h SER 66 CO 0.02 0.11 -2.31 0.18 -1.14 0.00 0.00 176.83 173.69 2k77 n LEU 67 N -3.35 0.00 -0.00 5.07 4.77 -0.54 -4.72 117.00 118.22 2k77 n LEU 67 Ca -0.01 0.00 0.04 0.00 -0.03 0.00 0.00 56.01 56.02 2k77 n LEU 67 Cb 0.30 0.46 -0.06 0.00 -2.33 0.00 0.00 43.42 41.79 2k77 n LEU 67 CO 0.29 0.46 -0.44 2.30 -1.33 0.00 0.00 177.39 178.68 2k77 n ILE 68 N -2.70 0.00 -4.82 -0.08 -5.35 -0.72 -5.12 119.36 100.56 2k77 n ILE 68 Ca -0.31 -0.23 0.00 0.00 -0.27 0.00 0.00 62.75 61.94 2k77 n ILE 68 Cb 1.11 0.50 0.00 0.00 -1.74 0.00 0.00 39.64 39.52 2k77 n ILE 68 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2k77 n GLY 69 N 1.77 -0.06 3.19 3.28 0.00 -0.65 -5.00 105.19 107.72 2k77 n GLY 69 Ca -0.01 -0.97 -0.10 0.00 0.00 0.00 0.00 46.02 44.95 2k77 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k77 s ARG 70 N 0.00 0.97 0.00 1.61 1.70 -1.26 -4.92 118.95 117.04 2k77 s ARG 70 Ca 0.00 -1.37 0.00 0.00 -0.47 0.00 0.00 55.73 53.89 2k77 s ARG 70 Cb 0.00 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.65 2k77 s ARG 70 CO 0.00 -0.29 0.00 0.41 -1.08 0.00 0.00 175.30 174.34 2k77 n GLY 71 N -0.11 0.52 1.93 3.88 0.00 0.14 -4.98 105.19 106.57 2k77 n GLY 71 Ca -0.06 -0.86 -0.09 0.00 0.00 0.00 0.00 46.02 45.01 2k77 n GLY 71 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2k77 n GLN 72 N -2.76 1.70 -3.39 1.61 7.27 -1.23 -4.93 117.38 115.65 2k77 n GLN 72 Ca 0.00 -0.76 -0.38 0.00 0.07 0.00 0.00 57.00 55.93 2k77 n GLN 72 Cb 0.01 -1.79 -0.07 0.00 2.41 0.00 0.00 30.24 30.80 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 2k77 s GLU 73 N 0.92 4.27 0.00 3.69 2.12 -0.94 -3.49 118.70 125.26 2k77 s GLU 73 Ca 0.51 0.28 0.00 0.00 0.36 0.00 0.00 54.97 56.12 2k77 s GLU 73 Cb 0.24 -3.47 0.00 0.00 0.26 0.00 0.00 34.13 31.17 2k77 s GLU 73 CO 0.00 0.11 0.00 -1.33 -0.54 0.00 0.00 175.26 173.50 2k77 n MET 74 N 3.92 3.38 -0.98 4.30 2.81 -1.26 -5.06 117.12 124.24 2k77 n MET 74 Ca -0.09 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.80 2k77 n MET 74 Cb 0.51 -0.36 0.00 0.00 -0.71 0.00 0.00 33.22 32.66 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 n SER 75 N -0.19 0.00 -0.00 7.83 2.88 -1.26 -5.07 113.62 117.80 2k77 n SER 75 Ca 0.00 -0.79 0.00 0.00 -1.33 0.00 0.00 58.87 56.75 2k77 n SER 75 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k77 n GLN 76 N 0.00 2.65 -4.32 -1.46 1.13 -1.26 -4.92 117.38 109.21 2k77 n GLN 76 Ca 0.00 -1.42 -0.27 0.00 -1.94 0.00 0.00 57.00 53.38 2k77 n GLN 76 Cb 0.00 -1.00 -0.10 0.00 0.11 0.00 0.00 30.24 29.25 2k77 n GLN 76 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 2k77 s THR 77 N -0.91 3.02 0.08 5.09 2.01 -1.26 -5.11 115.64 118.55 2k77 s THR 77 Ca 0.00 -1.76 0.01 0.00 0.31 0.00 0.00 61.69 60.26 2k77 s THR 77 Cb 0.00 -2.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.97 2k77 s THR 77 CO 0.00 -0.13 0.18 -0.63 -0.69 0.00 0.00 174.62 173.35 2k77 s ILE 78 N -1.74 5.13 0.09 1.82 1.09 -1.26 -4.63 121.20 121.70 2k77 s ILE 78 Ca 0.24 -0.54 -0.02 0.00 -1.10 0.00 0.00 60.65 59.24 2k77 s ILE 78 Cb -0.08 -3.52 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 2k77 s ILE 78 CO 0.14 0.10 0.03 -2.28 -0.10 0.00 0.00 174.94 172.83 2k77 s HIS 79 N -1.51 0.66 -0.09 3.97 5.65 -1.04 -4.98 115.29 117.96 2k77 s HIS 79 Ca 0.33 -1.12 -0.14 0.00 0.25 0.00 0.00 55.06 54.38 2k77 s HIS 79 Cb -0.12 -0.41 -0.05 0.00 -1.18 0.00 0.00 32.58 30.82 2k77 s HIS 79 CO 0.26 -0.46 0.35 0.71 -0.65 0.00 0.00 174.74 174.95 2k77 s TYR 80 N -3.98 3.59 0.85 3.88 1.51 -1.26 -0.58 117.35 121.35 2k77 s TYR 80 Ca 0.15 0.79 -0.11 0.00 -1.01 0.00 0.00 57.07 56.89 2k77 s TYR 80 Cb 0.07 -2.31 0.10 0.00 -0.11 0.00 0.00 41.96 39.72 2k77 s TYR 80 CO -0.04 0.45 1.09 0.95 -1.11 0.00 0.00 175.55 176.89 2k77 s THR 81 N -0.29 2.92 0.47 -0.71 -4.23 -0.61 -4.78 115.64 108.40 2k77 s THR 81 Ca 0.21 0.30 0.16 0.00 -1.18 0.00 0.00 61.69 61.17 2k77 s THR 81 Cb -0.15 -2.75 0.33 0.00 1.34 0.00 0.00 72.50 71.27 2k77 s THR 81 CO 0.09 -0.39 2.02 -0.65 -0.54 0.00 0.00 174.62 175.15 2k77 h PRO 82 N -1.40 0.25 -0.26 3.99 0.11 -1.99 0.70 132.00 133.41 2k77 h PRO 82 Ca -0.47 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 2k77 h PRO 82 Cb 1.26 -0.06 0.00 0.00 0.11 0.00 0.00 31.00 32.31 2k77 h PRO 82 CO 0.52 0.17 -0.52 0.00 -0.21 0.00 0.00 178.00 177.95 2k77 h ARG 83 N 0.26 0.82 -0.41 1.05 3.08 -1.94 -1.25 114.38 115.99 2k77 h ARG 83 Ca 0.21 -0.53 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 2k77 h ARG 83 Cb 0.48 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.59 2k77 h ARG 83 CO -0.04 1.16 -0.17 0.00 -1.07 0.00 0.00 179.97 179.85 2k77 h ALA 84 N 0.65 0.57 -0.61 0.04 0.00 -1.67 -0.67 119.26 117.57 2k77 h ALA 84 Ca 0.01 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.60 2k77 h ALA 84 Cb 1.13 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.74 2k77 h ALA 84 CO 0.12 0.50 0.36 -0.22 0.00 0.00 0.00 179.25 180.01 2k77 h LYS 85 N 0.65 0.69 -0.64 0.00 3.64 -0.89 0.08 116.57 120.09 2k77 h LYS 85 Ca 0.09 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.43 2k77 h LYS 85 Cb 0.72 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2k77 h LYS 85 CO 0.05 0.46 0.38 0.87 -2.27 0.00 0.00 179.45 178.94 2k77 h LYS 86 N 0.71 0.87 -0.80 1.90 1.57 -1.12 -1.73 116.57 117.97 2k77 h LYS 86 Ca 0.25 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.96 2k77 h LYS 86 Cb 0.05 -0.18 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 2k77 h LYS 86 CO -0.12 0.62 0.53 0.28 -0.57 0.00 0.00 179.45 180.19 2k77 h VAL 87 N 0.87 1.19 -0.42 0.50 2.07 -0.51 0.72 116.25 120.67 2k77 h VAL 87 Ca 0.23 -0.37 -0.00 0.00 0.82 0.00 0.00 66.70 67.38 2k77 h VAL 87 Cb -0.02 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 29.76 2k77 h VAL 87 CO -0.04 0.20 0.26 0.40 0.02 0.00 0.00 177.57 178.40 2k77 h ILE 88 N 1.07 1.13 -0.45 4.57 1.08 -0.68 0.19 117.51 124.42 2k77 h ILE 88 Ca 0.30 -0.27 -0.08 0.00 -0.39 0.00 0.00 64.86 64.41 2k77 h ILE 88 Cb -0.11 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.18 2k77 h ILE 88 CO -0.07 0.13 -0.05 -0.33 -0.69 0.00 0.00 178.15 177.14 2k77 h GLU 89 N 0.56 0.77 -0.00 2.37 5.08 -1.02 -2.20 114.58 120.13 2k77 h GLU 89 Ca 0.15 -0.23 -0.16 0.00 -1.00 0.00 0.00 59.36 58.12 2k77 h GLU 89 Cb -0.02 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 2k77 h GLU 89 CO -0.03 0.81 -0.77 -0.07 -1.00 0.00 0.00 179.01 177.95 2k77 h LEU 90 N 0.71 0.03 -0.61 1.33 3.38 -0.55 -0.05 115.31 119.55 2k77 h LEU 90 Ca 0.13 -0.02 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 90 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 2k77 h LEU 90 CO 0.03 0.78 0.06 0.28 0.09 0.00 0.00 178.44 179.68 2k77 h SER 91 N 0.01 1.00 -0.49 -0.43 0.02 -0.53 -0.33 113.55 112.80 2k77 h SER 91 Ca -0.01 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.56 2k77 h SER 91 Cb 1.35 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 63.61 2k77 h SER 91 CO 0.10 1.03 -0.06 -0.03 -1.14 0.00 0.00 176.83 176.73 2k77 h MET 92 N 0.93 0.95 -0.25 3.45 1.85 -1.26 -1.31 114.93 119.29 2k77 h MET 92 Ca 0.18 -0.32 -0.11 0.00 -0.61 0.00 0.00 59.70 58.84 2k77 h MET 92 Cb 0.48 -0.08 -0.01 0.00 0.43 0.00 0.00 31.60 32.42 2k77 h MET 92 CO 0.02 0.98 -0.32 0.22 -0.40 0.00 0.00 176.91 177.41 2k77 h ASP 93 N 0.86 0.54 -0.23 1.39 3.58 -0.80 -0.64 116.42 121.13 2k77 h ASP 93 Ca 0.15 -0.21 -0.09 0.00 0.42 0.00 0.00 57.03 57.29 2k77 h ASP 93 Cb 0.59 -0.15 -0.00 0.00 1.72 0.00 0.00 39.33 41.49 2k77 h ASP 93 CO 0.04 0.83 -0.22 -0.33 -2.88 0.00 0.00 179.24 176.68 2k77 h GLU 94 N 0.45 0.56 -0.81 0.28 4.39 -0.98 0.27 114.58 118.73 2k77 h GLU 94 Ca 0.05 -0.29 0.06 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 94 Cb 0.78 0.01 -0.05 0.00 -0.10 0.00 0.00 28.75 29.39 2k77 h GLU 94 CO 0.06 0.88 0.53 0.00 -1.16 0.00 0.00 179.01 179.32 2k77 h ALA 95 N 0.67 1.58 -0.15 3.43 0.00 -1.11 -0.62 119.26 123.05 2k77 h ALA 95 Ca 0.04 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 95 Cb 0.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 2k77 h ALA 95 CO 0.06 0.30 -0.01 -0.09 0.00 0.00 0.00 179.25 179.51 2k77 h ARG 96 N 0.92 0.28 -0.77 0.00 2.43 -1.05 -0.36 114.38 115.83 2k77 h ARG 96 Ca 0.34 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.37 2k77 h ARG 96 Cb 0.18 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 29.68 2k77 h ARG 96 CO -0.12 0.52 0.29 -0.22 -1.51 0.00 0.00 179.97 178.93 2k77 h LYS 97 N 0.01 1.15 0.00 0.20 3.64 -0.27 -1.79 116.57 119.51 2k77 h LYS 97 Ca 0.04 -0.21 0.00 0.00 -1.27 0.00 0.00 60.65 59.21 2k77 h LYS 97 Cb 0.40 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 2k77 h LYS 97 CO 0.01 0.94 0.00 1.28 -2.27 0.00 0.00 179.45 179.41 2k77 n LEU 98 N -4.27 0.00 -1.46 5.20 7.99 -0.30 -4.93 117.00 119.22 2k77 n LEU 98 Ca 0.07 0.20 -0.14 0.00 -0.01 0.00 0.00 56.01 56.13 2k77 n LEU 98 Cb 0.19 -0.20 -0.02 0.00 -0.11 0.00 0.00 43.42 43.28 2k77 n LEU 98 CO 0.41 -0.01 -0.17 0.61 -1.51 0.00 0.00 177.39 176.72 2k77 n GLY 99 N 1.14 0.23 0.16 -0.72 0.00 -0.68 -4.93 105.19 100.40 2k77 n GLY 99 Ca 0.17 -0.31 0.12 0.00 0.00 0.00 0.00 46.02 45.99 2k77 n GLY 99 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 2k77 h HIS 100 N 0.00 0.00 0.00 1.61 6.17 -1.30 -3.48 115.15 118.14 2k77 h HIS 100 Ca -0.32 0.00 0.00 0.00 0.71 0.00 0.00 60.37 60.76 2k77 h HIS 100 Cb 1.16 0.00 0.00 0.00 2.52 0.00 0.00 27.41 31.09 2k77 h HIS 100 CO 0.38 0.00 0.00 0.43 0.71 0.00 0.00 177.93 179.45 2k77 n SER 101 N -2.80 -2.87 -3.51 3.26 7.64 -1.22 -4.91 113.62 109.22 2k77 n SER 101 Ca 0.03 0.00 -0.15 0.00 1.01 0.00 0.00 58.87 59.76 2k77 n SER 101 Cb 0.52 -2.81 -0.05 0.00 -1.01 0.00 0.00 64.21 60.86 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2k77 s TYR 102 N -1.14 -0.57 -0.52 1.43 -0.85 -1.25 -4.38 117.35 110.07 2k77 s TYR 102 Ca 0.00 0.74 -0.23 0.00 -0.52 0.00 0.00 57.07 57.07 2k77 s TYR 102 Cb 0.00 0.44 0.04 0.00 0.38 0.00 0.00 41.96 42.82 2k77 s TYR 102 CO 0.00 -0.68 0.84 0.08 -1.52 0.00 0.00 175.55 174.27 2k77 s VAL 103 N -2.21 4.54 0.79 -3.49 1.01 0.40 -4.82 120.40 116.64 2k77 s VAL 103 Ca -0.06 0.12 -0.10 0.00 0.00 0.00 0.00 61.98 61.94 2k77 s VAL 103 Cb -0.01 -4.45 0.10 0.00 0.00 0.00 0.00 36.38 32.03 2k77 s VAL 103 CO 0.01 -0.98 1.13 -0.83 0.00 0.00 0.00 175.10 174.43 2k77 s GLY 104 N 2.69 1.69 0.33 4.51 0.00 -1.26 -1.37 107.32 113.90 2k77 s GLY 104 Ca 0.27 -1.00 0.07 0.00 0.00 0.00 0.00 44.72 44.05 2k77 s GLY 104 CO 0.18 -0.47 1.83 -0.91 0.00 0.00 0.00 173.10 173.72 2k77 h THR 105 N -0.95 0.80 -0.10 0.90 1.35 -1.93 -1.21 112.91 111.77 2k77 h THR 105 Ca -0.44 -0.26 0.04 0.00 -0.55 0.00 0.00 66.41 65.20 2k77 h THR 105 Cb 1.30 -0.04 -0.06 0.00 -1.73 0.00 0.00 68.15 67.62 2k77 h THR 105 CO 0.54 0.14 -0.32 1.05 -0.25 0.00 0.00 175.52 176.68 2k77 h GLU 106 N 0.77 -0.40 0.00 4.72 9.09 -1.94 -2.37 114.58 124.45 2k77 h GLU 106 Ca 0.51 0.03 -0.06 0.00 0.05 0.00 0.00 59.36 59.89 2k77 h GLU 106 Cb 0.76 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.95 2k77 h GLU 106 CO -0.27 -0.27 -0.28 0.45 0.05 0.00 0.00 179.01 178.69 2k77 h HIS 107 N -0.42 0.00 -0.11 2.06 3.86 -1.64 -1.45 115.15 117.46 2k77 h HIS 107 Ca 0.09 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.30 2k77 h HIS 107 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2k77 h HIS 107 CO -0.39 0.28 0.07 0.82 0.86 0.00 0.00 177.93 179.57 2k77 h ILE 108 N 0.00 1.05 -0.52 2.45 2.04 -0.97 -0.29 117.51 121.27 2k77 h ILE 108 Ca -0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 2k77 h ILE 108 Cb 0.54 0.93 -0.02 0.00 -0.74 0.00 0.00 36.82 37.53 2k77 h ILE 108 CO 0.04 0.04 0.16 0.25 0.00 0.00 0.00 178.15 178.64 2k77 h LEU 109 N 0.12 0.75 -0.92 1.44 5.85 -0.91 -0.90 115.31 120.75 2k77 h LEU 109 Ca 0.04 -0.21 0.10 0.00 0.84 0.00 0.00 57.88 58.66 2k77 h LEU 109 Cb 0.01 -0.20 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 2k77 h LEU 109 CO -0.01 0.76 0.56 -0.07 -0.34 0.00 0.00 178.44 179.34 2k77 h LEU 110 N 0.71 0.81 -0.81 2.25 3.38 -1.19 -1.74 115.31 118.72 2k77 h LEU 110 Ca 0.17 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 110 Cb 0.28 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.88 2k77 h LEU 110 CO -0.01 0.45 0.34 1.23 0.09 0.00 0.00 178.44 180.55 2k77 h GLY 111 N 0.91 1.29 1.05 0.83 0.00 -0.48 -0.54 103.07 106.12 2k77 h GLY 111 Ca 0.45 -0.69 -0.04 0.00 0.00 0.00 0.00 47.33 47.04 2k77 h GLY 111 CO -0.25 0.65 0.33 1.41 0.00 0.00 0.00 176.54 178.68 2k77 h LEU 112 N 1.18 1.10 -0.14 3.11 3.38 -0.35 -1.96 115.31 121.63 2k77 h LEU 112 Ca 0.27 -0.17 -0.23 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 112 Cb 0.19 -0.28 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k77 h LEU 112 CO -0.03 0.97 -0.83 0.16 0.09 0.00 0.00 178.44 178.80 2k77 h ILE 113 N 1.16 1.28 -0.43 1.22 3.07 -1.24 -3.27 117.51 119.30 2k77 h ILE 113 Ca 0.27 -2.02 0.06 0.00 1.55 0.00 0.00 64.86 64.72 2k77 h ILE 113 Cb 0.20 2.05 -0.02 0.00 -0.27 0.00 0.00 36.82 38.78 2k77 h ILE 113 CO -0.02 0.64 0.29 0.03 -1.05 0.00 0.00 178.15 178.04 2k77 h ARG 114 N 0.51 0.32 -0.42 0.16 2.47 -0.93 -2.26 114.38 114.23 2k77 h ARG 114 Ca -0.07 -0.02 -0.11 0.00 -1.26 0.00 0.00 59.98 58.52 2k77 h ARG 114 Cb 1.46 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 29.70 2k77 h ARG 114 CO 0.17 0.21 -0.17 1.49 0.56 0.00 0.00 179.97 182.22 2k77 h GLU 115 N 0.32 0.86 0.00 0.04 4.57 -1.41 -3.47 114.58 115.49 2k77 h GLU 115 Ca 0.19 -0.36 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2k77 h GLU 115 Cb 0.34 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 2k77 h GLU 115 CO -0.04 1.00 0.00 0.41 -1.18 0.00 0.00 179.01 179.20 2k77 n GLY 116 N -0.10 1.13 0.06 1.92 0.00 -0.85 -4.49 105.19 102.85 2k77 n GLY 116 Ca -0.01 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.03 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N 0.00 0.66 -1.13 1.61 4.07 -1.26 -4.63 120.64 119.96 2k77 n GLU 117 Ca 0.00 -0.07 -0.31 0.00 -0.06 0.00 0.00 57.16 56.72 2k77 n GLU 117 Cb 0.00 -1.56 0.11 0.00 -0.06 0.00 0.00 31.44 29.93 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k77 s GLY 118 N -4.91 1.67 0.36 8.31 0.00 -1.26 -4.85 107.32 106.64 2k77 s GLY 118 Ca -0.08 0.30 0.09 0.00 0.00 0.00 0.00 44.72 45.04 2k77 s GLY 118 CO 0.86 0.68 1.87 -2.08 0.00 0.00 0.00 173.10 174.43 2k77 h VAL 119 N -1.33 0.83 -0.63 1.40 2.07 -1.93 -1.97 116.25 114.69 2k77 h VAL 119 Ca -0.44 -0.24 0.05 0.00 0.82 0.00 0.00 66.70 66.90 2k77 h VAL 119 Cb 1.24 0.08 -0.05 0.00 -1.52 0.00 0.00 31.29 31.05 2k77 h VAL 119 CO 0.50 0.13 0.35 0.00 0.02 0.00 0.00 177.57 178.56 2k77 h ALA 120 N 1.60 0.84 -0.37 1.67 0.00 -1.91 0.77 119.26 121.85 2k77 h ALA 120 Ca 0.45 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.30 2k77 h ALA 120 Cb 0.73 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k77 h ALA 120 CO -0.21 0.04 -0.08 0.00 0.00 0.00 0.00 179.25 179.00 2k77 h ALA 121 N 1.32 1.17 -0.40 0.00 0.00 -1.54 -2.51 119.26 117.30 2k77 h ALA 121 Ca 0.28 -0.27 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 2k77 h ALA 121 Cb 0.15 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 2k77 h ALA 121 CO -0.17 0.53 -0.06 0.00 0.00 0.00 0.00 179.25 179.56 2k77 h ARG 122 N 0.58 0.75 -0.26 0.00 2.47 -1.07 -2.24 114.38 114.61 2k77 h ARG 122 Ca 0.11 -0.27 0.04 0.00 -1.26 0.00 0.00 59.98 58.60 2k77 h ARG 122 Cb 0.49 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.72 2k77 h ARG 122 CO 0.03 0.86 0.05 0.28 0.56 0.00 0.00 179.97 181.75 2k77 h VAL 123 N 0.56 0.88 -0.47 2.04 2.07 -0.78 0.08 116.25 120.62 2k77 h VAL 123 Ca 0.11 -0.05 -0.00 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 123 Cb 0.57 0.71 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 2k77 h VAL 123 CO 0.03 0.03 0.29 -0.07 0.02 0.00 0.00 177.57 177.87 2k77 h LEU 124 N 0.15 0.56 -1.02 2.57 3.38 -1.42 -1.69 115.31 117.84 2k77 h LEU 124 Ca 0.12 -0.04 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 124 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k77 h LEU 124 CO -0.16 0.44 -0.20 0.78 0.09 0.00 0.00 178.44 179.39 2k77 h ASN 125 N 0.63 0.46 -0.51 -0.43 2.35 -1.09 0.49 115.58 117.49 2k77 h ASN 125 Ca 0.17 -0.14 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 2k77 h ASN 125 Cb -0.03 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2k77 h ASN 125 CO -0.03 0.68 -0.14 0.78 -1.65 0.00 0.00 177.43 177.06 2k77 h ASN 126 N 0.42 1.00 0.59 5.81 4.21 -0.70 -3.23 115.58 123.68 2k77 h ASN 126 Ca 0.07 -0.37 -0.18 0.00 1.21 0.00 0.00 56.30 57.03 2k77 h ASN 126 Cb 0.59 -0.27 -0.01 0.00 -1.12 0.00 0.00 38.32 37.50 2k77 h ASN 126 CO 0.04 1.14 -0.82 -0.07 -1.29 0.00 0.00 177.43 176.43 2k77 h LEU 127 N 0.85 0.20 0.00 1.61 3.38 -1.11 -3.48 115.31 116.76 2k77 h LEU 127 Ca 0.13 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2k77 h LEU 127 Cb 0.71 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 127 CO 0.05 0.93 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2k77 n GLY 128 N 0.75 0.77 3.86 0.83 0.00 -0.38 -5.10 105.19 105.92 2k77 n GLY 128 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2k77 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k77 s VAL 129 N -1.36 5.02 0.22 1.61 1.01 0.02 -4.98 120.40 121.94 2k77 s VAL 129 Ca 0.00 0.59 0.02 0.00 0.00 0.00 0.00 61.98 62.59 2k77 s VAL 129 Cb 0.00 -3.68 -0.05 0.00 0.00 0.00 0.00 36.38 32.65 2k77 s VAL 129 CO 0.00 0.29 0.04 -0.44 0.00 0.00 0.00 175.10 174.99 2k77 s SER 130 N -1.71 1.34 0.15 3.32 0.01 -1.26 -3.23 113.70 112.32 2k77 s SER 130 Ca 0.34 -1.27 -0.28 0.00 1.31 0.00 0.00 55.95 56.06 2k77 s SER 130 Cb -0.14 0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.18 2k77 s SER 130 CO 0.18 -0.62 1.57 -0.07 0.41 0.00 0.00 173.24 174.71 2k77 h LEU 131 N 2.52 -1.50 -0.82 2.44 3.38 -1.99 -0.95 115.31 118.39 2k77 h LEU 131 Ca -0.38 0.23 -0.07 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 131 Cb 1.22 0.65 -0.03 0.00 0.09 0.00 0.00 40.66 42.60 2k77 h LEU 131 CO 0.62 -0.37 0.11 0.78 0.09 0.00 0.00 178.44 179.68 2k77 h ASN 132 N -0.33 0.95 -0.17 -0.43 2.35 -1.98 0.17 115.58 116.14 2k77 h ASN 132 Ca 0.13 -0.21 -0.01 0.00 -0.55 0.00 0.00 56.30 55.66 2k77 h ASN 132 Cb 0.59 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.70 2k77 h ASN 132 CO -0.59 0.94 0.06 0.11 -1.65 0.00 0.00 177.43 176.30 2k77 h LYS 133 N 0.95 0.27 0.12 0.81 1.57 -1.84 -1.63 116.57 116.81 2k77 h LYS 133 Ca 0.19 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.92 2k77 h LYS 133 Cb 0.39 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k77 h LYS 133 CO 0.01 0.36 -0.06 0.00 -0.57 0.00 0.00 179.45 179.19 2k77 h ALA 134 N 0.89 -0.16 -0.50 3.86 0.00 -1.09 -2.96 119.26 119.30 2k77 h ALA 134 Ca 0.06 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 134 Cb 0.20 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2k77 h ALA 134 CO -0.00 -0.36 0.32 0.00 0.00 0.00 0.00 179.25 179.20 2k77 h ARG 135 N -0.62 0.62 -0.44 0.00 3.08 -0.99 -0.78 114.38 115.25 2k77 h ARG 135 Ca -0.02 -0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2k77 h ARG 135 Cb 0.48 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 2k77 h ARG 135 CO 0.03 0.41 -0.12 0.37 -1.07 0.00 0.00 179.97 179.58 2k77 h GLN 136 N 0.64 0.81 -0.24 0.04 4.15 -1.40 0.43 115.11 119.54 2k77 h GLN 136 Ca 0.19 -0.28 -0.09 0.00 0.77 0.00 0.00 58.65 59.25 2k77 h GLN 136 Cb -0.03 -0.06 -0.00 0.00 0.21 0.00 0.00 27.48 27.60 2k77 h GLN 136 CO -0.07 0.89 -0.20 1.96 -1.93 0.00 0.00 178.83 179.48 2k77 h GLN 137 N 0.73 0.55 -0.39 1.69 1.08 -1.32 -2.29 115.11 115.16 2k77 h GLN 137 Ca 0.12 -0.28 -0.05 0.00 -1.45 0.00 0.00 58.65 56.99 2k77 h GLN 137 Cb 0.62 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 2k77 h GLN 137 CO 0.04 0.86 0.07 0.28 -0.95 0.00 0.00 178.83 179.13 2k77 h VAL 138 N 0.25 1.24 0.00 -0.54 2.07 -0.99 0.11 116.25 118.39 2k77 h VAL 138 Ca 0.04 -0.85 -0.04 0.00 0.82 0.00 0.00 66.70 66.68 2k77 h VAL 138 Cb 0.75 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.55 2k77 h VAL 138 CO 0.05 0.29 -0.17 -0.07 0.02 0.00 0.00 177.57 177.69 2k77 h LEU 139 N 0.49 0.00 0.00 2.57 3.38 -0.98 -2.35 115.31 118.42 2k77 h LEU 139 Ca 0.12 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 139 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k77 h LEU 139 CO 0.01 0.17 -0.00 1.56 0.09 0.00 0.00 178.44 180.26 2k77 h GLN 140 N 0.00 0.00 0.00 1.13 4.20 -1.26 -3.40 115.11 115.78 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.67 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.45 2k77 h GLN 140 CO 0.02 0.64 0.00 1.25 -0.67 0.00 0.00 178.83 180.08 2k77 h LEU 141 N -1.00 0.00 0.00 1.46 5.85 -0.85 0.13 115.31 120.90 2k77 h LEU 141 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 141 Cb 0.64 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.67 2k77 h LEU 141 CO -0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -2.85 0.00 0.00 2.25 -0.00 -0.89 -4.69 117.00 110.82 2k77 n LEU 142 Ca 0.00 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k77 n LEU 142 Cb 0.23 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2k77 n LEU 142 CO 0.23 -0.27 0.00 0.61 -0.00 0.00 0.00 177.39 177.96 2k77 n GLY 143 N -0.54 -0.41 0.14 1.47 0.00 -1.04 -5.05 105.19 99.77 2k77 n GLY 143 Ca 0.03 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.12 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 0.99 0.00 1.61 7.64 0.27 -5.13 113.62 119.01 2k77 n SER 144 Ca 0.00 -1.00 0.06 0.00 1.01 0.00 0.00 58.87 58.95 2k77 n SER 144 Cb 0.00 0.77 0.36 0.00 -1.01 0.00 0.00 64.21 64.34 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83