#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 0.62 0.17 2.12 1.75 -1.26 -5.04 119.30 117.66 2k77 s MET 2 Ca 0.00 -0.03 0.09 0.00 -1.25 0.00 0.00 55.69 54.50 2k77 s MET 2 Cb 0.00 0.28 -0.04 0.00 2.84 0.00 0.00 34.83 37.91 2k77 s MET 2 CO 0.00 -0.16 -0.12 -0.06 -0.65 0.00 0.00 175.02 174.04 2k77 s PHE 3 N -0.98 2.60 -0.04 4.11 0.08 -1.26 -5.06 117.98 117.42 2k77 s PHE 3 Ca -0.10 -0.24 0.06 0.00 0.12 0.00 0.00 56.93 56.77 2k77 s PHE 3 Cb -0.04 -1.28 0.09 0.00 -0.57 0.00 0.00 43.02 41.21 2k77 s PHE 3 CO 0.04 0.50 1.00 0.41 -0.10 0.00 0.00 175.22 177.06 2k77 n GLY 4 N 0.14 1.61 3.18 4.36 0.00 -1.26 -5.04 105.19 108.19 2k77 n GLY 4 Ca -0.11 -0.34 -0.18 0.00 0.00 0.00 0.00 46.02 45.38 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 -0.90 0.86 0.15 1.61 1.81 -1.26 -5.09 118.95 116.12 2k77 s ARG 5 Ca 0.10 -1.01 0.10 0.00 -1.72 0.00 0.00 55.73 53.20 2k77 s ARG 5 Cb 0.08 -0.85 -0.04 0.00 -0.45 0.00 0.00 34.95 33.70 2k77 s ARG 5 CO 0.01 0.18 -0.19 -0.06 -0.68 0.00 0.00 175.30 174.56 2k77 s PHE 6 N -1.43 2.46 0.97 -0.53 0.40 -1.26 -0.77 117.98 117.83 2k77 s PHE 6 Ca -0.00 -0.30 -0.12 0.00 -0.60 0.00 0.00 56.93 55.92 2k77 s PHE 6 Cb -0.09 -1.27 0.17 0.00 0.51 0.00 0.00 43.02 42.34 2k77 s PHE 6 CO 0.02 0.43 1.08 0.95 0.70 0.00 0.00 175.22 178.41 2k77 s THR 7 N -1.35 2.38 0.32 0.64 -4.23 -0.36 -4.78 115.64 108.26 2k77 s THR 7 Ca 0.19 0.12 0.02 0.00 -1.18 0.00 0.00 61.69 60.84 2k77 s THR 7 Cb -0.10 -2.44 0.19 0.00 1.34 0.00 0.00 72.50 71.49 2k77 s THR 7 CO 0.10 -0.16 1.90 1.05 -0.54 0.00 0.00 174.62 176.97 2k77 h GLU 8 N -1.88 0.71 -0.52 3.99 4.11 -1.99 -0.31 114.58 118.70 2k77 h GLU 8 Ca -0.52 -0.12 -0.12 0.00 0.07 0.00 0.00 59.36 58.68 2k77 h GLU 8 Cb 1.30 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 30.41 2k77 h GLU 8 CO 0.52 0.62 -0.14 0.00 0.07 0.00 0.00 179.01 180.08 2k77 h ARG 9 N 0.70 1.01 -0.45 1.06 2.47 -1.96 -1.64 114.38 115.57 2k77 h ARG 9 Ca 0.16 -0.39 -0.10 0.00 -1.26 0.00 0.00 59.98 58.39 2k77 h ARG 9 Cb 0.20 -0.05 -0.01 0.00 -1.65 0.00 0.00 29.97 28.45 2k77 h ARG 9 CO -0.01 1.08 -0.13 0.00 0.56 0.00 0.00 179.97 181.47 2k77 h ALA 10 N 0.90 0.62 -0.54 0.04 0.00 -1.78 -2.21 119.26 116.29 2k77 h ALA 10 Ca 0.13 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 10 Cb 0.71 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.32 2k77 h ALA 10 CO 0.05 0.53 0.26 1.96 0.00 0.00 0.00 179.25 182.06 2k77 h GLN 11 N 0.72 0.76 -0.43 0.00 4.20 -1.02 -1.90 115.11 117.44 2k77 h GLN 11 Ca 0.11 -0.09 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 2k77 h GLN 11 Cb 0.68 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 2k77 h GLN 11 CO 0.05 0.59 0.23 0.87 -0.67 0.00 0.00 178.83 179.89 2k77 h LYS 12 N 0.76 0.61 -0.75 1.46 1.57 -1.00 -0.74 116.57 118.48 2k77 h LYS 12 Ca 0.19 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.86 2k77 h LYS 12 Cb 0.08 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.24 2k77 h LYS 12 CO -0.03 0.50 0.34 -0.39 -0.57 0.00 0.00 179.45 179.31 2k77 h VAL 13 N 0.56 1.24 -0.05 0.50 -1.51 -0.82 0.11 116.25 116.27 2k77 h VAL 13 Ca 0.15 -0.71 -0.17 0.00 -1.23 0.00 0.00 66.70 64.74 2k77 h VAL 13 Cb 0.08 0.30 -0.01 0.00 -2.13 0.00 0.00 31.29 29.53 2k77 h VAL 13 CO -0.02 0.30 -0.71 -0.07 -1.23 0.00 0.00 177.57 175.83 2k77 h LEU 14 N 1.08 0.32 -0.40 4.19 3.38 -1.26 -0.26 115.31 122.36 2k77 h LEU 14 Ca 0.26 -0.21 -0.12 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 14 Cb 0.14 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 40.79 2k77 h LEU 14 CO -0.03 0.93 -0.21 0.00 0.09 0.00 0.00 178.44 179.22 2k77 h ALA 15 N 1.07 0.56 -0.25 1.53 0.00 -0.89 -3.16 119.26 118.13 2k77 h ALA 15 Ca -0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.42 2k77 h ALA 15 Cb 1.27 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k77 h ALA 15 CO 0.11 0.53 -0.24 -0.07 0.00 0.00 0.00 179.25 179.58 2k77 h LEU 16 N 0.66 0.48 -1.54 0.00 3.38 -0.90 -3.03 115.31 114.36 2k77 h LEU 16 Ca 0.09 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 16 Cb 0.77 -0.13 -0.03 0.00 0.09 0.00 0.00 40.66 41.36 2k77 h LEU 16 CO 0.06 0.73 0.35 0.00 0.09 0.00 0.00 178.44 179.66 2k77 h ALA 17 N 1.31 1.75 -0.25 1.53 0.00 -1.00 0.92 119.26 123.52 2k77 h ALA 17 Ca 0.06 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 17 Cb 0.66 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k77 h ALA 17 CO 0.05 0.19 -0.09 0.37 0.00 0.00 0.00 179.25 179.77 2k77 h GLN 18 N 0.60 0.50 -0.26 0.00 4.15 -1.53 -1.44 115.11 117.13 2k77 h GLN 18 Ca 0.21 -0.20 -0.14 0.00 0.77 0.00 0.00 58.65 59.29 2k77 h GLN 18 Cb 0.10 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.76 2k77 h GLN 18 CO -0.05 0.74 -0.41 1.49 -1.93 0.00 0.00 178.83 178.67 2k77 h GLU 19 N 0.23 0.62 -0.67 1.69 4.81 -1.40 -1.46 114.58 118.40 2k77 h GLU 19 Ca 0.06 -0.32 -0.06 0.00 -0.13 0.00 0.00 59.36 58.91 2k77 h GLU 19 Cb 0.57 0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.93 2k77 h GLU 19 CO 0.03 0.91 0.18 0.93 -0.73 0.00 0.00 179.01 180.33 2k77 h GLU 20 N 0.51 1.05 0.20 1.92 4.39 -0.84 0.16 114.58 121.96 2k77 h GLU 20 Ca 0.04 -0.23 -0.01 0.00 0.34 0.00 0.00 59.36 59.50 2k77 h GLU 20 Cb 0.92 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.42 2k77 h GLU 20 CO 0.08 0.92 -0.09 0.00 -1.16 0.00 0.00 179.01 178.76 2k77 h ALA 21 N 1.18 -0.26 -0.36 3.43 0.00 -1.12 -2.61 119.26 119.52 2k77 h ALA 21 Ca 0.21 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.97 2k77 h ALA 21 Cb 0.33 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.21 2k77 h ALA 21 CO -0.00 -0.61 -0.05 -0.07 0.00 0.00 0.00 179.25 178.52 2k77 h LEU 22 N -0.34 0.57 -0.81 0.00 3.38 -1.03 0.55 115.31 117.64 2k77 h LEU 22 Ca -0.03 -0.13 -0.06 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 22 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 2k77 h LEU 22 CO 0.04 0.68 0.20 -0.09 0.09 0.00 0.00 178.44 179.36 2k77 h ARG 23 N 0.56 1.09 -0.00 1.13 2.43 -0.70 -2.18 114.38 116.71 2k77 h ARG 23 Ca 0.11 -0.24 0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k77 h ARG 23 Cb 0.44 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 29.83 2k77 h ARG 23 CO 0.02 0.94 -0.01 1.28 -1.51 0.00 0.00 179.97 180.69 2k77 n LEU 24 N -4.25 0.07 -1.09 3.80 4.77 -0.99 -4.94 117.00 114.38 2k77 n LEU 24 Ca 0.06 0.14 -0.06 0.00 -0.03 0.00 0.00 56.01 56.12 2k77 n LEU 24 Cb 0.24 -0.17 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2k77 n LEU 24 CO 0.42 0.01 0.03 0.61 -1.33 0.00 0.00 177.39 177.12 2k77 n GLY 25 N 1.18 0.46 3.62 -0.72 0.00 -0.82 -1.35 105.19 107.55 2k77 n GLY 25 Ca 0.18 -0.51 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.85 2.97 -0.85 1.61 3.76 0.13 -0.86 115.29 119.20 2k77 s HIS 26 Ca 0.11 0.03 0.17 0.00 -0.15 0.00 0.00 55.06 55.22 2k77 s HIS 26 Cb -0.05 -1.68 0.72 0.00 1.11 0.00 0.00 32.58 32.69 2k77 s HIS 26 CO 0.13 0.38 1.64 0.27 -0.85 0.00 0.00 174.74 176.31 2k77 n ASN 27 N 1.85 4.89 -3.93 1.40 6.94 -1.26 -3.33 115.26 121.82 2k77 n ASN 27 Ca -0.17 -2.59 -0.10 0.00 -0.02 0.00 0.00 54.58 51.71 2k77 n ASN 27 Cb 0.53 -0.59 -0.11 0.00 -2.36 0.00 0.00 39.78 37.25 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k77 s ASN 28 N -0.96 0.14 -0.32 0.53 6.03 -1.26 -3.23 114.94 115.86 2k77 s ASN 28 Ca 0.51 -0.35 -0.21 0.00 -1.03 0.00 0.00 52.86 51.78 2k77 s ASN 28 Cb 0.35 0.14 -0.00 0.00 -3.03 0.00 0.00 41.25 38.70 2k77 s ASN 28 CO 0.21 -0.30 0.68 -0.63 -2.03 0.00 0.00 177.10 175.03 2k77 s ILE 29 N -1.32 4.88 0.62 0.54 1.01 0.04 -4.85 121.20 122.12 2k77 s ILE 29 Ca -0.14 0.86 0.03 0.00 0.00 0.00 0.00 60.65 61.40 2k77 s ILE 29 Cb -0.08 -4.07 0.09 0.00 0.01 0.00 0.00 42.46 38.41 2k77 s ILE 29 CO 0.00 -0.23 0.86 -0.83 0.00 0.00 0.00 174.94 174.74 2k77 s GLY 30 N 1.69 1.78 0.28 6.18 0.00 -1.26 -1.30 107.32 114.69 2k77 s GLY 30 Ca 0.27 -1.75 0.00 0.00 0.00 0.00 0.00 44.72 43.24 2k77 s GLY 30 CO 0.13 -1.30 1.84 -0.91 0.00 0.00 0.00 173.10 172.85 2k77 h THR 31 N -0.12 0.93 -0.62 0.90 1.35 -1.94 -1.61 112.91 111.80 2k77 h THR 31 Ca -0.36 -0.34 0.13 0.00 -0.55 0.00 0.00 66.41 65.29 2k77 h THR 31 Cb 1.28 -0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.46 2k77 h THR 31 CO 0.43 0.18 0.08 1.05 -0.25 0.00 0.00 175.52 177.01 2k77 h GLU 32 N 0.98 0.19 0.00 4.72 9.09 -1.94 -0.84 114.58 126.78 2k77 h GLU 32 Ca 0.48 -0.01 -0.20 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 32 Cb 0.45 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.50 2k77 h GLU 32 CO -0.26 0.13 -0.87 0.45 0.05 0.00 0.00 179.01 178.51 2k77 h HIS 33 N 0.20 0.28 -0.64 2.06 3.86 -1.66 -0.72 115.15 118.54 2k77 h HIS 33 Ca 0.33 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 33 Cb 0.53 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.94 2k77 h HIS 33 CO -0.30 0.96 0.21 0.82 0.86 0.00 0.00 177.93 180.49 2k77 h ILE 34 N 0.11 1.25 -0.60 2.45 2.04 -1.19 0.08 117.51 121.65 2k77 h ILE 34 Ca -0.04 -0.83 -0.08 0.00 1.00 0.00 0.00 64.86 64.91 2k77 h ILE 34 Cb 1.49 0.58 -0.02 0.00 -0.74 0.00 0.00 36.82 38.13 2k77 h ILE 34 CO 0.13 0.32 0.06 0.25 0.00 0.00 0.00 178.15 178.91 2k77 h LEU 35 N 0.91 0.98 -0.71 1.44 5.85 -0.95 -0.78 115.31 122.05 2k77 h LEU 35 Ca 0.21 -0.28 -0.02 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 35 Cb 0.28 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.01 2k77 h LEU 35 CO -0.01 1.02 0.35 -0.07 -0.34 0.00 0.00 178.44 179.39 2k77 h LEU 36 N 0.91 0.93 -0.72 2.25 4.07 -1.02 -2.12 115.31 119.61 2k77 h LEU 36 Ca 0.18 -0.13 0.06 0.00 0.08 0.00 0.00 57.88 58.07 2k77 h LEU 36 Cb 0.48 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.92 2k77 h LEU 36 CO 0.02 0.80 0.41 1.23 -1.08 0.00 0.00 178.44 179.82 2k77 h GLY 37 N 1.00 1.07 0.77 0.83 0.00 -0.68 -0.53 103.07 105.53 2k77 h GLY 37 Ca 0.25 -0.29 -0.02 0.00 0.00 0.00 0.00 47.33 47.27 2k77 h GLY 37 CO -0.03 0.17 -0.41 1.41 0.00 0.00 0.00 176.54 177.68 2k77 h LEU 38 N 0.75 -1.05 -1.24 3.11 3.38 -0.80 -1.50 115.31 117.96 2k77 h LEU 38 Ca 0.32 0.07 -0.05 0.00 0.09 0.00 0.00 57.88 58.31 2k77 h LEU 38 Cb 0.20 0.32 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k77 h LEU 38 CO -0.19 -0.61 -0.26 -0.37 0.09 0.00 0.00 178.44 177.10 2k77 h VAL 39 N -0.96 0.70 0.00 1.22 -1.51 -1.28 -1.33 116.25 113.09 2k77 h VAL 39 Ca -0.07 -1.13 -0.10 0.00 -1.23 0.00 0.00 66.70 64.17 2k77 h VAL 39 Cb 0.80 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.66 2k77 h VAL 39 CO 0.05 0.25 -0.47 -0.09 -1.23 0.00 0.00 177.57 176.08 2k77 h ARG 40 N 0.00 0.00 -0.03 5.19 2.43 -1.05 -3.09 114.38 117.83 2k77 h ARG 40 Ca -0.00 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.15 2k77 h ARG 40 Cb 0.70 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2k77 h ARG 40 CO 0.03 0.47 -0.05 1.49 -1.51 0.00 0.00 179.97 180.40 2k77 h GLU 41 N 0.00 0.10 0.00 0.20 4.22 -0.75 -3.48 114.58 114.87 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 1.06 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.31 2k77 h GLU 41 CO 0.06 0.60 0.00 0.41 -2.18 0.00 0.00 179.01 177.91 2k77 n GLY 42 N 0.35 1.98 0.02 1.92 0.00 -0.55 -4.68 105.19 104.23 2k77 n GLY 42 Ca -0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.76 0.92 -1.34 1.61 1.02 -1.26 -4.31 120.64 115.53 2k77 n GLU 43 Ca 0.00 -0.06 -0.36 0.00 -0.02 0.00 0.00 57.16 56.72 2k77 n GLU 43 Cb 0.00 -1.23 0.08 0.00 -0.02 0.00 0.00 31.44 30.27 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k77 n GLY 44 N 2.09 -0.64 0.27 0.62 0.00 -1.26 -4.67 105.19 101.61 2k77 n GLY 44 Ca -0.05 -0.34 0.05 0.00 0.00 0.00 0.00 46.02 45.67 2k77 n GLY 44 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k77 h ILE 45 N -0.27 0.64 -0.34 -0.61 1.08 -1.94 -0.89 117.51 115.17 2k77 h ILE 45 Ca -0.47 -0.14 -0.03 0.00 -0.39 0.00 0.00 64.86 63.83 2k77 h ILE 45 Cb 1.34 0.19 -0.01 0.00 -3.07 0.00 0.00 36.82 35.26 2k77 h ILE 45 CO 0.46 0.08 0.09 0.00 -0.69 0.00 0.00 178.15 178.08 2k77 h ALA 46 N 1.55 0.45 -0.51 1.87 0.00 -1.89 0.61 119.26 121.34 2k77 h ALA 46 Ca 0.41 -0.18 -0.08 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 46 Cb 0.64 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2k77 h ALA 46 CO -0.42 0.11 0.01 0.00 0.00 0.00 0.00 179.25 178.95 2k77 h ALA 47 N 0.93 1.06 0.00 0.00 0.00 -1.60 -0.61 119.26 119.04 2k77 h ALA 47 Ca 0.11 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 47 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k77 h ALA 47 CO 0.00 0.59 -0.49 0.87 0.00 0.00 0.00 179.25 180.22 2k77 h LYS 48 N 0.79 0.00 -0.46 0.00 1.79 -1.12 -1.65 116.57 115.93 2k77 h LYS 48 Ca 0.15 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.49 2k77 h LYS 48 Cb 0.46 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 31.10 2k77 h LYS 48 CO 0.02 0.49 -0.22 0.00 -1.08 0.00 0.00 179.45 178.65 2k77 h ALA 49 N 1.51 0.64 -0.05 3.86 0.00 -0.38 0.04 119.26 124.89 2k77 h ALA 49 Ca -0.00 -0.39 -0.00 0.00 0.00 0.00 0.00 54.91 54.51 2k77 h ALA 49 Cb 1.04 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.67 2k77 h ALA 49 CO 0.06 0.64 0.02 -0.07 0.00 0.00 0.00 179.25 179.91 2k77 h LEU 50 N 0.81 0.06 -1.06 0.00 3.38 -1.01 -1.97 115.31 115.52 2k77 h LEU 50 Ca 0.10 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 50 Cb 0.80 -0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.48 2k77 h LEU 50 CO 0.07 0.13 0.63 1.56 0.09 0.00 0.00 178.44 180.92 2k77 h GLN 51 N -0.02 1.18 -0.22 1.13 4.20 -1.28 -2.12 115.11 117.97 2k77 h GLN 51 Ca 0.02 -0.07 -0.06 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb 0.08 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2k77 h GLN 51 CO -0.00 0.78 -0.12 0.00 -0.67 0.00 0.00 178.83 178.82 2k77 h ALA 52 N 1.44 1.39 0.00 3.87 0.00 -0.78 -1.79 119.26 123.39 2k77 h ALA 52 Ca 0.38 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 55.06 2k77 h ALA 52 Cb 0.02 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k77 h ALA 52 CO -0.12 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.83 2k77 n LEU 53 N -4.24 0.00 0.00 0.00 4.77 -0.76 -4.86 117.00 111.91 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 0.29 0.72 0.76 -0.72 0.00 -0.67 -5.00 105.19 100.57 2k77 n GLY 54 Ca 0.02 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.61 0.99 4.77 -0.84 -4.99 117.00 113.32 2k77 n LEU 55 Ca 0.00 -0.34 -0.01 0.00 -0.03 0.00 0.00 56.01 55.63 2k77 n LEU 55 Cb 0.00 -0.17 -0.01 0.00 -2.33 0.00 0.00 43.42 40.90 2k77 n LEU 55 CO 0.00 -0.65 1.14 -0.83 -1.33 0.00 0.00 177.39 175.72 2k77 s GLY 56 N -3.32 -0.31 0.17 -0.72 0.00 -1.26 -4.32 107.32 97.56 2k77 s GLY 56 Ca 0.14 1.50 -0.14 0.00 0.00 0.00 0.00 44.72 46.23 2k77 s GLY 56 CO 0.10 0.46 1.82 1.48 0.00 0.00 0.00 173.10 176.95 2k77 h SER 57 N 2.00 0.50 -0.06 1.64 4.64 -1.98 -2.64 113.55 117.65 2k77 h SER 57 Ca -0.13 0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.10 2k77 h SER 57 Cb 1.16 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 2k77 h SER 57 CO 0.23 0.36 -0.21 1.05 -0.87 0.00 0.00 176.83 177.39 2k77 h GLU 58 N 0.61 0.46 -0.14 4.77 4.11 -1.97 -0.07 114.58 122.35 2k77 h GLU 58 Ca 0.20 -0.16 -0.02 0.00 0.07 0.00 0.00 59.36 59.45 2k77 h GLU 58 Cb -0.00 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k77 h GLU 58 CO -0.08 0.65 -0.01 0.87 0.07 0.00 0.00 179.01 180.51 2k77 h LYS 59 N 0.41 0.25 -0.22 1.06 1.57 -1.90 -1.36 116.57 116.37 2k77 h LYS 59 Ca 0.07 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.65 2k77 h LYS 59 Cb 0.60 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2k77 h LYS 59 CO 0.04 0.50 -0.30 0.82 -0.57 0.00 0.00 179.45 179.94 2k77 h ILE 60 N -0.03 1.32 -0.32 1.86 2.04 -1.40 -2.16 117.51 118.82 2k77 h ILE 60 Ca 0.04 -1.50 0.04 0.00 1.00 0.00 0.00 64.86 64.44 2k77 h ILE 60 Cb 0.39 1.77 -0.04 0.00 -0.74 0.00 0.00 36.82 38.20 2k77 h ILE 60 CO 0.01 0.47 0.09 -0.61 0.00 0.00 0.00 178.15 178.10 2k77 h GLN 61 N 0.28 0.21 -0.12 2.37 5.75 -1.03 -1.30 115.11 121.27 2k77 h GLN 61 Ca 0.02 -0.01 -0.00 0.00 -0.15 0.00 0.00 58.65 58.51 2k77 h GLN 61 Cb 0.88 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 29.37 2k77 h GLN 61 CO 0.07 0.14 0.05 -0.22 -2.65 0.00 0.00 178.83 176.22 2k77 h LYS 62 N 0.22 0.17 -0.23 1.69 3.64 -1.22 -1.42 116.57 119.41 2k77 h LYS 62 Ca 0.15 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.43 2k77 h LYS 62 Cb 0.14 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 31.92 2k77 h LYS 62 CO -0.17 0.24 -0.18 0.93 -2.27 0.00 0.00 179.45 178.01 2k77 h GLU 63 N 0.05 0.40 0.35 1.90 4.39 -1.24 -0.00 114.58 120.44 2k77 h GLU 63 Ca 0.04 -0.12 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2k77 h GLU 63 Cb 0.13 -0.04 0.00 0.00 -0.10 0.00 0.00 28.75 28.75 2k77 h GLU 63 CO -0.00 0.57 -0.17 0.28 -1.16 0.00 0.00 179.01 178.53 2k77 h VAL 64 N 0.37 0.65 -0.43 3.13 2.07 -1.16 -3.08 116.25 117.80 2k77 h VAL 64 Ca 0.07 -0.42 0.04 0.00 0.82 0.00 0.00 66.70 67.20 2k77 h VAL 64 Cb 0.53 0.86 -0.02 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 64 CO 0.03 0.08 0.29 -0.33 0.02 0.00 0.00 177.57 177.66 2k77 h GLU 65 N -0.72 0.41 0.00 1.57 5.08 -1.04 -0.44 114.58 119.44 2k77 h GLU 65 Ca -0.05 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.29 2k77 h GLU 65 Cb 0.50 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k77 h GLU 65 CO 0.08 0.27 0.00 0.77 -1.00 0.00 0.00 179.01 179.13 2k77 h SER 66 N 0.42 0.00 0.00 1.42 0.02 -0.99 -1.99 113.55 112.43 2k77 h SER 66 Ca 0.18 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.86 2k77 h SER 66 Cb 0.20 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.68 2k77 h SER 66 CO -0.04 0.00 -2.04 0.18 -1.14 0.00 0.00 176.83 173.79 2k77 n LEU 67 N -2.84 1.28 -0.02 5.07 4.77 -0.31 -4.80 117.00 120.15 2k77 n LEU 67 Ca -0.00 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.00 2k77 n LEU 67 Cb 0.21 -0.08 -0.13 0.00 -2.33 0.00 0.00 43.42 41.10 2k77 n LEU 67 CO 0.22 0.56 -0.73 2.30 -1.33 0.00 0.00 177.39 178.41 2k77 n ILE 68 N -2.76 0.13 -4.80 -0.08 -5.35 -0.39 -5.12 119.36 100.99 2k77 n ILE 68 Ca -0.28 -0.41 0.00 0.00 -0.27 0.00 0.00 62.75 61.79 2k77 n ILE 68 Cb 0.93 0.04 0.00 0.00 -1.74 0.00 0.00 39.64 38.87 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 1.63 -0.44 3.18 3.28 0.00 -0.75 -5.00 105.19 107.09 2k77 n GLY 69 Ca -0.06 -1.01 -0.11 0.00 0.00 0.00 0.00 46.02 44.84 2k77 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 70 N 0.00 0.94 -0.82 1.61 0.52 -1.26 -4.92 118.95 115.02 2k77 s ARG 70 Ca 0.00 -1.43 -0.02 0.00 -0.52 0.00 0.00 55.73 53.76 2k77 s ARG 70 Cb 0.00 -0.06 -0.03 0.00 0.52 0.00 0.00 34.95 35.38 2k77 s ARG 70 CO 0.00 -0.14 0.70 0.41 0.02 0.00 0.00 175.30 176.29 2k77 n GLY 71 N -0.11 -0.39 0.00 -3.53 0.00 -0.46 -4.98 105.19 95.71 2k77 n GLY 71 Ca -0.08 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.10 2k77 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k77 n GLN 72 N -3.00 1.17 -1.30 1.61 10.64 -0.04 -5.04 117.38 121.41 2k77 n GLN 72 Ca -0.13 -0.87 -0.33 0.00 -1.83 0.00 0.00 57.00 53.84 2k77 n GLN 72 Cb 0.60 -0.75 0.10 0.00 -0.86 0.00 0.00 30.24 29.33 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.83 -1.83 0.00 0.00 177.06 173.40 2k77 s GLU 73 N -0.42 2.06 -0.37 2.61 -1.05 -0.22 -4.84 118.70 116.47 2k77 s GLU 73 Ca 0.00 1.50 0.06 0.00 -0.15 0.00 0.00 54.97 56.38 2k77 s GLU 73 Cb 0.00 -1.85 0.52 0.00 -0.44 0.00 0.00 34.13 32.36 2k77 s GLU 73 CO 0.00 -1.84 1.58 -1.33 0.95 0.00 0.00 175.26 174.61 2k77 n MET 74 N -3.17 2.28 -3.56 -4.83 2.81 -1.26 -4.98 117.12 104.41 2k77 n MET 74 Ca 0.11 -3.33 -0.24 0.00 -1.81 0.00 0.00 57.70 52.43 2k77 n MET 74 Cb 0.52 -2.01 0.05 0.00 -0.71 0.00 0.00 33.22 31.06 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N -1.04 -4.60 -3.98 7.83 7.64 -1.26 -5.02 113.62 113.19 2k77 n SER 75 Ca 0.43 -0.88 -0.09 0.00 1.01 0.00 0.00 58.87 59.34 2k77 n SER 75 Cb 1.07 -4.08 -0.11 0.00 -1.01 0.00 0.00 64.21 60.09 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k77 s GLN 76 N -5.53 0.34 0.73 1.43 0.74 -1.26 -5.16 119.66 110.96 2k77 s GLN 76 Ca 0.35 -0.65 -0.15 0.00 0.05 0.00 0.00 55.36 54.96 2k77 s GLN 76 Cb -0.09 0.12 0.04 0.00 1.10 0.00 0.00 33.01 34.18 2k77 s GLN 76 CO 0.81 -0.06 1.24 0.99 -0.55 0.00 0.00 175.29 177.72 2k77 s THR 77 N -1.66 2.10 0.37 -0.34 2.01 -1.26 -4.74 115.64 112.11 2k77 s THR 77 Ca -0.14 0.05 -0.27 0.00 0.31 0.00 0.00 61.69 61.64 2k77 s THR 77 Cb -0.08 -2.70 -0.09 0.00 0.01 0.00 0.00 72.50 69.64 2k77 s THR 77 CO -0.02 -0.02 1.26 -0.63 -0.69 0.00 0.00 174.62 174.52 2k77 s ILE 78 N -1.84 2.83 0.18 1.82 1.09 -1.26 -4.87 121.20 119.14 2k77 s ILE 78 Ca 0.77 0.77 0.09 0.00 -1.10 0.00 0.00 60.65 61.18 2k77 s ILE 78 Cb -0.32 -3.47 -0.04 0.00 -1.06 0.00 0.00 42.46 37.57 2k77 s ILE 78 CO 0.45 0.14 -0.19 -1.00 -0.10 0.00 0.00 174.94 174.24 2k77 s HIS 79 N -1.24 1.91 -0.07 3.97 3.76 -1.20 -4.99 115.29 117.43 2k77 s HIS 79 Ca 0.53 -0.45 -0.19 0.00 -0.15 0.00 0.00 55.06 54.81 2k77 s HIS 79 Cb -0.37 -0.94 -0.05 0.00 1.11 0.00 0.00 32.58 32.33 2k77 s HIS 79 CO 0.48 0.38 0.51 0.71 -0.85 0.00 0.00 174.74 175.96 2k77 s TYR 80 N -2.04 3.58 0.94 1.40 1.51 -1.26 -0.78 117.35 120.70 2k77 s TYR 80 Ca 0.17 0.99 -0.11 0.00 -1.01 0.00 0.00 57.07 57.12 2k77 s TYR 80 Cb -0.06 -2.54 0.16 0.00 -0.11 0.00 0.00 41.96 39.40 2k77 s TYR 80 CO 0.07 0.27 1.11 0.95 -1.11 0.00 0.00 175.55 176.85 2k77 s THR 81 N 0.23 2.28 0.32 -0.71 -4.23 -0.42 -4.68 115.64 108.42 2k77 s THR 81 Ca 0.27 0.09 0.05 0.00 -1.18 0.00 0.00 61.69 60.93 2k77 s THR 81 Cb -0.16 -2.22 0.30 0.00 1.34 0.00 0.00 72.50 71.76 2k77 s THR 81 CO 0.13 -0.12 1.84 -0.65 -0.54 0.00 0.00 174.62 175.27 2k77 h PRO 82 N -1.87 0.81 -0.14 3.99 0.11 -1.98 0.29 132.00 133.21 2k77 h PRO 82 Ca -0.47 -0.05 -0.18 0.00 0.11 0.00 0.00 66.00 65.41 2k77 h PRO 82 Cb 1.28 -0.18 -0.00 0.00 0.11 0.00 0.00 31.00 32.20 2k77 h PRO 82 CO 0.45 0.54 -0.67 0.00 -0.21 0.00 0.00 178.00 178.11 2k77 h ARG 83 N 0.84 0.55 -0.46 1.05 3.08 -1.94 -1.52 114.38 115.97 2k77 h ARG 83 Ca 0.49 -0.40 -0.14 0.00 0.07 0.00 0.00 59.98 60.00 2k77 h ARG 83 Cb 0.66 0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.77 2k77 h ARG 83 CO -0.26 1.03 -0.26 0.00 -1.07 0.00 0.00 179.97 179.41 2k77 h ALA 84 N 0.87 0.65 -0.77 0.04 0.00 -1.62 0.30 119.26 118.75 2k77 h ALA 84 Ca -0.02 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 84 Cb 1.24 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.84 2k77 h ALA 84 CO 0.12 0.67 0.30 0.87 0.00 0.00 0.00 179.25 181.22 2k77 h LYS 85 N 0.84 1.15 -0.60 0.00 1.57 -0.97 -0.17 116.57 118.39 2k77 h LYS 85 Ca 0.10 -0.21 -0.02 0.00 -1.87 0.00 0.00 60.65 58.65 2k77 h LYS 85 Cb 0.84 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.94 2k77 h LYS 85 CO 0.07 0.93 0.30 -0.22 -0.57 0.00 0.00 179.45 179.96 2k77 h LYS 86 N 1.12 0.85 -0.49 3.15 3.64 -1.14 -2.27 116.57 121.43 2k77 h LYS 86 Ca 0.26 -0.12 0.00 0.00 -1.27 0.00 0.00 60.65 59.52 2k77 h LYS 86 Cb 0.22 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 2k77 h LYS 86 CO -0.02 0.68 0.32 0.28 -2.27 0.00 0.00 179.45 178.45 2k77 h VAL 87 N 0.81 1.13 -0.52 2.00 2.07 -0.49 -0.33 116.25 120.92 2k77 h VAL 87 Ca 0.21 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.52 2k77 h VAL 87 Cb 0.10 0.41 -0.04 0.00 -1.52 0.00 0.00 31.29 30.24 2k77 h VAL 87 CO -0.03 0.12 0.30 0.40 0.02 0.00 0.00 177.57 178.39 2k77 h ILE 88 N 0.67 1.04 -0.42 4.57 1.08 -0.85 0.24 117.51 123.84 2k77 h ILE 88 Ca 0.18 -0.21 -0.12 0.00 -0.39 0.00 0.00 64.86 64.32 2k77 h ILE 88 Cb -0.08 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.04 2k77 h ILE 88 CO -0.04 0.11 -0.22 -0.33 -0.69 0.00 0.00 178.15 176.99 2k77 h GLU 89 N 0.60 0.83 -0.20 2.37 4.39 -1.23 -1.60 114.58 119.74 2k77 h GLU 89 Ca 0.21 -0.34 -0.14 0.00 0.34 0.00 0.00 59.36 59.43 2k77 h GLU 89 Cb 0.04 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 2k77 h GLU 89 CO -0.11 0.97 -0.47 -0.07 -1.16 0.00 0.00 179.01 178.17 2k77 h LEU 90 N 0.73 0.57 -0.55 1.33 3.38 -0.71 -1.09 115.31 118.98 2k77 h LEU 90 Ca 0.10 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.75 2k77 h LEU 90 Cb 0.74 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 90 CO 0.06 0.96 0.18 0.28 0.09 0.00 0.00 178.44 180.01 2k77 h SER 91 N 0.42 0.78 -0.50 -0.43 0.02 -0.41 0.65 113.55 114.09 2k77 h SER 91 Ca 0.02 -0.20 -0.02 0.00 -0.84 0.00 0.00 61.79 60.75 2k77 h SER 91 Cb 0.99 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.30 2k77 h SER 91 CO 0.09 0.77 0.22 -0.03 -1.14 0.00 0.00 176.83 176.74 2k77 h MET 92 N 0.75 0.74 -0.15 3.45 1.85 -1.22 -1.45 114.93 118.90 2k77 h MET 92 Ca 0.18 -0.12 -0.10 0.00 -0.61 0.00 0.00 59.70 59.04 2k77 h MET 92 Cb 0.26 -0.12 -0.01 0.00 0.43 0.00 0.00 31.60 32.15 2k77 h MET 92 CO -0.01 0.64 -0.36 0.22 -0.40 0.00 0.00 176.91 177.00 2k77 h ASP 93 N 0.66 0.33 -0.46 1.39 3.58 -0.93 -0.47 116.42 120.52 2k77 h ASP 93 Ca 0.17 -0.13 -0.06 0.00 0.42 0.00 0.00 57.03 57.43 2k77 h ASP 93 Cb 0.17 -0.09 -0.02 0.00 1.72 0.00 0.00 39.33 41.11 2k77 h ASP 93 CO -0.02 0.67 0.04 -0.33 -2.88 0.00 0.00 179.24 176.72 2k77 h GLU 94 N 0.27 0.79 -0.65 0.28 4.39 -0.74 -0.23 114.58 118.68 2k77 h GLU 94 Ca 0.03 -0.23 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 2k77 h GLU 94 Cb 0.77 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.31 2k77 h GLU 94 CO 0.06 0.82 0.10 0.00 -1.16 0.00 0.00 179.01 178.84 2k77 h ALA 95 N 0.93 0.94 -0.75 3.43 0.00 -1.05 -2.35 119.26 120.41 2k77 h ALA 95 Ca 0.14 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 95 Cb 0.44 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 2k77 h ALA 95 CO 0.02 0.66 0.25 -0.09 0.00 0.00 0.00 179.25 180.08 2k77 h ARG 96 N 1.01 1.16 -0.65 0.00 2.43 -0.99 -0.79 114.38 116.55 2k77 h ARG 96 Ca 0.20 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.10 2k77 h ARG 96 Cb 0.44 -0.17 -0.03 0.00 -0.42 0.00 0.00 29.97 29.79 2k77 h ARG 96 CO 0.01 0.98 0.32 -0.22 -1.51 0.00 0.00 179.97 179.55 2k77 h LYS 97 N 1.12 0.94 0.00 0.20 3.64 -0.93 -2.88 116.57 118.66 2k77 h LYS 97 Ca 0.24 -0.14 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 2k77 h LYS 97 Cb 0.29 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2k77 h LYS 97 CO -0.01 0.75 0.00 -0.07 -2.27 0.00 0.00 179.45 177.85 2k77 h LEU 98 N 0.90 0.00 0.71 5.20 -0.00 -1.20 -3.48 115.31 117.45 2k77 h LEU 98 Ca 0.22 0.00 -0.23 0.00 -0.00 0.00 0.00 57.88 57.88 2k77 h LEU 98 Cb 0.12 0.00 0.02 0.00 -0.00 0.00 0.00 40.66 40.80 2k77 h LEU 98 CO -0.03 0.00 -0.33 0.61 -0.00 0.00 0.00 178.44 178.69 2k77 n GLY 99 N 0.97 -0.03 0.00 0.83 0.00 -0.37 -4.94 105.19 101.65 2k77 n GLY 99 Ca 0.04 -0.31 0.09 0.00 0.00 0.00 0.00 46.02 45.85 2k77 n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k77 n HIS 100 N -3.97 0.00 0.00 1.61 -0.00 -0.76 -4.90 115.22 107.19 2k77 n HIS 100 Ca -0.09 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.09 2k77 n HIS 100 Cb 0.58 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.45 2k77 n HIS 100 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2k77 n SER 101 N -0.82 0.00 -3.55 0.26 7.64 -1.26 -4.81 113.62 111.08 2k77 n SER 101 Ca 0.13 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.90 2k77 n SER 101 Cb 0.06 -0.25 -0.04 0.00 -1.01 0.00 0.00 64.21 62.97 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 -0.12 -0.35 -0.37 1.43 -0.85 -1.26 -4.77 117.35 111.05 2k77 s TYR 102 Ca 0.00 0.12 -0.29 0.00 -0.52 0.00 0.00 57.07 56.38 2k77 s TYR 102 Cb 0.00 0.38 0.02 0.00 0.38 0.00 0.00 41.96 42.73 2k77 s TYR 102 CO 0.00 -0.75 1.14 0.08 -1.52 0.00 0.00 175.55 174.51 2k77 s VAL 103 N -3.60 4.33 0.70 -3.49 1.01 0.05 -4.84 120.40 114.55 2k77 s VAL 103 Ca 0.01 1.47 -0.05 0.00 0.00 0.00 0.00 61.98 63.42 2k77 s VAL 103 Cb 0.01 -4.43 0.08 0.00 0.00 0.00 0.00 36.38 32.03 2k77 s VAL 103 CO -0.11 -0.66 0.99 -0.83 0.00 0.00 0.00 175.10 174.48 2k77 s GLY 104 N 2.18 1.74 0.26 4.51 0.00 -1.26 -1.22 107.32 113.53 2k77 s GLY 104 Ca 0.49 -1.18 -0.03 0.00 0.00 0.00 0.00 44.72 44.00 2k77 s GLY 104 CO 0.23 -0.74 1.88 -0.91 0.00 0.00 0.00 173.10 173.56 2k77 h THR 105 N -0.53 1.09 -0.62 0.90 1.35 -1.93 -1.65 112.91 111.51 2k77 h THR 105 Ca -0.42 -0.41 0.11 0.00 -0.55 0.00 0.00 66.41 65.14 2k77 h THR 105 Cb 1.30 -0.19 -0.12 0.00 -1.73 0.00 0.00 68.15 67.40 2k77 h THR 105 CO 0.53 0.22 -0.33 1.05 -0.25 0.00 0.00 175.52 176.73 2k77 h GLU 106 N 1.18 -0.14 0.00 4.72 9.09 -1.93 -1.59 114.58 125.91 2k77 h GLU 106 Ca 0.43 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.73 2k77 h GLU 106 Cb 0.16 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 2k77 h GLU 106 CO -0.17 -0.09 -0.56 0.45 0.05 0.00 0.00 179.01 178.68 2k77 h HIS 107 N -0.15 0.00 -0.21 2.06 3.86 -1.71 -1.70 115.15 117.30 2k77 h HIS 107 Ca 0.24 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2k77 h HIS 107 Cb 0.55 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2k77 h HIS 107 CO -0.65 0.56 0.13 0.82 0.86 0.00 0.00 177.93 179.65 2k77 h ILE 108 N 0.00 1.08 -0.39 2.45 2.04 -0.75 -0.14 117.51 121.79 2k77 h ILE 108 Ca -0.01 -0.20 -0.02 0.00 1.00 0.00 0.00 64.86 65.63 2k77 h ILE 108 Cb 1.15 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 2k77 h ILE 108 CO 0.07 0.08 0.15 0.25 0.00 0.00 0.00 178.15 178.70 2k77 h LEU 109 N 0.26 0.55 -1.36 1.44 5.85 -1.11 -1.41 115.31 119.52 2k77 h LEU 109 Ca 0.08 -0.18 0.07 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 109 Cb 0.02 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 40.86 2k77 h LEU 109 CO -0.01 0.58 0.49 -0.07 -0.34 0.00 0.00 178.44 179.08 2k77 h LEU 110 N 0.48 0.67 -0.45 2.25 3.38 -1.18 -1.46 115.31 119.01 2k77 h LEU 110 Ca 0.13 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 110 Cb 0.21 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2k77 h LEU 110 CO -0.01 0.42 0.20 1.23 0.09 0.00 0.00 178.44 180.38 2k77 h GLY 111 N 0.76 0.70 0.76 0.83 0.00 -0.58 -0.72 103.07 104.82 2k77 h GLY 111 Ca 0.33 -0.36 0.04 0.00 0.00 0.00 0.00 47.33 47.34 2k77 h GLY 111 CO -0.11 0.34 0.27 1.41 0.00 0.00 0.00 176.54 178.44 2k77 h LEU 112 N 0.58 0.40 -0.17 3.11 3.38 -0.26 -1.35 115.31 120.99 2k77 h LEU 112 Ca 0.15 0.02 -0.22 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 112 Cb 0.14 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 40.83 2k77 h LEU 112 CO -0.02 0.28 -0.96 0.16 0.09 0.00 0.00 178.44 177.99 2k77 h ILE 113 N 0.52 1.47 0.00 1.22 3.07 -1.34 -3.19 117.51 119.25 2k77 h ILE 113 Ca 0.22 -2.64 -0.06 0.00 1.55 0.00 0.00 64.86 63.93 2k77 h ILE 113 Cb 0.11 2.53 -0.01 0.00 -0.27 0.00 0.00 36.82 39.17 2k77 h ILE 113 CO -0.14 0.78 -0.31 -0.09 -1.05 0.00 0.00 178.15 177.34 2k77 h ARG 114 N 0.15 0.00 -0.07 0.16 2.43 -0.96 -2.77 114.38 113.32 2k77 h ARG 114 Ca -0.07 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.09 2k77 h ARG 114 Cb 1.61 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 31.15 2k77 h ARG 114 CO 0.15 0.31 0.01 1.49 -1.51 0.00 0.00 179.97 180.42 2k77 h GLU 115 N 0.00 0.11 0.00 0.20 4.22 -1.29 -3.48 114.58 114.35 2k77 h GLU 115 Ca -0.00 -0.03 0.00 0.00 0.08 0.00 0.00 59.36 59.40 2k77 h GLU 115 Cb 0.71 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.95 2k77 h GLU 115 CO 0.04 0.36 0.00 0.41 -2.18 0.00 0.00 179.01 177.64 2k77 n GLY 116 N -0.34 0.91 0.04 1.92 0.00 -1.05 -4.76 105.19 101.91 2k77 n GLY 116 Ca -0.07 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.91 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 -2.00 1.26 -0.73 1.61 2.13 -1.26 -4.84 120.64 116.81 2k77 n GLU 117 Ca 0.00 0.03 -0.29 0.00 0.66 0.00 0.00 57.16 57.56 2k77 n GLU 117 Cb 0.00 -1.16 0.21 0.00 0.27 0.00 0.00 31.44 30.77 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 118 N -4.38 1.58 0.38 8.31 0.00 -1.26 -4.76 107.32 107.19 2k77 s GLY 118 Ca -0.08 -0.02 0.08 0.00 0.00 0.00 0.00 44.72 44.70 2k77 s GLY 118 CO 0.21 0.60 1.96 -2.08 0.00 0.00 0.00 173.10 173.79 2k77 h VAL 119 N -2.28 0.99 -0.40 1.40 2.07 -1.97 -2.40 116.25 113.65 2k77 h VAL 119 Ca -0.56 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 66.76 2k77 h VAL 119 Cb 1.32 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.30 2k77 h VAL 119 CO 0.50 0.12 0.19 0.00 0.02 0.00 0.00 177.57 178.40 2k77 h ALA 120 N 1.63 0.49 -0.41 1.67 0.00 -1.92 0.74 119.26 121.46 2k77 h ALA 120 Ca 0.31 0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.16 2k77 h ALA 120 Cb 0.33 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 2k77 h ALA 120 CO -0.10 -0.18 -0.08 0.00 0.00 0.00 0.00 179.25 178.89 2k77 h ALA 121 N 1.22 1.10 -0.24 0.00 0.00 -1.64 -2.48 119.26 117.22 2k77 h ALA 121 Ca 0.17 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 121 Cb 0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 2k77 h ALA 121 CO -0.13 0.56 0.15 -0.09 0.00 0.00 0.00 179.25 179.74 2k77 h ARG 122 N 0.64 0.32 -0.26 0.00 9.65 -0.92 -2.16 114.38 121.65 2k77 h ARG 122 Ca 0.12 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.97 2k77 h ARG 122 Cb 0.52 -0.07 -0.01 0.00 -1.39 0.00 0.00 29.97 29.01 2k77 h ARG 122 CO 0.03 0.23 0.14 0.28 2.80 0.00 0.00 179.97 183.45 2k77 h VAL 123 N 0.31 1.13 -0.71 0.20 2.07 -0.79 -0.52 116.25 117.94 2k77 h VAL 123 Ca 0.09 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 2k77 h VAL 123 Cb -0.01 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 2k77 h VAL 123 CO -0.02 0.12 0.43 -0.07 0.02 0.00 0.00 177.57 178.05 2k77 h LEU 124 N 0.31 0.85 -0.85 2.57 3.38 -1.39 -1.13 115.31 119.04 2k77 h LEU 124 Ca 0.09 -0.06 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 124 Cb 0.07 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2k77 h LEU 124 CO -0.01 0.66 -0.30 0.78 0.09 0.00 0.00 178.44 179.66 2k77 h ASN 125 N 0.96 0.52 -0.62 -0.43 2.35 -1.18 0.55 115.58 117.74 2k77 h ASN 125 Ca 0.25 -0.19 -0.06 0.00 -0.55 0.00 0.00 56.30 55.75 2k77 h ASN 125 Cb -0.03 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.17 2k77 h ASN 125 CO -0.05 0.79 0.16 0.78 -1.65 0.00 0.00 177.43 177.47 2k77 h ASN 126 N 0.44 0.93 0.67 5.81 4.21 -0.67 -3.14 115.58 123.82 2k77 h ASN 126 Ca 0.06 -0.23 -0.16 0.00 1.21 0.00 0.00 56.30 57.18 2k77 h ASN 126 Cb 0.74 -0.24 -0.02 0.00 -1.12 0.00 0.00 38.32 37.68 2k77 h ASN 126 CO 0.06 0.91 -0.75 -0.07 -1.29 0.00 0.00 177.43 176.28 2k77 h LEU 127 N 0.90 0.08 0.00 1.61 3.38 -1.05 -3.48 115.31 116.75 2k77 h LEU 127 Ca 0.20 -0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2k77 h LEU 127 Cb 0.34 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2k77 h LEU 127 CO -0.00 0.80 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2k77 n GLY 128 N 0.62 0.68 3.80 0.83 0.00 -0.25 -5.10 105.19 105.76 2k77 n GLY 128 Ca -0.02 0.00 -0.37 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 -1.53 4.40 0.33 1.61 1.01 0.02 -4.95 120.40 121.30 2k77 s VAL 129 Ca 0.00 1.54 0.10 0.00 0.00 0.00 0.00 61.98 63.62 2k77 s VAL 129 Cb 0.00 -3.93 -0.06 0.00 0.00 0.00 0.00 36.38 32.38 2k77 s VAL 129 CO 0.00 0.18 -0.11 -0.94 0.00 0.00 0.00 175.10 174.23 2k77 s SER 130 N -1.62 3.69 0.33 3.32 1.04 -1.26 -3.29 113.70 115.90 2k77 s SER 130 Ca 0.46 -1.17 0.07 0.00 0.48 0.00 0.00 55.95 55.80 2k77 s SER 130 Cb -0.18 -0.34 0.77 0.00 0.10 0.00 0.00 66.02 66.37 2k77 s SER 130 CO 0.22 -0.16 1.82 0.25 0.98 0.00 0.00 173.24 176.35 2k77 h LEU 131 N 2.07 0.74 0.04 2.42 6.46 -1.99 -1.32 115.31 123.73 2k77 h LEU 131 Ca -0.42 0.07 -0.09 0.00 -0.12 0.00 0.00 57.88 57.32 2k77 h LEU 131 Cb 1.25 -0.07 0.01 0.00 -0.73 0.00 0.00 40.66 41.12 2k77 h LEU 131 CO 0.68 0.32 -0.38 -1.13 -0.62 0.00 0.00 178.44 177.31 2k77 h ASN 132 N 0.75 0.27 -0.62 1.25 -0.73 -1.98 -2.08 115.58 112.43 2k77 h ASN 132 Ca 0.52 -0.88 -0.09 0.00 1.87 0.00 0.00 56.30 57.73 2k77 h ASN 132 Cb 0.82 -0.08 -0.02 0.00 0.27 0.00 0.00 38.32 39.30 2k77 h ASN 132 CO -0.29 1.12 0.06 0.11 -0.37 0.00 0.00 177.43 178.05 2k77 h LYS 133 N -0.55 1.07 -0.34 6.67 1.57 -1.93 -0.86 116.57 122.20 2k77 h LYS 133 Ca -0.06 -0.31 -0.08 0.00 -1.87 0.00 0.00 60.65 58.33 2k77 h LYS 133 Cb 1.21 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 33.40 2k77 h LYS 133 CO 0.07 1.01 -0.11 0.00 -0.57 0.00 0.00 179.45 179.86 2k77 h ALA 134 N 1.06 0.48 -0.21 3.86 0.00 -1.38 -2.18 119.26 120.88 2k77 h ALA 134 Ca 0.19 -0.31 0.05 0.00 0.00 0.00 0.00 54.91 54.84 2k77 h ALA 134 Cb 0.49 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.11 2k77 h ALA 134 CO 0.02 0.34 -0.13 0.00 0.00 0.00 0.00 179.25 179.48 2k77 h ARG 135 N 0.46 -0.11 -0.73 0.00 3.08 -1.11 -0.78 114.38 115.19 2k77 h ARG 135 Ca 0.08 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.15 2k77 h ARG 135 Cb 0.62 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.66 2k77 h ARG 135 CO 0.04 -0.08 0.48 1.96 -1.07 0.00 0.00 179.97 181.30 2k77 h GLN 136 N -0.12 0.97 -0.30 0.04 4.20 -1.10 0.28 115.11 119.09 2k77 h GLN 136 Ca 0.12 -0.06 -0.16 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 136 Cb 0.30 -0.22 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 2k77 h GLN 136 CO -0.29 0.65 -0.44 1.96 -0.67 0.00 0.00 178.83 180.05 2k77 h GLN 137 N 1.00 0.82 -0.29 1.46 1.08 -1.16 -2.10 115.11 115.93 2k77 h GLN 137 Ca 0.27 -0.49 -0.10 0.00 -1.45 0.00 0.00 58.65 56.88 2k77 h GLN 137 Cb -0.10 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.37 2k77 h GLN 137 CO -0.06 1.12 -0.21 0.28 -0.95 0.00 0.00 178.83 179.02 2k77 h VAL 138 N 0.60 1.30 0.00 -0.54 2.07 -0.99 -0.25 116.25 118.44 2k77 h VAL 138 Ca 0.03 -1.35 -0.03 0.00 0.82 0.00 0.00 66.70 66.17 2k77 h VAL 138 Cb 1.04 1.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 2k77 h VAL 138 CO 0.10 0.43 -0.16 -0.07 0.02 0.00 0.00 177.57 177.89 2k77 h LEU 139 N 0.39 0.00 0.00 2.57 3.38 -0.99 -2.05 115.31 118.61 2k77 h LEU 139 Ca 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 139 Cb 0.75 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.50 2k77 h LEU 139 CO 0.06 0.16 -0.04 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 -1.29 -3.40 115.11 115.74 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 0.54 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.32 2k77 h GLN 140 CO 0.02 0.70 0.00 1.25 -0.67 0.00 0.00 178.83 180.13 2k77 h LEU 141 N -1.00 0.00 0.00 1.46 5.85 -0.86 -0.36 115.31 120.40 2k77 h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 141 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k77 h LEU 141 CO -0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.09 2k77 n LEU 142 N -3.02 0.00 0.00 2.25 -0.00 -0.79 -4.66 117.00 110.78 2k77 n LEU 142 Ca 0.01 0.32 0.00 0.00 -0.00 0.00 0.00 56.01 56.34 2k77 n LEU 142 Cb 0.30 -0.32 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2k77 n LEU 142 CO 0.26 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 178.02 2k77 n GLY 143 N -0.70 0.28 0.06 1.47 0.00 -1.18 -5.03 105.19 100.10 2k77 n GLY 143 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.18 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 0.64 0.00 1.61 7.64 -0.51 -5.13 113.62 117.87 2k77 n SER 144 Ca 0.00 0.24 0.00 0.00 1.01 0.00 0.00 58.87 60.12 2k77 n SER 144 Cb 0.00 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.04 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83