#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 n MET 2 N 0.00 -1.86 -1.38 2.12 -0.00 -1.26 -4.42 117.12 110.32 2k77 n MET 2 Ca 0.00 1.28 -0.28 0.00 -0.00 0.00 0.00 57.70 58.70 2k77 n MET 2 Cb 0.00 -2.31 -0.08 0.00 -0.00 0.00 0.00 33.22 30.83 2k77 n MET 2 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 175.97 177.16 2k77 n PHE 3 N -3.01 1.50 0.06 3.17 3.72 -1.26 -4.80 117.46 116.84 2k77 n PHE 3 Ca -0.00 -2.29 0.00 0.00 -0.05 0.00 0.00 57.45 55.11 2k77 n PHE 3 Cb 0.61 -1.85 0.00 0.00 -0.94 0.00 0.00 39.48 37.30 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k77 n GLY 4 N 2.31 1.56 2.94 1.37 0.00 -1.26 -4.45 105.19 107.66 2k77 n GLY 4 Ca 0.58 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.50 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 0.60 0.20 0.11 1.61 1.81 -1.26 -5.10 118.95 116.92 2k77 s ARG 5 Ca 0.00 -0.37 0.11 0.00 -1.72 0.00 0.00 55.73 53.75 2k77 s ARG 5 Cb 0.00 0.07 -0.04 0.00 -0.45 0.00 0.00 34.95 34.53 2k77 s ARG 5 CO 0.00 -0.03 -0.27 -0.06 -0.68 0.00 0.00 175.30 174.26 2k77 s PHE 6 N -0.90 2.32 1.00 -0.53 0.40 -1.26 -0.72 117.98 118.28 2k77 s PHE 6 Ca -0.10 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.73 2k77 s PHE 6 Cb -0.06 -1.28 0.19 0.00 0.51 0.00 0.00 43.02 42.38 2k77 s PHE 6 CO -0.01 0.30 1.08 0.95 0.70 0.00 0.00 175.22 178.25 2k77 s THR 7 N -1.02 2.29 0.23 0.64 -4.23 -0.40 -4.72 115.64 108.42 2k77 s THR 7 Ca 0.14 0.09 -0.08 0.00 -1.18 0.00 0.00 61.69 60.66 2k77 s THR 7 Cb -0.10 -2.33 0.19 0.00 1.34 0.00 0.00 72.50 71.61 2k77 s THR 7 CO 0.05 -0.12 1.89 -0.08 -0.54 0.00 0.00 174.62 175.82 2k77 h GLU 8 N -2.00 1.09 -0.70 3.99 4.81 -1.99 0.19 114.58 119.97 2k77 h GLU 8 Ca -0.52 -0.07 -0.02 0.00 -0.13 0.00 0.00 59.36 58.62 2k77 h GLU 8 Cb 1.30 -0.25 -0.03 0.00 0.63 0.00 0.00 28.75 30.40 2k77 h GLU 8 CO 0.50 0.72 0.34 0.00 -0.73 0.00 0.00 179.01 179.84 2k77 h ARG 9 N 1.12 1.00 -0.38 1.92 2.47 -1.97 -1.45 114.38 117.09 2k77 h ARG 9 Ca 0.32 -0.15 -0.16 0.00 -1.26 0.00 0.00 59.98 58.73 2k77 h ARG 9 Cb -0.09 -0.18 -0.01 0.00 -1.65 0.00 0.00 29.97 28.04 2k77 h ARG 9 CO -0.08 0.79 -0.39 0.00 0.56 0.00 0.00 179.97 180.85 2k77 h ALA 10 N 1.16 0.56 -0.96 0.04 0.00 -1.75 -1.78 119.26 116.54 2k77 h ALA 10 Ca 0.24 -0.46 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 10 Cb 0.11 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.74 2k77 h ALA 10 CO -0.03 0.67 0.63 1.96 0.00 0.00 0.00 179.25 182.48 2k77 h GLN 11 N 0.75 1.25 -0.74 0.00 4.20 -0.91 -2.00 115.11 117.67 2k77 h GLN 11 Ca 0.06 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.67 2k77 h GLN 11 Cb 0.98 -0.28 -0.03 0.00 0.30 0.00 0.00 27.48 28.45 2k77 h GLN 11 CO 0.10 0.83 0.38 0.87 -0.67 0.00 0.00 178.83 180.34 2k77 h LYS 12 N 1.29 1.05 -0.34 1.46 1.57 -0.95 -0.89 116.57 119.76 2k77 h LYS 12 Ca 0.36 -0.14 -0.08 0.00 -1.87 0.00 0.00 60.65 58.92 2k77 h LYS 12 Cb -0.13 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 2k77 h LYS 12 CO -0.08 0.80 -0.11 -0.39 -0.57 0.00 0.00 179.45 179.09 2k77 h VAL 13 N 1.03 1.24 -0.05 0.50 -1.51 -0.85 0.59 116.25 117.20 2k77 h VAL 13 Ca 0.26 -1.05 -0.15 0.00 -1.23 0.00 0.00 66.70 64.52 2k77 h VAL 13 Cb 0.07 1.10 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 2k77 h VAL 13 CO -0.04 0.35 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.93 2k77 h LEU 14 N 0.53 0.23 -0.44 4.19 3.38 -1.18 0.17 115.31 122.20 2k77 h LEU 14 Ca 0.10 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.76 2k77 h LEU 14 Cb 0.51 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.19 2k77 h LEU 14 CO 0.03 0.82 -0.42 0.00 0.09 0.00 0.00 178.44 178.96 2k77 h ALA 15 N 1.18 0.62 0.00 1.53 0.00 -0.82 -3.14 119.26 118.62 2k77 h ALA 15 Ca -0.01 -0.47 -0.06 0.00 0.00 0.00 0.00 54.91 54.37 2k77 h ALA 15 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k77 h ALA 15 CO 0.10 0.67 -0.28 -0.07 0.00 0.00 0.00 179.25 179.68 2k77 h LEU 16 N 0.68 0.00 -1.22 0.00 3.38 -0.80 -2.81 115.31 114.54 2k77 h LEU 16 Ca 0.05 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 16 Cb 1.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.73 2k77 h LEU 16 CO 0.10 0.28 0.02 0.00 0.09 0.00 0.00 178.44 178.92 2k77 h ALA 17 N 1.72 1.37 -0.37 1.53 0.00 -0.91 0.45 119.26 123.05 2k77 h ALA 17 Ca -0.00 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 17 Cb 0.92 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 2k77 h ALA 17 CO 0.04 0.44 -0.19 0.37 0.00 0.00 0.00 179.25 179.91 2k77 h GLN 18 N 0.53 0.78 -0.31 0.00 4.15 -1.46 -1.09 115.11 117.70 2k77 h GLN 18 Ca 0.12 -0.34 -0.02 0.00 0.77 0.00 0.00 58.65 59.18 2k77 h GLN 18 Cb 0.31 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.97 2k77 h GLN 18 CO 0.01 0.96 0.13 1.49 -1.93 0.00 0.00 178.83 179.49 2k77 h GLU 19 N 0.57 0.46 -0.09 1.69 4.81 -1.32 -1.08 114.58 119.62 2k77 h GLU 19 Ca 0.08 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 59.16 2k77 h GLU 19 Cb 0.73 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 2k77 h GLU 19 CO 0.06 0.47 -0.28 0.93 -0.73 0.00 0.00 179.01 179.45 2k77 h GLU 20 N 0.36 0.17 0.31 1.92 4.39 -0.93 -0.40 114.58 120.40 2k77 h GLU 20 Ca 0.10 -0.06 -0.02 0.00 0.34 0.00 0.00 59.36 59.73 2k77 h GLU 20 Cb 0.17 -0.01 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 2k77 h GLU 20 CO -0.01 0.44 -0.15 0.00 -1.16 0.00 0.00 179.01 178.13 2k77 h ALA 21 N 1.56 -0.42 -0.63 3.43 0.00 -1.07 -3.22 119.26 118.92 2k77 h ALA 21 Ca 0.02 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 21 Cb 0.59 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 2k77 h ALA 21 CO 0.04 -0.59 0.06 -0.07 0.00 0.00 0.00 179.25 178.69 2k77 h LEU 22 N -0.71 1.02 -1.89 0.00 3.38 -0.92 0.45 115.31 116.64 2k77 h LEU 22 Ca -0.04 -0.26 -0.00 0.00 0.09 0.00 0.00 57.88 57.66 2k77 h LEU 22 Cb 0.49 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 22 CO 0.07 1.04 -0.02 0.08 0.09 0.00 0.00 178.44 179.70 2k77 h ARG 23 N 0.98 0.00 -0.21 1.13 -0.00 -1.22 -1.86 114.38 113.20 2k77 h ARG 23 Ca 0.19 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.17 2k77 h ARG 23 Cb 0.48 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.45 2k77 h ARG 23 CO 0.02 0.02 0.00 -0.11 -0.00 0.00 0.00 179.97 179.90 2k77 n LEU 24 N -3.15 3.00 0.00 0.08 7.94 -0.89 -4.98 117.00 118.99 2k77 n LEU 24 Ca -0.01 -1.17 0.00 0.00 -1.11 0.00 0.00 56.01 53.73 2k77 n LEU 24 Cb 0.24 -0.13 0.00 0.00 0.53 0.00 0.00 43.42 44.07 2k77 n LEU 24 CO 0.26 0.58 0.00 0.61 -1.11 0.00 0.00 177.39 177.73 2k77 n GLY 25 N 1.39 0.62 3.68 -3.96 0.00 -0.70 -2.84 105.19 103.39 2k77 n GLY 25 Ca 0.17 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.78 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 -2.44 3.49 -0.26 1.61 3.76 0.10 -0.77 115.29 120.77 2k77 s HIS 26 Ca 0.00 1.37 0.02 0.00 -0.15 0.00 0.00 55.06 56.30 2k77 s HIS 26 Cb 0.00 -3.03 0.36 0.00 1.11 0.00 0.00 32.58 31.02 2k77 s HIS 26 CO 0.00 -0.17 1.48 0.27 -0.85 0.00 0.00 174.74 175.48 2k77 n ASN 27 N 4.84 3.41 -3.67 1.40 6.94 -1.26 -3.17 115.26 123.75 2k77 n ASN 27 Ca 0.05 -2.85 -0.15 0.00 -0.02 0.00 0.00 54.58 51.60 2k77 n ASN 27 Cb 0.49 -0.68 -0.08 0.00 -2.36 0.00 0.00 39.78 37.16 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 -0.25 -0.37 -0.26 0.53 4.22 -1.26 -2.99 114.94 114.56 2k77 s ASN 28 Ca 0.31 0.31 -0.06 0.00 -2.14 0.00 0.00 52.86 51.28 2k77 s ASN 28 Cb 0.26 0.40 -0.00 0.00 1.28 0.00 0.00 41.25 43.19 2k77 s ASN 28 CO 0.06 -0.52 0.03 -0.63 -2.04 0.00 0.00 177.10 174.01 2k77 s ILE 29 N -1.33 3.78 0.39 0.54 1.01 0.08 -4.79 121.20 120.88 2k77 s ILE 29 Ca -0.12 -0.58 0.06 0.00 0.00 0.00 0.00 60.65 60.01 2k77 s ILE 29 Cb -0.03 -2.86 0.06 0.00 0.01 0.00 0.00 42.46 39.64 2k77 s ILE 29 CO 0.06 0.22 0.52 0.61 0.00 0.00 0.00 174.94 176.36 2k77 n GLY 30 N 4.84 2.03 0.34 6.18 0.00 -1.26 -1.50 105.19 115.82 2k77 n GLY 30 Ca -0.16 -2.20 0.02 0.00 0.00 0.00 0.00 46.02 43.68 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 0.12 1.06 -0.59 2.61 1.35 -1.93 -1.93 112.91 113.60 2k77 h THR 31 Ca -0.19 -0.36 0.12 0.00 -0.55 0.00 0.00 66.41 65.43 2k77 h THR 31 Cb 0.85 -0.10 -0.10 0.00 -1.73 0.00 0.00 68.15 67.08 2k77 h THR 31 CO 0.27 0.19 -0.04 1.05 -0.25 0.00 0.00 175.52 176.75 2k77 h GLU 32 N 1.06 0.08 -0.02 4.72 9.09 -1.94 -0.72 114.58 126.87 2k77 h GLU 32 Ca 0.40 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.64 2k77 h GLU 32 Cb 0.18 -0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.24 2k77 h GLU 32 CO -0.18 0.05 -0.74 0.45 0.05 0.00 0.00 179.01 178.65 2k77 h HIS 33 N 0.08 0.17 -0.47 2.06 3.86 -1.72 -0.45 115.15 118.68 2k77 h HIS 33 Ca 0.30 -0.08 -0.13 0.00 -1.16 0.00 0.00 60.37 59.29 2k77 h HIS 33 Cb 0.48 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.91 2k77 h HIS 33 CO -0.39 0.82 -0.23 0.82 0.86 0.00 0.00 177.93 179.81 2k77 h ILE 34 N 0.08 1.27 -0.45 2.45 2.04 -1.15 0.61 117.51 122.36 2k77 h ILE 34 Ca -0.02 -1.40 -0.02 0.00 1.00 0.00 0.00 64.86 64.42 2k77 h ILE 34 Cb 1.30 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.51 2k77 h ILE 34 CO 0.11 0.48 0.20 0.25 0.00 0.00 0.00 178.15 179.19 2k77 h LEU 35 N 0.85 0.61 -0.81 1.44 5.85 -0.92 -0.79 115.31 121.54 2k77 h LEU 35 Ca 0.11 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2k77 h LEU 35 Cb 0.81 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.63 2k77 h LEU 35 CO 0.07 0.58 0.49 -0.07 -0.34 0.00 0.00 178.44 179.17 2k77 h LEU 36 N 0.59 0.75 -0.59 2.25 4.07 -1.01 -2.26 115.31 119.12 2k77 h LEU 36 Ca 0.15 0.02 0.06 0.00 0.08 0.00 0.00 57.88 58.20 2k77 h LEU 36 Cb 0.15 -0.13 -0.06 0.00 1.08 0.00 0.00 40.66 41.71 2k77 h LEU 36 CO -0.02 0.48 0.29 1.23 -1.08 0.00 0.00 178.44 179.34 2k77 h GLY 37 N 0.88 0.85 0.77 0.83 0.00 -0.30 0.11 103.07 106.21 2k77 h GLY 37 Ca 0.36 -0.19 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2k77 h GLY 37 CO -0.18 0.09 -0.24 1.41 0.00 0.00 0.00 176.54 177.62 2k77 h LEU 38 N 0.54 -0.64 -0.87 3.11 3.38 -0.63 -1.60 115.31 118.61 2k77 h LEU 38 Ca 0.27 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.27 2k77 h LEU 38 Cb 0.22 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 38 CO -0.20 -0.36 -0.14 -0.37 0.09 0.00 0.00 178.44 177.45 2k77 h VAL 39 N -0.55 0.31 -0.06 1.22 -1.51 -1.25 -1.28 116.25 113.15 2k77 h VAL 39 Ca -0.02 -1.04 -0.13 0.00 -1.23 0.00 0.00 66.70 64.28 2k77 h VAL 39 Cb 0.49 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.45 2k77 h VAL 39 CO -0.03 0.14 -0.57 -0.09 -1.23 0.00 0.00 177.57 175.80 2k77 h ARG 40 N 0.00 0.17 -0.13 5.19 9.65 -0.68 -3.08 114.38 125.51 2k77 h ARG 40 Ca -0.00 -0.11 -0.14 0.00 -1.10 0.00 0.00 59.98 58.63 2k77 h ARG 40 Cb 0.80 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.40 2k77 h ARG 40 CO 0.02 0.69 -0.46 1.49 2.80 0.00 0.00 179.97 184.51 2k77 h GLU 41 N 0.13 0.54 0.00 0.20 4.57 -0.98 -3.47 114.58 115.57 2k77 h GLU 41 Ca -0.00 -0.41 0.00 0.00 -1.18 0.00 0.00 59.36 57.77 2k77 h GLU 41 Cb 1.04 0.07 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 2k77 h GLU 41 CO 0.08 1.03 0.00 0.41 -1.18 0.00 0.00 179.01 179.35 2k77 n GLY 42 N 0.62 1.37 0.01 1.92 0.00 -0.51 -4.55 105.19 104.03 2k77 n GLY 42 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 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 -0.81 0.49 -1.32 1.61 1.02 -1.26 -4.33 120.64 116.05 2k77 n GLU 43 Ca 0.00 -0.11 -0.34 0.00 -0.02 0.00 0.00 57.16 56.69 2k77 n GLU 43 Cb 0.00 -1.48 0.11 0.00 -0.02 0.00 0.00 31.44 30.04 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 -3.80 2.28 0.25 0.62 0.00 -1.26 -4.75 107.32 100.65 2k77 s GLY 44 Ca -0.01 0.86 -0.04 0.00 0.00 0.00 0.00 44.72 45.53 2k77 s GLY 44 CO 0.86 1.28 1.80 -2.22 0.00 0.00 0.00 173.10 174.81 2k77 h ILE 45 N -0.52 0.87 -0.32 0.90 1.08 -1.94 -0.60 117.51 116.97 2k77 h ILE 45 Ca -0.47 -0.25 -0.02 0.00 -0.39 0.00 0.00 64.86 63.72 2k77 h ILE 45 Cb 1.30 0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.10 2k77 h ILE 45 CO 0.48 0.14 0.12 0.00 -0.69 0.00 0.00 178.15 178.20 2k77 h ALA 46 N 1.47 0.42 -0.74 1.87 0.00 -1.90 0.11 119.26 120.49 2k77 h ALA 46 Ca 0.40 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.11 2k77 h ALA 46 Cb 0.41 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2k77 h ALA 46 CO -0.27 0.04 0.23 0.00 0.00 0.00 0.00 179.25 179.26 2k77 h ALA 47 N 0.96 1.02 0.00 0.00 0.00 -1.63 -1.04 119.26 118.56 2k77 h ALA 47 Ca 0.11 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 47 Cb 0.21 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 2k77 h ALA 47 CO -0.01 0.66 -0.36 -0.22 0.00 0.00 0.00 179.25 179.33 2k77 h LYS 48 N 1.10 0.00 -0.38 0.00 3.64 -1.04 -1.10 116.57 118.79 2k77 h LYS 48 Ca 0.24 0.00 -0.15 0.00 -1.27 0.00 0.00 60.65 59.47 2k77 h LYS 48 Cb 0.30 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2k77 h LYS 48 CO -0.01 0.36 -0.36 0.00 -2.27 0.00 0.00 179.45 177.17 2k77 h ALA 49 N 1.64 0.55 -0.30 5.00 0.00 -0.53 0.06 119.26 125.68 2k77 h ALA 49 Ca -0.00 -0.44 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k77 h ALA 49 Cb 0.89 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2k77 h ALA 49 CO 0.05 0.64 0.19 -0.07 0.00 0.00 0.00 179.25 180.05 2k77 h LEU 50 N 0.72 0.36 -0.93 0.00 3.38 -0.92 -2.07 115.31 115.86 2k77 h LEU 50 Ca 0.06 -0.05 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 50 Cb 0.95 -0.09 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 2k77 h LEU 50 CO 0.09 0.30 0.46 1.56 0.09 0.00 0.00 178.44 180.95 2k77 h GLN 51 N 0.39 1.22 -0.20 1.13 4.20 -1.17 -2.37 115.11 118.30 2k77 h GLN 51 Ca 0.11 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 51 Cb 0.00 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.54 2k77 h GLN 51 CO -0.02 0.90 -0.14 0.00 -0.67 0.00 0.00 178.83 178.90 2k77 h ALA 52 N 1.29 1.39 0.00 3.87 0.00 -0.77 -1.55 119.26 123.49 2k77 h ALA 52 Ca 0.30 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2k77 h ALA 52 Cb 0.05 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2k77 h ALA 52 CO -0.05 0.42 0.00 1.28 0.00 0.00 0.00 179.25 180.90 2k77 n LEU 53 N -4.23 0.00 0.00 0.00 4.77 -0.79 -4.87 117.00 111.87 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 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 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 0.27 0.71 0.99 -0.72 0.00 -0.58 -4.98 105.19 100.88 2k77 n GLY 54 Ca 0.04 0.00 -0.07 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 -3.58 0.99 4.77 -0.92 -5.00 117.00 113.26 2k77 n LEU 55 Ca 0.00 -0.45 -0.06 0.00 -0.03 0.00 0.00 56.01 55.47 2k77 n LEU 55 Cb 0.00 -0.22 -0.03 0.00 -2.33 0.00 0.00 43.42 40.84 2k77 n LEU 55 CO 0.00 -0.69 0.91 -0.83 -1.33 0.00 0.00 177.39 175.45 2k77 s GLY 56 N -3.45 -0.27 0.16 -0.72 0.00 -1.26 -4.34 107.32 97.43 2k77 s GLY 56 Ca 0.18 1.75 -0.16 0.00 0.00 0.00 0.00 44.72 46.50 2k77 s GLY 56 CO 0.13 0.69 1.74 1.76 0.00 0.00 0.00 173.10 177.42 2k77 h SER 57 N 2.14 0.09 -0.52 1.64 0.02 -1.97 -2.57 113.55 112.38 2k77 h SER 57 Ca -0.14 0.05 0.02 0.00 -0.84 0.00 0.00 61.79 60.89 2k77 h SER 57 Cb 1.18 0.05 -0.03 0.00 0.14 0.00 0.00 62.40 63.74 2k77 h SER 57 CO 0.26 0.09 0.31 -0.08 -1.14 0.00 0.00 176.83 176.27 2k77 h GLU 58 N 0.25 0.59 -0.48 3.45 4.57 -1.98 -0.25 114.58 120.73 2k77 h GLU 58 Ca 0.17 -0.04 -0.03 0.00 -1.18 0.00 0.00 59.36 58.29 2k77 h GLU 58 Cb 0.17 -0.13 -0.02 0.00 -0.16 0.00 0.00 28.75 28.61 2k77 h GLU 58 CO -0.20 0.39 0.19 0.87 -1.18 0.00 0.00 179.01 179.08 2k77 h LYS 59 N 0.61 0.72 -0.13 1.92 1.79 -1.90 -0.50 116.57 119.08 2k77 h LYS 59 Ca 0.21 -0.13 -0.02 0.00 -2.18 0.00 0.00 60.65 58.53 2k77 h LYS 59 Cb 0.02 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.55 2k77 h LYS 59 CO -0.10 0.65 0.02 0.82 -1.08 0.00 0.00 179.45 179.77 2k77 h ILE 60 N 0.64 1.21 -0.65 1.86 2.04 -1.23 -2.71 117.51 118.67 2k77 h ILE 60 Ca 0.16 -0.68 -0.09 0.00 1.00 0.00 0.00 64.86 65.25 2k77 h ILE 60 Cb 0.20 1.42 -0.02 0.00 -0.74 0.00 0.00 36.82 37.67 2k77 h ILE 60 CO -0.01 0.20 0.07 1.56 0.00 0.00 0.00 178.15 179.96 2k77 h GLN 61 N -0.00 1.11 -0.45 2.37 4.20 -0.86 -1.51 115.11 119.97 2k77 h GLN 61 Ca 0.04 -0.32 -0.11 0.00 0.06 0.00 0.00 58.65 58.32 2k77 h GLN 61 Cb 0.29 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.93 2k77 h GLN 61 CO 0.00 1.04 -0.17 0.87 -0.67 0.00 0.00 178.83 179.90 2k77 h LYS 62 N 1.03 0.85 -0.14 1.46 1.79 -1.13 -1.03 116.57 119.39 2k77 h LYS 62 Ca 0.19 -0.32 -0.13 0.00 -2.18 0.00 0.00 60.65 58.21 2k77 h LYS 62 Cb 0.49 -0.05 -0.01 0.00 -1.58 0.00 0.00 32.23 31.08 2k77 h LYS 62 CO 0.02 0.96 -0.46 0.93 -1.08 0.00 0.00 179.45 179.82 2k77 h GLU 63 N 0.75 0.36 0.31 3.15 4.39 -1.29 -1.15 114.58 121.10 2k77 h GLU 63 Ca 0.11 -0.19 -0.02 0.00 0.34 0.00 0.00 59.36 59.60 2k77 h GLU 63 Cb 0.69 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.35 2k77 h GLU 63 CO 0.05 0.75 -0.15 0.28 -1.16 0.00 0.00 179.01 178.78 2k77 h VAL 64 N 0.29 0.71 -0.52 3.13 2.07 -1.16 -3.02 116.25 117.76 2k77 h VAL 64 Ca 0.02 -0.17 0.02 0.00 0.82 0.00 0.00 66.70 67.39 2k77 h VAL 64 Cb 0.93 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.48 2k77 h VAL 64 CO 0.08 0.04 0.34 -0.33 0.02 0.00 0.00 177.57 177.72 2k77 h GLU 65 N -0.51 0.61 0.00 1.57 5.08 -1.09 -0.34 114.58 119.90 2k77 h GLU 65 Ca -0.04 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2k77 h GLU 65 Cb 0.38 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.49 2k77 h GLU 65 CO 0.07 0.40 0.00 0.77 -1.00 0.00 0.00 179.01 179.25 2k77 h SER 66 N 0.62 0.00 0.00 1.42 0.02 -1.18 -1.63 113.55 112.80 2k77 h SER 66 Ca 0.20 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.78 2k77 h SER 66 Cb 0.04 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.51 2k77 h SER 66 CO -0.05 0.00 -2.39 0.18 -1.14 0.00 0.00 176.83 173.43 2k77 n LEU 67 N -2.79 0.87 -0.00 5.07 4.77 -0.26 -4.75 117.00 119.90 2k77 n LEU 67 Ca 0.00 -0.04 0.06 0.00 -0.03 0.00 0.00 56.01 56.01 2k77 n LEU 67 Cb 0.23 0.09 -0.09 0.00 -2.33 0.00 0.00 43.42 41.32 2k77 n LEU 67 CO 0.23 0.62 -0.47 2.30 -1.33 0.00 0.00 177.39 178.74 2k77 n ILE 68 N -2.89 0.00 -3.85 -0.08 -5.35 -0.47 -5.12 119.36 101.60 2k77 n ILE 68 Ca -0.36 -0.27 0.02 0.00 -0.27 0.00 0.00 62.75 61.87 2k77 n ILE 68 Cb 1.10 0.44 -0.01 0.00 -1.74 0.00 0.00 39.64 39.43 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 1.62 -1.56 1.53 3.28 0.00 -0.62 -4.43 105.19 105.01 2k77 n GLY 69 Ca -0.01 -1.21 -0.09 0.00 0.00 0.00 0.00 46.02 44.71 2k77 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k77 n ARG 70 N -1.45 1.46 -0.03 1.61 5.12 -1.26 -4.96 116.66 117.16 2k77 n ARG 70 Ca 0.00 -1.02 0.00 0.00 -1.93 0.00 0.00 57.85 54.90 2k77 n ARG 70 Cb 0.07 -1.40 -0.00 0.00 -1.16 0.00 0.00 32.46 29.97 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k77 n GLY 71 N 0.20 -1.76 0.00 -0.13 0.00 -1.13 -4.47 105.19 97.90 2k77 n GLY 71 Ca 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.92 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -0.70 3.31 -3.85 1.61 3.00 -0.35 -4.88 117.38 115.52 2k77 n GLN 72 Ca 0.00 0.00 -0.31 0.00 -0.01 0.00 0.00 57.00 56.68 2k77 n GLN 72 Cb 0.01 -1.00 0.01 0.00 0.00 0.00 0.00 30.24 29.26 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2k77 n GLU 73 N -1.91 -1.06 -0.10 -1.09 2.13 0.05 -4.96 120.64 113.69 2k77 n GLU 73 Ca 0.00 0.54 -0.16 0.00 0.66 0.00 0.00 57.16 58.20 2k77 n GLU 73 Cb 0.41 -2.67 -0.13 0.00 0.27 0.00 0.00 31.44 29.32 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N -3.53 0.67 -3.50 5.31 2.81 -1.26 -5.06 117.12 112.55 2k77 n MET 74 Ca -0.22 0.13 -0.11 0.00 -1.81 0.00 0.00 57.70 55.69 2k77 n MET 74 Cb 0.63 -1.55 -0.02 0.00 -0.71 0.00 0.00 33.22 31.57 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 s SER 75 N -6.33 -0.51 0.16 7.83 0.15 -1.26 -5.03 113.70 108.70 2k77 s SER 75 Ca -0.27 -0.11 0.26 0.00 0.70 0.00 0.00 55.95 56.53 2k77 s SER 75 Cb 0.08 0.62 0.81 0.00 -1.71 0.00 0.00 66.02 65.82 2k77 s SER 75 CO 0.68 -1.04 1.73 0.00 1.20 0.00 0.00 173.24 175.81 2k77 n GLN 76 N -0.39 0.22 -2.61 5.44 6.02 -1.26 -4.54 117.38 120.26 2k77 n GLN 76 Ca -0.15 0.16 -0.43 0.00 -0.01 0.00 0.00 57.00 56.57 2k77 n GLN 76 Cb 0.64 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 30.15 2k77 n GLN 76 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 2k77 s THR 77 N -3.09 4.59 0.40 5.09 2.01 -1.26 -5.04 115.64 118.34 2k77 s THR 77 Ca 0.11 1.91 -0.17 0.00 0.31 0.00 0.00 61.69 63.84 2k77 s THR 77 Cb 0.14 -4.23 -0.10 0.00 0.01 0.00 0.00 72.50 68.32 2k77 s THR 77 CO 0.61 -0.14 0.87 -0.63 -0.69 0.00 0.00 174.62 174.63 2k77 s ILE 78 N 3.05 4.54 -0.02 1.82 1.09 -1.26 -4.75 121.20 125.67 2k77 s ILE 78 Ca 0.47 1.20 0.03 0.00 -1.10 0.00 0.00 60.65 61.25 2k77 s ILE 78 Cb -0.17 -3.63 -0.00 0.00 -1.06 0.00 0.00 42.46 37.59 2k77 s ILE 78 CO 0.10 -0.34 -0.11 -2.28 -0.10 0.00 0.00 174.94 172.21 2k77 s HIS 79 N -2.19 1.05 -0.06 3.97 5.65 -1.16 -4.95 115.29 117.60 2k77 s HIS 79 Ca 0.58 -0.23 -0.26 0.00 0.25 0.00 0.00 55.06 55.40 2k77 s HIS 79 Cb -0.10 -0.70 -0.03 0.00 -1.18 0.00 0.00 32.58 30.57 2k77 s HIS 79 CO 0.18 -0.05 0.82 0.71 -0.65 0.00 0.00 174.74 175.75 2k77 s TYR 80 N -0.10 3.58 0.89 3.88 1.51 -1.26 -0.74 117.35 125.11 2k77 s TYR 80 Ca 0.01 1.41 -0.11 0.00 -1.01 0.00 0.00 57.07 57.38 2k77 s TYR 80 Cb -0.06 -2.95 0.13 0.00 -0.11 0.00 0.00 41.96 38.96 2k77 s TYR 80 CO 0.00 0.00 1.11 0.95 -1.11 0.00 0.00 175.55 176.50 2k77 s THR 81 N 1.08 2.60 0.42 -0.71 -4.23 -0.56 -4.74 115.64 109.50 2k77 s THR 81 Ca 0.43 0.19 0.14 0.00 -1.18 0.00 0.00 61.69 61.27 2k77 s THR 81 Cb -0.19 -2.46 0.34 0.00 1.34 0.00 0.00 72.50 71.53 2k77 s THR 81 CO 0.21 -0.25 1.95 -0.65 -0.54 0.00 0.00 174.62 175.33 2k77 h PRO 82 N -1.64 0.43 -0.29 3.99 0.11 -1.97 0.23 132.00 132.86 2k77 h PRO 82 Ca -0.46 -0.03 -0.18 0.00 0.11 0.00 0.00 66.00 65.44 2k77 h PRO 82 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k77 h PRO 82 CO 0.48 0.29 -0.53 0.00 -0.21 0.00 0.00 178.00 178.03 2k77 h ARG 83 N 0.45 0.85 -0.40 1.05 2.47 -1.95 -1.02 114.38 115.83 2k77 h ARG 83 Ca 0.33 -0.53 -0.11 0.00 -1.26 0.00 0.00 59.98 58.41 2k77 h ARG 83 Cb 0.66 0.06 -0.01 0.00 -1.65 0.00 0.00 29.97 29.03 2k77 h ARG 83 CO -0.10 1.16 -0.19 0.00 0.56 0.00 0.00 179.97 181.41 2k77 h ALA 84 N 0.73 0.56 -0.82 0.04 0.00 -1.63 -0.46 119.26 117.68 2k77 h ALA 84 Ca 0.02 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.59 2k77 h ALA 84 Cb 1.13 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 18.74 2k77 h ALA 84 CO 0.12 0.51 0.53 -0.22 0.00 0.00 0.00 179.25 180.19 2k77 h LYS 85 N 0.64 1.02 -0.79 0.00 3.64 -0.99 -0.68 116.57 119.41 2k77 h LYS 85 Ca 0.09 -0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.38 2k77 h LYS 85 Cb 0.74 -0.23 -0.04 0.00 -0.41 0.00 0.00 32.23 32.30 2k77 h LYS 85 CO 0.06 0.67 0.39 -0.22 -2.27 0.00 0.00 179.45 178.08 2k77 h LYS 86 N 1.05 1.13 -0.72 1.90 3.64 -1.01 -2.07 116.57 120.48 2k77 h LYS 86 Ca 0.32 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2k77 h LYS 86 Cb -0.03 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 31.55 2k77 h LYS 86 CO -0.10 0.87 0.40 0.28 -2.27 0.00 0.00 179.45 178.63 2k77 h VAL 87 N 1.11 1.22 -0.46 2.00 2.07 -0.39 0.47 116.25 122.26 2k77 h VAL 87 Ca 0.27 -0.53 0.02 0.00 0.82 0.00 0.00 66.70 67.27 2k77 h VAL 87 Cb 0.10 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.10 2k77 h VAL 87 CO -0.04 0.24 0.28 0.40 0.02 0.00 0.00 177.57 178.47 2k77 h ILE 88 N 0.99 1.06 -0.55 4.57 1.08 -0.84 0.13 117.51 123.96 2k77 h ILE 88 Ca 0.26 -0.19 -0.08 0.00 -0.39 0.00 0.00 64.86 64.45 2k77 h ILE 88 Cb 0.02 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.20 2k77 h ILE 88 CO -0.04 0.10 0.02 -0.33 -0.69 0.00 0.00 178.15 177.21 2k77 h GLU 89 N 0.57 0.96 -0.34 2.37 5.08 -1.12 -2.74 114.58 119.36 2k77 h GLU 89 Ca 0.18 -0.29 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2k77 h GLU 89 Cb -0.00 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2k77 h GLU 89 CO -0.08 0.96 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.61 2k77 h LEU 90 N 0.84 0.65 -0.90 1.33 3.38 -0.62 -0.49 115.31 119.50 2k77 h LEU 90 Ca 0.16 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 90 Cb 0.51 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.04 2k77 h LEU 90 CO 0.02 0.86 0.47 0.28 0.09 0.00 0.00 178.44 180.16 2k77 h SER 91 N 0.57 1.12 0.18 -0.43 0.02 -0.67 -0.76 113.55 113.60 2k77 h SER 91 Ca 0.09 -0.11 -0.17 0.00 -0.84 0.00 0.00 61.79 60.76 2k77 h SER 91 Cb 0.67 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.92 2k77 h SER 91 CO 0.05 0.91 -0.62 -0.03 -1.14 0.00 0.00 176.83 176.00 2k77 h MET 92 N 1.25 0.43 0.00 3.45 1.85 -1.25 -1.18 114.93 119.48 2k77 h MET 92 Ca 0.31 -0.30 -0.06 0.00 -0.61 0.00 0.00 59.70 59.03 2k77 h MET 92 Cb 0.06 0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.13 2k77 h MET 92 CO -0.05 0.92 -0.30 0.22 -0.40 0.00 0.00 176.91 177.30 2k77 h ASP 93 N 0.32 0.00 0.21 1.39 3.58 -0.69 -0.96 116.42 120.27 2k77 h ASP 93 Ca -0.01 0.00 -0.30 0.00 0.42 0.00 0.00 57.03 57.14 2k77 h ASP 93 Cb 1.17 0.00 0.03 0.00 1.72 0.00 0.00 39.33 42.24 2k77 h ASP 93 CO 0.11 0.30 -1.39 -0.33 -2.88 0.00 0.00 179.24 175.06 2k77 h GLU 94 N 0.00 0.44 -0.71 0.28 4.39 -1.05 -3.10 114.58 114.82 2k77 h GLU 94 Ca -0.00 -0.74 0.05 0.00 0.34 0.00 0.00 59.36 59.00 2k77 h GLU 94 Cb 0.58 0.28 -0.04 0.00 -0.10 0.00 0.00 28.75 29.47 2k77 h GLU 94 CO 0.04 1.36 0.47 0.00 -1.16 0.00 0.00 179.01 179.72 2k77 h ALA 95 N 0.11 1.64 -0.15 3.43 0.00 -1.11 -1.81 119.26 121.37 2k77 h ALA 95 Ca -0.26 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.54 2k77 h ALA 95 Cb 2.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 19.56 2k77 h ALA 95 CO 0.21 0.27 -0.28 -0.09 0.00 0.00 0.00 179.25 179.36 2k77 h ARG 96 N 0.81 0.28 -0.19 0.00 2.43 -1.28 -1.33 114.38 115.10 2k77 h ARG 96 Ca 0.29 -0.10 -0.14 0.00 -0.81 0.00 0.00 59.98 59.22 2k77 h ARG 96 Cb 0.14 -0.02 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 2k77 h ARG 96 CO -0.09 0.54 -0.49 0.87 -1.51 0.00 0.00 179.97 179.29 2k77 h LYS 97 N 0.25 0.50 0.00 0.20 1.57 -1.27 -3.00 116.57 114.81 2k77 h LYS 97 Ca 0.04 -0.29 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2k77 h LYS 97 Cb 0.63 0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.96 2k77 h LYS 97 CO 0.05 0.88 0.00 -0.07 -0.57 0.00 0.00 179.45 179.73 2k77 h LEU 98 N 0.40 0.00 1.84 2.94 -0.00 -1.18 -3.48 115.31 115.84 2k77 h LEU 98 Ca 0.02 0.00 -0.29 0.00 -0.00 0.00 0.00 57.88 57.61 2k77 h LEU 98 Cb 1.00 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.66 2k77 h LEU 98 CO 0.09 0.00 -0.38 0.61 -0.00 0.00 0.00 178.44 178.76 2k77 n GLY 99 N 0.77 -0.22 0.00 0.83 0.00 -0.59 -4.94 105.19 101.05 2k77 n GLY 99 Ca 0.04 -0.26 0.14 0.00 0.00 0.00 0.00 46.02 45.94 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 -4.03 0.00 0.00 1.61 -0.00 -0.71 -4.92 115.22 107.17 2k77 n HIS 100 Ca -0.16 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.02 2k77 n HIS 100 Cb 0.62 -0.14 0.00 0.00 -0.12 0.00 0.00 29.99 30.35 2k77 n HIS 100 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2k77 n SER 101 N -1.14 0.00 -3.78 0.26 2.88 -1.26 -4.82 113.62 105.76 2k77 n SER 101 Ca 0.18 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.63 2k77 n SER 101 Cb 0.16 -0.10 -0.06 0.00 -0.75 0.00 0.00 64.21 63.46 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -1.23 0.00 0.00 175.04 173.09 2k77 s TYR 102 N -0.07 0.04 -0.32 0.66 -0.85 -1.26 -4.62 117.35 110.93 2k77 s TYR 102 Ca 0.00 -0.42 -0.24 0.00 -0.52 0.00 0.00 57.07 55.89 2k77 s TYR 102 Cb 0.00 0.07 0.00 0.00 0.38 0.00 0.00 41.96 42.41 2k77 s TYR 102 CO 0.00 -0.63 0.80 0.08 -1.52 0.00 0.00 175.55 174.28 2k77 s VAL 103 N -3.85 4.77 0.72 -3.49 1.01 0.10 -4.89 120.40 114.76 2k77 s VAL 103 Ca 0.05 1.15 -0.04 0.00 0.00 0.00 0.00 61.98 63.14 2k77 s VAL 103 Cb 0.03 -4.17 0.10 0.00 0.00 0.00 0.00 36.38 32.35 2k77 s VAL 103 CO -0.10 -0.30 1.00 -0.83 0.00 0.00 0.00 175.10 174.87 2k77 s GLY 104 N 1.67 1.76 0.27 4.51 0.00 -1.26 -1.28 107.32 112.99 2k77 s GLY 104 Ca 0.33 -1.41 -0.04 0.00 0.00 0.00 0.00 44.72 43.60 2k77 s GLY 104 CO 0.14 -0.91 1.93 -0.91 0.00 0.00 0.00 173.10 173.34 2k77 h THR 105 N -0.57 1.19 -0.50 0.90 1.35 -1.93 -1.60 112.91 111.75 2k77 h THR 105 Ca -0.40 -0.42 0.10 0.00 -0.55 0.00 0.00 66.41 65.13 2k77 h THR 105 Cb 1.28 -0.16 -0.10 0.00 -1.73 0.00 0.00 68.15 67.44 2k77 h THR 105 CO 0.47 0.23 -0.24 1.05 -0.25 0.00 0.00 175.52 176.77 2k77 h GLU 106 N 1.24 -0.13 0.00 4.72 9.09 -1.94 -1.79 114.58 125.76 2k77 h GLU 106 Ca 0.37 0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 106 Cb -0.04 0.03 -0.02 0.00 -1.65 0.00 0.00 28.75 27.08 2k77 h GLU 106 CO -0.11 -0.08 -0.50 0.45 0.05 0.00 0.00 179.01 178.82 2k77 h HIS 107 N -0.13 0.00 -0.29 2.06 3.86 -1.71 -1.47 115.15 117.46 2k77 h HIS 107 Ca 0.23 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.44 2k77 h HIS 107 Cb 0.49 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.95 2k77 h HIS 107 CO -0.52 0.50 0.17 0.82 0.86 0.00 0.00 177.93 179.77 2k77 h ILE 108 N 0.00 1.10 -0.50 2.45 2.04 -0.75 -0.25 117.51 121.61 2k77 h ILE 108 Ca -0.01 -0.24 -0.04 0.00 1.00 0.00 0.00 64.86 65.57 2k77 h ILE 108 Cb 0.94 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.74 2k77 h ILE 108 CO 0.07 0.10 0.16 0.25 0.00 0.00 0.00 178.15 178.73 2k77 h LEU 109 N 0.36 0.72 -1.31 1.44 5.85 -0.99 -1.26 115.31 120.13 2k77 h LEU 109 Ca 0.10 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.70 2k77 h LEU 109 Cb 0.01 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.80 2k77 h LEU 109 CO -0.02 0.73 0.52 -0.07 -0.34 0.00 0.00 178.44 179.26 2k77 h LEU 110 N 0.68 0.73 -0.69 2.25 3.38 -1.14 -1.57 115.31 118.94 2k77 h LEU 110 Ca 0.16 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2k77 h LEU 110 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 2k77 h LEU 110 CO -0.01 0.46 0.27 1.23 0.09 0.00 0.00 178.44 180.48 2k77 h GLY 111 N 0.82 1.11 0.91 0.83 0.00 -0.49 -0.79 103.07 105.46 2k77 h GLY 111 Ca 0.35 -0.61 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 2k77 h GLY 111 CO -0.13 0.58 0.11 1.41 0.00 0.00 0.00 176.54 178.51 2k77 h LEU 112 N 0.99 0.43 -0.60 3.11 3.38 -0.32 -2.05 115.31 120.25 2k77 h LEU 112 Ca 0.23 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.87 2k77 h LEU 112 Cb 0.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 2k77 h LEU 112 CO -0.02 0.49 -0.61 0.16 0.09 0.00 0.00 178.44 178.56 2k77 h ILE 113 N 0.34 1.37 -0.40 1.22 3.07 -1.35 -2.99 117.51 118.77 2k77 h ILE 113 Ca 0.10 -1.97 0.02 0.00 1.55 0.00 0.00 64.86 64.56 2k77 h ILE 113 Cb 0.21 1.98 -0.02 0.00 -0.27 0.00 0.00 36.82 38.71 2k77 h ILE 113 CO -0.01 0.59 0.27 0.03 -1.05 0.00 0.00 178.15 177.98 2k77 h ARG 114 N 0.23 0.47 0.00 0.16 2.47 -1.06 -3.12 114.38 113.54 2k77 h ARG 114 Ca -0.01 -0.03 -0.00 0.00 -1.26 0.00 0.00 59.98 58.68 2k77 h ARG 114 Cb 1.13 -0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.34 2k77 h ARG 114 CO 0.10 0.31 -0.00 1.49 0.56 0.00 0.00 179.97 182.43 2k77 h GLU 115 N 0.49 -0.01 0.00 0.04 4.22 -1.22 -3.47 114.58 114.63 2k77 h GLU 115 Ca 0.15 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.60 2k77 h GLU 115 Cb 0.03 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2k77 h GLU 115 CO -0.04 0.34 0.00 0.41 -2.18 0.00 0.00 179.01 177.55 2k77 n GLY 116 N -0.14 2.29 0.09 1.92 0.00 -1.18 -4.66 105.19 103.50 2k77 n GLY 116 Ca -0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -0.43 1.03 -0.81 1.61 1.02 -1.26 -4.64 120.64 117.16 2k77 n GLU 117 Ca 0.00 -0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.82 2k77 n GLU 117 Cb 0.00 -1.46 0.15 0.00 -0.02 0.00 0.00 31.44 30.11 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 118 N -5.26 1.74 0.40 0.62 0.00 -1.26 -4.79 107.32 98.76 2k77 s GLY 118 Ca -0.10 0.58 0.11 0.00 0.00 0.00 0.00 44.72 45.32 2k77 s GLY 118 CO 0.73 0.99 1.93 -2.08 0.00 0.00 0.00 173.10 174.67 2k77 h VAL 119 N -1.68 0.87 -0.53 1.40 2.07 -1.94 -1.94 116.25 114.50 2k77 h VAL 119 Ca -0.43 -0.19 0.06 0.00 0.82 0.00 0.00 66.70 66.95 2k77 h VAL 119 Cb 1.27 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.25 2k77 h VAL 119 CO 0.43 0.10 0.25 0.00 0.02 0.00 0.00 177.57 178.37 2k77 h ALA 120 N 1.63 0.68 -0.40 1.67 0.00 -1.92 0.08 119.26 121.00 2k77 h ALA 120 Ca 0.36 0.04 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2k77 h ALA 120 Cb 0.64 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2k77 h ALA 120 CO -0.13 -0.11 -0.10 0.00 0.00 0.00 0.00 179.25 178.90 2k77 h ALA 121 N 1.31 1.07 -0.40 0.00 0.00 -1.56 -2.74 119.26 116.94 2k77 h ALA 121 Ca 0.24 -0.30 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 121 Cb 0.19 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2k77 h ALA 121 CO -0.19 0.57 0.08 0.00 0.00 0.00 0.00 179.25 179.71 2k77 h ARG 122 N 0.64 0.65 -0.48 0.00 2.47 -1.16 -2.53 114.38 113.97 2k77 h ARG 122 Ca 0.11 -0.16 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 2k77 h ARG 122 Cb 0.55 -0.08 -0.02 0.00 -1.65 0.00 0.00 29.97 28.77 2k77 h ARG 122 CO 0.03 0.69 0.28 0.28 0.56 0.00 0.00 179.97 181.80 2k77 h VAL 123 N 0.51 1.16 -0.37 2.04 2.07 -0.94 0.04 116.25 120.77 2k77 h VAL 123 Ca 0.12 -0.40 -0.01 0.00 0.82 0.00 0.00 66.70 67.24 2k77 h VAL 123 Cb 0.34 0.55 -0.02 0.00 -1.52 0.00 0.00 31.29 30.64 2k77 h VAL 123 CO 0.00 0.17 0.19 -0.07 0.02 0.00 0.00 177.57 177.89 2k77 h LEU 124 N 0.64 0.47 -0.95 2.57 3.38 -1.47 -1.04 115.31 118.91 2k77 h LEU 124 Ca 0.17 -0.10 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 124 Cb 0.03 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 2k77 h LEU 124 CO -0.03 0.43 -0.19 0.78 0.09 0.00 0.00 178.44 179.53 2k77 h ASN 125 N 0.46 0.55 -0.43 -0.43 2.35 -1.20 0.86 115.58 117.73 2k77 h ASN 125 Ca 0.13 -0.17 -0.05 0.00 -0.55 0.00 0.00 56.30 55.66 2k77 h ASN 125 Cb 0.08 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2k77 h ASN 125 CO -0.02 0.75 0.09 -1.13 -1.65 0.00 0.00 177.43 175.47 2k77 h ASN 126 N 0.50 0.67 0.30 5.81 -1.24 -0.77 -3.19 115.58 117.65 2k77 h ASN 126 Ca 0.08 -0.24 -0.18 0.00 0.71 0.00 0.00 56.30 56.67 2k77 h ASN 126 Cb 0.61 -0.18 -0.01 0.00 0.73 0.00 0.00 38.32 39.47 2k77 h ASN 126 CO 0.04 0.74 -0.73 -0.07 -1.29 0.00 0.00 177.43 176.13 2k77 h LEU 127 N 0.57 0.44 0.00 0.34 3.38 -1.01 -3.48 115.31 115.55 2k77 h LEU 127 Ca 0.13 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2k77 h LEU 127 Cb 0.34 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2k77 h LEU 127 CO 0.00 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.17 2k77 n GLY 128 N 0.56 -0.11 3.81 0.83 0.00 -0.23 -5.10 105.19 104.94 2k77 n GLY 128 Ca -0.04 0.00 -0.34 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 -0.86 4.34 0.13 1.61 1.01 0.13 -4.94 120.40 121.82 2k77 s VAL 129 Ca 0.00 1.59 0.01 0.00 0.00 0.00 0.00 61.98 63.58 2k77 s VAL 129 Cb 0.00 -3.72 -0.04 0.00 0.00 0.00 0.00 36.38 32.62 2k77 s VAL 129 CO 0.00 -0.18 -0.01 -0.44 0.00 0.00 0.00 175.10 174.46 2k77 s SER 130 N -2.02 0.98 0.19 3.32 0.01 -1.26 -2.87 113.70 112.06 2k77 s SER 130 Ca 0.59 -1.11 -0.12 0.00 1.31 0.00 0.00 55.95 56.61 2k77 s SER 130 Cb -0.12 0.15 0.22 0.00 0.21 0.00 0.00 66.02 66.48 2k77 s SER 130 CO 0.16 -0.57 1.69 0.25 0.41 0.00 0.00 173.24 175.19 2k77 h LEU 131 N 2.84 -0.11 -0.56 2.44 6.46 -1.99 -1.05 115.31 123.35 2k77 h LEU 131 Ca -0.36 0.11 -0.14 0.00 -0.12 0.00 0.00 57.88 57.37 2k77 h LEU 131 Cb 1.19 0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 41.29 2k77 h LEU 131 CO 0.63 -0.03 -0.38 -1.13 -0.62 0.00 0.00 178.44 176.91 2k77 h ASN 132 N 0.18 0.79 -0.13 1.25 -0.73 -1.98 -1.01 115.58 113.94 2k77 h ASN 132 Ca 0.27 -0.35 -0.01 0.00 1.87 0.00 0.00 56.30 58.08 2k77 h ASN 132 Cb 0.40 -0.22 -0.01 0.00 0.27 0.00 0.00 38.32 38.77 2k77 h ASN 132 CO -0.40 1.08 0.03 0.11 -0.37 0.00 0.00 177.43 177.88 2k77 h LYS 133 N 0.61 0.21 -0.31 6.67 1.57 -1.77 -0.63 116.57 122.91 2k77 h LYS 133 Ca 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 2k77 h LYS 133 Cb 0.92 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 33.19 2k77 h LYS 133 CO 0.08 0.37 0.05 0.00 -0.57 0.00 0.00 179.45 179.38 2k77 h ALA 134 N 0.83 0.42 -0.14 3.86 0.00 -1.24 -2.30 119.26 120.67 2k77 h ALA 134 Ca 0.04 -0.20 0.05 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 134 Cb 0.26 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.88 2k77 h ALA 134 CO 0.00 0.11 -0.17 0.00 0.00 0.00 0.00 179.25 179.19 2k77 h ARG 135 N 0.34 -0.20 -0.74 0.00 3.08 -1.12 -1.11 114.38 114.62 2k77 h ARG 135 Ca 0.09 0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.12 2k77 h ARG 135 Cb 0.35 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.41 2k77 h ARG 135 CO 0.01 -0.13 0.32 0.37 -1.07 0.00 0.00 179.97 179.46 2k77 h GLN 136 N -0.21 1.09 -0.23 0.04 5.75 -0.99 0.11 115.11 120.67 2k77 h GLN 136 Ca 0.10 -0.18 -0.19 0.00 -0.15 0.00 0.00 58.65 58.22 2k77 h GLN 136 Cb 0.36 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 28.73 2k77 h GLN 136 CO -0.27 0.88 -0.62 1.96 -2.65 0.00 0.00 178.83 178.13 2k77 h GLN 137 N 1.06 0.81 -0.24 1.69 1.08 -1.32 -2.28 115.11 115.90 2k77 h GLN 137 Ca 0.25 -0.56 -0.07 0.00 -1.45 0.00 0.00 58.65 56.83 2k77 h GLN 137 Cb 0.18 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 27.68 2k77 h GLN 137 CO -0.02 1.18 -0.11 0.28 -0.95 0.00 0.00 178.83 179.21 2k77 h VAL 138 N 0.60 1.30 0.00 -0.54 2.07 -0.93 -0.06 116.25 118.69 2k77 h VAL 138 Ca -0.01 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.28 2k77 h VAL 138 Cb 1.23 1.57 -0.01 0.00 -1.52 0.00 0.00 31.29 32.56 2k77 h VAL 138 CO 0.13 0.36 -0.26 -0.07 0.02 0.00 0.00 177.57 177.76 2k77 h LEU 139 N 0.21 0.00 0.05 2.57 3.38 -0.86 -2.00 115.31 118.67 2k77 h LEU 139 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 139 Cb 0.60 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k77 h LEU 139 CO 0.03 0.26 -0.03 1.56 0.09 0.00 0.00 178.44 180.36 2k77 h GLN 140 N 0.00 -0.07 0.00 1.13 4.20 -1.36 -3.40 115.11 115.60 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 0.57 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.37 2k77 h GLN 140 CO 0.03 0.35 0.00 1.25 -0.67 0.00 0.00 178.83 179.79 2k77 h LEU 141 N -0.98 0.00 -0.16 1.46 5.85 -0.83 0.18 115.31 120.83 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 0.45 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2k77 h LEU 141 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2k77 n LEU 142 N -2.91 0.11 0.00 2.25 -0.00 -0.77 -4.68 117.00 111.00 2k77 n LEU 142 Ca -0.00 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.54 2k77 n LEU 142 Cb 0.22 -0.53 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 2k77 n LEU 142 CO 0.23 -0.40 0.00 0.61 -0.00 0.00 0.00 177.39 177.84 2k77 n GLY 143 N -0.50 -0.15 0.01 1.47 0.00 -1.00 -5.05 105.19 99.98 2k77 n GLY 143 Ca 0.02 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.05 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 1.81 -0.22 1.61 7.64 0.51 -5.12 113.62 119.84 2k77 n SER 144 Ca 0.00 -2.00 0.15 0.00 1.01 0.00 0.00 58.87 58.03 2k77 n SER 144 Cb 0.00 -0.04 0.75 0.00 -1.01 0.00 0.00 64.21 63.91 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83