#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 0.63 -0.81 0.03 -2.45 -1.26 -5.08 119.30 110.35 2k77 s MET 2 Ca 0.00 -0.77 -0.08 0.00 -1.25 0.00 0.00 55.69 53.59 2k77 s MET 2 Cb 0.00 0.25 -0.16 0.00 1.25 0.00 0.00 34.83 36.17 2k77 s MET 2 CO 0.00 -0.16 3.11 1.19 1.05 0.00 0.00 175.02 180.21 2k77 n PHE 3 N 0.66 1.21 -0.34 4.11 3.72 -1.26 -4.76 117.46 120.80 2k77 n PHE 3 Ca -0.18 -2.22 -0.00 0.00 -0.05 0.00 0.00 57.45 54.99 2k77 n PHE 3 Cb 0.59 -1.98 -0.01 0.00 -0.94 0.00 0.00 39.48 37.15 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 3.11 1.79 2.90 1.37 0.00 -1.26 -4.65 105.19 108.45 2k77 n GLY 4 Ca 0.58 -0.05 -0.15 0.00 0.00 0.00 0.00 46.02 46.40 2k77 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 5 N 0.80 0.32 0.09 1.61 3.52 -1.26 -5.11 118.95 118.92 2k77 s ARG 5 Ca 0.03 -0.07 0.09 0.00 -0.13 0.00 0.00 55.73 55.64 2k77 s ARG 5 Cb 0.01 -0.36 -0.04 0.00 -1.56 0.00 0.00 34.95 33.01 2k77 s ARG 5 CO 0.00 0.01 -0.19 -0.06 -0.81 0.00 0.00 175.30 174.25 2k77 s PHE 6 N 0.26 2.51 0.91 5.12 0.40 -1.26 -0.72 117.98 125.20 2k77 s PHE 6 Ca -0.02 -0.28 -0.11 0.00 -0.60 0.00 0.00 56.93 55.92 2k77 s PHE 6 Cb -0.05 -1.37 0.14 0.00 0.51 0.00 0.00 43.02 42.24 2k77 s PHE 6 CO -0.01 0.33 1.10 0.95 0.70 0.00 0.00 175.22 178.29 2k77 s THR 7 N -1.05 2.52 0.38 0.64 -4.23 -0.38 -4.74 115.64 108.78 2k77 s THR 7 Ca 0.16 0.17 0.06 0.00 -1.18 0.00 0.00 61.69 60.90 2k77 s THR 7 Cb -0.10 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.54 2k77 s THR 7 CO 0.08 -0.22 2.01 -0.08 -0.54 0.00 0.00 174.62 175.87 2k77 h GLU 8 N -1.72 0.58 -0.66 3.99 4.81 -1.99 0.26 114.58 119.84 2k77 h GLU 8 Ca -0.48 -0.05 -0.05 0.00 -0.13 0.00 0.00 59.36 58.65 2k77 h GLU 8 Cb 1.27 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.50 2k77 h GLU 8 CO 0.49 0.43 0.24 0.00 -0.73 0.00 0.00 179.01 179.44 2k77 h ARG 9 N 0.58 1.01 -0.08 1.92 2.47 -1.96 -2.08 114.38 116.25 2k77 h ARG 9 Ca 0.15 -0.20 -0.19 0.00 -1.26 0.00 0.00 59.98 58.48 2k77 h ARG 9 Cb 0.03 -0.16 0.01 0.00 -1.65 0.00 0.00 29.97 28.20 2k77 h ARG 9 CO -0.02 0.87 -0.68 0.00 0.56 0.00 0.00 179.97 180.70 2k77 h ALA 10 N 1.10 0.19 -0.69 0.04 0.00 -1.71 -3.00 119.26 115.17 2k77 h ALA 10 Ca 0.22 -0.57 0.07 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 10 Cb 0.25 0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 2k77 h ALA 10 CO -0.01 0.49 0.46 1.96 0.00 0.00 0.00 179.25 182.15 2k77 h GLN 11 N 0.22 0.68 -0.54 0.00 4.20 -0.97 -1.92 115.11 116.78 2k77 h GLN 11 Ca -0.06 -0.04 -0.04 0.00 0.06 0.00 0.00 58.65 58.57 2k77 h GLN 11 Cb 1.33 -0.15 -0.02 0.00 0.30 0.00 0.00 27.48 28.94 2k77 h GLN 11 CO 0.14 0.45 0.18 -0.22 -0.67 0.00 0.00 178.83 178.71 2k77 h LYS 12 N 0.70 0.84 -0.49 1.46 3.64 -1.31 -0.22 116.57 121.20 2k77 h LYS 12 Ca 0.30 -0.18 -0.06 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 12 Cb 0.28 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.95 2k77 h LYS 12 CO -0.10 0.76 0.07 -0.39 -2.27 0.00 0.00 179.45 177.52 2k77 h VAL 13 N 0.75 1.22 -0.05 2.00 -1.51 -1.24 -0.31 116.25 117.11 2k77 h VAL 13 Ca 0.18 -0.86 -0.15 0.00 -1.23 0.00 0.00 66.70 64.64 2k77 h VAL 13 Cb 0.26 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 30.19 2k77 h VAL 13 CO -0.01 0.31 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.92 2k77 h LEU 14 N 0.73 0.25 -0.46 4.19 3.38 -1.17 -0.02 115.31 122.20 2k77 h LEU 14 Ca 0.15 -0.16 -0.15 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 14 Cb 0.34 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 2k77 h LEU 14 CO 0.01 0.84 -0.32 0.00 0.09 0.00 0.00 178.44 179.05 2k77 h ALA 15 N 1.16 0.65 -0.22 1.53 0.00 -0.79 -2.98 119.26 118.62 2k77 h ALA 15 Ca -0.01 -0.43 -0.08 0.00 0.00 0.00 0.00 54.91 54.38 2k77 h ALA 15 Cb 1.18 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k77 h ALA 15 CO 0.10 0.67 -0.23 -0.07 0.00 0.00 0.00 179.25 179.72 2k77 h LEU 16 N 0.77 0.39 -1.43 0.00 3.38 -0.93 -2.40 115.31 115.10 2k77 h LEU 16 Ca 0.08 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 16 Cb 0.90 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 41.52 2k77 h LEU 16 CO 0.08 0.63 0.30 0.00 0.09 0.00 0.00 178.44 179.54 2k77 h ALA 17 N 1.40 1.57 -0.23 1.53 0.00 -0.91 0.56 119.26 123.18 2k77 h ALA 17 Ca 0.06 -0.06 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 17 Cb 0.61 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.19 2k77 h ALA 17 CO 0.04 0.37 -0.18 0.37 0.00 0.00 0.00 179.25 179.85 2k77 h GLN 18 N 0.69 0.52 -0.83 0.00 4.15 -1.33 -1.13 115.11 117.19 2k77 h GLN 18 Ca 0.18 -0.26 -0.04 0.00 0.77 0.00 0.00 58.65 59.31 2k77 h GLN 18 Cb -0.01 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.64 2k77 h GLN 18 CO -0.03 0.83 0.38 1.49 -1.93 0.00 0.00 178.83 179.57 2k77 h GLU 19 N 0.22 1.21 -0.32 1.69 4.81 -1.01 -1.43 114.58 119.75 2k77 h GLU 19 Ca 0.04 -0.19 -0.18 0.00 -0.13 0.00 0.00 59.36 58.90 2k77 h GLU 19 Cb 0.71 -0.21 -0.00 0.00 0.63 0.00 0.00 28.75 29.88 2k77 h GLU 19 CO 0.05 0.94 -0.50 0.93 -0.73 0.00 0.00 179.01 179.71 2k77 h GLU 20 N 1.19 0.90 -0.35 1.92 4.39 -0.92 0.33 114.58 122.04 2k77 h GLU 20 Ca 0.28 -0.54 0.05 0.00 0.34 0.00 0.00 59.36 59.49 2k77 h GLU 20 Cb 0.15 0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2k77 h GLU 20 CO -0.03 1.18 0.08 0.00 -1.16 0.00 0.00 179.01 179.09 2k77 h ALA 21 N 0.71 0.38 0.00 3.43 0.00 -1.04 -0.98 119.26 121.76 2k77 h ALA 21 Ca 0.03 0.06 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 2k77 h ALA 21 Cb 1.10 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2k77 h ALA 21 CO 0.11 -0.32 -0.43 -0.07 0.00 0.00 0.00 179.25 178.55 2k77 h LEU 22 N 0.21 0.00 -0.33 0.00 3.38 -1.14 0.12 115.31 117.54 2k77 h LEU 22 Ca 0.16 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2k77 h LEU 22 Cb 0.17 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 2k77 h LEU 22 CO -0.20 0.43 0.07 -0.09 0.09 0.00 0.00 178.44 178.73 2k77 h ARG 23 N 0.00 0.54 0.00 1.13 2.43 -0.51 -2.88 114.38 115.09 2k77 h ARG 23 Ca -0.00 -0.14 0.00 0.00 -0.81 0.00 0.00 59.98 59.03 2k77 h ARG 23 Cb 0.77 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.25 2k77 h ARG 23 CO 0.06 0.62 0.00 -0.07 -1.51 0.00 0.00 179.97 179.06 2k77 h LEU 24 N 0.38 0.00 -1.23 3.80 4.07 -0.98 -3.47 115.31 117.88 2k77 h LEU 24 Ca 0.10 0.00 -0.06 0.00 0.08 0.00 0.00 57.88 58.01 2k77 h LEU 24 Cb 0.33 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.09 2k77 h LEU 24 CO 0.00 0.00 -0.10 0.61 -1.08 0.00 0.00 178.44 177.87 2k77 n GLY 25 N 0.07 0.63 3.40 0.83 0.00 -0.77 -1.58 105.19 107.78 2k77 n GLY 25 Ca 0.02 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 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 -3.05 2.68 -0.34 1.61 3.76 0.33 -0.88 115.29 119.39 2k77 s HIS 26 Ca 0.07 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.61 2k77 s HIS 26 Cb -0.03 -1.68 0.48 0.00 1.11 0.00 0.00 32.58 32.46 2k77 s HIS 26 CO 0.11 -0.01 1.58 0.09 -0.85 0.00 0.00 174.74 175.66 2k77 n ASN 27 N 2.78 3.68 -3.81 1.40 4.13 -1.26 -3.64 115.26 118.54 2k77 n ASN 27 Ca -0.17 -3.02 -0.12 0.00 1.68 0.00 0.00 54.58 52.95 2k77 n ASN 27 Cb 0.52 -0.71 -0.10 0.00 -1.54 0.00 0.00 39.78 37.95 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 -0.58 -0.11 -0.33 6.41 6.03 -1.26 -2.58 114.94 122.52 2k77 s ASN 28 Ca 0.39 0.03 -0.12 0.00 -1.03 0.00 0.00 52.86 52.13 2k77 s ASN 28 Cb 0.32 0.30 -0.02 0.00 -3.03 0.00 0.00 41.25 38.82 2k77 s ASN 28 CO 0.08 -0.35 0.22 -0.63 -2.03 0.00 0.00 177.10 174.39 2k77 s ILE 29 N -1.10 5.17 0.58 0.54 1.01 0.23 -4.79 121.20 122.84 2k77 s ILE 29 Ca -0.12 -0.21 0.08 0.00 0.00 0.00 0.00 60.65 60.40 2k77 s ILE 29 Cb -0.06 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.88 2k77 s ILE 29 CO 0.02 0.03 0.80 0.61 0.00 0.00 0.00 174.94 176.41 2k77 n GLY 30 N 5.08 1.75 0.33 6.18 0.00 -1.26 -1.50 105.19 115.77 2k77 n GLY 30 Ca -0.13 -2.19 0.05 0.00 0.00 0.00 0.00 46.02 43.74 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 -0.02 0.91 -0.58 2.61 1.35 -1.93 -1.85 112.91 113.40 2k77 h THR 31 Ca -0.27 -0.30 0.12 0.00 -0.55 0.00 0.00 66.41 65.41 2k77 h THR 31 Cb 1.19 -0.04 -0.10 0.00 -1.73 0.00 0.00 68.15 67.47 2k77 h THR 31 CO 0.37 0.16 -0.08 1.05 -0.25 0.00 0.00 175.52 176.77 2k77 h GLU 32 N 0.87 0.05 -0.04 4.72 9.09 -1.95 -0.40 114.58 126.92 2k77 h GLU 32 Ca 0.44 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 32 Cb 0.41 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 2k77 h GLU 32 CO -0.26 0.03 -0.69 0.45 0.05 0.00 0.00 179.01 178.60 2k77 h HIS 33 N 0.05 0.24 -0.35 2.06 3.86 -1.71 -0.29 115.15 119.01 2k77 h HIS 33 Ca 0.29 -0.11 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2k77 h HIS 33 Cb 0.45 -0.04 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2k77 h HIS 33 CO -0.42 0.81 -0.13 0.82 0.86 0.00 0.00 177.93 179.87 2k77 h ILE 34 N 0.13 1.28 -0.65 2.45 2.04 -1.09 0.97 117.51 122.63 2k77 h ILE 34 Ca -0.02 -1.23 -0.05 0.00 1.00 0.00 0.00 64.86 64.57 2k77 h ILE 34 Cb 1.22 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.62 2k77 h ILE 34 CO 0.10 0.40 0.22 0.25 0.00 0.00 0.00 178.15 179.12 2k77 h LEU 35 N 0.49 0.94 -0.77 1.44 5.85 -0.95 -1.10 115.31 121.21 2k77 h LEU 35 Ca 0.08 -0.20 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2k77 h LEU 35 Cb 0.65 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.43 2k77 h LEU 35 CO 0.04 0.89 -0.24 0.25 -0.34 0.00 0.00 178.44 179.04 2k77 h LEU 36 N 0.94 0.68 -0.98 2.25 5.85 -0.99 -2.64 115.31 120.42 2k77 h LEU 36 Ca 0.21 -0.24 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 36 Cb 0.28 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2k77 h LEU 36 CO -0.01 0.90 0.17 1.23 -0.34 0.00 0.00 178.44 180.40 2k77 h GLY 37 N 0.99 0.98 0.81 3.75 0.00 -0.59 -1.89 103.07 107.11 2k77 h GLY 37 Ca 0.08 -0.55 -0.01 0.00 0.00 0.00 0.00 47.33 46.85 2k77 h GLY 37 CO 0.06 0.52 -0.29 1.41 0.00 0.00 0.00 176.54 178.23 2k77 h LEU 38 N 0.88 -0.75 -1.37 3.11 3.38 -0.94 -2.07 115.31 117.55 2k77 h LEU 38 Ca 0.20 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2k77 h LEU 38 Cb 0.28 0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 38 CO -0.01 -0.45 -0.31 -0.37 0.09 0.00 0.00 178.44 177.39 2k77 h VAL 39 N -0.69 1.16 0.00 1.22 -1.51 -1.43 -1.40 116.25 113.61 2k77 h VAL 39 Ca -0.04 -1.10 -0.02 0.00 -1.23 0.00 0.00 66.70 64.32 2k77 h VAL 39 Cb 0.59 1.60 -0.00 0.00 -2.13 0.00 0.00 31.29 31.34 2k77 h VAL 39 CO 0.02 0.31 -0.08 0.03 -1.23 0.00 0.00 177.57 176.61 2k77 h ARG 40 N 0.00 0.00 0.02 5.19 2.47 -1.25 -2.97 114.38 117.83 2k77 h ARG 40 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k77 h ARG 40 Cb 0.58 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.90 2k77 h ARG 40 CO 0.04 0.08 -0.01 1.49 0.56 0.00 0.00 179.97 182.13 2k77 h GLU 41 N 0.00 -0.02 0.00 0.04 4.22 -0.61 -3.48 114.58 114.72 2k77 h GLU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 41 Cb 0.53 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.78 2k77 h GLU 41 CO 0.01 0.71 0.00 0.41 -2.18 0.00 0.00 179.01 177.96 2k77 n GLY 42 N 1.46 2.41 0.05 1.92 0.00 -0.60 -4.70 105.19 105.73 2k77 n GLY 42 Ca -0.08 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.89 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -1.86 2.05 -1.55 1.61 0.00 -1.26 -4.29 120.64 115.35 2k77 n GLU 43 Ca 0.00 -0.01 -0.39 0.00 0.00 0.00 0.00 57.16 56.76 2k77 n GLU 43 Cb 0.00 -1.29 0.04 0.00 0.00 0.00 0.00 31.44 30.19 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2k77 n GLY 44 N 2.28 -0.81 0.34 8.31 0.00 -1.26 -4.55 105.19 109.50 2k77 n GLY 44 Ca -0.17 -0.09 0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 0.60 0.78 -0.20 -0.61 1.08 -1.95 -0.35 117.51 116.86 2k77 h ILE 45 Ca -0.46 -0.27 -0.02 0.00 -0.39 0.00 0.00 64.86 63.73 2k77 h ILE 45 Cb 1.37 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 2k77 h ILE 45 CO 0.50 0.14 0.06 0.00 -0.69 0.00 0.00 178.15 178.17 2k77 h ALA 46 N 1.58 0.27 -0.73 1.87 0.00 -1.90 0.41 119.26 120.77 2k77 h ALA 46 Ca 0.51 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.22 2k77 h ALA 46 Cb 0.68 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 2k77 h ALA 46 CO -0.34 -0.10 0.23 0.00 0.00 0.00 0.00 179.25 179.04 2k77 h ALA 47 N 0.88 1.04 -0.54 0.00 0.00 -1.54 -0.85 119.26 118.25 2k77 h ALA 47 Ca 0.07 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 47 Cb 0.24 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 2k77 h ALA 47 CO -0.00 0.65 0.16 -0.22 0.00 0.00 0.00 179.25 179.84 2k77 h LYS 48 N 1.08 0.82 -0.48 0.00 3.64 -1.00 -1.54 116.57 119.08 2k77 h LYS 48 Ca 0.24 -0.15 -0.12 0.00 -1.27 0.00 0.00 60.65 59.34 2k77 h LYS 48 Cb 0.29 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2k77 h LYS 48 CO -0.01 0.72 -0.17 0.00 -2.27 0.00 0.00 179.45 177.72 2k77 h ALA 49 N 1.38 0.67 -0.30 5.00 0.00 -0.44 -0.34 119.26 125.23 2k77 h ALA 49 Ca 0.18 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 49 Cb 0.25 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 2k77 h ALA 49 CO -0.01 0.62 0.18 -0.07 0.00 0.00 0.00 179.25 179.98 2k77 h LEU 50 N 0.82 0.36 -1.03 0.00 3.38 -0.86 -1.74 115.31 116.23 2k77 h LEU 50 Ca 0.12 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 50 Cb 0.74 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 50 CO 0.06 0.30 -0.22 1.56 0.09 0.00 0.00 178.44 180.23 2k77 h GLN 51 N 0.39 0.44 -0.25 1.13 7.50 -1.25 -2.17 115.11 120.88 2k77 h GLN 51 Ca 0.11 -0.15 -0.05 0.00 0.50 0.00 0.00 58.65 59.06 2k77 h GLN 51 Cb 0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2k77 h GLN 51 CO -0.02 0.63 -0.05 0.00 -1.50 0.00 0.00 178.83 177.89 2k77 h ALA 52 N 1.38 1.45 0.00 3.87 0.00 -0.79 -1.54 119.26 123.64 2k77 h ALA 52 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k77 h ALA 52 Cb 0.60 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2k77 h ALA 52 CO 0.04 0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2k77 n LEU 53 N -4.29 0.00 0.00 0.00 4.77 -0.68 -4.89 117.00 111.92 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 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2k77 n LEU 53 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.39 0.73 2.68 -0.72 0.00 -0.58 -4.94 105.19 102.75 2k77 n GLY 54 Ca 0.02 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.83 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 -3.51 0.99 4.77 -0.85 -4.99 117.00 113.41 2k77 n LEU 55 Ca 0.00 -1.01 -0.09 0.00 -0.03 0.00 0.00 56.01 54.88 2k77 n LEU 55 Cb 0.00 -0.71 -0.02 0.00 -2.33 0.00 0.00 43.42 40.35 2k77 n LEU 55 CO 0.00 -1.21 0.70 -0.83 -1.33 0.00 0.00 177.39 174.72 2k77 s GLY 56 N -4.96 -0.44 0.22 -0.72 0.00 -1.26 -4.37 107.32 95.80 2k77 s GLY 56 Ca 0.53 1.16 -0.08 0.00 0.00 0.00 0.00 44.72 46.33 2k77 s GLY 56 CO 0.37 0.44 1.88 1.76 0.00 0.00 0.00 173.10 177.55 2k77 h SER 57 N 2.10 0.88 0.13 1.64 0.02 -1.99 -1.82 113.55 114.51 2k77 h SER 57 Ca -0.21 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 60.64 2k77 h SER 57 Cb 1.23 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.55 2k77 h SER 57 CO 0.31 0.61 -0.31 1.05 -1.14 0.00 0.00 176.83 177.35 2k77 h GLU 58 N 1.04 0.28 -0.04 3.45 4.11 -1.98 -0.80 114.58 120.64 2k77 h GLU 58 Ca 0.32 -0.11 -0.01 0.00 0.07 0.00 0.00 59.36 59.63 2k77 h GLU 58 Cb -0.02 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 2k77 h GLU 58 CO -0.10 0.57 -0.02 0.87 0.07 0.00 0.00 179.01 180.40 2k77 h LYS 59 N 0.25 0.07 -0.32 1.06 1.57 -1.76 -1.05 116.57 116.40 2k77 h LYS 59 Ca 0.03 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 59 Cb 0.68 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 2k77 h LYS 59 CO 0.05 0.47 -0.07 0.82 -0.57 0.00 0.00 179.45 180.15 2k77 h ILE 60 N -0.33 1.28 -0.38 1.86 2.04 -1.43 -2.44 117.51 118.10 2k77 h ILE 60 Ca 0.01 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.76 2k77 h ILE 60 Cb 0.45 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.86 2k77 h ILE 60 CO 0.01 0.36 0.22 -0.61 0.00 0.00 0.00 178.15 178.12 2k77 h GLN 61 N 0.38 0.53 -0.49 2.37 4.15 -1.15 -0.11 115.11 120.80 2k77 h GLN 61 Ca 0.08 -0.06 -0.08 0.00 0.77 0.00 0.00 58.65 59.36 2k77 h GLN 61 Cb 0.56 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.12 2k77 h GLN 61 CO 0.03 0.42 -0.03 0.87 -1.93 0.00 0.00 178.83 178.18 2k77 h LYS 62 N 0.50 0.83 -0.18 1.69 1.57 -1.20 -0.86 116.57 118.92 2k77 h LYS 62 Ca 0.14 -0.25 -0.18 0.00 -1.87 0.00 0.00 60.65 58.49 2k77 h LYS 62 Cb 0.03 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 2k77 h LYS 62 CO -0.02 0.86 -0.61 0.93 -0.57 0.00 0.00 179.45 180.03 2k77 h GLU 63 N 0.77 0.62 0.64 3.15 4.39 -1.25 -1.49 114.58 121.41 2k77 h GLU 63 Ca 0.14 -0.42 -0.03 0.00 0.34 0.00 0.00 59.36 59.39 2k77 h GLU 63 Cb 0.51 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.23 2k77 h GLU 63 CO 0.03 1.04 -0.31 0.28 -1.16 0.00 0.00 179.01 178.89 2k77 h VAL 64 N 0.46 0.36 0.00 3.13 2.07 -0.87 -2.97 116.25 118.43 2k77 h VAL 64 Ca -0.01 -0.02 -0.07 0.00 0.82 0.00 0.00 66.70 67.42 2k77 h VAL 64 Cb 1.19 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 31.32 2k77 h VAL 64 CO 0.12 0.00 -0.32 -0.33 0.02 0.00 0.00 177.57 177.07 2k77 h GLU 65 N -0.88 0.00 0.00 1.57 5.08 -1.19 -1.58 114.58 117.58 2k77 h GLU 65 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2k77 h GLU 65 Cb 0.67 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k77 h GLU 65 CO 0.15 0.32 -0.10 0.77 -1.00 0.00 0.00 179.01 179.14 2k77 h SER 66 N 0.00 0.00 0.15 1.42 0.02 -1.29 -1.54 113.55 112.32 2k77 h SER 66 Ca -0.00 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.59 2k77 h SER 66 Cb 0.57 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.07 2k77 h SER 66 CO 0.04 0.10 -2.13 0.18 -1.14 0.00 0.00 176.83 173.89 2k77 n LEU 67 N -3.29 1.88 -0.00 5.07 4.77 -0.67 -4.67 117.00 120.08 2k77 n LEU 67 Ca -0.00 0.13 0.06 0.00 -0.03 0.00 0.00 56.01 56.17 2k77 n LEU 67 Cb 0.32 -0.50 -0.09 0.00 -2.33 0.00 0.00 43.42 40.83 2k77 n LEU 67 CO 0.29 0.71 -0.36 2.30 -1.33 0.00 0.00 177.39 179.01 2k77 n ILE 68 N -3.20 0.00 -4.73 -0.08 -5.35 -0.77 -5.12 119.36 100.12 2k77 n ILE 68 Ca -0.32 -0.25 0.00 0.00 -0.27 0.00 0.00 62.75 61.90 2k77 n ILE 68 Cb 1.05 0.58 0.00 0.00 -1.74 0.00 0.00 39.64 39.54 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 1.53 -1.22 3.30 3.28 0.00 -0.58 -5.01 105.19 106.49 2k77 n GLY 69 Ca -0.00 -1.11 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 1.27 -0.13 1.61 0.52 -1.26 -4.95 118.95 116.01 2k77 s ARG 70 Ca 0.00 -1.64 -0.01 0.00 -0.52 0.00 0.00 55.73 53.57 2k77 s ARG 70 Cb 0.00 -0.46 -0.01 0.00 0.52 0.00 0.00 34.95 35.01 2k77 s ARG 70 CO 0.00 -0.13 0.11 0.41 0.02 0.00 0.00 175.30 175.71 2k77 n GLY 71 N -0.36 0.59 0.87 -3.53 0.00 -0.61 -5.01 105.19 97.13 2k77 n GLY 71 Ca -0.05 -0.23 0.04 0.00 0.00 0.00 0.00 46.02 45.78 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 -1.63 1.37 -2.70 1.61 10.64 -0.06 -5.07 117.38 121.55 2k77 n GLN 72 Ca -0.01 -3.09 -0.40 0.00 -1.83 0.00 0.00 57.00 51.66 2k77 n GLN 72 Cb 0.52 -1.33 -0.06 0.00 -0.86 0.00 0.00 30.24 28.51 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2k77 s GLU 73 N -2.63 4.79 0.00 2.61 2.56 -0.64 -4.56 118.70 120.84 2k77 s GLU 73 Ca 0.38 1.53 0.00 0.00 0.00 0.00 0.00 54.97 56.88 2k77 s GLU 73 Cb 0.38 -3.22 0.00 0.00 2.00 0.00 0.00 34.13 33.29 2k77 s GLU 73 CO -0.08 0.44 0.34 -0.12 -0.56 0.00 0.00 175.26 175.27 2k77 n MET 74 N 1.34 0.00 -3.72 4.30 1.56 -1.26 -5.03 117.12 114.30 2k77 n MET 74 Ca -0.01 -0.34 -0.28 0.00 -0.27 0.00 0.00 57.70 56.79 2k77 n MET 74 Cb 0.47 -0.42 0.03 0.00 2.15 0.00 0.00 33.22 35.44 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 -0.73 0.00 0.00 175.97 175.67 2k77 n SER 75 N 0.00 -4.97 -0.85 6.12 7.64 -1.26 -4.92 113.62 115.39 2k77 n SER 75 Ca 0.00 -0.65 0.12 0.00 1.01 0.00 0.00 58.87 59.35 2k77 n SER 75 Cb 0.45 -3.98 0.13 0.00 -1.01 0.00 0.00 64.21 59.81 2k77 n SER 75 CO 0.00 0.00 0.00 1.67 -3.01 0.00 0.00 175.04 173.70 2k77 n GLN 76 N -4.52 2.11 -1.30 1.43 0.00 -1.26 -5.09 117.38 108.74 2k77 n GLN 76 Ca 0.02 -1.70 0.15 0.00 -0.00 0.00 0.00 57.00 55.47 2k77 n GLN 76 Cb 0.54 -1.46 -0.09 0.00 0.00 0.00 0.00 30.24 29.23 2k77 n GLN 76 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.06 179.47 2k77 n THR 77 N 1.04 -0.91 -2.73 1.69 -1.04 -1.26 -4.95 114.28 106.12 2k77 n THR 77 Ca 0.14 0.88 -0.36 0.00 -2.04 0.00 0.00 64.05 62.67 2k77 n THR 77 Cb 0.56 -1.33 -0.06 0.00 -1.82 0.00 0.00 70.33 67.68 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k77 s ILE 78 N -4.22 4.13 0.11 12.58 1.09 -1.26 -4.71 121.20 128.93 2k77 s ILE 78 Ca 0.00 1.64 0.05 0.00 -1.10 0.00 0.00 60.65 61.24 2k77 s ILE 78 Cb 0.00 -3.85 -0.04 0.00 -1.06 0.00 0.00 42.46 37.52 2k77 s ILE 78 CO 0.00 0.02 -0.13 -1.00 -0.10 0.00 0.00 174.94 173.72 2k77 s HIS 79 N -1.74 1.30 -0.02 3.97 3.76 -1.07 -4.97 115.29 116.53 2k77 s HIS 79 Ca 0.54 -0.56 -0.19 0.00 -0.15 0.00 0.00 55.06 54.71 2k77 s HIS 79 Cb -0.17 -0.69 -0.05 0.00 1.11 0.00 0.00 32.58 32.77 2k77 s HIS 79 CO 0.22 0.10 0.53 0.71 -0.85 0.00 0.00 174.74 175.45 2k77 s TYR 80 N -2.06 3.66 0.88 1.40 1.51 -1.26 -0.60 117.35 120.89 2k77 s TYR 80 Ca 0.06 1.09 -0.11 0.00 -1.01 0.00 0.00 57.07 57.11 2k77 s TYR 80 Cb -0.05 -2.52 0.12 0.00 -0.11 0.00 0.00 41.96 39.40 2k77 s TYR 80 CO 0.02 0.39 1.10 0.95 -1.11 0.00 0.00 175.55 176.90 2k77 s THR 81 N -0.26 2.70 0.40 -0.71 -4.23 -0.56 -4.75 115.64 108.23 2k77 s THR 81 Ca 0.28 0.23 0.12 0.00 -1.18 0.00 0.00 61.69 61.14 2k77 s THR 81 Cb -0.17 -2.59 0.33 0.00 1.34 0.00 0.00 72.50 71.41 2k77 s THR 81 CO 0.15 -0.30 1.92 -0.65 -0.54 0.00 0.00 174.62 175.21 2k77 h PRO 82 N -1.57 0.53 -0.03 3.99 0.11 -1.98 0.17 132.00 133.21 2k77 h PRO 82 Ca -0.47 -0.03 -0.23 0.00 0.11 0.00 0.00 66.00 65.37 2k77 h PRO 82 Cb 1.27 -0.12 0.01 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.51 0.35 -0.92 0.00 -0.21 0.00 0.00 178.00 177.73 2k77 h ARG 83 N 0.55 0.53 -0.49 1.05 3.08 -1.95 -1.18 114.38 115.97 2k77 h ARG 83 Ca 0.36 -0.53 -0.08 0.00 0.07 0.00 0.00 59.98 59.80 2k77 h ARG 83 Cb 0.66 0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.83 2k77 h ARG 83 CO -0.13 1.16 -0.02 0.00 -1.07 0.00 0.00 179.97 179.91 2k77 h ALA 84 N 0.66 0.67 -0.75 0.04 0.00 -1.67 0.23 119.26 118.44 2k77 h ALA 84 Ca -0.08 -0.29 0.03 0.00 0.00 0.00 0.00 54.91 54.56 2k77 h ALA 84 Cb 1.55 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 19.11 2k77 h ALA 84 CO 0.17 0.49 0.48 -0.22 0.00 0.00 0.00 179.25 180.17 2k77 h LYS 85 N 0.74 0.91 -0.65 0.00 3.64 -1.02 -0.66 116.57 119.54 2k77 h LYS 85 Ca 0.14 -0.05 0.01 0.00 -1.27 0.00 0.00 60.65 59.47 2k77 h LYS 85 Cb 0.54 -0.21 -0.03 0.00 -0.41 0.00 0.00 32.23 32.12 2k77 h LYS 85 CO 0.03 0.60 0.43 -0.22 -2.27 0.00 0.00 179.45 178.02 2k77 h LYS 86 N 0.94 0.84 -0.53 1.90 3.64 -0.91 -2.13 116.57 120.31 2k77 h LYS 86 Ca 0.29 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.58 2k77 h LYS 86 Cb -0.01 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 31.60 2k77 h LYS 86 CO -0.10 0.56 0.14 0.28 -2.27 0.00 0.00 179.45 178.06 2k77 h VAL 87 N 0.87 1.22 -0.75 2.00 2.07 -0.31 0.16 116.25 121.50 2k77 h VAL 87 Ca 0.24 -0.77 -0.04 0.00 0.82 0.00 0.00 66.70 66.95 2k77 h VAL 87 Cb -0.08 0.66 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2k77 h VAL 87 CO -0.06 0.29 0.29 0.40 0.02 0.00 0.00 177.57 178.51 2k77 h ILE 88 N 0.78 1.25 -0.19 4.57 1.08 -0.81 0.57 117.51 124.76 2k77 h ILE 88 Ca 0.18 -0.80 -0.21 0.00 -0.39 0.00 0.00 64.86 63.64 2k77 h ILE 88 Cb 0.27 0.36 0.01 0.00 -3.07 0.00 0.00 36.82 34.38 2k77 h ILE 88 CO -0.00 0.32 -0.70 -0.33 -0.69 0.00 0.00 178.15 176.75 2k77 h GLU 89 N 1.09 0.82 -0.19 2.37 5.08 -0.86 -3.02 114.58 119.86 2k77 h GLU 89 Ca 0.25 -0.62 -0.20 0.00 -1.00 0.00 0.00 59.36 57.79 2k77 h GLU 89 Cb 0.21 0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.58 2k77 h GLU 89 CO -0.02 1.24 -0.69 -0.07 -1.00 0.00 0.00 179.01 178.47 2k77 h LEU 90 N 0.57 0.88 -1.24 1.33 3.38 -0.56 -0.81 115.31 118.86 2k77 h LEU 90 Ca -0.03 -0.54 -0.05 0.00 0.09 0.00 0.00 57.88 57.34 2k77 h LEU 90 Cb 1.33 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2k77 h LEU 90 CO 0.15 1.33 -0.04 0.77 0.09 0.00 0.00 178.44 180.74 2k77 h SER 91 N 0.54 0.45 -0.16 -0.43 4.64 -1.01 0.13 113.55 117.71 2k77 h SER 91 Ca -0.03 -0.09 -0.15 0.00 -0.47 0.00 0.00 61.79 61.05 2k77 h SER 91 Cb 1.30 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 63.27 2k77 h SER 91 CO 0.14 0.54 -0.44 -0.03 -0.87 0.00 0.00 176.83 176.17 2k77 h MET 92 N 0.46 0.71 -0.62 4.77 1.85 -1.39 -0.91 114.93 119.81 2k77 h MET 92 Ca 0.10 -0.39 -0.08 0.00 -0.61 0.00 0.00 59.70 58.71 2k77 h MET 92 Cb 0.36 0.02 -0.02 0.00 0.43 0.00 0.00 31.60 32.39 2k77 h MET 92 CO 0.01 1.01 0.06 0.22 -0.40 0.00 0.00 176.91 177.81 2k77 h ASP 93 N 0.58 1.02 -0.68 1.39 3.58 -0.81 -1.31 116.42 120.18 2k77 h ASP 93 Ca 0.04 -0.28 -0.06 0.00 0.42 0.00 0.00 57.03 57.15 2k77 h ASP 93 Cb 0.99 -0.27 -0.03 0.00 1.72 0.00 0.00 39.33 41.74 2k77 h ASP 93 CO 0.09 1.05 0.19 -0.33 -2.88 0.00 0.00 179.24 177.36 2k77 h GLU 94 N 0.96 1.08 -0.43 0.28 4.39 -0.90 0.15 114.58 120.10 2k77 h GLU 94 Ca 0.18 -0.25 -0.02 0.00 0.34 0.00 0.00 59.36 59.62 2k77 h GLU 94 Cb 0.49 -0.15 -0.02 0.00 -0.10 0.00 0.00 28.75 28.97 2k77 h GLU 94 CO 0.02 0.95 0.21 0.00 -1.16 0.00 0.00 179.01 179.02 2k77 h ALA 95 N 1.08 0.56 -0.73 3.43 0.00 -1.06 -1.78 119.26 120.77 2k77 h ALA 95 Ca 0.22 -0.11 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 95 Cb 0.34 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 95 CO -0.00 0.12 0.20 -0.09 0.00 0.00 0.00 179.25 179.48 2k77 h ARG 96 N 0.56 1.15 -0.40 0.00 2.43 -1.09 -0.61 114.38 116.42 2k77 h ARG 96 Ca 0.15 -0.26 -0.01 0.00 -0.81 0.00 0.00 59.98 59.05 2k77 h ARG 96 Cb 0.12 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 2k77 h ARG 96 CO -0.02 0.99 0.20 0.87 -1.51 0.00 0.00 179.97 180.51 2k77 h LYS 97 N 1.09 0.56 -0.00 0.20 1.57 -0.81 -1.64 116.57 117.54 2k77 h LYS 97 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k77 h LYS 97 Cb 0.34 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.54 2k77 h LYS 97 CO -0.00 0.43 -0.07 1.28 -0.57 0.00 0.00 179.45 180.51 2k77 n LEU 98 N -4.41 0.17 -0.26 2.94 4.32 -0.68 -4.95 117.00 114.12 2k77 n LEU 98 Ca 0.03 0.25 -0.03 0.00 -0.02 0.00 0.00 56.01 56.23 2k77 n LEU 98 Cb 0.11 -0.31 -0.01 0.00 -1.62 0.00 0.00 43.42 41.58 2k77 n LEU 98 CO 0.36 0.03 -0.03 0.61 -1.22 0.00 0.00 177.39 177.14 2k77 n GLY 99 N 1.36 0.63 3.72 -0.72 0.00 -0.62 -5.03 105.19 104.53 2k77 n GLY 99 Ca 0.12 -0.42 -0.41 0.00 0.00 0.00 0.00 46.02 45.30 2k77 n GLY 99 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2k77 s HIS 100 N -1.99 3.70 -1.80 1.61 3.76 -0.31 -4.97 115.29 115.29 2k77 s HIS 100 Ca 0.00 1.68 0.02 0.00 -0.15 0.00 0.00 55.06 56.61 2k77 s HIS 100 Cb 0.00 -3.06 0.07 0.00 1.11 0.00 0.00 32.58 30.70 2k77 s HIS 100 CO 0.00 0.07 0.98 -1.13 -0.85 0.00 0.00 174.74 173.82 2k77 n SER 101 N 3.52 0.63 -3.52 1.40 3.41 -1.26 -4.16 113.62 113.64 2k77 n SER 101 Ca 0.04 -2.02 -0.10 0.00 -0.26 0.00 0.00 58.87 56.53 2k77 n SER 101 Cb 0.50 -0.14 -0.02 0.00 -0.26 0.00 0.00 64.21 64.29 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2k77 s TYR 102 N -1.76 -0.44 -0.31 7.33 -0.85 -1.26 -4.78 117.35 115.28 2k77 s TYR 102 Ca 0.06 0.20 -0.20 0.00 -0.52 0.00 0.00 57.07 56.60 2k77 s TYR 102 Cb 0.03 0.58 -0.01 0.00 0.38 0.00 0.00 41.96 42.95 2k77 s TYR 102 CO 0.03 -0.86 0.61 0.08 -1.52 0.00 0.00 175.55 173.89 2k77 s VAL 103 N -3.66 4.95 0.77 -3.49 1.01 0.10 -4.89 120.40 115.20 2k77 s VAL 103 Ca 0.04 0.79 -0.06 0.00 0.00 0.00 0.00 61.98 62.75 2k77 s VAL 103 Cb -0.02 -3.99 0.13 0.00 0.00 0.00 0.00 36.38 32.50 2k77 s VAL 103 CO -0.09 -0.14 1.07 -0.83 0.00 0.00 0.00 175.10 175.12 2k77 s GLY 104 N 1.65 1.75 0.23 4.51 0.00 -1.26 -1.25 107.32 112.96 2k77 s GLY 104 Ca 0.24 -1.39 -0.08 0.00 0.00 0.00 0.00 44.72 43.49 2k77 s GLY 104 CO 0.12 -0.82 1.89 -0.91 0.00 0.00 0.00 173.10 173.38 2k77 h THR 105 N -0.81 1.19 -0.43 0.90 1.35 -1.93 -1.40 112.91 111.79 2k77 h THR 105 Ca -0.41 -0.39 0.09 0.00 -0.55 0.00 0.00 66.41 65.15 2k77 h THR 105 Cb 1.27 -0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 67.54 2k77 h THR 105 CO 0.45 0.21 -0.28 1.05 -0.25 0.00 0.00 175.52 176.69 2k77 h GLU 106 N 1.14 -0.19 -0.12 4.72 9.09 -1.93 -2.13 114.58 125.15 2k77 h GLU 106 Ca 0.33 0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.64 2k77 h GLU 106 Cb -0.08 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.05 2k77 h GLU 106 CO -0.09 -0.13 -0.42 0.45 0.05 0.00 0.00 179.01 178.87 2k77 h HIS 107 N -0.20 0.33 -0.25 2.06 3.86 -1.76 -1.47 115.15 117.71 2k77 h HIS 107 Ca 0.19 -0.09 0.04 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 107 Cb 0.51 -0.07 -0.04 0.00 1.06 0.00 0.00 27.41 28.87 2k77 h HIS 107 CO -0.52 0.66 0.03 0.82 0.86 0.00 0.00 177.93 179.78 2k77 h ILE 108 N 0.23 0.86 -0.52 2.45 2.04 -0.88 -0.33 117.51 121.36 2k77 h ILE 108 Ca 0.02 -0.04 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2k77 h ILE 108 Cb 0.84 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.63 2k77 h ILE 108 CO 0.07 0.02 0.17 0.25 0.00 0.00 0.00 178.15 178.66 2k77 h LEU 109 N 0.12 0.74 -1.52 1.44 5.85 -1.00 -1.04 115.31 119.90 2k77 h LEU 109 Ca 0.12 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.73 2k77 h LEU 109 Cb 0.13 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.93 2k77 h LEU 109 CO -0.17 0.74 0.43 -0.07 -0.34 0.00 0.00 178.44 179.03 2k77 h LEU 110 N 0.70 0.50 -0.36 2.25 3.38 -1.03 -1.34 115.31 119.41 2k77 h LEU 110 Ca 0.17 0.01 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 2k77 h LEU 110 Cb 0.25 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 110 CO -0.01 0.31 0.06 1.23 0.09 0.00 0.00 178.44 180.12 2k77 h GLY 111 N 0.56 0.64 0.96 0.83 0.00 -0.38 -1.33 103.07 104.34 2k77 h GLY 111 Ca 0.29 -0.42 0.01 0.00 0.00 0.00 0.00 47.33 47.21 2k77 h GLY 111 CO -0.09 0.39 0.25 1.41 0.00 0.00 0.00 176.54 178.50 2k77 h LEU 112 N 0.43 0.42 -0.51 3.11 3.38 -0.15 -1.11 115.31 120.88 2k77 h LEU 112 Ca 0.11 -0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 112 Cb 0.35 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k77 h LEU 112 CO 0.01 0.31 -0.73 0.16 0.09 0.00 0.00 178.44 178.28 2k77 h ILE 113 N 0.51 1.46 -0.11 1.22 3.07 -1.39 -3.12 117.51 119.16 2k77 h ILE 113 Ca 0.15 -2.34 -0.06 0.00 1.55 0.00 0.00 64.86 64.17 2k77 h ILE 113 Cb -0.03 2.26 -0.01 0.00 -0.27 0.00 0.00 36.82 38.77 2k77 h ILE 113 CO -0.05 0.68 -0.19 -0.09 -1.05 0.00 0.00 178.15 177.45 2k77 h ARG 114 N 0.09 0.18 0.11 0.16 9.65 -1.00 -2.93 114.38 120.64 2k77 h ARG 114 Ca -0.02 -0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.81 2k77 h ARG 114 Cb 1.28 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.84 2k77 h ARG 114 CO 0.11 0.37 -0.05 1.49 2.80 0.00 0.00 179.97 184.68 2k77 h GLU 115 N 0.17 -0.14 0.00 0.20 4.22 -1.15 -3.47 114.58 114.41 2k77 h GLU 115 Ca 0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.48 2k77 h GLU 115 Cb 0.43 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.72 2k77 h GLU 115 CO 0.03 -0.00 0.00 0.41 -2.18 0.00 0.00 179.01 177.27 2k77 n GLY 116 N -0.87 1.19 0.00 1.92 0.00 -1.11 -4.69 105.19 101.64 2k77 n GLY 116 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 2.86 -0.62 1.61 2.13 -1.26 -4.83 120.64 118.53 2k77 n GLU 117 Ca 0.00 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.53 2k77 n GLU 117 Cb 0.00 -0.70 0.25 0.00 0.27 0.00 0.00 31.44 31.26 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 -1.17 1.52 0.32 8.31 0.00 -1.26 -4.83 107.32 110.20 2k77 s GLY 118 Ca 0.00 -0.36 0.01 0.00 0.00 0.00 0.00 44.72 44.37 2k77 s GLY 118 CO 0.00 0.42 1.94 -2.08 0.00 0.00 0.00 173.10 173.39 2k77 h VAL 119 N -2.71 1.19 -0.29 1.40 2.07 -1.98 -2.90 116.25 113.03 2k77 h VAL 119 Ca -0.58 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 66.49 2k77 h VAL 119 Cb 1.34 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.44 2k77 h VAL 119 CO 0.47 0.21 0.07 0.00 0.02 0.00 0.00 177.57 178.35 2k77 h ALA 120 N 1.50 0.31 -0.74 1.67 0.00 -1.92 0.58 119.26 120.66 2k77 h ALA 120 Ca 0.22 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 55.16 2k77 h ALA 120 Cb 0.04 0.05 -0.04 0.00 0.00 0.00 0.00 17.79 17.84 2k77 h ALA 120 CO -0.03 -0.34 0.40 0.00 0.00 0.00 0.00 179.25 179.28 2k77 h ALA 121 N 1.20 1.31 -0.26 0.00 0.00 -1.72 -2.24 119.26 117.55 2k77 h ALA 121 Ca 0.13 -0.12 -0.18 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 121 Cb 0.13 -0.30 -0.00 0.00 0.00 0.00 0.00 17.79 17.62 2k77 h ALA 121 CO -0.16 0.56 -0.56 0.00 0.00 0.00 0.00 179.25 179.09 2k77 h ARG 122 N 1.04 0.81 -0.21 0.00 3.08 -1.23 -1.93 114.38 115.94 2k77 h ARG 122 Ca 0.26 -0.52 0.00 0.00 0.07 0.00 0.00 59.98 59.80 2k77 h ARG 122 Cb 0.03 0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.13 2k77 h ARG 122 CO -0.04 1.15 0.14 0.28 -1.07 0.00 0.00 179.97 180.43 2k77 h VAL 123 N 0.62 1.06 -0.35 2.04 2.07 -0.77 -0.11 116.25 120.80 2k77 h VAL 123 Ca 0.01 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 67.43 2k77 h VAL 123 Cb 1.15 0.74 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 2k77 h VAL 123 CO 0.12 0.05 0.22 -0.07 0.02 0.00 0.00 177.57 177.91 2k77 h LEU 124 N 0.29 0.42 -0.88 2.57 3.38 -1.38 -1.96 115.31 117.74 2k77 h LEU 124 Ca 0.08 -0.04 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 124 Cb -0.03 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 40.60 2k77 h LEU 124 CO -0.02 0.33 -0.32 0.78 0.09 0.00 0.00 178.44 179.30 2k77 h ASN 125 N 0.47 0.45 1.68 -0.43 2.35 -1.18 0.18 115.58 119.10 2k77 h ASN 125 Ca 0.13 -0.17 -0.03 0.00 -0.55 0.00 0.00 56.30 55.67 2k77 h ASN 125 Cb -0.02 -0.12 -0.00 0.00 0.05 0.00 0.00 38.32 38.22 2k77 h ASN 125 CO -0.03 0.75 -0.15 -0.55 -1.65 0.00 0.00 177.43 175.81 2k77 h ASN 126 N 0.38 0.00 0.38 5.81 -1.07 -0.85 -3.17 115.58 117.06 2k77 h ASN 126 Ca 0.05 0.00 -0.32 0.00 0.07 0.00 0.00 56.30 56.10 2k77 h ASN 126 Cb 0.76 0.00 0.02 0.00 -2.07 0.00 0.00 38.32 37.03 2k77 h ASN 126 CO 0.06 0.15 -1.45 -0.07 0.07 0.00 0.00 177.43 176.20 2k77 h LEU 127 N 0.00 0.67 0.00 6.14 3.38 -1.22 -3.49 115.31 120.79 2k77 h LEU 127 Ca -0.00 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 57.22 2k77 h LEU 127 Cb 1.04 -0.22 0.00 0.00 0.09 0.00 0.00 40.66 41.57 2k77 h LEU 127 CO 0.02 1.60 0.00 0.61 0.09 0.00 0.00 178.44 180.76 2k77 n GLY 128 N 1.67 -0.11 3.77 0.83 0.00 -0.36 -5.10 105.19 105.90 2k77 n GLY 128 Ca -0.15 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.36 3.78 0.21 1.61 1.01 -0.09 -4.93 120.40 121.63 2k77 s VAL 129 Ca 0.00 1.60 0.05 0.00 0.00 0.00 0.00 61.98 63.63 2k77 s VAL 129 Cb 0.00 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.39 2k77 s VAL 129 CO 0.00 0.24 -0.08 -0.44 0.00 0.00 0.00 175.10 174.82 2k77 s SER 130 N -1.26 2.17 0.21 3.32 0.01 -1.26 -2.81 113.70 114.07 2k77 s SER 130 Ca 0.49 -1.10 -0.11 0.00 1.31 0.00 0.00 55.95 56.53 2k77 s SER 130 Cb -0.26 -0.06 0.27 0.00 0.21 0.00 0.00 66.02 66.17 2k77 s SER 130 CO 0.32 -0.34 1.68 0.25 0.41 0.00 0.00 173.24 175.56 2k77 h LEU 131 N 2.55 -0.19 -0.47 2.44 6.46 -1.98 -0.99 115.31 123.14 2k77 h LEU 131 Ca -0.38 0.13 -0.14 0.00 -0.12 0.00 0.00 57.88 57.37 2k77 h LEU 131 Cb 1.21 0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 41.35 2k77 h LEU 131 CO 0.64 -0.07 -0.67 0.78 -0.62 0.00 0.00 178.44 178.50 2k77 h ASN 132 N 0.15 0.00 -0.05 1.25 2.35 -1.98 -1.40 115.58 115.90 2k77 h ASN 132 Ca 0.30 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 56.04 2k77 h ASN 132 Cb 0.47 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.84 2k77 h ASN 132 CO -0.47 0.67 -0.03 0.11 -1.65 0.00 0.00 177.43 176.06 2k77 h LYS 133 N 0.00 0.10 -0.38 0.81 1.57 -1.70 -1.70 116.57 115.28 2k77 h LYS 133 Ca -0.01 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 133 Cb 1.30 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.59 2k77 h LYS 133 CO 0.09 0.52 0.18 0.00 -0.57 0.00 0.00 179.45 179.67 2k77 h ALA 134 N 0.58 0.49 0.04 3.86 0.00 -1.27 -2.36 119.26 120.60 2k77 h ALA 134 Ca 0.01 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 134 Cb 0.50 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.11 2k77 h ALA 134 CO 0.01 0.06 -0.19 0.00 0.00 0.00 0.00 179.25 179.13 2k77 h ARG 135 N 0.48 -0.31 -0.81 0.00 3.08 -1.28 -0.95 114.38 114.59 2k77 h ARG 135 Ca 0.13 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2k77 h ARG 135 Cb 0.13 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.21 2k77 h ARG 135 CO -0.02 -0.21 0.40 1.96 -1.07 0.00 0.00 179.97 181.03 2k77 h GLN 136 N -0.33 1.16 -0.27 0.04 4.20 -1.22 0.62 115.11 119.32 2k77 h GLN 136 Ca 0.05 -0.17 -0.16 0.00 0.06 0.00 0.00 58.65 58.43 2k77 h GLN 136 Cb 0.38 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.95 2k77 h GLN 136 CO -0.15 0.89 -0.47 1.96 -0.67 0.00 0.00 178.83 180.39 2k77 h GLN 137 N 1.15 0.79 -0.24 1.46 1.08 -1.32 -2.20 115.11 115.82 2k77 h GLN 137 Ca 0.28 -0.49 -0.05 0.00 -1.45 0.00 0.00 58.65 56.94 2k77 h GLN 137 Cb 0.11 0.05 -0.01 0.00 -0.05 0.00 0.00 27.48 27.59 2k77 h GLN 137 CO -0.04 1.12 -0.04 0.28 -0.95 0.00 0.00 178.83 179.21 2k77 h VAL 138 N 0.55 1.28 0.00 -0.54 2.07 -0.96 0.16 116.25 118.81 2k77 h VAL 138 Ca 0.02 -1.02 -0.04 0.00 0.82 0.00 0.00 66.70 66.48 2k77 h VAL 138 Cb 1.07 1.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.30 2k77 h VAL 138 CO 0.11 0.32 -0.21 -0.07 0.02 0.00 0.00 177.57 177.73 2k77 h LEU 139 N 0.20 0.00 0.00 2.57 3.38 -0.94 -2.02 115.31 118.50 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 0.49 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.24 2k77 h LEU 139 CO 0.02 0.21 -0.07 1.56 0.09 0.00 0.00 178.44 180.25 2k77 h GLN 140 N 0.00 0.00 0.00 1.13 4.20 -1.34 -3.41 115.11 115.69 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 0.56 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.34 2k77 h GLN 140 CO 0.03 0.56 0.00 1.25 -0.67 0.00 0.00 178.83 179.99 2k77 h LEU 141 N -1.00 0.00 -0.08 1.46 5.85 -0.80 0.12 115.31 120.86 2k77 h LEU 141 Ca -0.02 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.70 2k77 h LEU 141 Cb 0.59 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.62 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 -2.93 0.05 0.00 2.25 -0.00 -0.78 -4.69 117.00 110.91 2k77 n LEU 142 Ca -0.00 0.52 0.00 0.00 -0.00 0.00 0.00 56.01 56.53 2k77 n LEU 142 Cb 0.22 -0.51 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2k77 n LEU 142 CO 0.24 -0.37 0.00 0.61 -0.00 0.00 0.00 177.39 177.86 2k77 n GLY 143 N -0.55 -0.02 0.48 1.47 0.00 -1.01 -5.04 105.19 100.52 2k77 n GLY 143 Ca 0.02 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.13 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 1.93 0.00 1.61 7.64 0.25 -5.13 113.62 119.93 2k77 n SER 144 Ca 0.00 -1.46 0.13 0.00 1.01 0.00 0.00 58.87 58.55 2k77 n SER 144 Cb 0.00 0.40 0.80 0.00 -1.01 0.00 0.00 64.21 64.40 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83