#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 0.29 -0.19 0.03 -2.45 -1.26 -5.08 119.30 110.63 2k77 s MET 2 Ca 0.00 -0.09 0.16 0.00 -1.25 0.00 0.00 55.69 54.51 2k77 s MET 2 Cb 0.00 -0.31 0.61 0.00 1.25 0.00 0.00 34.83 36.38 2k77 s MET 2 CO 0.00 0.04 1.51 1.19 1.05 0.00 0.00 175.02 178.81 2k77 n PHE 3 N 3.19 1.24 -0.06 4.11 3.01 -1.26 -4.83 117.46 122.86 2k77 n PHE 3 Ca -0.15 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.47 2k77 n PHE 3 Cb 0.57 -0.37 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2k77 n GLY 4 N -0.22 1.89 3.05 1.37 0.00 -1.26 -4.25 105.19 105.76 2k77 n GLY 4 Ca 0.23 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 46.10 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 0.41 0.59 0.07 1.61 1.81 -1.26 -5.08 118.95 117.09 2k77 s ARG 5 Ca 0.00 -0.61 0.07 0.00 -1.72 0.00 0.00 55.73 53.48 2k77 s ARG 5 Cb 0.00 -0.48 -0.04 0.00 -0.45 0.00 0.00 34.95 33.99 2k77 s ARG 5 CO 0.00 0.11 -0.16 -0.06 -0.68 0.00 0.00 175.30 174.51 2k77 s PHE 6 N -0.92 2.60 0.98 -0.53 0.40 -1.26 -0.60 117.98 118.65 2k77 s PHE 6 Ca -0.04 -0.23 -0.12 0.00 -0.60 0.00 0.00 56.93 55.94 2k77 s PHE 6 Cb -0.07 -1.44 0.18 0.00 0.51 0.00 0.00 43.02 42.19 2k77 s PHE 6 CO 0.00 0.32 1.08 0.95 0.70 0.00 0.00 175.22 178.27 2k77 s THR 7 N -1.02 2.36 0.42 0.64 -4.23 -0.34 -4.73 115.64 108.73 2k77 s THR 7 Ca 0.16 0.12 0.09 0.00 -1.18 0.00 0.00 61.69 60.88 2k77 s THR 7 Cb -0.11 -2.42 0.23 0.00 1.34 0.00 0.00 72.50 71.54 2k77 s THR 7 CO 0.08 -0.15 2.02 -0.33 -0.54 0.00 0.00 174.62 175.70 2k77 h GLU 8 N -1.91 0.38 -0.37 3.99 5.08 -1.99 0.11 114.58 119.87 2k77 h GLU 8 Ca -0.52 -0.04 -0.04 0.00 -1.00 0.00 0.00 59.36 57.76 2k77 h GLU 8 Cb 1.30 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.46 2k77 h GLU 8 CO 0.52 0.32 0.08 0.00 -1.00 0.00 0.00 179.01 178.93 2k77 h ARG 9 N 0.39 0.61 -0.20 2.33 3.08 -1.96 -2.72 114.38 115.91 2k77 h ARG 9 Ca 0.10 -0.15 -0.20 0.00 0.07 0.00 0.00 59.98 59.79 2k77 h ARG 9 Cb 0.08 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.06 2k77 h ARG 9 CO -0.01 0.65 -0.68 0.00 -1.07 0.00 0.00 179.97 178.86 2k77 h ALA 10 N 0.93 0.41 -0.50 0.04 0.00 -1.73 -2.98 119.26 115.43 2k77 h ALA 10 Ca 0.12 -0.56 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 2k77 h ALA 10 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 2k77 h ALA 10 CO 0.00 0.69 0.29 1.96 0.00 0.00 0.00 179.25 182.19 2k77 h GLN 11 N 0.57 0.67 -0.33 0.00 4.20 -1.04 -1.90 115.11 117.27 2k77 h GLN 11 Ca -0.02 -0.06 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 2k77 h GLN 11 Cb 1.29 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 2k77 h GLN 11 CO 0.14 0.48 0.19 0.87 -0.67 0.00 0.00 178.83 179.84 2k77 h LYS 12 N 0.68 0.45 -0.72 1.46 1.57 -1.34 -0.70 116.57 117.98 2k77 h LYS 12 Ca 0.18 -0.05 -0.05 0.00 -1.87 0.00 0.00 60.65 58.86 2k77 h LYS 12 Cb -0.01 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2k77 h LYS 12 CO -0.03 0.36 0.24 -0.39 -0.57 0.00 0.00 179.45 179.05 2k77 h VAL 13 N 0.42 1.25 -0.01 0.50 -1.51 -1.27 -0.11 116.25 115.52 2k77 h VAL 13 Ca 0.12 -0.86 -0.16 0.00 -1.23 0.00 0.00 66.70 64.57 2k77 h VAL 13 Cb 0.03 0.44 -0.02 0.00 -2.13 0.00 0.00 31.29 29.61 2k77 h VAL 13 CO -0.02 0.34 -0.75 -0.07 -1.23 0.00 0.00 177.57 175.84 2k77 h LEU 14 N 1.06 0.09 -0.40 4.19 3.38 -1.30 -0.22 115.31 122.11 2k77 h LEU 14 Ca 0.24 -0.07 -0.16 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 14 Cb 0.27 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k77 h LEU 14 CO -0.01 0.80 -0.43 0.00 0.09 0.00 0.00 178.44 178.90 2k77 h ALA 15 N 1.19 0.58 -0.06 1.53 0.00 -0.88 -3.21 119.26 118.41 2k77 h ALA 15 Ca -0.02 -0.47 -0.13 0.00 0.00 0.00 0.00 54.91 54.29 2k77 h ALA 15 Cb 1.31 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k77 h ALA 15 CO 0.10 0.68 -0.56 -0.07 0.00 0.00 0.00 179.25 179.40 2k77 h LEU 16 N 0.72 0.19 -1.74 0.00 3.38 -0.93 -3.12 115.31 113.80 2k77 h LEU 16 Ca 0.05 -0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 16 Cb 1.02 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2k77 h LEU 16 CO 0.10 0.71 0.33 0.00 0.09 0.00 0.00 178.44 179.67 2k77 h ALA 17 N 1.29 2.04 -0.11 1.53 0.00 -1.04 -0.03 119.26 122.95 2k77 h ALA 17 Ca -0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 2k77 h ALA 17 Cb 1.03 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 2k77 h ALA 17 CO 0.08 -0.15 0.01 0.37 0.00 0.00 0.00 179.25 179.56 2k77 h GLN 18 N 0.31 0.19 -0.49 0.00 4.15 -1.60 -1.10 115.11 116.57 2k77 h GLN 18 Ca 0.22 -0.06 -0.06 0.00 0.77 0.00 0.00 58.65 59.52 2k77 h GLN 18 Cb 0.45 -0.02 -0.02 0.00 0.21 0.00 0.00 27.48 28.11 2k77 h GLN 18 CO -0.05 0.42 0.05 1.49 -1.93 0.00 0.00 178.83 178.81 2k77 h GLU 19 N -0.07 0.82 -0.74 1.69 4.81 -1.43 -1.40 114.58 118.26 2k77 h GLU 19 Ca 0.03 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 58.99 2k77 h GLU 19 Cb 0.33 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 2k77 h GLU 19 CO 0.00 0.84 0.33 0.93 -0.73 0.00 0.00 179.01 180.39 2k77 h GLU 20 N 0.69 1.08 -0.24 1.92 4.39 -1.06 0.34 114.58 121.70 2k77 h GLU 20 Ca 0.14 -0.17 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2k77 h GLU 20 Cb 0.43 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.88 2k77 h GLU 20 CO 0.01 0.85 0.12 0.00 -1.16 0.00 0.00 179.01 178.83 2k77 h ALA 21 N 1.30 0.31 -0.21 3.43 0.00 -1.01 -2.60 119.26 120.47 2k77 h ALA 21 Ca 0.25 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 2k77 h ALA 21 Cb 0.15 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 2k77 h ALA 21 CO -0.03 -0.12 -0.26 -0.07 0.00 0.00 0.00 179.25 178.77 2k77 h LEU 22 N 0.26 0.40 -1.21 0.00 3.38 -0.85 -0.18 115.31 117.11 2k77 h LEU 22 Ca 0.08 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 22 Cb 0.12 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.74 2k77 h LEU 22 CO -0.01 0.65 0.18 0.03 0.09 0.00 0.00 178.44 179.38 2k77 h ARG 23 N 0.35 0.73 -0.00 1.13 3.08 -0.90 -2.66 114.38 116.11 2k77 h ARG 23 Ca 0.05 -0.11 0.00 0.00 0.07 0.00 0.00 59.98 59.99 2k77 h ARG 23 Cb 0.64 -0.13 0.00 0.00 0.08 0.00 0.00 29.97 30.56 2k77 h ARG 23 CO 0.05 0.62 -0.03 -0.11 -1.07 0.00 0.00 179.97 179.42 2k77 n LEU 24 N -4.33 0.14 -0.55 3.04 0.00 -0.83 -4.93 117.00 109.54 2k77 n LEU 24 Ca 0.04 0.17 -0.06 0.00 0.00 0.00 0.00 56.01 56.16 2k77 n LEU 24 Cb 0.17 -0.22 -0.01 0.00 0.00 0.00 0.00 43.42 43.36 2k77 n LEU 24 CO 0.38 0.03 -0.06 0.61 0.00 0.00 0.00 177.39 178.34 2k77 n GLY 25 N 1.24 0.49 3.57 -3.96 0.00 -0.87 -4.35 105.19 101.32 2k77 n GLY 25 Ca 0.16 -0.72 -0.36 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.25 3.21 -0.31 1.61 3.76 -0.14 -0.98 115.29 120.19 2k77 s HIS 26 Ca 0.00 -0.02 0.02 0.00 -0.15 0.00 0.00 55.06 54.91 2k77 s HIS 26 Cb 0.00 -2.25 0.39 0.00 1.11 0.00 0.00 32.58 31.83 2k77 s HIS 26 CO 0.00 -0.10 1.66 0.09 -0.85 0.00 0.00 174.74 175.54 2k77 n ASN 27 N 4.52 4.13 -3.62 1.40 4.13 -0.27 -3.30 115.26 122.25 2k77 n ASN 27 Ca -0.15 -3.05 -0.12 0.00 1.68 0.00 0.00 54.58 52.93 2k77 n ASN 27 Cb 0.52 -0.78 -0.05 0.00 -1.54 0.00 0.00 39.78 37.93 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 -0.41 -0.32 -0.25 6.41 4.22 -1.26 -3.67 114.94 119.66 2k77 s ASN 28 Ca 0.36 -0.06 -0.09 0.00 -2.14 0.00 0.00 52.86 50.94 2k77 s ASN 28 Cb 0.30 0.46 -0.04 0.00 1.28 0.00 0.00 41.25 43.25 2k77 s ASN 28 CO 0.05 -0.75 0.12 -0.63 -2.04 0.00 0.00 177.10 173.85 2k77 s ILE 29 N -2.94 4.82 0.59 0.54 1.01 0.12 -4.87 121.20 120.47 2k77 s ILE 29 Ca -0.02 -0.00 0.08 0.00 0.00 0.00 0.00 60.65 60.71 2k77 s ILE 29 Cb 0.00 -3.26 0.08 0.00 0.01 0.00 0.00 42.46 39.30 2k77 s ILE 29 CO -0.06 0.33 0.67 -0.83 0.00 0.00 0.00 174.94 175.06 2k77 s GLY 30 N 1.37 1.96 0.29 6.18 0.00 -1.26 -1.24 107.32 114.62 2k77 s GLY 30 Ca 0.06 -1.82 0.01 0.00 0.00 0.00 0.00 44.72 42.98 2k77 s GLY 30 CO 0.05 -1.81 1.85 -0.91 0.00 0.00 0.00 173.10 172.29 2k77 h THR 31 N 0.32 0.95 -0.60 0.90 1.35 -1.92 -1.35 112.91 112.56 2k77 h THR 31 Ca -0.31 -0.34 0.12 0.00 -0.55 0.00 0.00 66.41 65.33 2k77 h THR 31 Cb 1.30 -0.14 -0.09 0.00 -1.73 0.00 0.00 68.15 67.49 2k77 h THR 31 CO 0.46 0.18 0.07 1.05 -0.25 0.00 0.00 175.52 177.03 2k77 h GLU 32 N 1.00 0.18 0.01 4.72 9.09 -1.94 -0.41 114.58 127.23 2k77 h GLU 32 Ca 0.47 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.68 2k77 h GLU 32 Cb 0.43 -0.04 -0.02 0.00 -1.65 0.00 0.00 28.75 27.47 2k77 h GLU 32 CO -0.23 0.12 -0.87 0.45 0.05 0.00 0.00 179.01 178.52 2k77 h HIS 33 N 0.18 0.12 -0.58 2.06 3.86 -1.62 -0.43 115.15 118.75 2k77 h HIS 33 Ca 0.32 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 33 Cb 0.49 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 28.93 2k77 h HIS 33 CO -0.30 0.91 0.03 0.82 0.86 0.00 0.00 177.93 180.25 2k77 h ILE 34 N 0.04 1.26 -0.51 2.45 2.04 -1.16 0.60 117.51 122.24 2k77 h ILE 34 Ca -0.03 -1.09 -0.06 0.00 1.00 0.00 0.00 64.86 64.68 2k77 h ILE 34 Cb 1.52 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.41 2k77 h ILE 34 CO 0.12 0.39 0.08 0.25 0.00 0.00 0.00 178.15 178.99 2k77 h LEU 35 N 0.89 0.81 -0.78 1.44 5.85 -0.90 -1.08 115.31 121.55 2k77 h LEU 35 Ca 0.17 -0.26 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 35 Cb 0.51 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.29 2k77 h LEU 35 CO 0.02 0.87 0.48 -0.07 -0.34 0.00 0.00 178.44 179.41 2k77 h LEU 36 N 0.72 0.93 -0.89 2.25 4.07 -1.00 -2.31 115.31 119.09 2k77 h LEU 36 Ca 0.15 -0.06 0.06 0.00 0.08 0.00 0.00 57.88 58.12 2k77 h LEU 36 Cb 0.41 -0.24 -0.06 0.00 1.08 0.00 0.00 40.66 41.85 2k77 h LEU 36 CO 0.01 0.71 0.56 1.23 -1.08 0.00 0.00 178.44 179.88 2k77 h GLY 37 N 1.07 1.34 0.87 0.83 0.00 -0.56 0.93 103.07 107.55 2k77 h GLY 37 Ca 0.28 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.19 2k77 h GLY 37 CO -0.05 0.30 -0.28 1.41 0.00 0.00 0.00 176.54 177.91 2k77 h LEU 38 N 1.03 -0.71 -0.96 3.11 3.38 -0.84 -1.67 115.31 118.65 2k77 h LEU 38 Ca 0.38 0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.36 2k77 h LEU 38 Cb 0.14 0.21 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 38 CO -0.16 -0.45 -0.15 -0.37 0.09 0.00 0.00 178.44 177.39 2k77 h VAL 39 N -0.71 0.35 -0.10 1.22 -1.51 -1.20 -0.27 116.25 114.03 2k77 h VAL 39 Ca -0.05 -1.03 -0.13 0.00 -1.23 0.00 0.00 66.70 64.26 2k77 h VAL 39 Cb 0.58 1.78 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2k77 h VAL 39 CO 0.05 0.15 -0.50 -0.09 -1.23 0.00 0.00 177.57 175.95 2k77 h ARG 40 N 0.00 0.26 -0.02 5.19 9.65 -0.77 -3.13 114.38 125.56 2k77 h ARG 40 Ca -0.00 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.72 2k77 h ARG 40 Cb 0.77 0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 2k77 h ARG 40 CO 0.02 0.70 -0.04 1.49 2.80 0.00 0.00 179.97 184.95 2k77 h GLU 41 N 0.21 0.05 0.00 0.20 4.22 -0.92 -3.48 114.58 114.86 2k77 h GLU 41 Ca 0.01 -0.04 0.00 0.00 0.08 0.00 0.00 59.36 59.41 2k77 h GLU 41 Cb 0.96 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.22 2k77 h GLU 41 CO 0.08 0.64 0.00 0.41 -2.18 0.00 0.00 179.01 177.96 2k77 n GLY 42 N 0.53 2.00 0.01 1.92 0.00 -0.15 -4.72 105.19 104.77 2k77 n GLY 42 Ca -0.09 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -1.98 3.43 -0.65 1.61 -0.58 -1.26 -4.42 120.64 116.79 2k77 n GLU 43 Ca 0.00 -0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2k77 n GLU 43 Cb 0.00 -1.03 0.18 0.00 -0.57 0.00 0.00 31.44 30.02 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k77 n GLY 44 N 2.88 -0.68 0.25 0.62 0.00 -1.26 -4.50 105.19 102.50 2k77 n GLY 44 Ca -0.02 -0.78 0.03 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.99 0.64 -0.39 -0.61 1.08 -1.95 0.24 117.51 114.53 2k77 h ILE 45 Ca -0.45 -0.12 -0.11 0.00 -0.39 0.00 0.00 64.86 63.79 2k77 h ILE 45 Cb 1.28 0.27 -0.01 0.00 -3.07 0.00 0.00 36.82 35.29 2k77 h ILE 45 CO 0.42 0.06 -0.17 0.00 -0.69 0.00 0.00 178.15 177.76 2k77 h ALA 46 N 1.51 0.55 -0.48 1.87 0.00 -1.91 0.57 119.26 121.38 2k77 h ALA 46 Ca 0.36 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 46 Cb 0.54 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 2k77 h ALA 46 CO -0.41 0.48 -0.03 0.00 0.00 0.00 0.00 179.25 179.29 2k77 h ALA 47 N 0.81 1.05 -0.38 0.00 0.00 -1.60 -0.17 119.26 118.97 2k77 h ALA 47 Ca 0.09 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 47 Cb 0.72 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k77 h ALA 47 CO 0.05 0.59 -0.17 -0.22 0.00 0.00 0.00 179.25 179.51 2k77 h LYS 48 N 0.75 0.70 -0.47 0.00 1.63 -0.90 -1.92 116.57 116.37 2k77 h LYS 48 Ca 0.14 -0.25 -0.10 0.00 -0.85 0.00 0.00 60.65 59.59 2k77 h LYS 48 Cb 0.50 -0.05 -0.01 0.00 -0.60 0.00 0.00 32.23 32.07 2k77 h LYS 48 CO 0.03 0.83 -0.09 0.00 -3.45 0.00 0.00 179.45 176.76 2k77 h ALA 49 N 1.19 0.64 -0.20 5.00 0.00 -0.49 0.35 119.26 125.75 2k77 h ALA 49 Ca 0.10 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.70 2k77 h ALA 49 Cb 0.64 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.24 2k77 h ALA 49 CO 0.04 0.52 0.07 -0.07 0.00 0.00 0.00 179.25 179.82 2k77 h LEU 50 N 0.73 0.09 -1.00 0.00 3.38 -0.93 -1.51 115.31 116.08 2k77 h LEU 50 Ca 0.12 0.02 -0.10 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 50 Cb 0.64 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 50 CO 0.04 0.08 -0.34 1.56 0.09 0.00 0.00 178.44 179.87 2k77 h GLN 51 N 0.17 0.30 -0.20 1.13 4.20 -1.28 -2.52 115.11 116.90 2k77 h GLN 51 Ca 0.08 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb 0.05 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 27.80 2k77 h GLN 51 CO -0.08 0.61 -0.18 0.00 -0.67 0.00 0.00 178.83 178.51 2k77 h ALA 52 N 1.39 1.33 0.00 3.87 0.00 -0.67 -1.65 119.26 123.52 2k77 h ALA 52 Ca 0.03 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 52 Cb 0.73 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2k77 h ALA 52 CO 0.06 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2k77 n LEU 53 N -4.20 0.00 0.00 0.00 4.77 -0.59 -4.87 117.00 112.12 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 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 2k77 n LEU 53 CO 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k77 n GLY 54 N 0.24 0.74 3.96 -0.72 0.00 -0.62 -4.98 105.19 103.80 2k77 n GLY 54 Ca 0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.77 2k77 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k77 s LEU 55 N 0.00 2.81 0.05 0.99 1.43 -0.98 -5.00 118.68 117.98 2k77 s LEU 55 Ca 0.00 -0.00 -0.26 0.00 -1.03 0.00 0.00 54.13 52.83 2k77 s LEU 55 Cb 0.00 -2.06 0.07 0.00 0.03 0.00 0.00 46.19 44.22 2k77 s LEU 55 CO 0.00 -2.57 0.62 -0.83 0.23 0.00 0.00 176.35 173.81 2k77 s GLY 56 N -4.89 -0.58 0.24 -3.19 0.00 -1.26 -4.36 107.32 93.28 2k77 s GLY 56 Ca 0.73 0.86 -0.06 0.00 0.00 0.00 0.00 44.72 46.25 2k77 s GLY 56 CO 0.51 0.53 1.89 1.76 0.00 0.00 0.00 173.10 177.78 2k77 h SER 57 N 2.53 0.97 0.39 1.64 0.02 -1.99 -1.64 113.55 115.48 2k77 h SER 57 Ca -0.31 -0.01 -0.11 0.00 -0.84 0.00 0.00 61.79 60.52 2k77 h SER 57 Cb 1.22 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2k77 h SER 57 CO 0.39 0.66 -0.49 1.05 -1.14 0.00 0.00 176.83 177.30 2k77 h GLU 58 N 1.13 0.12 -0.11 3.45 4.11 -1.98 -1.64 114.58 119.66 2k77 h GLU 58 Ca 0.35 -0.07 -0.19 0.00 0.07 0.00 0.00 59.36 59.52 2k77 h GLU 58 Cb -0.00 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.26 2k77 h GLU 58 CO -0.12 0.59 -0.69 0.87 0.07 0.00 0.00 179.01 179.73 2k77 h LYS 59 N 0.10 0.66 -0.21 1.06 1.79 -1.74 0.87 116.57 119.10 2k77 h LYS 59 Ca 0.00 -0.57 -0.01 0.00 -2.18 0.00 0.00 60.65 57.89 2k77 h LYS 59 Cb 0.91 0.13 -0.01 0.00 -1.58 0.00 0.00 32.23 31.68 2k77 h LYS 59 CO 0.07 1.18 0.07 0.82 -1.08 0.00 0.00 179.45 180.51 2k77 h ILE 60 N 0.32 1.18 -0.47 1.86 2.04 -1.48 -2.37 117.51 118.58 2k77 h ILE 60 Ca -0.06 -0.55 -0.11 0.00 1.00 0.00 0.00 64.86 65.14 2k77 h ILE 60 Cb 1.34 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.56 2k77 h ILE 60 CO 0.14 0.18 -0.15 -0.61 0.00 0.00 0.00 178.15 177.71 2k77 h GLN 61 N 0.17 0.89 -0.63 2.37 4.15 -1.20 -1.59 115.11 119.28 2k77 h GLN 61 Ca 0.07 -0.33 -0.09 0.00 0.77 0.00 0.00 58.65 59.07 2k77 h GLN 61 Cb 0.21 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.82 2k77 h GLN 61 CO -0.00 0.98 0.05 0.87 -1.93 0.00 0.00 178.83 178.80 2k77 h LYS 62 N 0.79 1.07 -0.52 1.69 1.57 -0.85 -0.13 116.57 120.20 2k77 h LYS 62 Ca 0.12 -0.31 -0.11 0.00 -1.87 0.00 0.00 60.65 58.49 2k77 h LYS 62 Cb 0.68 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.86 2k77 h LYS 62 CO 0.05 1.01 -0.09 0.93 -0.57 0.00 0.00 179.45 180.78 2k77 h GLU 63 N 0.99 0.97 0.23 3.15 4.39 -1.27 -1.21 114.58 121.83 2k77 h GLU 63 Ca 0.19 -0.34 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 63 Cb 0.50 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2k77 h GLU 63 CO 0.02 1.01 -0.11 0.28 -1.16 0.00 0.00 179.01 179.05 2k77 h VAL 64 N 0.87 0.83 0.00 3.13 2.07 -1.10 -3.09 116.25 118.95 2k77 h VAL 64 Ca 0.14 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.34 2k77 h VAL 64 Cb 0.63 1.00 -0.00 0.00 -1.52 0.00 0.00 31.29 31.40 2k77 h VAL 64 CO 0.04 0.07 -0.13 -0.33 0.02 0.00 0.00 177.57 177.24 2k77 h GLU 65 N -0.45 0.00 0.00 1.57 5.08 -1.00 -0.35 114.58 119.43 2k77 h GLU 65 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k77 h GLU 65 Cb 0.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.59 2k77 h GLU 65 CO 0.05 0.13 0.00 0.43 -1.00 0.00 0.00 179.01 178.62 2k77 n SER 66 N -4.10 0.56 -0.07 1.42 7.64 -0.46 -1.19 113.62 117.41 2k77 n SER 66 Ca -0.02 0.66 -0.09 0.00 1.01 0.00 0.00 58.87 60.42 2k77 n SER 66 Cb 0.21 -0.77 -0.08 0.00 -1.01 0.00 0.00 64.21 62.56 2k77 n SER 66 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2k77 n LEU 67 N -2.14 1.76 -0.09 -3.43 4.77 -0.28 -4.80 117.00 112.78 2k77 n LEU 67 Ca 0.02 -0.05 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2k77 n LEU 67 Cb 0.19 -0.20 0.02 0.00 -2.33 0.00 0.00 43.42 41.10 2k77 n LEU 67 CO 0.17 0.58 0.47 2.30 -1.33 0.00 0.00 177.39 179.58 2k77 n ILE 68 N -2.75 0.81 0.28 -0.08 -5.35 -0.38 -4.85 119.36 107.04 2k77 n ILE 68 Ca -0.25 -0.90 0.02 0.00 -0.27 0.00 0.00 62.75 61.35 2k77 n ILE 68 Cb 0.84 0.60 0.14 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.26 -0.28 0.18 3.28 0.00 -0.33 -2.51 105.19 105.26 2k77 n GLY 69 Ca 0.02 -0.03 0.14 0.00 0.00 0.00 0.00 46.02 46.15 2k77 n GLY 69 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2k77 h ARG 70 N 0.00 0.00 -0.37 1.61 2.47 -1.88 -3.50 114.38 112.70 2k77 h ARG 70 Ca 0.00 0.00 0.04 0.00 -1.26 0.00 0.00 59.98 58.76 2k77 h ARG 70 Cb 0.02 0.00 -0.02 0.00 -1.65 0.00 0.00 29.97 28.32 2k77 h ARG 70 CO 0.00 0.00 -0.12 0.41 0.56 0.00 0.00 179.97 180.82 2k77 n GLY 71 N 0.48 -2.35 2.23 0.04 0.00 -1.04 -4.92 105.19 99.63 2k77 n GLY 71 Ca 0.03 -1.43 -0.24 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.49 0.63 -2.92 1.61 6.02 -0.15 -4.93 117.38 115.15 2k77 n GLN 72 Ca -0.01 -3.19 -0.42 0.00 -0.01 0.00 0.00 57.00 53.37 2k77 n GLN 72 Cb 0.07 -1.29 -0.05 0.00 1.02 0.00 0.00 30.24 30.00 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k77 s GLU 73 N -0.95 3.79 0.00 -1.09 2.12 -1.06 -1.11 118.70 120.40 2k77 s GLU 73 Ca 0.35 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.08 2k77 s GLU 73 Cb 0.15 -3.80 0.00 0.00 0.26 0.00 0.00 34.13 30.74 2k77 s GLU 73 CO -0.13 -0.85 0.40 -1.33 -0.54 0.00 0.00 175.26 172.81 2k77 n MET 74 N 6.47 -0.17 -3.80 4.30 2.81 -1.26 -5.00 117.12 120.47 2k77 n MET 74 Ca 0.04 -0.46 -0.24 0.00 -1.81 0.00 0.00 57.70 55.23 2k77 n MET 74 Cb 0.48 -0.81 0.02 0.00 -0.71 0.00 0.00 33.22 32.19 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 -0.06 -1.37 -4.24 7.83 7.64 -1.26 -4.99 113.62 117.17 2k77 n SER 75 Ca 0.00 -0.87 -0.13 0.00 1.01 0.00 0.00 58.87 58.88 2k77 n SER 75 Cb 0.14 -3.74 -0.10 0.00 -1.01 0.00 0.00 64.21 59.50 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k77 s GLN 76 N -6.23 1.20 0.48 1.43 -2.07 -1.26 -5.16 119.66 108.06 2k77 s GLN 76 Ca 0.09 -1.62 -0.23 0.00 -1.82 0.00 0.00 55.36 51.79 2k77 s GLN 76 Cb -0.05 -0.04 -0.07 0.00 -1.09 0.00 0.00 33.01 31.77 2k77 s GLN 76 CO 0.84 -0.27 1.22 0.99 -1.32 0.00 0.00 175.29 176.75 2k77 s THR 77 N -3.89 2.80 0.34 3.63 2.01 -1.26 -4.86 115.64 114.41 2k77 s THR 77 Ca 0.32 0.60 -0.29 0.00 0.31 0.00 0.00 61.69 62.64 2k77 s THR 77 Cb 0.07 -3.31 -0.11 0.00 0.01 0.00 0.00 72.50 69.17 2k77 s THR 77 CO 0.09 -0.00 1.38 -0.63 -0.69 0.00 0.00 174.62 174.76 2k77 s ILE 78 N -1.47 2.49 0.16 1.82 -1.09 -1.26 -4.90 121.20 116.96 2k77 s ILE 78 Ca 0.66 0.48 0.10 0.00 -2.23 0.00 0.00 60.65 59.66 2k77 s ILE 78 Cb -0.32 -3.31 -0.04 0.00 -1.58 0.00 0.00 42.46 37.21 2k77 s ILE 78 CO 0.39 0.11 -0.19 -1.00 -1.23 0.00 0.00 174.94 173.02 2k77 s HIS 79 N -1.04 2.46 -0.05 3.97 3.76 -1.24 -4.98 115.29 118.16 2k77 s HIS 79 Ca 0.51 -0.30 -0.15 0.00 -0.15 0.00 0.00 55.06 54.98 2k77 s HIS 79 Cb -0.42 -1.25 -0.05 0.00 1.11 0.00 0.00 32.58 31.97 2k77 s HIS 79 CO 0.56 0.46 0.38 0.71 -0.85 0.00 0.00 174.74 176.00 2k77 s TYR 80 N -1.48 3.65 0.85 1.40 1.51 -1.26 -0.71 117.35 121.32 2k77 s TYR 80 Ca 0.20 0.89 -0.11 0.00 -1.01 0.00 0.00 57.07 57.05 2k77 s TYR 80 Cb -0.09 -2.31 0.10 0.00 -0.11 0.00 0.00 41.96 39.55 2k77 s TYR 80 CO 0.11 0.52 1.10 0.95 -1.11 0.00 0.00 175.55 177.12 2k77 s THR 81 N -0.60 2.87 0.40 -0.71 -4.23 -0.37 -4.78 115.64 108.22 2k77 s THR 81 Ca 0.22 0.28 0.12 0.00 -1.18 0.00 0.00 61.69 61.14 2k77 s THR 81 Cb -0.16 -2.70 0.33 0.00 1.34 0.00 0.00 72.50 71.32 2k77 s THR 81 CO 0.11 -0.37 1.93 -0.65 -0.54 0.00 0.00 174.62 175.11 2k77 h PRO 82 N -1.44 0.51 -0.37 3.99 0.11 -1.98 0.56 132.00 133.38 2k77 h PRO 82 Ca -0.47 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2k77 h PRO 82 Cb 1.26 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.25 2k77 h PRO 82 CO 0.51 0.34 -0.24 0.00 -0.21 0.00 0.00 178.00 178.40 2k77 h ARG 83 N 0.53 0.81 -0.38 1.05 3.08 -1.94 -0.30 114.38 117.22 2k77 h ARG 83 Ca 0.35 -0.38 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2k77 h ARG 83 Cb 0.64 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.67 2k77 h ARG 83 CO -0.12 1.01 -0.12 0.00 -1.07 0.00 0.00 179.97 179.67 2k77 h ALA 84 N 0.78 0.53 -0.81 0.04 0.00 -1.69 -1.23 119.26 116.87 2k77 h ALA 84 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 84 Cb 0.80 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 18.42 2k77 h ALA 84 CO 0.07 0.41 0.52 -0.22 0.00 0.00 0.00 179.25 180.03 2k77 h LYS 85 N 0.55 1.08 -0.45 0.00 3.64 -0.86 -0.16 116.57 120.37 2k77 h LYS 85 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k77 h LYS 85 Cb 0.65 -0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 2k77 h LYS 85 CO 0.04 0.74 0.26 0.87 -2.27 0.00 0.00 179.45 179.09 2k77 h LYS 86 N 1.10 0.62 -0.76 1.90 1.79 -0.99 -2.17 116.57 118.05 2k77 h LYS 86 Ca 0.29 -0.06 0.03 0.00 -2.18 0.00 0.00 60.65 58.73 2k77 h LYS 86 Cb -0.09 -0.12 -0.05 0.00 -1.58 0.00 0.00 32.23 30.39 2k77 h LYS 86 CO -0.06 0.47 0.48 0.28 -1.08 0.00 0.00 179.45 179.55 2k77 h VAL 87 N 0.59 1.10 -0.52 0.50 2.07 -0.65 0.16 116.25 119.50 2k77 h VAL 87 Ca 0.16 -0.32 0.00 0.00 0.82 0.00 0.00 66.70 67.36 2k77 h VAL 87 Cb 0.03 0.09 -0.03 0.00 -1.52 0.00 0.00 31.29 29.86 2k77 h VAL 87 CO -0.03 0.17 0.33 0.40 0.02 0.00 0.00 177.57 178.46 2k77 h ILE 88 N 0.93 1.14 -0.34 4.57 1.08 -0.82 0.12 117.51 124.20 2k77 h ILE 88 Ca 0.31 -0.29 -0.13 0.00 -0.39 0.00 0.00 64.86 64.35 2k77 h ILE 88 Cb 0.03 0.41 -0.01 0.00 -3.07 0.00 0.00 36.82 34.18 2k77 h ILE 88 CO -0.12 0.14 -0.32 -0.33 -0.69 0.00 0.00 178.15 176.83 2k77 h GLU 89 N 0.70 0.74 -0.38 2.37 5.08 -1.08 -2.18 114.58 119.83 2k77 h GLU 89 Ca 0.19 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2k77 h GLU 89 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 2k77 h GLU 89 CO -0.04 0.96 -0.17 -0.07 -1.00 0.00 0.00 179.01 178.69 2k77 h LEU 90 N 0.62 0.72 -0.69 1.33 3.38 -0.69 -0.84 115.31 119.13 2k77 h LEU 90 Ca 0.07 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 2k77 h LEU 90 Cb 0.85 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 90 CO 0.07 0.90 0.18 0.28 0.09 0.00 0.00 178.44 179.96 2k77 h SER 91 N 0.64 1.04 -0.24 -0.43 0.02 -0.66 -0.06 113.55 113.87 2k77 h SER 91 Ca 0.10 -0.23 -0.08 0.00 -0.84 0.00 0.00 61.79 60.74 2k77 h SER 91 Cb 0.65 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 2k77 h SER 91 CO 0.05 1.00 -0.10 -0.03 -1.14 0.00 0.00 176.83 176.60 2k77 h MET 92 N 1.04 0.62 -0.18 3.45 1.85 -1.21 -1.44 114.93 119.07 2k77 h MET 92 Ca 0.22 -0.19 -0.17 0.00 -0.61 0.00 0.00 59.70 58.95 2k77 h MET 92 Cb 0.35 -0.06 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 2k77 h MET 92 CO -0.00 0.72 -0.58 0.22 -0.40 0.00 0.00 176.91 176.86 2k77 h ASP 93 N 0.57 0.64 -0.41 1.39 3.58 -0.71 -0.37 116.42 121.12 2k77 h ASP 93 Ca 0.10 -0.36 -0.04 0.00 0.42 0.00 0.00 57.03 57.16 2k77 h ASP 93 Cb 0.52 -0.19 -0.02 0.00 1.72 0.00 0.00 39.33 41.37 2k77 h ASP 93 CO 0.03 1.08 0.11 -0.33 -2.88 0.00 0.00 179.24 177.25 2k77 h GLU 94 N 0.43 0.65 -0.56 0.28 4.39 -0.93 -1.37 114.58 117.47 2k77 h GLU 94 Ca 0.00 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 94 Cb 1.14 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 29.68 2k77 h GLU 94 CO 0.11 0.66 0.24 0.00 -1.16 0.00 0.00 179.01 178.86 2k77 h ALA 95 N 0.96 1.37 0.06 3.43 0.00 -1.17 -1.78 119.26 122.12 2k77 h ALA 95 Ca 0.13 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 95 Cb 0.30 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2k77 h ALA 95 CO -0.00 0.48 -0.03 -0.09 0.00 0.00 0.00 179.25 179.61 2k77 h ARG 96 N 0.80 -0.08 -0.41 0.00 2.43 -0.94 -1.57 114.38 114.60 2k77 h ARG 96 Ca 0.19 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.34 2k77 h ARG 96 Cb 0.13 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2k77 h ARG 96 CO -0.02 0.09 0.14 0.87 -1.51 0.00 0.00 179.97 179.54 2k77 h LYS 97 N -0.24 0.59 0.00 0.20 1.57 -1.06 -1.81 116.57 115.82 2k77 h LYS 97 Ca -0.01 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2k77 h LYS 97 Cb 0.21 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.41 2k77 h LYS 97 CO 0.01 0.51 0.00 1.28 -0.57 0.00 0.00 179.45 180.68 2k77 n LEU 98 N -4.36 0.01 -1.89 2.94 4.32 -0.69 -4.96 117.00 112.38 2k77 n LEU 98 Ca 0.03 0.50 -0.16 0.00 -0.02 0.00 0.00 56.01 56.36 2k77 n LEU 98 Cb 0.16 -0.50 -0.00 0.00 -1.62 0.00 0.00 43.42 41.47 2k77 n LEU 98 CO 0.38 -0.00 -0.16 0.61 -1.22 0.00 0.00 177.39 176.99 2k77 n GLY 99 N 1.49 -0.27 0.22 -0.72 0.00 -0.68 -4.93 105.19 100.30 2k77 n GLY 99 Ca 0.07 -0.20 0.15 0.00 0.00 0.00 0.00 46.02 46.04 2k77 n GLY 99 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k77 n HIS 100 N -4.05 0.00 0.00 1.61 8.25 -0.67 -4.94 115.22 115.42 2k77 n HIS 100 Ca -0.17 -0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.29 2k77 n HIS 100 Cb 0.63 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.74 2k77 n HIS 100 CO 0.00 0.00 0.00 0.43 0.64 0.00 0.00 176.34 177.41 2k77 n SER 101 N -0.45 0.00 -3.71 0.41 7.64 -1.26 -4.83 113.62 111.41 2k77 n SER 101 Ca 0.22 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 60.00 2k77 n SER 101 Cb 0.22 -0.42 -0.05 0.00 -1.01 0.00 0.00 64.21 62.96 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 -0.06 -0.07 -0.36 1.43 -0.85 -1.26 -4.47 117.35 111.70 2k77 s TYR 102 Ca 0.00 -0.28 -0.22 0.00 -0.52 0.00 0.00 57.07 56.05 2k77 s TYR 102 Cb 0.00 0.17 0.01 0.00 0.38 0.00 0.00 41.96 42.51 2k77 s TYR 102 CO 0.00 -0.67 0.74 0.08 -1.52 0.00 0.00 175.55 174.17 2k77 s VAL 103 N -3.83 4.79 0.77 -3.49 1.01 0.24 -4.85 120.40 115.03 2k77 s VAL 103 Ca 0.05 0.80 -0.06 0.00 0.00 0.00 0.00 61.98 62.77 2k77 s VAL 103 Cb 0.03 -4.16 0.12 0.00 0.00 0.00 0.00 36.38 32.37 2k77 s VAL 103 CO -0.11 -0.38 1.07 -0.83 0.00 0.00 0.00 175.10 174.85 2k77 s GLY 104 N 1.81 1.75 0.26 4.51 0.00 -1.26 -1.20 107.32 113.20 2k77 s GLY 104 Ca 0.29 -1.37 -0.03 0.00 0.00 0.00 0.00 44.72 43.60 2k77 s GLY 104 CO 0.16 -0.81 1.90 -0.91 0.00 0.00 0.00 173.10 173.44 2k77 h THR 105 N -0.80 1.14 -0.30 0.90 1.35 -1.93 -1.52 112.91 111.75 2k77 h THR 105 Ca -0.41 -0.42 0.06 0.00 -0.55 0.00 0.00 66.41 65.09 2k77 h THR 105 Cb 1.27 -0.20 -0.08 0.00 -1.73 0.00 0.00 68.15 67.41 2k77 h THR 105 CO 0.45 0.22 -0.45 1.05 -0.25 0.00 0.00 175.52 176.55 2k77 h GLU 106 N 1.23 -0.39 -0.13 4.72 9.09 -1.94 -1.90 114.58 125.26 2k77 h GLU 106 Ca 0.41 0.03 -0.06 0.00 0.05 0.00 0.00 59.36 59.79 2k77 h GLU 106 Cb 0.07 0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 27.25 2k77 h GLU 106 CO -0.14 -0.26 -0.20 0.45 0.05 0.00 0.00 179.01 178.90 2k77 h HIS 107 N -0.41 0.24 -0.13 2.06 3.86 -1.77 -1.47 115.15 117.54 2k77 h HIS 107 Ca 0.10 -0.04 0.01 0.00 -1.16 0.00 0.00 60.37 59.29 2k77 h HIS 107 Cb 0.61 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.00 2k77 h HIS 107 CO -0.58 0.42 0.03 0.82 0.86 0.00 0.00 177.93 179.48 2k77 h ILE 108 N 0.21 0.95 -0.56 2.45 2.04 -0.86 -0.97 117.51 120.76 2k77 h ILE 108 Ca 0.04 -0.03 -0.05 0.00 1.00 0.00 0.00 64.86 65.82 2k77 h ILE 108 Cb 0.48 0.86 -0.02 0.00 -0.74 0.00 0.00 36.82 37.40 2k77 h ILE 108 CO 0.03 0.02 0.16 0.25 0.00 0.00 0.00 178.15 178.61 2k77 h LEU 109 N 0.09 0.83 -1.62 1.44 5.85 -0.86 -1.40 115.31 119.64 2k77 h LEU 109 Ca 0.06 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 109 Cb 0.04 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.82 2k77 h LEU 109 CO -0.07 0.83 0.38 -0.07 -0.34 0.00 0.00 178.44 179.17 2k77 h LEU 110 N 0.80 0.40 -0.29 2.25 3.38 -1.10 -1.30 115.31 119.44 2k77 h LEU 110 Ca 0.18 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.10 2k77 h LEU 110 Cb 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 110 CO -0.00 0.25 -0.03 1.23 0.09 0.00 0.00 178.44 179.98 2k77 h GLY 111 N 0.45 0.57 0.95 0.83 0.00 -0.59 -2.34 103.07 102.94 2k77 h GLY 111 Ca 0.26 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 47.16 2k77 h GLY 111 CO -0.07 0.40 0.25 1.41 0.00 0.00 0.00 176.54 178.53 2k77 h LEU 112 N 0.30 0.42 -0.62 3.11 3.38 -0.20 -1.12 115.31 120.60 2k77 h LEU 112 Ca 0.08 -0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 112 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2k77 h LEU 112 CO 0.02 0.31 -0.45 0.16 0.09 0.00 0.00 178.44 178.57 2k77 h ILE 113 N 0.51 1.31 0.00 1.22 3.07 -1.42 -3.26 117.51 118.94 2k77 h ILE 113 Ca 0.15 -1.64 -0.10 0.00 1.55 0.00 0.00 64.86 64.82 2k77 h ILE 113 Cb -0.03 1.61 -0.01 0.00 -0.27 0.00 0.00 36.82 38.12 2k77 h ILE 113 CO -0.05 0.51 -0.50 -0.09 -1.05 0.00 0.00 178.15 176.97 2k77 h ARG 114 N 0.46 0.00 -0.76 0.16 2.43 -1.11 -2.85 114.38 112.72 2k77 h ARG 114 Ca 0.03 0.00 -0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2k77 h ARG 114 Cb 0.96 0.00 -0.04 0.00 -0.42 0.00 0.00 29.97 30.48 2k77 h ARG 114 CO 0.09 0.50 0.35 1.49 -1.51 0.00 0.00 179.97 180.89 2k77 h GLU 115 N 0.00 1.10 0.00 0.20 4.57 -1.25 -3.46 114.58 115.73 2k77 h GLU 115 Ca -0.00 -0.16 0.00 0.00 -1.18 0.00 0.00 59.36 58.01 2k77 h GLU 115 Cb 0.94 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2k77 h GLU 115 CO 0.06 0.85 0.00 0.41 -1.18 0.00 0.00 179.01 179.16 2k77 n GLY 116 N -1.03 1.17 0.02 1.92 0.00 -1.08 -4.46 105.19 101.73 2k77 n GLY 116 Ca 0.07 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.16 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N -0.14 0.67 -1.42 1.61 2.13 -1.26 -4.65 120.64 117.57 2k77 n GLU 117 Ca 0.00 -0.14 -0.33 0.00 0.66 0.00 0.00 57.16 57.35 2k77 n GLU 117 Cb 0.00 -1.44 0.09 0.00 0.27 0.00 0.00 31.44 30.36 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 -4.29 2.12 0.39 8.31 0.00 -1.26 -4.85 107.32 107.73 2k77 s GLY 118 Ca -0.07 0.66 0.13 0.00 0.00 0.00 0.00 44.72 45.44 2k77 s GLY 118 CO 0.76 1.04 1.87 -2.08 0.00 0.00 0.00 173.10 174.69 2k77 h VAL 119 N -0.49 0.77 -0.65 1.40 2.07 -1.94 -1.57 116.25 115.84 2k77 h VAL 119 Ca -0.46 -0.18 0.07 0.00 0.82 0.00 0.00 66.70 66.94 2k77 h VAL 119 Cb 1.27 0.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.16 2k77 h VAL 119 CO 0.50 0.10 0.33 0.00 0.02 0.00 0.00 177.57 178.52 2k77 h ALA 120 N 1.62 0.87 -0.31 1.67 0.00 -1.92 -0.55 119.26 120.64 2k77 h ALA 120 Ca 0.44 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 55.28 2k77 h ALA 120 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k77 h ALA 120 CO -0.19 -0.02 -0.26 0.00 0.00 0.00 0.00 179.25 178.78 2k77 h ALA 121 N 1.37 0.95 -0.34 0.00 0.00 -1.48 -2.42 119.26 117.34 2k77 h ALA 121 Ca 0.30 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 121 Cb 0.25 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 2k77 h ALA 121 CO -0.21 0.61 0.13 0.00 0.00 0.00 0.00 179.25 179.78 2k77 h ARG 122 N 0.55 0.51 -0.11 0.00 3.08 -1.23 -2.11 114.38 115.07 2k77 h ARG 122 Ca 0.07 -0.09 0.02 0.00 0.07 0.00 0.00 59.98 60.05 2k77 h ARG 122 Cb 0.74 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 2k77 h ARG 122 CO 0.06 0.50 -0.02 0.28 -1.07 0.00 0.00 179.97 179.72 2k77 h VAL 123 N 0.40 0.89 -0.67 2.04 2.07 -1.05 -0.35 116.25 119.59 2k77 h VAL 123 Ca 0.11 -0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.64 2k77 h VAL 123 Cb 0.19 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 30.81 2k77 h VAL 123 CO -0.01 0.00 0.44 -0.07 0.02 0.00 0.00 177.57 177.95 2k77 h LEU 124 N 0.00 0.77 -1.01 2.57 3.38 -1.37 -1.61 115.31 118.03 2k77 h LEU 124 Ca 0.05 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 124 Cb 0.08 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 2k77 h LEU 124 CO -0.11 0.56 -0.27 0.78 0.09 0.00 0.00 178.44 179.48 2k77 h ASN 125 N 0.90 0.38 -0.43 -0.43 2.35 -1.09 0.44 115.58 117.71 2k77 h ASN 125 Ca 0.24 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.76 2k77 h ASN 125 Cb -0.10 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.15 2k77 h ASN 125 CO -0.05 0.65 -0.13 0.78 -1.65 0.00 0.00 177.43 177.03 2k77 h ASN 126 N 0.33 0.90 0.66 5.81 2.35 -0.66 -3.22 115.58 121.75 2k77 h ASN 126 Ca 0.05 -0.29 -0.20 0.00 -0.55 0.00 0.00 56.30 55.30 2k77 h ASN 126 Cb 0.66 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 2k77 h ASN 126 CO 0.05 1.03 -0.92 -0.07 -1.65 0.00 0.00 177.43 175.87 2k77 h LEU 127 N 0.80 0.22 0.00 1.61 3.38 -1.03 -3.48 115.31 116.80 2k77 h LEU 127 Ca 0.13 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 127 Cb 0.66 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k77 h LEU 127 CO 0.05 1.02 0.00 0.61 0.09 0.00 0.00 178.44 180.21 2k77 n GLY 128 N 0.98 0.21 3.81 0.83 0.00 -0.17 -5.10 105.19 105.76 2k77 n GLY 128 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 2k77 n GLY 128 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k77 s VAL 129 N -1.17 4.41 0.20 1.61 1.01 -0.03 -4.94 120.40 121.49 2k77 s VAL 129 Ca 0.00 1.47 0.01 0.00 0.00 0.00 0.00 61.98 63.46 2k77 s VAL 129 Cb 0.00 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.57 2k77 s VAL 129 CO 0.00 -0.08 0.06 -0.55 0.00 0.00 0.00 175.10 174.53 2k77 s SER 130 N -1.95 0.98 0.21 3.32 0.15 -1.26 -2.90 113.70 112.25 2k77 s SER 130 Ca 0.54 -1.28 -0.12 0.00 0.70 0.00 0.00 55.95 55.79 2k77 s SER 130 Cb -0.13 0.19 0.27 0.00 -1.71 0.00 0.00 66.02 64.63 2k77 s SER 130 CO 0.18 -0.68 1.65 0.25 1.20 0.00 0.00 173.24 175.85 2k77 h LEU 131 N 2.58 -0.35 -0.47 3.45 6.46 -1.98 -1.12 115.31 123.88 2k77 h LEU 131 Ca -0.37 0.16 -0.16 0.00 -0.12 0.00 0.00 57.88 57.39 2k77 h LEU 131 Cb 1.23 0.29 -0.02 0.00 -0.73 0.00 0.00 40.66 41.43 2k77 h LEU 131 CO 0.60 -0.14 -0.77 0.78 -0.62 0.00 0.00 178.44 178.30 2k77 h ASN 132 N 0.08 0.02 -0.06 1.25 2.35 -1.98 -1.02 115.58 116.22 2k77 h ASN 132 Ca 0.31 -0.02 -0.02 0.00 -0.55 0.00 0.00 56.30 56.02 2k77 h ASN 132 Cb 0.49 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.85 2k77 h ASN 132 CO -0.55 0.78 -0.04 0.11 -1.65 0.00 0.00 177.43 176.08 2k77 h LYS 133 N 0.01 0.14 -0.48 0.81 1.57 -1.74 -1.74 116.57 115.14 2k77 h LYS 133 Ca -0.01 -0.07 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 2k77 h LYS 133 Cb 1.36 -0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.65 2k77 h LYS 133 CO 0.10 0.55 0.04 0.00 -0.57 0.00 0.00 179.45 179.56 2k77 h ALA 134 N 0.59 0.65 0.02 3.86 0.00 -1.29 -2.38 119.26 120.71 2k77 h ALA 134 Ca 0.01 -0.26 0.03 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 134 Cb 0.51 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 2k77 h ALA 134 CO 0.01 0.42 -0.26 0.00 0.00 0.00 0.00 179.25 179.42 2k77 h ARG 135 N 0.69 -0.40 -0.69 0.00 3.08 -1.21 -1.40 114.38 114.45 2k77 h ARG 135 Ca 0.14 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.19 2k77 h ARG 135 Cb 0.46 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.57 2k77 h ARG 135 CO 0.02 -0.27 0.31 1.96 -1.07 0.00 0.00 179.97 180.92 2k77 h GLN 136 N -0.41 1.01 -0.35 0.04 4.20 -1.22 0.50 115.11 118.88 2k77 h GLN 136 Ca 0.06 -0.16 -0.16 0.00 0.06 0.00 0.00 58.65 58.45 2k77 h GLN 136 Cb 0.49 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.09 2k77 h GLN 136 CO -0.21 0.82 -0.39 1.96 -0.67 0.00 0.00 178.83 180.33 2k77 h GLN 137 N 0.97 0.88 -0.19 1.46 1.08 -1.37 -2.18 115.11 115.77 2k77 h GLN 137 Ca 0.23 -0.48 -0.07 0.00 -1.45 0.00 0.00 58.65 56.88 2k77 h GLN 137 Cb 0.16 0.03 -0.00 0.00 -0.05 0.00 0.00 27.48 27.61 2k77 h GLN 137 CO -0.03 1.13 -0.15 0.28 -0.95 0.00 0.00 178.83 179.12 2k77 h VAL 138 N 0.68 1.32 0.00 -0.54 2.07 -1.08 -0.19 116.25 118.52 2k77 h VAL 138 Ca 0.05 -1.27 -0.03 0.00 0.82 0.00 0.00 66.70 66.27 2k77 h VAL 138 Cb 0.99 1.73 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 2k77 h VAL 138 CO 0.10 0.38 -0.16 -0.07 0.02 0.00 0.00 177.57 177.83 2k77 h LEU 139 N 0.12 0.00 0.01 2.57 3.38 -0.95 -1.89 115.31 118.55 2k77 h LEU 139 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 2k77 h LEU 139 CO 0.04 0.16 -0.01 1.56 0.09 0.00 0.00 178.44 180.29 2k77 h GLN 140 N 0.00 -0.02 0.00 1.13 4.20 -1.34 -3.40 115.11 115.68 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 0.44 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.23 2k77 h GLN 140 CO 0.02 0.38 0.00 1.25 -0.67 0.00 0.00 178.83 179.82 2k77 h LEU 141 N -1.00 0.00 -0.02 1.46 5.85 -0.81 0.13 115.31 120.92 2k77 h LEU 141 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 141 Cb 0.41 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2k77 h LEU 141 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -2.99 0.02 0.00 2.25 -0.00 -0.73 -4.69 117.00 110.86 2k77 n LEU 142 Ca -0.01 0.51 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2k77 n LEU 142 Cb 0.22 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.13 2k77 n LEU 142 CO 0.24 -0.36 0.00 0.61 -0.00 0.00 0.00 177.39 177.88 2k77 n GLY 143 N -0.59 -0.16 0.57 1.47 0.00 -1.02 -5.04 105.19 100.42 2k77 n GLY 143 Ca 0.02 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.12 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 2.16 0.00 1.61 7.64 0.29 -5.12 113.62 120.19 2k77 n SER 144 Ca 0.00 -1.58 0.14 0.00 1.01 0.00 0.00 58.87 58.44 2k77 n SER 144 Cb 0.00 0.10 0.84 0.00 -1.01 0.00 0.00 64.21 64.14 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83