#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 0.72 -0.06 2.12 0.00 -1.26 -5.08 119.30 115.74 2k77 s MET 2 Ca 0.00 -0.25 0.08 0.00 0.00 0.00 0.00 55.69 55.52 2k77 s MET 2 Cb 0.00 0.32 -0.24 0.00 0.00 0.00 0.00 34.83 34.91 2k77 s MET 2 CO 0.00 -0.21 0.59 1.97 0.00 0.00 0.00 175.02 177.37 2k77 n PHE 3 N 1.09 1.06 -3.34 3.16 1.16 -1.26 -5.04 117.46 114.29 2k77 n PHE 3 Ca -0.21 0.34 -0.16 0.00 -1.87 0.00 0.00 57.45 55.55 2k77 n PHE 3 Cb 0.57 -1.18 0.08 0.00 -1.61 0.00 0.00 39.48 37.34 2k77 n PHE 3 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2k77 n GLY 4 N 1.66 -0.40 2.93 4.97 0.00 -1.26 -5.04 105.19 108.05 2k77 n GLY 4 Ca -0.20 0.12 -0.12 0.00 0.00 0.00 0.00 46.02 45.82 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 -5.18 0.21 0.08 1.61 1.81 -1.26 -5.11 118.95 111.10 2k77 s ARG 5 Ca 0.05 -0.27 0.09 0.00 -1.72 0.00 0.00 55.73 53.88 2k77 s ARG 5 Cb -0.01 -0.07 -0.03 0.00 -0.45 0.00 0.00 34.95 34.39 2k77 s ARG 5 CO 0.69 0.01 -0.23 -0.06 -0.68 0.00 0.00 175.30 175.04 2k77 s PHE 6 N -0.54 1.98 0.97 -0.53 0.40 -1.26 -0.71 117.98 118.29 2k77 s PHE 6 Ca -0.05 -0.39 -0.12 0.00 -0.60 0.00 0.00 56.93 55.77 2k77 s PHE 6 Cb -0.04 -1.13 0.17 0.00 0.51 0.00 0.00 43.02 42.53 2k77 s PHE 6 CO -0.00 0.17 1.09 0.95 0.70 0.00 0.00 175.22 178.13 2k77 s THR 7 N -0.95 2.37 0.38 0.64 -4.23 -0.34 -4.70 115.64 108.81 2k77 s THR 7 Ca 0.09 0.12 0.06 0.00 -1.18 0.00 0.00 61.69 60.78 2k77 s THR 7 Cb -0.10 -2.41 0.22 0.00 1.34 0.00 0.00 72.50 71.55 2k77 s THR 7 CO 0.03 -0.16 1.98 1.05 -0.54 0.00 0.00 174.62 176.99 2k77 h GLU 8 N -1.90 0.50 -0.13 3.99 4.11 -1.99 0.22 114.58 119.38 2k77 h GLU 8 Ca -0.52 -0.06 -0.19 0.00 0.07 0.00 0.00 59.36 58.66 2k77 h GLU 8 Cb 1.29 -0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2k77 h GLU 8 CO 0.51 0.42 -0.71 0.00 0.07 0.00 0.00 179.01 179.31 2k77 h ARG 9 N 0.50 0.56 -0.36 1.06 3.08 -1.96 -2.31 114.38 114.95 2k77 h ARG 9 Ca 0.12 -0.44 -0.11 0.00 0.07 0.00 0.00 59.98 59.62 2k77 h ARG 9 Cb 0.12 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.24 2k77 h ARG 9 CO -0.01 1.06 -0.22 0.00 -1.07 0.00 0.00 179.97 179.73 2k77 h ALA 10 N 0.82 0.51 -0.92 0.04 0.00 -1.70 -1.46 119.26 116.55 2k77 h ALA 10 Ca -0.03 -0.38 0.05 0.00 0.00 0.00 0.00 54.91 54.55 2k77 h ALA 10 Cb 1.29 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2k77 h ALA 10 CO 0.13 0.48 0.60 1.96 0.00 0.00 0.00 179.25 182.42 2k77 h GLN 11 N 0.57 1.08 -0.59 0.00 4.20 -1.04 -1.95 115.11 117.38 2k77 h GLN 11 Ca 0.07 -0.06 -0.03 0.00 0.06 0.00 0.00 58.65 58.69 2k77 h GLN 11 Cb 0.78 -0.24 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 2k77 h GLN 11 CO 0.06 0.71 0.24 -0.22 -0.67 0.00 0.00 178.83 178.96 2k77 h LYS 12 N 1.11 0.88 -0.49 1.46 3.64 -1.00 -0.27 116.57 121.91 2k77 h LYS 12 Ca 0.38 -0.16 -0.06 0.00 -1.27 0.00 0.00 60.65 59.54 2k77 h LYS 12 Cb 0.09 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2k77 h LYS 12 CO -0.13 0.75 0.06 -0.39 -2.27 0.00 0.00 179.45 177.47 2k77 h VAL 13 N 0.82 1.23 -0.06 2.00 -1.51 -0.77 -0.35 116.25 117.60 2k77 h VAL 13 Ca 0.20 -0.90 -0.14 0.00 -1.23 0.00 0.00 66.70 64.63 2k77 h VAL 13 Cb 0.19 0.80 -0.01 0.00 -2.13 0.00 0.00 31.29 30.14 2k77 h VAL 13 CO -0.02 0.32 -0.60 -0.07 -1.23 0.00 0.00 177.57 175.97 2k77 h LEU 14 N 0.74 0.25 -0.49 4.19 3.38 -1.16 -0.13 115.31 122.08 2k77 h LEU 14 Ca 0.15 -0.14 -0.14 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 14 Cb 0.37 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 2k77 h LEU 14 CO 0.01 0.79 -0.32 0.00 0.09 0.00 0.00 178.44 179.01 2k77 h ALA 15 N 1.21 0.68 -0.34 1.53 0.00 -0.74 -2.53 119.26 119.07 2k77 h ALA 15 Ca -0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 54.91 54.37 2k77 h ALA 15 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2k77 h ALA 15 CO 0.09 0.67 -0.22 -0.07 0.00 0.00 0.00 179.25 179.72 2k77 h LEU 16 N 0.75 0.65 -1.35 0.00 3.38 -0.94 -2.40 115.31 115.40 2k77 h LEU 16 Ca 0.08 -0.22 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2k77 h LEU 16 Cb 0.89 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.43 2k77 h LEU 16 CO 0.08 0.86 0.41 0.00 0.09 0.00 0.00 178.44 179.88 2k77 h ALA 17 N 1.19 1.52 -0.36 1.53 0.00 -0.94 -0.89 119.26 121.32 2k77 h ALA 17 Ca 0.08 -0.05 -0.05 0.00 0.00 0.00 0.00 54.91 54.88 2k77 h ALA 17 Cb 0.68 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 2k77 h ALA 17 CO 0.05 0.43 0.01 0.37 0.00 0.00 0.00 179.25 180.11 2k77 h GLN 18 N 0.86 0.63 -0.61 0.00 4.15 -1.13 -0.89 115.11 118.12 2k77 h GLN 18 Ca 0.23 -0.19 -0.08 0.00 0.77 0.00 0.00 58.65 59.38 2k77 h GLN 18 Cb -0.08 -0.06 -0.02 0.00 0.21 0.00 0.00 27.48 27.53 2k77 h GLN 18 CO -0.05 0.73 0.08 0.93 -1.93 0.00 0.00 178.83 178.59 2k77 h GLU 19 N 0.44 1.00 -0.45 1.69 5.08 -1.01 -1.19 114.58 120.15 2k77 h GLU 19 Ca 0.10 -0.26 -0.13 0.00 -1.00 0.00 0.00 59.36 58.07 2k77 h GLU 19 Cb 0.44 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2k77 h GLU 19 CO 0.02 0.93 -0.25 0.93 -1.00 0.00 0.00 179.01 179.64 2k77 h GLU 20 N 0.94 0.94 -0.49 2.33 4.39 -1.16 -0.35 114.58 121.17 2k77 h GLU 20 Ca 0.19 -0.41 -0.04 0.00 0.34 0.00 0.00 59.36 59.43 2k77 h GLU 20 Cb 0.43 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.03 2k77 h GLU 20 CO 0.01 1.07 0.14 0.00 -1.16 0.00 0.00 179.01 179.07 2k77 h ALA 21 N 0.91 1.32 -0.19 3.43 0.00 -0.92 -0.39 119.26 123.42 2k77 h ALA 21 Ca 0.10 -0.18 -0.15 0.00 0.00 0.00 0.00 54.91 54.68 2k77 h ALA 21 Cb 0.81 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.40 2k77 h ALA 21 CO 0.07 0.49 -0.47 -0.07 0.00 0.00 0.00 179.25 179.27 2k77 h LEU 22 N 0.72 0.74 -0.40 0.00 3.38 -1.13 -0.26 115.31 118.36 2k77 h LEU 22 Ca 0.16 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.56 2k77 h LEU 22 Cb 0.24 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 2k77 h LEU 22 CO -0.01 1.17 0.22 -0.09 0.09 0.00 0.00 178.44 179.83 2k77 h ARG 23 N 0.33 0.56 0.00 1.13 2.43 -0.78 -2.97 114.38 115.08 2k77 h ARG 23 Ca -0.00 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.10 2k77 h ARG 23 Cb 1.08 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.52 2k77 h ARG 23 CO 0.10 0.46 0.00 1.28 -1.51 0.00 0.00 179.97 180.30 2k77 n LEU 24 N -4.73 0.00 -2.35 3.80 4.77 -0.18 -4.92 117.00 113.39 2k77 n LEU 24 Ca 0.00 0.10 -0.14 0.00 -0.03 0.00 0.00 56.01 55.95 2k77 n LEU 24 Cb 0.08 -0.10 0.05 0.00 -2.33 0.00 0.00 43.42 41.12 2k77 n LEU 24 CO 0.36 -0.00 0.13 0.61 -1.33 0.00 0.00 177.39 177.16 2k77 n GLY 25 N 1.08 0.05 0.10 -0.72 0.00 -1.12 -4.38 105.19 100.19 2k77 n GLY 25 Ca 0.20 -0.13 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 2k77 n GLY 25 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2k77 n HIS 26 N -3.80 0.00 -0.90 1.61 -0.00 -0.14 -0.99 115.22 110.99 2k77 n HIS 26 Ca -0.02 0.00 -0.05 0.00 -0.00 0.00 0.00 57.72 57.65 2k77 n HIS 26 Cb 0.55 -0.94 -0.02 0.00 -0.00 0.00 0.00 29.99 29.58 2k77 n HIS 26 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 2k77 n ASN 27 N -2.75 -3.88 -3.77 0.41 4.13 -1.01 -4.48 115.26 103.90 2k77 n ASN 27 Ca -0.32 0.11 -0.13 0.00 1.68 0.00 0.00 54.58 55.92 2k77 n ASN 27 Cb 1.10 -2.79 -0.09 0.00 -1.54 0.00 0.00 39.78 36.46 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 -1.60 -0.20 -0.29 6.41 6.03 -1.26 -3.55 114.94 120.47 2k77 s ASN 28 Ca 0.00 0.20 -0.21 0.00 -1.03 0.00 0.00 52.86 51.83 2k77 s ASN 28 Cb 0.00 0.39 -0.01 0.00 -3.03 0.00 0.00 41.25 38.60 2k77 s ASN 28 CO 0.00 -0.35 0.64 -0.63 -2.03 0.00 0.00 177.10 174.74 2k77 s ILE 29 N -0.92 4.94 0.56 0.54 1.01 0.11 -4.79 121.20 122.65 2k77 s ILE 29 Ca -0.10 0.97 0.09 0.00 0.00 0.00 0.00 60.65 61.61 2k77 s ILE 29 Cb -0.05 -3.99 0.07 0.00 0.01 0.00 0.00 42.46 38.51 2k77 s ILE 29 CO 0.03 -0.10 0.71 -0.83 0.00 0.00 0.00 174.94 174.76 2k77 s GLY 30 N 1.58 1.84 0.25 6.18 0.00 -1.26 -1.48 107.32 114.44 2k77 s GLY 30 Ca 0.26 -1.99 -0.04 0.00 0.00 0.00 0.00 44.72 42.96 2k77 s GLY 30 CO 0.11 -1.71 1.84 -0.91 0.00 0.00 0.00 173.10 172.43 2k77 h THR 31 N 0.31 0.98 -0.62 0.90 1.35 -1.93 -1.83 112.91 112.06 2k77 h THR 31 Ca -0.32 -0.32 0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2k77 h THR 31 Cb 1.29 -0.03 -0.11 0.00 -1.73 0.00 0.00 68.15 67.56 2k77 h THR 31 CO 0.44 0.17 -0.08 1.05 -0.25 0.00 0.00 175.52 176.85 2k77 h GLU 32 N 0.93 0.05 -0.08 4.72 9.09 -1.94 -0.56 114.58 126.78 2k77 h GLU 32 Ca 0.41 -0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.67 2k77 h GLU 32 Cb 0.29 -0.01 -0.01 0.00 -1.65 0.00 0.00 28.75 27.37 2k77 h GLU 32 CO -0.21 0.03 -0.59 0.45 0.05 0.00 0.00 179.01 178.74 2k77 h HIS 33 N 0.05 0.35 -0.37 2.06 3.86 -1.70 -0.57 115.15 118.82 2k77 h HIS 33 Ca 0.31 -0.13 -0.09 0.00 -1.16 0.00 0.00 60.37 59.30 2k77 h HIS 33 Cb 0.50 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 28.90 2k77 h HIS 33 CO -0.44 0.80 -0.13 0.82 0.86 0.00 0.00 177.93 179.84 2k77 h ILE 34 N 0.20 1.28 -0.67 2.45 2.04 -0.99 0.15 117.51 121.97 2k77 h ILE 34 Ca -0.00 -1.23 -0.07 0.00 1.00 0.00 0.00 64.86 64.56 2k77 h ILE 34 Cb 1.10 1.31 -0.03 0.00 -0.74 0.00 0.00 36.82 38.46 2k77 h ILE 34 CO 0.09 0.40 0.17 0.25 0.00 0.00 0.00 178.15 179.06 2k77 h LEU 35 N 0.53 1.02 -0.67 1.44 5.85 -1.00 -1.42 115.31 121.06 2k77 h LEU 35 Ca 0.09 -0.23 -0.13 0.00 0.84 0.00 0.00 57.88 58.45 2k77 h LEU 35 Cb 0.65 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k77 h LEU 35 CO 0.04 0.99 -0.34 0.25 -0.34 0.00 0.00 178.44 179.04 2k77 h LEU 36 N 1.01 0.68 -1.05 2.25 5.85 -1.00 -2.62 115.31 120.41 2k77 h LEU 36 Ca 0.21 -0.28 -0.05 0.00 0.84 0.00 0.00 57.88 58.60 2k77 h LEU 36 Cb 0.37 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.18 2k77 h LEU 36 CO 0.00 0.96 0.14 1.23 -0.34 0.00 0.00 178.44 180.44 2k77 h GLY 37 N 1.00 0.88 0.81 3.75 0.00 -0.56 -1.49 103.07 107.46 2k77 h GLY 37 Ca 0.06 -0.50 0.02 0.00 0.00 0.00 0.00 47.33 46.91 2k77 h GLY 37 CO 0.07 0.47 -0.05 1.41 0.00 0.00 0.00 176.54 178.44 2k77 h LEU 38 N 0.79 -0.15 -1.00 3.11 3.38 -1.00 -1.69 115.31 118.75 2k77 h LEU 38 Ca 0.18 0.03 -0.04 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 38 Cb 0.27 0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.09 2k77 h LEU 38 CO -0.00 -0.07 -0.19 -0.37 0.09 0.00 0.00 178.44 177.89 2k77 h VAL 39 N -0.07 0.45 -0.09 1.22 -1.51 -1.32 -1.07 116.25 113.86 2k77 h VAL 39 Ca 0.04 -1.10 -0.10 0.00 -1.23 0.00 0.00 66.70 64.31 2k77 h VAL 39 Cb 0.12 1.79 -0.01 0.00 -2.13 0.00 0.00 31.29 31.06 2k77 h VAL 39 CO -0.09 0.19 -0.41 0.03 -1.23 0.00 0.00 177.57 176.06 2k77 h ARG 40 N 0.00 0.21 0.08 5.19 2.47 -1.09 -3.13 114.38 118.11 2k77 h ARG 40 Ca -0.00 -0.10 -0.00 0.00 -1.26 0.00 0.00 59.98 58.62 2k77 h ARG 40 Cb 0.78 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.09 2k77 h ARG 40 CO 0.03 0.59 -0.04 1.49 0.56 0.00 0.00 179.97 182.60 2k77 h GLU 41 N 0.18 -0.11 0.00 0.04 4.57 -0.90 -3.47 114.58 114.89 2k77 h GLU 41 Ca 0.02 0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.20 2k77 h GLU 41 Cb 0.81 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.42 2k77 h GLU 41 CO 0.06 0.35 0.00 0.41 -1.18 0.00 0.00 179.01 178.65 2k77 n GLY 42 N 0.23 1.50 0.02 1.92 0.00 -0.44 -4.56 105.19 103.86 2k77 n GLY 42 Ca -0.08 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.51 0.66 -0.94 1.61 2.13 -1.26 -4.04 120.64 118.28 2k77 n GLU 43 Ca 0.00 -0.15 -0.31 0.00 0.66 0.00 0.00 57.16 57.36 2k77 n GLU 43 Cb 0.00 -1.45 0.14 0.00 0.27 0.00 0.00 31.44 30.40 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 44 N -4.31 1.76 0.20 8.31 0.00 -1.26 -4.68 107.32 107.33 2k77 s GLY 44 Ca -0.07 0.53 -0.10 0.00 0.00 0.00 0.00 44.72 45.08 2k77 s GLY 44 CO 0.77 0.93 1.77 -2.22 0.00 0.00 0.00 173.10 174.35 2k77 h ILE 45 N -1.49 0.87 -0.50 0.90 1.08 -1.94 -0.05 117.51 116.38 2k77 h ILE 45 Ca -0.44 -0.17 -0.06 0.00 -0.39 0.00 0.00 64.86 63.80 2k77 h ILE 45 Cb 1.26 0.32 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 2k77 h ILE 45 CO 0.45 0.09 0.08 0.00 -0.69 0.00 0.00 178.15 178.08 2k77 h ALA 46 N 1.36 0.66 -0.47 1.87 0.00 -1.90 0.14 119.26 120.92 2k77 h ALA 46 Ca 0.28 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 46 Cb 0.27 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 2k77 h ALA 46 CO -0.23 0.39 -0.10 0.00 0.00 0.00 0.00 179.25 179.31 2k77 h ALA 47 N 0.97 0.95 -0.21 0.00 0.00 -1.64 -0.44 119.26 118.89 2k77 h ALA 47 Ca 0.15 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 2k77 h ALA 47 Cb 0.39 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k77 h ALA 47 CO 0.01 0.62 -0.34 -0.22 0.00 0.00 0.00 179.25 179.32 2k77 h LYS 48 N 0.76 0.44 -0.53 0.00 1.63 -0.94 -1.80 116.57 116.13 2k77 h LYS 48 Ca 0.13 -0.19 -0.08 0.00 -0.85 0.00 0.00 60.65 59.66 2k77 h LYS 48 Cb 0.60 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.19 2k77 h LYS 48 CO 0.04 0.72 0.03 0.00 -3.45 0.00 0.00 179.45 176.80 2k77 h ALA 49 N 1.27 0.72 -0.34 5.00 0.00 -0.56 0.69 119.26 126.04 2k77 h ALA 49 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 49 Cb 0.77 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 49 CO 0.06 0.51 0.21 -0.07 0.00 0.00 0.00 179.25 179.95 2k77 h LEU 50 N 0.80 0.34 -0.97 0.00 3.38 -0.95 -1.72 115.31 116.20 2k77 h LEU 50 Ca 0.16 -0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 50 Cb 0.48 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 2k77 h LEU 50 CO 0.02 0.25 -0.19 1.56 0.09 0.00 0.00 178.44 180.16 2k77 h GLN 51 N 0.42 0.52 -0.18 1.13 4.20 -1.21 -2.21 115.11 117.79 2k77 h GLN 51 Ca 0.13 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2k77 h GLN 51 Cb -0.02 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2k77 h GLN 51 CO -0.05 0.69 -0.19 0.00 -0.67 0.00 0.00 178.83 178.61 2k77 h ALA 52 N 1.32 1.34 0.00 3.87 0.00 -0.63 -1.63 119.26 123.53 2k77 h ALA 52 Ca 0.08 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 52 Cb 0.60 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 52 CO 0.04 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2k77 n LEU 53 N -4.20 0.00 0.00 0.00 4.77 -0.66 -4.88 117.00 112.03 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 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.31 0.74 1.92 -0.72 0.00 -0.61 -4.98 105.19 101.85 2k77 n GLY 54 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.89 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 -3.62 0.99 4.77 -0.86 -4.99 117.00 113.29 2k77 n LEU 55 Ca 0.00 -0.83 -0.05 0.00 -0.03 0.00 0.00 56.01 55.10 2k77 n LEU 55 Cb 0.00 -0.44 -0.02 0.00 -2.33 0.00 0.00 43.42 40.63 2k77 n LEU 55 CO 0.00 -0.90 0.77 -0.83 -1.33 0.00 0.00 177.39 175.10 2k77 s GLY 56 N -4.21 -0.35 0.20 -0.72 0.00 -1.26 -4.34 107.32 96.63 2k77 s GLY 56 Ca 0.36 0.69 -0.11 0.00 0.00 0.00 0.00 44.72 45.66 2k77 s GLY 56 CO 0.25 0.20 1.85 1.48 0.00 0.00 0.00 173.10 176.87 2k77 h SER 57 N 2.00 0.85 -0.40 1.64 4.64 -1.98 -1.80 113.55 118.50 2k77 h SER 57 Ca -0.23 -0.06 -0.09 0.00 -0.47 0.00 0.00 61.79 60.95 2k77 h SER 57 Cb 1.23 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 2k77 h SER 57 CO 0.28 0.66 -0.06 1.05 -0.87 0.00 0.00 176.83 177.89 2k77 h GLU 58 N 0.98 0.82 -0.17 4.77 9.09 -1.97 -0.17 114.58 127.92 2k77 h GLU 58 Ca 0.26 -0.25 -0.04 0.00 0.05 0.00 0.00 59.36 59.37 2k77 h GLU 58 Cb -0.05 -0.08 -0.01 0.00 -1.65 0.00 0.00 28.75 26.97 2k77 h GLU 58 CO -0.05 0.86 -0.05 0.87 0.05 0.00 0.00 179.01 180.70 2k77 h LYS 59 N 0.76 0.34 -0.23 1.06 1.57 -1.88 -0.86 116.57 117.32 2k77 h LYS 59 Ca 0.14 -0.13 -0.11 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 59 Cb 0.54 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.83 2k77 h LYS 59 CO 0.03 0.61 -0.30 0.82 -0.57 0.00 0.00 179.45 180.05 2k77 h ILE 60 N 0.04 1.32 -0.86 1.86 2.04 -1.33 -2.45 117.51 118.12 2k77 h ILE 60 Ca 0.04 -1.49 -0.02 0.00 1.00 0.00 0.00 64.86 64.40 2k77 h ILE 60 Cb 0.49 1.73 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2k77 h ILE 60 CO 0.02 0.46 0.46 -0.61 0.00 0.00 0.00 178.15 178.49 2k77 h GLN 61 N 0.31 1.20 -0.13 2.37 4.15 -1.04 -0.16 115.11 121.81 2k77 h GLN 61 Ca 0.03 -0.14 0.00 0.00 0.77 0.00 0.00 58.65 59.31 2k77 h GLN 61 Cb 0.87 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 28.32 2k77 h GLN 61 CO 0.07 0.89 0.09 -0.22 -1.93 0.00 0.00 178.83 177.72 2k77 h LYS 62 N 1.21 0.18 -0.08 1.69 3.11 -1.11 -0.40 116.57 121.16 2k77 h LYS 62 Ca 0.30 -0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 57.99 2k77 h LYS 62 Cb 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 32.23 31.22 2k77 h LYS 62 CO -0.05 0.13 -0.55 0.93 -2.81 0.00 0.00 179.45 177.10 2k77 h GLU 63 N 0.17 0.24 0.63 1.90 4.39 -1.10 -0.51 114.58 120.30 2k77 h GLU 63 Ca 0.05 -0.15 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 63 Cb -0.00 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.67 2k77 h GLU 63 CO -0.01 0.73 -0.30 0.28 -1.16 0.00 0.00 179.01 178.55 2k77 h VAL 64 N 0.19 0.26 0.00 3.13 2.07 -0.98 -3.24 116.25 117.67 2k77 h VAL 64 Ca 0.00 -0.28 -0.03 0.00 0.82 0.00 0.00 66.70 67.21 2k77 h VAL 64 Cb 1.03 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 64 CO 0.09 0.03 -0.16 -0.33 0.02 0.00 0.00 177.57 177.22 2k77 h GLU 65 N -1.06 0.00 0.00 1.57 5.08 -1.03 -0.50 114.58 118.65 2k77 h GLU 65 Ca -0.09 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.27 2k77 h GLU 65 Cb 0.69 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.94 2k77 h GLU 65 CO 0.14 0.16 -0.02 0.77 -1.00 0.00 0.00 179.01 179.06 2k77 h SER 66 N 0.00 0.00 0.00 1.42 0.02 -1.17 -1.20 113.55 112.62 2k77 h SER 66 Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2k77 h SER 66 Cb 0.61 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 2k77 h SER 66 CO 0.02 0.02 -2.37 0.18 -1.14 0.00 0.00 176.83 173.54 2k77 n LEU 67 N -3.16 2.77 -0.72 5.07 4.77 -0.45 -4.74 117.00 120.55 2k77 n LEU 67 Ca -0.01 -0.05 0.09 0.00 -0.03 0.00 0.00 56.01 56.01 2k77 n LEU 67 Cb 0.23 -0.82 0.08 0.00 -2.33 0.00 0.00 43.42 40.58 2k77 n LEU 67 CO 0.25 0.84 0.54 2.30 -1.33 0.00 0.00 177.39 179.99 2k77 n ILE 68 N -3.37 0.01 0.12 -0.08 -5.35 -0.32 -4.61 119.36 105.75 2k77 n ILE 68 Ca -0.44 -0.50 0.01 0.00 -0.27 0.00 0.00 62.75 61.55 2k77 n ILE 68 Cb 0.93 1.37 0.06 0.00 -1.74 0.00 0.00 39.64 40.26 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 1.01 -0.31 0.25 3.28 0.00 -0.45 -2.43 105.19 106.55 2k77 n GLY 69 Ca 0.11 -0.01 0.13 0.00 0.00 0.00 0.00 46.02 46.25 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 -0.82 1.61 3.08 -1.85 -3.50 114.38 112.91 2k77 h ARG 70 Ca 0.00 0.00 0.09 0.00 0.07 0.00 0.00 59.98 60.14 2k77 h ARG 70 Cb 0.02 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.03 2k77 h ARG 70 CO 0.00 0.12 -0.26 0.41 -1.07 0.00 0.00 179.97 179.17 2k77 n GLY 71 N -0.09 -2.45 2.75 0.04 0.00 -1.02 -4.93 105.19 99.49 2k77 n GLY 71 Ca -0.00 -1.38 -0.03 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.75 1.47 -1.70 1.61 6.02 -0.17 -4.95 117.38 116.92 2k77 n GLN 72 Ca -0.02 -2.97 -0.42 0.00 -0.01 0.00 0.00 57.00 53.59 2k77 n GLN 72 Cb 0.16 -1.08 -0.03 0.00 1.02 0.00 0.00 30.24 30.31 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 2k77 n GLU 73 N -0.59 2.82 0.00 -1.09 2.13 -0.43 -4.47 120.64 119.02 2k77 n GLU 73 Ca 0.03 1.02 0.00 0.00 0.66 0.00 0.00 57.16 58.88 2k77 n GLU 73 Cb 0.82 -2.91 0.00 0.00 0.27 0.00 0.00 31.44 29.62 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 5.27 0.05 -3.81 5.31 2.81 -1.26 -5.05 117.12 120.44 2k77 n MET 74 Ca 0.17 -0.13 -0.25 0.00 -1.81 0.00 0.00 57.70 55.69 2k77 n MET 74 Cb 0.37 -0.57 0.03 0.00 -0.71 0.00 0.00 33.22 32.33 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 -0.04 -2.56 -4.21 7.83 7.64 -1.26 -5.00 113.62 116.01 2k77 n SER 75 Ca 0.00 -0.82 -0.13 0.00 1.01 0.00 0.00 58.87 58.94 2k77 n SER 75 Cb 0.15 -3.90 -0.10 0.00 -1.01 0.00 0.00 64.21 59.35 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 -6.29 1.23 0.85 1.43 -2.07 -1.26 -5.17 119.66 108.37 2k77 s GLN 76 Ca 0.27 -1.65 -0.11 0.00 -1.82 0.00 0.00 55.36 52.06 2k77 s GLN 76 Cb -0.14 0.20 0.10 0.00 -1.09 0.00 0.00 33.01 32.09 2k77 s GLN 76 CO 0.83 -0.38 1.10 -0.08 -1.32 0.00 0.00 175.29 175.44 2k77 s THR 77 N -4.11 2.86 0.46 3.63 -1.32 -1.26 -4.78 115.64 111.13 2k77 s THR 77 Ca 0.39 0.28 -0.23 0.00 -1.21 0.00 0.00 61.69 60.92 2k77 s THR 77 Cb 0.07 -2.66 -0.07 0.00 -1.51 0.00 0.00 72.50 68.33 2k77 s THR 77 CO 0.12 -0.37 1.17 -0.63 -2.21 0.00 0.00 174.62 172.70 2k77 s ILE 78 N -2.84 3.09 0.09 5.08 1.09 -1.26 -4.85 121.20 121.61 2k77 s ILE 78 Ca 0.63 0.82 0.01 0.00 -1.10 0.00 0.00 60.65 61.01 2k77 s ILE 78 Cb -0.19 -3.41 -0.04 0.00 -1.06 0.00 0.00 42.46 37.76 2k77 s ILE 78 CO 0.57 -0.02 -0.05 -2.28 -0.10 0.00 0.00 174.94 173.07 2k77 s HIS 79 N -1.55 0.82 -0.15 3.97 5.65 -1.23 -5.00 115.29 117.80 2k77 s HIS 79 Ca 0.64 -0.98 -0.10 0.00 0.25 0.00 0.00 55.06 54.87 2k77 s HIS 79 Cb -0.29 -0.50 -0.05 0.00 -1.18 0.00 0.00 32.58 30.57 2k77 s HIS 79 CO 0.35 -0.23 0.19 0.71 -0.65 0.00 0.00 174.74 175.11 2k77 s TYR 80 N -3.72 3.51 0.90 3.88 1.51 -1.26 -0.71 117.35 121.46 2k77 s TYR 80 Ca 0.12 0.51 -0.11 0.00 -1.01 0.00 0.00 57.07 56.58 2k77 s TYR 80 Cb 0.06 -2.13 0.13 0.00 -0.11 0.00 0.00 41.96 39.91 2k77 s TYR 80 CO -0.05 0.46 1.10 0.95 -1.11 0.00 0.00 175.55 176.90 2k77 s THR 81 N -0.21 2.56 0.42 -0.71 -4.23 -0.55 -4.71 115.64 108.22 2k77 s THR 81 Ca 0.13 0.18 0.13 0.00 -1.18 0.00 0.00 61.69 60.96 2k77 s THR 81 Cb -0.12 -2.45 0.34 0.00 1.34 0.00 0.00 72.50 71.60 2k77 s THR 81 CO 0.03 -0.24 1.94 -0.65 -0.54 0.00 0.00 174.62 175.16 2k77 h PRO 82 N -1.68 0.46 -0.25 3.99 0.11 -1.99 0.53 132.00 133.18 2k77 h PRO 82 Ca -0.47 -0.03 -0.13 0.00 0.11 0.00 0.00 66.00 65.48 2k77 h PRO 82 Cb 1.27 -0.10 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.48 0.31 -0.35 0.00 -0.21 0.00 0.00 178.00 178.23 2k77 h ARG 83 N 0.48 0.67 -0.49 1.05 3.08 -1.95 -1.64 114.38 115.58 2k77 h ARG 83 Ca 0.34 -0.39 -0.10 0.00 0.07 0.00 0.00 59.98 59.90 2k77 h ARG 83 Cb 0.67 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.74 2k77 h ARG 83 CO -0.11 1.01 -0.09 0.00 -1.07 0.00 0.00 179.97 179.70 2k77 h ALA 84 N 0.65 0.68 -0.60 0.04 0.00 -1.62 0.09 119.26 118.50 2k77 h ALA 84 Ca 0.03 -0.33 0.07 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 84 Cb 0.93 -0.18 -0.06 0.00 0.00 0.00 0.00 17.79 18.49 2k77 h ALA 84 CO 0.08 0.57 0.28 -0.22 0.00 0.00 0.00 179.25 179.96 2k77 h LYS 85 N 0.79 0.49 -0.59 0.00 3.64 -0.97 -0.01 116.57 119.93 2k77 h LYS 85 Ca 0.13 -0.03 -0.06 0.00 -1.27 0.00 0.00 60.65 59.42 2k77 h LYS 85 Cb 0.64 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.33 2k77 h LYS 85 CO 0.04 0.33 0.14 -0.22 -2.27 0.00 0.00 179.45 177.47 2k77 h LYS 86 N 0.51 0.92 -0.44 1.90 1.63 -0.91 -1.71 116.57 118.45 2k77 h LYS 86 Ca 0.29 -0.20 -0.09 0.00 -0.85 0.00 0.00 60.65 59.79 2k77 h LYS 86 Cb 0.27 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.75 2k77 h LYS 86 CO -0.23 0.82 -0.11 0.28 -3.45 0.00 0.00 179.45 176.76 2k77 h VAL 87 N 0.88 1.26 -0.79 2.00 2.07 -0.35 0.96 116.25 122.28 2k77 h VAL 87 Ca 0.19 -1.17 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 2k77 h VAL 87 Cb 0.32 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 2k77 h VAL 87 CO -0.00 0.40 0.30 0.40 0.02 0.00 0.00 177.57 178.70 2k77 h ILE 88 N 0.72 1.26 -0.31 4.57 1.08 -0.71 0.97 117.51 125.10 2k77 h ILE 88 Ca 0.12 -0.84 -0.11 0.00 -0.39 0.00 0.00 64.86 63.64 2k77 h ILE 88 Cb 0.59 0.34 -0.01 0.00 -3.07 0.00 0.00 36.82 34.67 2k77 h ILE 88 CO 0.04 0.34 -0.24 -0.33 -0.69 0.00 0.00 178.15 177.27 2k77 h GLU 89 N 1.15 0.70 -0.03 2.37 5.08 -1.09 -3.04 114.58 119.72 2k77 h GLU 89 Ca 0.26 -0.35 -0.24 0.00 -1.00 0.00 0.00 59.36 58.03 2k77 h GLU 89 Cb 0.23 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.49 2k77 h GLU 89 CO -0.02 0.95 -0.95 -0.07 -1.00 0.00 0.00 179.01 177.92 2k77 h LEU 90 N 0.46 0.77 -1.31 1.33 3.38 -0.68 -1.69 115.31 117.57 2k77 h LEU 90 Ca 0.06 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.42 2k77 h LEU 90 Cb 0.79 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2k77 h LEU 90 CO 0.06 1.39 0.24 0.77 0.09 0.00 0.00 178.44 180.99 2k77 h SER 91 N 0.36 0.64 -0.18 -0.43 4.64 -0.91 0.29 113.55 117.95 2k77 h SER 91 Ca -0.10 -0.06 -0.11 0.00 -0.47 0.00 0.00 61.79 61.05 2k77 h SER 91 Cb 1.59 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 63.51 2k77 h SER 91 CO 0.18 0.55 -0.26 -0.03 -0.87 0.00 0.00 176.83 176.40 2k77 h MET 92 N 0.72 0.65 0.00 4.77 1.85 -1.45 -0.68 114.93 120.78 2k77 h MET 92 Ca 0.18 -0.26 -0.07 0.00 -0.61 0.00 0.00 59.70 58.93 2k77 h MET 92 Cb 0.08 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.07 2k77 h MET 92 CO -0.02 0.84 -0.35 0.22 -0.40 0.00 0.00 176.91 177.19 2k77 h ASP 93 N 0.56 0.00 0.51 1.39 3.58 -0.33 -1.20 116.42 120.93 2k77 h ASP 93 Ca 0.08 0.00 -0.26 0.00 0.42 0.00 0.00 57.03 57.26 2k77 h ASP 93 Cb 0.73 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.79 2k77 h ASP 93 CO 0.06 0.35 -1.17 -0.33 -2.88 0.00 0.00 179.24 175.27 2k77 h GLU 94 N 0.00 0.34 -0.58 0.28 4.39 -0.79 -3.14 114.58 115.07 2k77 h GLU 94 Ca -0.00 -0.50 -0.03 0.00 0.34 0.00 0.00 59.36 59.17 2k77 h GLU 94 Cb 0.63 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.42 2k77 h GLU 94 CO 0.05 1.20 0.24 0.00 -1.16 0.00 0.00 179.01 179.34 2k77 h ALA 95 N 0.60 1.33 -0.27 3.43 0.00 -0.93 -2.10 119.26 121.30 2k77 h ALA 95 Ca -0.13 -0.15 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 2k77 h ALA 95 Cb 1.87 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.40 2k77 h ALA 95 CO 0.20 0.51 0.16 0.00 0.00 0.00 0.00 179.25 180.11 2k77 h ARG 96 N 0.83 0.37 0.00 0.00 3.08 -1.27 -1.89 114.38 115.50 2k77 h ARG 96 Ca 0.20 -0.03 -0.09 0.00 0.07 0.00 0.00 59.98 60.13 2k77 h ARG 96 Cb 0.15 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.11 2k77 h ARG 96 CO -0.02 0.26 -0.43 0.87 -1.07 0.00 0.00 179.97 179.59 2k77 h LYS 97 N 0.38 0.00 -0.00 0.04 1.57 -1.33 -2.21 116.57 115.01 2k77 h LYS 97 Ca 0.10 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2k77 h LYS 97 Cb -0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2k77 h LYS 97 CO -0.02 0.43 -0.21 1.28 -0.57 0.00 0.00 179.45 180.36 2k77 n LEU 98 N -3.61 0.28 -0.49 2.94 7.99 -1.01 -4.96 117.00 118.14 2k77 n LEU 98 Ca -0.00 0.21 -0.06 0.00 -0.01 0.00 0.00 56.01 56.15 2k77 n LEU 98 Cb 0.53 -0.34 -0.03 0.00 -0.11 0.00 0.00 43.42 43.47 2k77 n LEU 98 CO 0.38 0.06 -0.06 0.61 -1.51 0.00 0.00 177.39 176.87 2k77 n GLY 99 N 1.46 0.87 3.79 -0.72 0.00 -0.83 -5.03 105.19 104.72 2k77 n GLY 99 Ca 0.08 -0.65 -0.38 0.00 0.00 0.00 0.00 46.02 45.07 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 -2.20 3.79 -1.55 1.61 3.76 -0.77 -4.98 115.29 114.96 2k77 s HIS 100 Ca 0.00 1.64 0.04 0.00 -0.15 0.00 0.00 55.06 56.59 2k77 s HIS 100 Cb 0.00 -2.79 0.16 0.00 1.11 0.00 0.00 32.58 31.06 2k77 s HIS 100 CO 0.00 0.38 0.99 0.43 -0.85 0.00 0.00 174.74 175.70 2k77 n SER 101 N 1.08 1.36 -3.57 1.40 7.64 -1.26 -4.47 113.62 115.81 2k77 n SER 101 Ca -0.02 -2.08 -0.16 0.00 1.01 0.00 0.00 58.87 57.62 2k77 n SER 101 Cb 0.49 -0.28 -0.06 0.00 -1.01 0.00 0.00 64.21 63.36 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2k77 s TYR 102 N -1.63 -0.51 -0.32 1.43 -0.85 -1.26 -4.61 117.35 109.59 2k77 s TYR 102 Ca 0.12 0.76 -0.20 0.00 -0.52 0.00 0.00 57.07 57.22 2k77 s TYR 102 Cb 0.07 0.35 -0.01 0.00 0.38 0.00 0.00 41.96 42.76 2k77 s TYR 102 CO 0.06 -0.60 0.61 0.08 -1.52 0.00 0.00 175.55 174.18 2k77 s VAL 103 N -1.74 4.95 0.81 -3.49 1.01 0.11 -4.89 120.40 117.15 2k77 s VAL 103 Ca -0.09 0.72 -0.09 0.00 0.00 0.00 0.00 61.98 62.52 2k77 s VAL 103 Cb -0.01 -4.00 0.12 0.00 0.00 0.00 0.00 36.38 32.49 2k77 s VAL 103 CO 0.04 -0.18 1.14 -0.83 0.00 0.00 0.00 175.10 175.27 2k77 s GLY 104 N 1.69 1.72 0.25 4.51 0.00 -1.26 -1.20 107.32 113.04 2k77 s GLY 104 Ca 0.24 -1.14 -0.05 0.00 0.00 0.00 0.00 44.72 43.77 2k77 s GLY 104 CO 0.13 -0.57 1.89 -0.91 0.00 0.00 0.00 173.10 173.64 2k77 h THR 105 N -1.00 1.15 -0.42 0.90 1.35 -1.93 -1.11 112.91 111.85 2k77 h THR 105 Ca -0.43 -0.41 0.08 0.00 -0.55 0.00 0.00 66.41 65.10 2k77 h THR 105 Cb 1.28 -0.16 -0.09 0.00 -1.73 0.00 0.00 68.15 67.45 2k77 h THR 105 CO 0.49 0.22 -0.33 1.05 -0.25 0.00 0.00 175.52 176.71 2k77 h GLU 106 N 1.20 -0.23 -0.08 4.72 9.09 -1.94 -2.06 114.58 125.28 2k77 h GLU 106 Ca 0.39 0.02 -0.12 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 106 Cb 0.03 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.17 2k77 h GLU 106 CO -0.13 -0.16 -0.50 0.45 0.05 0.00 0.00 179.01 178.72 2k77 h HIS 107 N -0.24 0.24 -0.18 2.06 3.86 -1.73 -1.38 115.15 117.78 2k77 h HIS 107 Ca 0.18 -0.08 0.03 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 107 Cb 0.54 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.93 2k77 h HIS 107 CO -0.55 0.66 -0.03 0.82 0.86 0.00 0.00 177.93 179.70 2k77 h ILE 108 N 0.16 0.84 -0.48 2.45 2.04 -0.89 0.30 117.51 121.92 2k77 h ILE 108 Ca 0.01 -0.01 -0.03 0.00 1.00 0.00 0.00 64.86 65.83 2k77 h ILE 108 Cb 0.95 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 2k77 h ILE 108 CO 0.08 0.00 0.19 0.25 0.00 0.00 0.00 178.15 178.67 2k77 h LEU 109 N 0.02 0.67 -1.36 1.44 5.85 -1.01 -1.05 115.31 119.88 2k77 h LEU 109 Ca 0.08 -0.17 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 109 Cb 0.12 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2k77 h LEU 109 CO -0.17 0.66 0.51 -0.07 -0.34 0.00 0.00 178.44 179.03 2k77 h LEU 110 N 0.64 0.66 -0.48 2.25 3.38 -1.05 -1.49 115.31 119.21 2k77 h LEU 110 Ca 0.16 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 2k77 h LEU 110 Cb 0.20 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2k77 h LEU 110 CO -0.01 0.40 0.18 1.23 0.09 0.00 0.00 178.44 180.33 2k77 h GLY 111 N 0.74 0.78 0.97 0.83 0.00 -0.21 -0.07 103.07 106.10 2k77 h GLY 111 Ca 0.35 -0.43 0.01 0.00 0.00 0.00 0.00 47.33 47.25 2k77 h GLY 111 CO -0.13 0.41 0.20 1.41 0.00 0.00 0.00 176.54 178.43 2k77 h LEU 112 N 0.63 0.35 -0.44 3.11 3.38 -0.23 -1.00 115.31 121.11 2k77 h LEU 112 Ca 0.16 -0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 112 Cb 0.22 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 112 CO -0.01 0.25 -0.76 0.16 0.09 0.00 0.00 178.44 178.17 2k77 h ILE 113 N 0.42 1.45 -0.27 1.22 3.07 -1.37 -2.90 117.51 119.13 2k77 h ILE 113 Ca 0.12 -2.35 -0.05 0.00 1.55 0.00 0.00 64.86 64.13 2k77 h ILE 113 Cb -0.03 2.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.77 2k77 h ILE 113 CO -0.04 0.69 -0.07 -0.09 -1.05 0.00 0.00 178.15 177.59 2k77 h ARG 114 N 0.14 0.43 -0.13 0.16 9.65 -0.81 -2.84 114.38 120.97 2k77 h ARG 114 Ca -0.03 -0.10 -0.03 0.00 -1.10 0.00 0.00 59.98 58.72 2k77 h ARG 114 Cb 1.33 -0.06 -0.00 0.00 -1.39 0.00 0.00 29.97 29.85 2k77 h ARG 114 CO 0.12 0.51 -0.05 1.49 2.80 0.00 0.00 179.97 184.83 2k77 h GLU 115 N 0.41 0.26 0.00 0.20 4.22 -1.18 -3.48 114.58 115.01 2k77 h GLU 115 Ca 0.08 -0.11 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2k77 h GLU 115 Cb 0.37 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2k77 h GLU 115 CO 0.02 0.58 0.00 0.41 -2.18 0.00 0.00 179.01 177.84 2k77 n GLY 116 N -0.04 0.44 0.00 1.92 0.00 -1.07 -4.73 105.19 101.70 2k77 n GLY 116 Ca -0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.96 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 -1.72 2.76 -0.79 1.61 2.13 -1.26 -4.84 120.64 118.53 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 0.07 -0.71 0.23 0.00 0.27 0.00 0.00 31.44 31.30 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 -1.24 1.54 0.36 8.31 0.00 -1.26 -4.78 107.32 110.24 2k77 s GLY 118 Ca 0.00 -0.37 0.04 0.00 0.00 0.00 0.00 44.72 44.40 2k77 s GLY 118 CO 0.00 0.37 1.98 -2.08 0.00 0.00 0.00 173.10 173.37 2k77 h VAL 119 N -2.48 1.08 -0.12 1.40 2.07 -1.98 -2.31 116.25 113.91 2k77 h VAL 119 Ca -0.57 -0.28 0.01 0.00 0.82 0.00 0.00 66.70 66.69 2k77 h VAL 119 Cb 1.33 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2k77 h VAL 119 CO 0.50 0.15 0.03 0.00 0.02 0.00 0.00 177.57 178.27 2k77 h ALA 120 N 1.60 0.12 -0.62 1.67 0.00 -1.91 0.80 119.26 120.92 2k77 h ALA 120 Ca 0.28 0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2k77 h ALA 120 Cb 0.11 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.89 2k77 h ALA 120 CO -0.08 -0.43 0.31 0.00 0.00 0.00 0.00 179.25 179.05 2k77 h ALA 121 N 1.08 1.38 -0.31 0.00 0.00 -1.66 -2.50 119.26 117.25 2k77 h ALA 121 Ca 0.05 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 121 Cb 0.04 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 2k77 h ALA 121 CO -0.07 0.49 -0.10 -0.09 0.00 0.00 0.00 179.25 179.48 2k77 h ARG 122 N 0.87 0.62 -0.39 0.00 9.65 -0.90 -2.30 114.38 121.93 2k77 h ARG 122 Ca 0.22 -0.25 0.04 0.00 -1.10 0.00 0.00 59.98 58.89 2k77 h ARG 122 Cb 0.07 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 28.58 2k77 h ARG 122 CO -0.03 0.82 0.14 0.28 2.80 0.00 0.00 179.97 183.98 2k77 h VAL 123 N 0.39 0.89 -0.60 0.20 2.07 -0.71 0.33 116.25 118.83 2k77 h VAL 123 Ca 0.08 -0.10 -0.01 0.00 0.82 0.00 0.00 66.70 67.48 2k77 h VAL 123 Cb 0.61 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.91 2k77 h VAL 123 CO 0.04 0.06 0.32 -0.07 0.02 0.00 0.00 177.57 177.93 2k77 h LEU 124 N 0.31 0.76 -0.90 2.57 3.38 -1.42 -1.63 115.31 118.37 2k77 h LEU 124 Ca 0.18 -0.10 -0.11 0.00 0.09 0.00 0.00 57.88 57.94 2k77 h LEU 124 Cb 0.15 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 2k77 h LEU 124 CO -0.18 0.64 -0.34 0.78 0.09 0.00 0.00 178.44 179.43 2k77 h ASN 125 N 0.82 0.40 -0.58 -0.43 2.35 -1.06 0.21 115.58 117.29 2k77 h ASN 125 Ca 0.21 -0.15 -0.07 0.00 -0.55 0.00 0.00 56.30 55.74 2k77 h ASN 125 Cb 0.06 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.30 2k77 h ASN 125 CO -0.03 0.72 0.10 0.78 -1.65 0.00 0.00 177.43 177.34 2k77 h ASN 126 N 0.33 0.92 0.57 5.81 4.21 -0.62 -3.16 115.58 123.64 2k77 h ASN 126 Ca 0.04 -0.26 -0.17 0.00 1.21 0.00 0.00 56.30 57.12 2k77 h ASN 126 Cb 0.77 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.71 2k77 h ASN 126 CO 0.06 0.95 -0.75 -0.07 -1.29 0.00 0.00 177.43 176.33 2k77 h LEU 127 N 0.86 0.17 0.00 1.61 3.38 -1.13 -3.48 115.31 116.72 2k77 h LEU 127 Ca 0.18 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 127 Cb 0.42 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k77 h LEU 127 CO 0.01 0.86 0.00 0.61 0.09 0.00 0.00 178.44 180.01 2k77 n GLY 128 N 0.59 0.68 3.78 0.83 0.00 -0.29 -5.10 105.19 105.69 2k77 n GLY 128 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.55 4.21 0.35 1.61 1.01 -0.09 -4.95 120.40 120.98 2k77 s VAL 129 Ca 0.00 1.83 0.09 0.00 0.00 0.00 0.00 61.98 63.90 2k77 s VAL 129 Cb 0.00 -4.03 -0.06 0.00 0.00 0.00 0.00 36.38 32.29 2k77 s VAL 129 CO 0.00 0.18 -0.03 -0.94 0.00 0.00 0.00 175.10 174.31 2k77 s SER 130 N -1.58 3.99 0.24 3.32 1.04 -1.26 -3.24 113.70 116.21 2k77 s SER 130 Ca 0.49 -1.09 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2k77 s SER 130 Cb -0.19 -0.45 0.45 0.00 0.10 0.00 0.00 66.02 65.93 2k77 s SER 130 CO 0.24 -0.24 1.72 0.25 0.98 0.00 0.00 173.24 176.19 2k77 h LEU 131 N 1.88 0.20 -0.11 2.42 6.46 -1.98 -1.34 115.31 122.85 2k77 h LEU 131 Ca -0.42 0.12 -0.04 0.00 -0.12 0.00 0.00 57.88 57.41 2k77 h LEU 131 Cb 1.25 0.12 -0.00 0.00 -0.73 0.00 0.00 40.66 41.29 2k77 h LEU 131 CO 0.69 0.06 -0.11 0.78 -0.62 0.00 0.00 178.44 179.25 2k77 h ASN 132 N 0.39 0.28 -0.46 1.25 4.21 -1.98 -1.50 115.58 117.77 2k77 h ASN 132 Ca 0.41 -0.48 -0.13 0.00 1.21 0.00 0.00 56.30 57.31 2k77 h ASN 132 Cb 0.64 -0.08 -0.01 0.00 -1.12 0.00 0.00 38.32 37.75 2k77 h ASN 132 CO -0.43 0.70 -0.20 0.11 -1.29 0.00 0.00 177.43 176.33 2k77 h LYS 133 N -0.13 0.96 -0.48 0.81 1.57 -1.91 -0.67 116.57 116.71 2k77 h LYS 133 Ca 0.02 -0.41 -0.06 0.00 -1.87 0.00 0.00 60.65 58.33 2k77 h LYS 133 Cb 0.62 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2k77 h LYS 133 CO 0.03 1.07 0.04 0.00 -0.57 0.00 0.00 179.45 180.03 2k77 h ALA 134 N 0.86 0.64 0.02 3.86 0.00 -1.33 -1.88 119.26 121.42 2k77 h ALA 134 Ca 0.11 -0.25 0.03 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 134 Cb 0.78 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.35 2k77 h ALA 134 CO 0.06 0.40 -0.21 0.00 0.00 0.00 0.00 179.25 179.50 2k77 h ARG 135 N 0.67 -0.34 -0.65 0.00 3.08 -1.08 -1.51 114.38 114.55 2k77 h ARG 135 Ca 0.14 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.21 2k77 h ARG 135 Cb 0.44 0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 2k77 h ARG 135 CO 0.02 -0.22 0.38 1.96 -1.07 0.00 0.00 179.97 181.03 2k77 h GLN 136 N -0.35 0.90 -0.15 0.04 1.08 -1.02 0.03 115.11 115.64 2k77 h GLN 136 Ca 0.05 -0.09 -0.19 0.00 -1.45 0.00 0.00 58.65 56.98 2k77 h GLN 136 Cb 0.42 -0.18 -0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2k77 h GLN 136 CO -0.18 0.65 -0.68 1.96 -0.95 0.00 0.00 178.83 179.64 2k77 h GLN 137 N 0.89 0.59 -0.17 1.46 1.08 -1.27 -1.45 115.11 116.23 2k77 h GLN 137 Ca 0.23 -0.44 -0.07 0.00 -1.45 0.00 0.00 58.65 56.92 2k77 h GLN 137 Cb -0.00 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.50 2k77 h GLN 137 CO -0.04 1.06 -0.17 0.28 -0.95 0.00 0.00 178.83 179.00 2k77 h VAL 138 N 0.42 1.34 0.00 -0.54 2.07 -1.13 -0.58 116.25 117.83 2k77 h VAL 138 Ca -0.02 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.11 2k77 h VAL 138 Cb 1.26 1.83 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2k77 h VAL 138 CO 0.13 0.40 -0.24 -0.07 0.02 0.00 0.00 177.57 177.81 2k77 h LEU 139 N 0.07 0.00 0.11 2.57 3.38 -1.03 -1.85 115.31 118.56 2k77 h LEU 139 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 139 Cb 0.71 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 139 CO 0.04 0.24 -0.05 -0.61 0.09 0.00 0.00 178.44 178.15 2k77 h GLN 140 N 0.00 -0.14 0.00 1.13 4.15 -1.23 -3.39 115.11 115.63 2k77 h GLN 140 Ca -0.00 0.01 0.00 0.00 0.77 0.00 0.00 58.65 59.43 2k77 h GLN 140 Cb 0.54 0.03 0.00 0.00 0.21 0.00 0.00 27.48 28.26 2k77 h GLN 140 CO 0.03 0.34 0.00 1.25 -1.93 0.00 0.00 178.83 178.53 2k77 h LEU 141 N -0.86 0.00 0.00 -2.39 5.85 -0.89 0.07 115.31 117.09 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 0.56 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.59 2k77 h LEU 141 CO 0.03 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.13 2k77 n LEU 142 N -3.06 0.00 0.00 2.25 -0.00 -0.71 -4.68 117.00 110.80 2k77 n LEU 142 Ca 0.02 0.38 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k77 n LEU 142 Cb 0.38 -0.38 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 2k77 n LEU 142 CO 0.29 -0.24 0.00 0.61 -0.00 0.00 0.00 177.39 178.06 2k77 n GLY 143 N -0.36 0.10 0.12 1.47 0.00 -1.20 -5.03 105.19 100.29 2k77 n GLY 143 Ca 0.04 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.07 2k77 n GLY 143 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k77 h SER 144 N 0.00 0.00 0.00 1.61 0.87 -1.52 -3.52 113.55 111.00 2k77 h SER 144 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.56 2k77 h SER 144 Cb 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2k77 h SER 144 CO 0.00 0.58 0.00 -3.20 -0.53 0.00 0.00 176.83 173.68