#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 1.25 -0.13 0.03 0.00 -1.26 -5.09 119.30 114.09 2k77 s MET 2 Ca 0.00 -1.14 0.18 0.00 0.00 0.00 0.00 55.69 54.73 2k77 s MET 2 Cb 0.00 0.41 -0.26 0.00 0.00 0.00 0.00 34.83 34.98 2k77 s MET 2 CO 0.00 -0.48 0.26 1.97 0.00 0.00 0.00 175.02 176.77 2k77 n PHE 3 N -0.26 0.15 -0.61 3.16 1.16 -1.26 -5.02 117.46 114.79 2k77 n PHE 3 Ca -0.07 0.05 0.00 0.00 -1.87 0.00 0.00 57.45 55.56 2k77 n PHE 3 Cb 0.63 -0.92 0.00 0.00 -1.61 0.00 0.00 39.48 37.58 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 1.61 0.69 3.75 4.97 0.00 -1.26 -4.99 105.19 109.95 2k77 n GLY 4 Ca -0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -0.41 4.79 0.08 1.61 0.52 -1.26 -5.00 118.95 119.28 2k77 s ARG 5 Ca 0.00 1.56 0.10 0.00 -0.52 0.00 0.00 55.73 56.87 2k77 s ARG 5 Cb 0.00 -3.27 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2k77 s ARG 5 CO 0.00 0.41 -0.26 -0.06 0.02 0.00 0.00 175.30 175.40 2k77 s PHE 6 N -1.01 2.30 0.93 -0.53 0.40 -1.26 -0.58 117.98 118.24 2k77 s PHE 6 Ca 0.43 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.25 2k77 s PHE 6 Cb -0.27 -1.33 0.15 0.00 0.51 0.00 0.00 43.02 42.08 2k77 s PHE 6 CO 0.34 0.21 1.10 0.95 0.70 0.00 0.00 175.22 178.51 2k77 s THR 7 N -0.91 2.44 0.43 0.64 -4.23 -0.39 -4.71 115.64 108.91 2k77 s THR 7 Ca 0.12 0.14 0.09 0.00 -1.18 0.00 0.00 61.69 60.87 2k77 s THR 7 Cb -0.10 -2.38 0.24 0.00 1.34 0.00 0.00 72.50 71.60 2k77 s THR 7 CO 0.04 -0.19 2.04 1.05 -0.54 0.00 0.00 174.62 177.02 2k77 h GLU 8 N -1.81 0.35 -0.07 3.99 4.11 -1.99 -0.01 114.58 119.16 2k77 h GLU 8 Ca -0.49 -0.04 -0.20 0.00 0.07 0.00 0.00 59.36 58.70 2k77 h GLU 8 Cb 1.28 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.46 2k77 h GLU 8 CO 0.49 0.29 -0.80 0.00 0.07 0.00 0.00 179.01 179.06 2k77 h ARG 9 N 0.36 0.49 -0.33 1.06 3.08 -1.96 -2.43 114.38 114.65 2k77 h ARG 9 Ca 0.09 -0.43 -0.10 0.00 0.07 0.00 0.00 59.98 59.61 2k77 h ARG 9 Cb 0.07 0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.21 2k77 h ARG 9 CO -0.01 1.07 -0.18 0.00 -1.07 0.00 0.00 179.97 179.78 2k77 h ALA 10 N 0.80 0.46 -1.00 0.04 0.00 -1.69 -1.36 119.26 116.51 2k77 h ALA 10 Ca -0.05 -0.35 0.07 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 10 Cb 1.40 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.01 2k77 h ALA 10 CO 0.14 0.39 0.65 1.96 0.00 0.00 0.00 179.25 182.39 2k77 h GLN 11 N 0.46 1.13 -0.67 0.00 4.20 -1.09 -2.01 115.11 117.13 2k77 h GLN 11 Ca 0.07 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.64 2k77 h GLN 11 Cb 0.72 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.21 2k77 h GLN 11 CO 0.05 0.75 0.12 -0.22 -0.67 0.00 0.00 178.83 178.87 2k77 h LYS 12 N 1.17 1.11 -0.42 1.46 3.64 -1.06 -0.25 116.57 122.22 2k77 h LYS 12 Ca 0.44 -0.29 -0.07 0.00 -1.27 0.00 0.00 60.65 59.46 2k77 h LYS 12 Cb 0.19 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 2k77 h LYS 12 CO -0.18 1.00 -0.02 -0.39 -2.27 0.00 0.00 179.45 177.59 2k77 h VAL 13 N 1.03 1.23 -0.03 2.00 -1.51 -0.77 -0.60 116.25 117.60 2k77 h VAL 13 Ca 0.21 -0.97 -0.18 0.00 -1.23 0.00 0.00 66.70 64.53 2k77 h VAL 13 Cb 0.42 0.94 -0.01 0.00 -2.13 0.00 0.00 31.29 30.52 2k77 h VAL 13 CO 0.01 0.33 -0.77 -0.07 -1.23 0.00 0.00 177.57 175.84 2k77 h LEU 14 N 0.64 0.32 -0.58 4.19 3.38 -1.14 0.43 115.31 122.54 2k77 h LEU 14 Ca 0.13 -0.22 -0.11 0.00 0.09 0.00 0.00 57.88 57.77 2k77 h LEU 14 Cb 0.44 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2k77 h LEU 14 CO 0.02 0.97 -0.05 0.00 0.09 0.00 0.00 178.44 179.47 2k77 h ALA 15 N 1.02 0.79 -0.05 1.53 0.00 -0.88 -2.73 119.26 118.93 2k77 h ALA 15 Ca -0.03 -0.33 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 15 Cb 1.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k77 h ALA 15 CO 0.12 0.66 -0.45 -0.07 0.00 0.00 0.00 179.25 179.51 2k77 h LEU 16 N 0.95 0.13 -1.15 0.00 3.38 -1.00 -2.05 115.31 115.57 2k77 h LEU 16 Ca 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 16 Cb 0.62 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 41.30 2k77 h LEU 16 CO 0.04 0.56 0.37 0.00 0.09 0.00 0.00 178.44 179.50 2k77 h ALA 17 N 1.44 1.35 -0.34 1.53 0.00 -0.76 0.33 119.26 122.81 2k77 h ALA 17 Ca 0.01 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 17 Cb 0.84 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 17 CO 0.06 0.53 -0.23 0.37 0.00 0.00 0.00 179.25 179.98 2k77 h GLN 18 N 0.97 0.76 -0.85 0.00 4.15 -1.20 -0.80 115.11 118.14 2k77 h GLN 18 Ca 0.24 -0.36 -0.03 0.00 0.77 0.00 0.00 58.65 59.27 2k77 h GLN 18 Cb 0.04 -0.01 -0.04 0.00 0.21 0.00 0.00 27.48 27.69 2k77 h GLN 18 CO -0.04 0.98 0.40 1.49 -1.93 0.00 0.00 178.83 179.74 2k77 h GLU 19 N 0.54 1.23 -0.10 1.69 4.81 -1.02 -1.19 114.58 120.54 2k77 h GLU 19 Ca 0.07 -0.19 -0.19 0.00 -0.13 0.00 0.00 59.36 58.92 2k77 h GLU 19 Cb 0.79 -0.22 -0.00 0.00 0.63 0.00 0.00 28.75 29.95 2k77 h GLU 19 CO 0.06 0.95 -0.74 0.93 -0.73 0.00 0.00 179.01 179.48 2k77 h GLU 20 N 1.21 0.49 -0.21 1.92 4.39 -0.93 -0.18 114.58 121.27 2k77 h GLU 20 Ca 0.29 -0.40 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2k77 h GLU 20 Cb 0.13 0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.84 2k77 h GLU 20 CO -0.04 1.03 0.09 0.00 -1.16 0.00 0.00 179.01 178.94 2k77 h ALA 21 N 0.85 0.25 -0.77 3.43 0.00 -0.98 -1.78 119.26 120.26 2k77 h ALA 21 Ca -0.04 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 21 Cb 1.33 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2k77 h ALA 21 CO 0.13 -0.32 0.32 -0.07 0.00 0.00 0.00 179.25 179.31 2k77 h LEU 22 N 0.21 1.05 -0.99 0.00 3.38 -1.14 0.82 115.31 118.65 2k77 h LEU 22 Ca 0.09 -0.17 0.03 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 22 Cb 0.04 -0.27 -0.06 0.00 0.09 0.00 0.00 40.66 40.46 2k77 h LEU 22 CO -0.07 0.93 0.65 -0.09 0.09 0.00 0.00 178.44 179.94 2k77 h ARG 23 N 1.11 1.23 -0.01 1.13 2.43 -0.85 -2.61 114.38 116.80 2k77 h ARG 23 Ca 0.26 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.35 2k77 h ARG 23 Cb 0.20 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 29.47 2k77 h ARG 23 CO -0.02 0.81 -0.00 1.28 -1.51 0.00 0.00 179.97 180.53 2k77 n LEU 24 N -4.44 1.36 -0.30 3.80 4.77 -0.69 -4.96 117.00 116.55 2k77 n LEU 24 Ca 0.13 -0.45 -0.04 0.00 -0.03 0.00 0.00 56.01 55.62 2k77 n LEU 24 Cb 0.08 -0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.15 2k77 n LEU 24 CO 0.35 0.23 -0.04 0.61 -1.33 0.00 0.00 177.39 177.21 2k77 n GLY 25 N 1.16 0.68 3.65 -0.72 0.00 -0.64 -0.94 105.19 108.38 2k77 n GLY 25 Ca 0.19 -0.58 -0.41 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.07 3.33 -0.55 1.61 3.76 0.19 -2.28 115.29 119.28 2k77 s HIS 26 Ca 0.00 1.10 0.02 0.00 -0.15 0.00 0.00 55.06 56.03 2k77 s HIS 26 Cb 0.00 -3.00 0.15 0.00 1.11 0.00 0.00 32.58 30.84 2k77 s HIS 26 CO 0.00 -0.35 0.92 -1.71 -0.85 0.00 0.00 174.74 172.75 2k77 n ASN 27 N 5.77 2.41 -3.86 1.40 5.15 -1.02 -3.84 115.26 121.27 2k77 n ASN 27 Ca 0.04 -2.23 -0.11 0.00 -0.60 0.00 0.00 54.58 51.68 2k77 n ASN 27 Cb 0.48 -0.55 -0.09 0.00 -0.53 0.00 0.00 39.78 39.09 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 2k77 s ASN 28 N 0.13 0.04 -0.25 1.20 0.01 -1.26 -2.58 114.94 112.23 2k77 s ASN 28 Ca 0.11 -0.34 -0.11 0.00 -0.71 0.00 0.00 52.86 51.81 2k77 s ASN 28 Cb 0.09 0.27 -0.05 0.00 0.41 0.00 0.00 41.25 41.96 2k77 s ASN 28 CO 0.03 -0.51 0.20 -0.63 -1.51 0.00 0.00 177.10 174.68 2k77 s ILE 29 N -2.29 5.32 0.53 0.60 1.01 0.13 -4.84 121.20 121.66 2k77 s ILE 29 Ca -0.07 0.25 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2k77 s ILE 29 Cb -0.02 -3.54 0.06 0.00 0.01 0.00 0.00 42.46 38.96 2k77 s ILE 29 CO -0.03 0.30 0.66 -0.83 0.00 0.00 0.00 174.94 175.05 2k77 s GLY 30 N 1.26 1.90 0.28 6.18 0.00 -1.26 -1.51 107.32 114.17 2k77 s GLY 30 Ca 0.09 -1.90 0.01 0.00 0.00 0.00 0.00 44.72 42.91 2k77 s GLY 30 CO 0.07 -1.70 1.83 -0.91 0.00 0.00 0.00 173.10 172.39 2k77 h THR 31 N 0.41 0.92 -0.52 0.90 1.35 -1.94 -1.98 112.91 112.05 2k77 h THR 31 Ca -0.33 -0.33 0.11 0.00 -0.55 0.00 0.00 66.41 65.30 2k77 h THR 31 Cb 1.29 -0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.47 2k77 h THR 31 CO 0.45 0.18 -0.14 1.05 -0.25 0.00 0.00 175.52 176.81 2k77 h GLU 32 N 0.97 -0.01 -0.03 4.72 9.09 -1.94 -0.78 114.58 126.60 2k77 h GLU 32 Ca 0.49 0.00 -0.13 0.00 0.05 0.00 0.00 59.36 59.77 2k77 h GLU 32 Cb 0.47 0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.56 2k77 h GLU 32 CO -0.26 -0.01 -0.58 0.45 0.05 0.00 0.00 179.01 178.66 2k77 h HIS 33 N -0.01 0.13 -0.28 2.06 3.86 -1.72 -0.15 115.15 119.04 2k77 h HIS 33 Ca 0.25 -0.05 -0.11 0.00 -1.16 0.00 0.00 60.37 59.30 2k77 h HIS 33 Cb 0.39 -0.02 -0.00 0.00 1.06 0.00 0.00 27.41 28.84 2k77 h HIS 33 CO -0.45 0.66 -0.27 0.82 0.86 0.00 0.00 177.93 179.55 2k77 h ILE 34 N 0.08 1.30 -0.70 2.45 2.04 -1.15 0.12 117.51 121.65 2k77 h ILE 34 Ca -0.00 -1.43 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 2k77 h ILE 34 Cb 1.05 1.60 -0.03 0.00 -0.74 0.00 0.00 36.82 38.70 2k77 h ILE 34 CO 0.08 0.46 0.16 0.25 0.00 0.00 0.00 178.15 179.09 2k77 h LEU 35 N 0.41 1.08 -0.55 1.44 5.85 -0.99 -1.04 115.31 121.50 2k77 h LEU 35 Ca 0.05 -0.24 -0.15 0.00 0.84 0.00 0.00 57.88 58.38 2k77 h LEU 35 Cb 0.84 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.57 2k77 h LEU 35 CO 0.07 1.04 -0.43 0.25 -0.34 0.00 0.00 178.44 179.03 2k77 h LEU 36 N 1.07 0.73 -1.01 2.25 5.85 -0.99 -2.69 115.31 120.52 2k77 h LEU 36 Ca 0.22 -0.34 -0.04 0.00 0.84 0.00 0.00 57.88 58.56 2k77 h LEU 36 Cb 0.39 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.19 2k77 h LEU 36 CO 0.01 1.06 0.27 1.23 -0.34 0.00 0.00 178.44 180.66 2k77 h GLY 37 N 0.97 1.05 0.61 3.75 0.00 -0.61 -1.60 103.07 107.24 2k77 h GLY 37 Ca 0.04 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.83 2k77 h GLY 37 CO 0.09 0.52 -0.33 1.41 0.00 0.00 0.00 176.54 178.23 2k77 h LEU 38 N 0.96 -0.90 -1.25 3.11 3.38 -1.00 -1.60 115.31 118.02 2k77 h LEU 38 Ca 0.23 0.08 -0.08 0.00 0.09 0.00 0.00 57.88 58.20 2k77 h LEU 38 Cb 0.18 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2k77 h LEU 38 CO -0.02 -0.46 -0.37 -0.37 0.09 0.00 0.00 178.44 177.31 2k77 h VAL 39 N -0.66 1.20 0.00 1.22 -1.51 -1.40 -1.12 116.25 113.98 2k77 h VAL 39 Ca -0.01 -1.29 -0.04 0.00 -1.23 0.00 0.00 66.70 64.13 2k77 h VAL 39 Cb 0.62 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.48 2k77 h VAL 39 CO -0.08 0.36 -0.19 0.03 -1.23 0.00 0.00 177.57 176.46 2k77 h ARG 40 N 0.00 0.00 0.05 5.19 2.47 -1.17 -3.01 114.38 117.91 2k77 h ARG 40 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2k77 h ARG 40 Cb 0.68 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.00 2k77 h ARG 40 CO 0.05 0.19 -0.03 1.49 0.56 0.00 0.00 179.97 182.23 2k77 h GLU 41 N 0.00 -0.07 0.00 0.04 4.22 -0.66 -3.48 114.58 114.63 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 0.56 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.83 2k77 h GLU 41 CO 0.02 0.48 0.00 0.41 -2.18 0.00 0.00 179.01 177.75 2k77 n GLY 42 N 1.26 2.10 0.01 1.92 0.00 -0.48 -4.73 105.19 105.26 2k77 n GLY 42 Ca -0.07 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.00 2.24 -1.26 1.61 4.07 -1.26 -4.36 120.64 119.68 2k77 n GLU 43 Ca 0.00 -0.01 -0.35 0.00 -0.06 0.00 0.00 57.16 56.74 2k77 n GLU 43 Cb 0.00 -1.10 0.11 0.00 -0.06 0.00 0.00 31.44 30.39 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2k77 n GLY 44 N 2.59 -0.17 0.28 8.31 0.00 -1.26 -4.67 105.19 110.27 2k77 n GLY 44 Ca -0.04 -0.40 0.04 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.51 0.72 -0.27 -0.61 1.08 -1.94 -0.00 117.51 115.98 2k77 h ILE 45 Ca -0.47 -0.17 -0.03 0.00 -0.39 0.00 0.00 64.86 63.79 2k77 h ILE 45 Cb 1.32 0.17 -0.01 0.00 -3.07 0.00 0.00 36.82 35.23 2k77 h ILE 45 CO 0.47 0.09 0.04 0.00 -0.69 0.00 0.00 178.15 178.06 2k77 h ALA 46 N 1.51 0.36 -0.38 1.87 0.00 -1.90 0.62 119.26 121.34 2k77 h ALA 46 Ca 0.40 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2k77 h ALA 46 Cb 0.55 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k77 h ALA 46 CO -0.36 0.05 -0.10 0.00 0.00 0.00 0.00 179.25 178.84 2k77 h ALA 47 N 0.86 1.12 -0.32 0.00 0.00 -1.64 -0.50 119.26 118.77 2k77 h ALA 47 Ca 0.08 -0.29 -0.11 0.00 0.00 0.00 0.00 54.91 54.59 2k77 h ALA 47 Cb 0.34 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 2k77 h ALA 47 CO 0.01 0.55 -0.26 -0.22 0.00 0.00 0.00 179.25 179.32 2k77 h LYS 48 N 0.60 0.65 -0.51 0.00 3.64 -0.93 -1.77 116.57 118.24 2k77 h LYS 48 Ca 0.11 -0.27 -0.07 0.00 -1.27 0.00 0.00 60.65 59.15 2k77 h LYS 48 Cb 0.53 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2k77 h LYS 48 CO 0.03 0.85 0.05 0.00 -2.27 0.00 0.00 179.45 178.11 2k77 h ALA 49 N 1.15 0.69 -0.16 5.00 0.00 -0.41 0.34 119.26 125.87 2k77 h ALA 49 Ca 0.07 -0.26 -0.00 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 49 Cb 0.75 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 49 CO 0.06 0.46 0.10 -0.07 0.00 0.00 0.00 179.25 179.79 2k77 h LEU 50 N 0.75 0.19 -1.05 0.00 3.38 -1.01 -1.84 115.31 115.72 2k77 h LEU 50 Ca 0.15 -0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 50 Cb 0.45 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.13 2k77 h LEU 50 CO 0.02 0.18 0.04 1.56 0.09 0.00 0.00 178.44 180.33 2k77 h GLN 51 N 0.18 0.72 -0.17 1.13 4.20 -1.25 -2.37 115.11 117.54 2k77 h GLN 51 Ca 0.06 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2k77 h GLN 51 Cb 0.02 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 27.69 2k77 h GLN 51 CO -0.01 0.70 -0.15 0.00 -0.67 0.00 0.00 178.83 178.70 2k77 h ALA 52 N 1.37 1.42 0.00 3.87 0.00 -0.73 -1.58 119.26 123.60 2k77 h ALA 52 Ca 0.14 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 52 Cb 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.06 2k77 h ALA 52 CO 0.01 0.40 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.24 0.00 0.00 0.00 4.77 -0.71 -4.87 117.00 111.95 2k77 n LEU 53 Ca -0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 53 Cb 0.30 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 2k77 n LEU 53 CO 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.29 0.72 2.33 -0.72 0.00 -0.60 -5.01 105.19 102.21 2k77 n GLY 54 Ca 0.04 0.00 -0.17 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 -3.61 0.99 4.77 -0.92 -5.00 117.00 113.23 2k77 n LEU 55 Ca 0.00 -1.00 -0.03 0.00 -0.03 0.00 0.00 56.01 54.95 2k77 n LEU 55 Cb 0.00 -0.54 -0.01 0.00 -2.33 0.00 0.00 43.42 40.53 2k77 n LEU 55 CO 0.00 -0.99 0.93 -0.83 -1.33 0.00 0.00 177.39 175.18 2k77 s GLY 56 N -4.53 -0.35 0.23 -0.72 0.00 -1.26 -4.33 107.32 96.36 2k77 s GLY 56 Ca 0.44 1.01 -0.08 0.00 0.00 0.00 0.00 44.72 46.09 2k77 s GLY 56 CO 0.30 0.30 1.87 0.23 0.00 0.00 0.00 173.10 175.80 2k77 h SER 57 N 2.00 0.87 -0.62 1.64 0.87 -1.99 -1.90 113.55 114.41 2k77 h SER 57 Ca -0.20 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.35 2k77 h SER 57 Cb 1.20 -0.19 -0.03 0.00 -0.44 0.00 0.00 62.40 62.94 2k77 h SER 57 CO 0.26 0.60 0.38 -0.08 -0.53 0.00 0.00 176.83 177.46 2k77 h GLU 58 N 1.02 0.84 -0.12 2.24 4.57 -1.97 0.80 114.58 121.96 2k77 h GLU 58 Ca 0.33 -0.07 -0.03 0.00 -1.18 0.00 0.00 59.36 58.40 2k77 h GLU 58 Cb 0.01 -0.18 -0.00 0.00 -0.16 0.00 0.00 28.75 28.42 2k77 h GLU 58 CO -0.11 0.60 -0.04 0.87 -1.18 0.00 0.00 179.01 179.15 2k77 h LYS 59 N 0.84 0.23 -0.36 1.92 1.57 -1.87 -1.87 116.57 117.04 2k77 h LYS 59 Ca 0.22 -0.09 -0.12 0.00 -1.87 0.00 0.00 60.65 58.79 2k77 h LYS 59 Cb -0.03 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2k77 h LYS 59 CO -0.04 0.55 -0.24 0.82 -0.57 0.00 0.00 179.45 179.97 2k77 h ILE 60 N -0.09 1.28 -0.35 1.86 2.04 -1.30 -2.50 117.51 118.44 2k77 h ILE 60 Ca 0.03 -1.39 -0.02 0.00 1.00 0.00 0.00 64.86 64.47 2k77 h ILE 60 Cb 0.47 1.38 -0.02 0.00 -0.74 0.00 0.00 36.82 37.92 2k77 h ILE 60 CO 0.01 0.46 0.12 -0.61 0.00 0.00 0.00 178.15 178.14 2k77 h GLN 61 N 0.60 0.54 -0.59 2.37 4.15 -0.85 -0.56 115.11 120.77 2k77 h GLN 61 Ca 0.07 -0.11 -0.07 0.00 0.77 0.00 0.00 58.65 59.32 2k77 h GLN 61 Cb 0.81 -0.08 -0.03 0.00 0.21 0.00 0.00 27.48 28.39 2k77 h GLN 61 CO 0.07 0.55 0.10 0.87 -1.93 0.00 0.00 178.83 178.49 2k77 h LYS 62 N 0.42 0.94 -0.42 1.69 1.57 -1.35 -0.07 116.57 119.35 2k77 h LYS 62 Ca 0.12 -0.22 -0.09 0.00 -1.87 0.00 0.00 60.65 58.58 2k77 h LYS 62 Cb 0.22 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 2k77 h LYS 62 CO -0.01 0.86 -0.09 0.93 -0.57 0.00 0.00 179.45 180.58 2k77 h GLU 63 N 0.89 0.80 0.54 3.15 4.39 -1.29 -1.46 114.58 121.59 2k77 h GLU 63 Ca 0.18 -0.30 -0.03 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 63 Cb 0.38 -0.05 0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2k77 h GLU 63 CO 0.01 0.92 -0.26 0.28 -1.16 0.00 0.00 179.01 178.80 2k77 h VAL 64 N 0.62 0.47 -0.29 3.13 2.07 -0.92 -2.82 116.25 118.52 2k77 h VAL 64 Ca 0.11 -0.03 -0.05 0.00 0.82 0.00 0.00 66.70 67.56 2k77 h VAL 64 Cb 0.61 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.85 2k77 h VAL 64 CO 0.04 0.00 -0.02 -0.33 0.02 0.00 0.00 177.57 177.29 2k77 h GLU 65 N -0.74 0.45 -0.23 1.57 5.08 -1.03 -1.20 114.58 118.48 2k77 h GLU 65 Ca -0.07 -0.09 -0.06 0.00 -1.00 0.00 0.00 59.36 58.13 2k77 h GLU 65 Cb 0.56 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 2k77 h GLU 65 CO 0.12 0.49 -0.12 1.03 -1.00 0.00 0.00 179.01 179.53 2k77 h SER 66 N 0.43 0.36 0.45 1.42 0.87 -1.27 -1.28 113.55 114.53 2k77 h SER 66 Ca 0.09 -0.08 -0.31 0.00 -1.23 0.00 0.00 61.79 60.27 2k77 h SER 66 Cb 0.31 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2k77 h SER 66 CO 0.01 0.52 -1.54 -0.07 -0.53 0.00 0.00 176.83 175.21 2k77 h LEU 67 N 0.36 0.37 0.00 2.23 3.38 -1.06 -3.41 115.31 117.17 2k77 h LEU 67 Ca 0.07 -0.53 -0.13 0.00 0.09 0.00 0.00 57.88 57.39 2k77 h LEU 67 Cb 0.43 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 2k77 h LEU 67 CO 0.02 1.44 -1.77 2.30 0.09 0.00 0.00 178.44 180.53 2k77 n ILE 68 N -3.44 0.47 -4.37 1.22 -5.35 -0.54 -5.11 119.36 102.24 2k77 n ILE 68 Ca -0.17 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.87 2k77 n ILE 68 Cb 1.04 -0.27 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 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 1.97 0.91 3.73 3.28 0.00 -0.49 -4.64 105.19 109.95 2k77 n GLY 69 Ca -0.12 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.67 2k77 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 70 N 0.00 4.31 0.00 1.61 3.52 -1.26 -4.94 118.95 122.19 2k77 s ARG 70 Ca 0.00 2.17 0.00 0.00 -0.13 0.00 0.00 55.73 57.77 2k77 s ARG 70 Cb 0.00 -3.18 0.00 0.00 -1.56 0.00 0.00 34.95 30.21 2k77 s ARG 70 CO 0.00 -0.39 0.00 0.41 -0.81 0.00 0.00 175.30 174.51 2k77 n GLY 71 N 2.78 -0.58 3.30 8.12 0.00 -0.11 -4.95 105.19 113.75 2k77 n GLY 71 Ca 0.09 -1.73 -0.39 0.00 0.00 0.00 0.00 46.02 43.99 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -0.78 2.34 -1.90 1.61 3.00 -1.14 -4.69 117.38 115.84 2k77 n GLN 72 Ca 0.00 -2.62 -0.41 0.00 -0.01 0.00 0.00 57.00 53.96 2k77 n GLN 72 Cb 0.00 -3.40 -0.01 0.00 0.00 0.00 0.00 30.24 26.84 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2k77 n GLU 73 N 7.60 3.67 -0.06 -1.09 2.13 -0.97 -2.43 120.64 129.49 2k77 n GLU 73 Ca 0.49 -3.01 -0.22 0.00 0.66 0.00 0.00 57.16 55.07 2k77 n GLU 73 Cb 0.44 -2.92 -0.13 0.00 0.27 0.00 0.00 31.44 29.10 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N 3.87 0.67 -0.69 5.31 2.81 -1.26 -5.06 117.12 122.76 2k77 n MET 74 Ca 0.56 0.35 0.00 0.00 -1.81 0.00 0.00 57.70 56.80 2k77 n MET 74 Cb 0.32 -1.68 0.00 0.00 -0.71 0.00 0.00 33.22 31.15 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 n SER 75 N -3.84 0.00 -4.26 7.83 2.88 -1.26 -5.16 113.62 109.81 2k77 n SER 75 Ca -0.36 -0.51 -0.15 0.00 -1.33 0.00 0.00 58.87 56.52 2k77 n SER 75 Cb 0.91 0.00 0.06 0.00 -0.75 0.00 0.00 64.21 64.42 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2k77 n GLN 76 N 0.00 0.64 -2.48 -1.46 6.02 -1.26 -4.73 117.38 114.11 2k77 n GLN 76 Ca 0.00 -2.40 -0.01 0.00 -0.01 0.00 0.00 57.00 54.59 2k77 n GLN 76 Cb 0.00 -0.22 -0.01 0.00 1.02 0.00 0.00 30.24 31.04 2k77 n GLN 76 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.06 178.46 2k77 n THR 77 N -2.03-10.40 -1.74 5.09 -1.04 -1.26 -5.00 114.28 97.90 2k77 n THR 77 Ca 0.13 1.64 -0.39 0.00 -2.04 0.00 0.00 64.05 63.39 2k77 n THR 77 Cb 0.46 -6.36 0.04 0.00 -1.82 0.00 0.00 70.33 62.65 2k77 n THR 77 CO 0.00 0.00 0.00 -0.38 -0.64 0.00 0.00 175.07 174.05 2k77 n ILE 78 N 0.69 3.78 -4.49 12.58 -0.00 -1.26 -4.92 119.36 125.75 2k77 n ILE 78 Ca -0.05 -0.50 -0.24 0.00 -0.00 0.00 0.00 62.75 61.96 2k77 n ILE 78 Cb 0.08 -1.64 -0.10 0.00 -0.00 0.00 0.00 39.64 37.97 2k77 n ILE 78 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.55 175.55 2k77 s HIS 79 N -1.29 2.21 -0.10 1.39 3.76 -1.07 -4.96 115.29 115.24 2k77 s HIS 79 Ca 0.71 -0.52 -0.16 0.00 -0.15 0.00 0.00 55.06 54.94 2k77 s HIS 79 Cb -0.42 -1.19 -0.05 0.00 1.11 0.00 0.00 32.58 32.03 2k77 s HIS 79 CO 0.49 0.52 0.39 0.71 -0.85 0.00 0.00 174.74 176.00 2k77 s TYR 80 N -2.72 3.55 0.87 1.40 1.51 -1.26 -0.69 117.35 120.00 2k77 s TYR 80 Ca 0.30 0.81 -0.11 0.00 -1.01 0.00 0.00 57.07 57.07 2k77 s TYR 80 Cb 0.01 -2.41 0.12 0.00 -0.11 0.00 0.00 41.96 39.57 2k77 s TYR 80 CO 0.14 0.31 1.11 0.95 -1.11 0.00 0.00 175.55 176.96 2k77 s THR 81 N 0.14 2.64 0.38 -0.71 -4.23 -0.57 -4.76 115.64 108.53 2k77 s THR 81 Ca 0.22 0.21 0.10 0.00 -1.18 0.00 0.00 61.69 61.04 2k77 s THR 81 Cb -0.15 -2.47 0.32 0.00 1.34 0.00 0.00 72.50 71.55 2k77 s THR 81 CO 0.09 -0.27 1.91 -0.65 -0.54 0.00 0.00 174.62 175.16 2k77 h PRO 82 N -1.58 0.61 -0.20 3.99 0.11 -1.99 0.20 132.00 133.15 2k77 h PRO 82 Ca -0.45 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.49 2k77 h PRO 82 Cb 1.26 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2k77 h PRO 82 CO 0.47 0.41 -0.41 0.00 -0.21 0.00 0.00 178.00 178.26 2k77 h ARG 83 N 0.63 0.64 -0.66 1.05 3.08 -1.93 -1.14 114.38 116.05 2k77 h ARG 83 Ca 0.38 -0.41 -0.08 0.00 0.07 0.00 0.00 59.98 59.94 2k77 h ARG 83 Cb 0.60 0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.68 2k77 h ARG 83 CO -0.15 1.03 0.11 0.00 -1.07 0.00 0.00 179.97 179.90 2k77 h ALA 84 N 0.60 0.95 -0.56 0.04 0.00 -1.69 0.01 119.26 118.61 2k77 h ALA 84 Ca 0.01 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 84 Cb 1.01 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 2k77 h ALA 84 CO 0.09 0.66 0.37 -0.22 0.00 0.00 0.00 179.25 180.15 2k77 h LYS 85 N 1.02 0.73 -0.46 0.00 3.64 -0.96 -0.10 116.57 120.42 2k77 h LYS 85 Ca 0.20 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.53 2k77 h LYS 85 Cb 0.43 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 2k77 h LYS 85 CO 0.01 0.48 0.26 -0.22 -2.27 0.00 0.00 179.45 177.71 2k77 h LYS 86 N 0.75 0.64 -0.40 1.90 3.64 -0.90 -1.34 116.57 120.85 2k77 h LYS 86 Ca 0.21 -0.07 0.04 0.00 -1.27 0.00 0.00 60.65 59.55 2k77 h LYS 86 Cb -0.07 -0.13 -0.04 0.00 -0.41 0.00 0.00 32.23 31.59 2k77 h LYS 86 CO -0.05 0.50 0.19 0.28 -2.27 0.00 0.00 179.45 178.10 2k77 h VAL 87 N 0.60 0.95 -0.47 2.00 2.07 -0.73 -0.37 116.25 120.31 2k77 h VAL 87 Ca 0.16 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 87 Cb 0.04 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.33 2k77 h VAL 87 CO -0.03 0.07 0.28 0.40 0.02 0.00 0.00 177.57 178.31 2k77 h ILE 88 N 0.39 1.15 -0.39 4.57 1.08 -0.72 0.14 117.51 123.73 2k77 h ILE 88 Ca 0.18 -0.35 -0.10 0.00 -0.39 0.00 0.00 64.86 64.19 2k77 h ILE 88 Cb 0.10 0.54 -0.02 0.00 -3.07 0.00 0.00 36.82 34.38 2k77 h ILE 88 CO -0.14 0.15 -0.18 -0.33 -0.69 0.00 0.00 178.15 176.97 2k77 h GLU 89 N 0.62 0.74 -0.37 2.37 5.08 -1.07 -2.14 114.58 119.80 2k77 h GLU 89 Ca 0.17 -0.27 -0.11 0.00 -1.00 0.00 0.00 59.36 58.14 2k77 h GLU 89 Cb 0.01 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k77 h GLU 89 CO -0.03 0.87 -0.21 -0.07 -1.00 0.00 0.00 179.01 178.57 2k77 h LEU 90 N 0.66 0.83 -0.93 1.33 3.38 -0.82 -2.71 115.31 117.05 2k77 h LEU 90 Ca 0.10 -0.41 0.04 0.00 0.09 0.00 0.00 57.88 57.69 2k77 h LEU 90 Cb 0.66 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.12 2k77 h LEU 90 CO 0.05 1.06 0.60 0.28 0.09 0.00 0.00 178.44 180.52 2k77 h SER 91 N 0.60 1.00 0.69 -0.43 0.02 -0.58 0.68 113.55 115.52 2k77 h SER 91 Ca 0.08 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.98 2k77 h SER 91 Cb 0.76 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.07 2k77 h SER 91 CO 0.06 0.68 -0.23 -0.03 -1.14 0.00 0.00 176.83 176.17 2k77 h MET 92 N 1.16 0.00 0.21 3.45 1.85 -1.37 -1.58 114.93 118.66 2k77 h MET 92 Ca 0.38 0.00 -0.32 0.00 -0.61 0.00 0.00 59.70 59.15 2k77 h MET 92 Cb 0.02 0.00 0.02 0.00 0.43 0.00 0.00 31.60 32.08 2k77 h MET 92 CO -0.13 0.23 -1.44 0.22 -0.40 0.00 0.00 176.91 175.40 2k77 h ASP 93 N 0.00 0.68 -0.89 1.39 3.58 -0.88 -3.14 116.42 117.17 2k77 h ASP 93 Ca -0.00 -0.76 -0.01 0.00 0.42 0.00 0.00 57.03 56.68 2k77 h ASP 93 Cb 0.64 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.42 2k77 h ASP 93 CO 0.03 1.60 0.53 -0.33 -2.88 0.00 0.00 179.24 178.18 2k77 h GLU 94 N 0.12 1.22 -0.95 0.28 4.39 -0.74 0.29 114.58 119.18 2k77 h GLU 94 Ca -0.23 -0.12 0.00 0.00 0.34 0.00 0.00 59.36 59.36 2k77 h GLU 94 Cb 2.10 -0.25 -0.05 0.00 -0.10 0.00 0.00 28.75 30.45 2k77 h GLU 94 CO 0.24 0.86 0.61 0.00 -1.16 0.00 0.00 179.01 179.56 2k77 h ALA 95 N 1.34 1.28 -0.12 3.43 0.00 -1.40 -2.04 119.26 121.75 2k77 h ALA 95 Ca 0.32 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 55.00 2k77 h ALA 95 Cb -0.03 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.36 2k77 h ALA 95 CO -0.06 0.65 -0.55 0.00 0.00 0.00 0.00 179.25 179.29 2k77 h ARG 96 N 1.30 0.37 -0.88 0.00 3.08 -1.33 -1.41 114.38 115.50 2k77 h ARG 96 Ca 0.35 -0.23 -0.01 0.00 0.07 0.00 0.00 59.98 60.16 2k77 h ARG 96 Cb -0.11 0.03 -0.04 0.00 0.08 0.00 0.00 29.97 29.92 2k77 h ARG 96 CO -0.07 0.82 0.53 0.87 -1.07 0.00 0.00 179.97 181.05 2k77 h LYS 97 N 0.28 1.20 0.00 0.04 1.57 -0.63 -2.41 116.57 116.64 2k77 h LYS 97 Ca 0.00 -0.11 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 97 Cb 1.05 -0.25 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2k77 h LYS 97 CO 0.09 0.85 0.00 1.28 -0.57 0.00 0.00 179.45 181.10 2k77 n LEU 98 N -4.40 0.00 -0.43 2.94 7.99 -0.80 -4.94 117.00 117.36 2k77 n LEU 98 Ca 0.09 0.49 -0.06 0.00 -0.01 0.00 0.00 56.01 56.52 2k77 n LEU 98 Cb 0.06 -0.49 -0.02 0.00 -0.11 0.00 0.00 43.42 42.86 2k77 n LEU 98 CO 0.38 -0.03 -0.05 0.61 -1.51 0.00 0.00 177.39 176.78 2k77 n GLY 99 N 1.29 0.81 3.80 -0.72 0.00 -0.83 -5.04 105.19 104.50 2k77 n GLY 99 Ca 0.07 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 45.03 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 -2.19 3.28 -2.01 1.61 3.76 -0.59 -4.98 115.29 114.16 2k77 s HIS 100 Ca 0.00 1.63 0.09 0.00 -0.15 0.00 0.00 55.06 56.63 2k77 s HIS 100 Cb 0.00 -2.95 0.27 0.00 1.11 0.00 0.00 32.58 31.01 2k77 s HIS 100 CO 0.00 -0.31 1.22 0.43 -0.85 0.00 0.00 174.74 175.22 2k77 n SER 101 N -0.49 1.36 -3.48 1.40 7.64 -1.26 -4.47 113.62 114.33 2k77 n SER 101 Ca 0.07 -1.97 -0.14 0.00 1.01 0.00 0.00 58.87 57.83 2k77 n SER 101 Cb 0.53 -0.16 -0.04 0.00 -1.01 0.00 0.00 64.21 63.52 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 -1.67 -0.56 -0.34 1.43 -0.85 -1.26 -4.70 117.35 109.40 2k77 s TYR 102 Ca 0.18 0.66 -0.25 0.00 -0.52 0.00 0.00 57.07 57.14 2k77 s TYR 102 Cb 0.09 0.49 0.01 0.00 0.38 0.00 0.00 41.96 42.93 2k77 s TYR 102 CO 0.13 -0.70 0.87 0.08 -1.52 0.00 0.00 175.55 174.41 2k77 s VAL 103 N -2.50 4.68 0.75 -3.49 1.01 0.26 -4.86 120.40 116.24 2k77 s VAL 103 Ca -0.04 1.22 -0.07 0.00 0.00 0.00 0.00 61.98 63.09 2k77 s VAL 103 Cb -0.01 -4.26 0.09 0.00 0.00 0.00 0.00 36.38 32.21 2k77 s VAL 103 CO -0.02 -0.40 1.06 -0.83 0.00 0.00 0.00 175.10 174.90 2k77 s GLY 104 N 1.74 1.71 0.28 4.51 0.00 -1.26 -1.26 107.32 113.04 2k77 s GLY 104 Ca 0.36 -1.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.00 2k77 s GLY 104 CO 0.15 -0.58 1.93 -0.91 0.00 0.00 0.00 173.10 173.70 2k77 h THR 105 N -0.75 1.17 -0.42 0.90 1.35 -1.93 -1.69 112.91 111.54 2k77 h THR 105 Ca -0.43 -0.40 0.09 0.00 -0.55 0.00 0.00 66.41 65.11 2k77 h THR 105 Cb 1.30 -0.10 -0.09 0.00 -1.73 0.00 0.00 68.15 67.53 2k77 h THR 105 CO 0.55 0.21 -0.20 1.05 -0.25 0.00 0.00 175.52 176.88 2k77 h GLU 106 N 1.17 -0.11 -0.05 4.72 9.09 -1.94 -1.97 114.58 125.49 2k77 h GLU 106 Ca 0.36 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.66 2k77 h GLU 106 Cb -0.01 0.03 -0.01 0.00 -1.65 0.00 0.00 28.75 27.10 2k77 h GLU 106 CO -0.11 -0.08 -0.51 0.45 0.05 0.00 0.00 179.01 178.82 2k77 h HIS 107 N -0.12 0.15 -0.19 2.06 3.86 -1.73 -1.25 115.15 117.93 2k77 h HIS 107 Ca 0.20 -0.05 0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 107 Cb 0.43 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 28.86 2k77 h HIS 107 CO -0.44 0.61 0.09 0.82 0.86 0.00 0.00 177.93 179.87 2k77 h ILE 108 N 0.10 1.00 -0.50 2.45 2.04 -0.97 -1.05 117.51 120.57 2k77 h ILE 108 Ca 0.00 -0.07 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2k77 h ILE 108 Cb 0.94 0.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2k77 h ILE 108 CO 0.07 0.04 0.15 0.25 0.00 0.00 0.00 178.15 178.66 2k77 h LEU 109 N 0.20 0.74 -1.72 1.44 5.85 -0.99 -1.46 115.31 119.38 2k77 h LEU 109 Ca 0.08 -0.21 0.05 0.00 0.84 0.00 0.00 57.88 58.63 2k77 h LEU 109 Cb 0.02 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 2k77 h LEU 109 CO -0.05 0.76 0.27 -0.07 -0.34 0.00 0.00 178.44 179.01 2k77 h LEU 110 N 0.68 0.31 -0.32 2.25 3.38 -1.08 -1.53 115.31 119.00 2k77 h LEU 110 Ca 0.16 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 110 Cb 0.29 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 110 CO -0.00 0.21 -0.09 1.23 0.09 0.00 0.00 178.44 179.88 2k77 h GLY 111 N 0.36 0.67 0.82 0.83 0.00 -0.71 -1.69 103.07 103.35 2k77 h GLY 111 Ca 0.17 -0.56 0.03 0.00 0.00 0.00 0.00 47.33 46.96 2k77 h GLY 111 CO -0.04 0.52 0.15 1.41 0.00 0.00 0.00 176.54 178.58 2k77 h LEU 112 N 0.39 0.21 -0.52 3.11 3.38 -0.34 -1.48 115.31 120.07 2k77 h LEU 112 Ca 0.08 0.02 -0.16 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 112 Cb 0.59 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 2k77 h LEU 112 CO 0.03 0.16 -0.73 0.16 0.09 0.00 0.00 178.44 178.16 2k77 h ILE 113 N 0.32 1.48 -0.04 1.22 3.07 -1.41 -3.12 117.51 119.03 2k77 h ILE 113 Ca 0.14 -2.37 -0.10 0.00 1.55 0.00 0.00 64.86 64.07 2k77 h ILE 113 Cb 0.06 2.28 -0.01 0.00 -0.27 0.00 0.00 36.82 38.88 2k77 h ILE 113 CO -0.11 0.69 -0.45 -0.09 -1.05 0.00 0.00 178.15 177.14 2k77 h ARG 114 N 0.07 0.09 -0.57 0.16 2.43 -1.08 -2.93 114.38 112.55 2k77 h ARG 114 Ca -0.02 -0.04 -0.09 0.00 -0.81 0.00 0.00 59.98 59.02 2k77 h ARG 114 Cb 1.28 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2k77 h ARG 114 CO 0.10 0.52 0.02 1.49 -1.51 0.00 0.00 179.97 180.59 2k77 h GLU 115 N 0.07 0.99 0.00 0.20 4.22 -1.28 -3.47 114.58 115.32 2k77 h GLU 115 Ca 0.00 -0.31 0.00 0.00 0.08 0.00 0.00 59.36 59.13 2k77 h GLU 115 Cb 0.83 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.98 2k77 h GLU 115 CO 0.06 0.98 0.00 0.41 -2.18 0.00 0.00 179.01 178.29 2k77 n GLY 116 N -0.43 0.16 0.00 1.92 0.00 -1.11 -4.68 105.19 101.05 2k77 n GLY 116 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.64 1.17 -0.92 1.61 2.13 -1.26 -4.87 120.64 117.87 2k77 n GLU 117 Ca 0.00 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.54 2k77 n GLU 117 Cb 0.25 -0.61 0.21 0.00 0.27 0.00 0.00 31.44 31.56 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 -1.34 1.56 0.36 8.31 0.00 -1.26 -4.84 107.32 110.10 2k77 s GLY 118 Ca 0.00 -0.26 0.06 0.00 0.00 0.00 0.00 44.72 44.52 2k77 s GLY 118 CO 0.00 0.39 1.95 -2.08 0.00 0.00 0.00 173.10 173.36 2k77 h VAL 119 N -2.20 1.00 -0.59 1.40 2.07 -1.98 -2.51 116.25 113.45 2k77 h VAL 119 Ca -0.57 -0.26 0.06 0.00 0.82 0.00 0.00 66.70 66.75 2k77 h VAL 119 Cb 1.33 0.19 -0.06 0.00 -1.52 0.00 0.00 31.29 31.23 2k77 h VAL 119 CO 0.55 0.14 0.29 0.00 0.02 0.00 0.00 177.57 178.56 2k77 h ALA 120 N 1.60 0.78 -0.30 1.67 0.00 -1.92 0.17 119.26 121.27 2k77 h ALA 120 Ca 0.33 0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.19 2k77 h ALA 120 Cb 0.30 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 2k77 h ALA 120 CO -0.11 -0.07 -0.15 0.00 0.00 0.00 0.00 179.25 178.92 2k77 h ALA 121 N 1.34 1.18 -0.15 0.00 0.00 -1.66 -2.70 119.26 117.28 2k77 h ALA 121 Ca 0.27 -0.29 -0.04 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 121 Cb 0.22 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 2k77 h ALA 121 CO -0.21 0.52 -0.04 0.00 0.00 0.00 0.00 179.25 179.52 2k77 h ARG 122 N 0.48 0.29 -0.27 0.00 3.08 -1.26 -2.82 114.38 113.88 2k77 h ARG 122 Ca 0.08 -0.12 0.05 0.00 0.07 0.00 0.00 59.98 60.07 2k77 h ARG 122 Cb 0.54 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2k77 h ARG 122 CO 0.03 0.59 -0.01 0.28 -1.07 0.00 0.00 179.97 179.79 2k77 h VAL 123 N -0.02 0.79 -0.64 2.04 2.07 -0.93 0.35 116.25 119.91 2k77 h VAL 123 Ca 0.04 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 2k77 h VAL 123 Cb 0.48 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2k77 h VAL 123 CO 0.02 0.01 0.37 -0.07 0.02 0.00 0.00 177.57 177.91 2k77 h LEU 124 N 0.07 0.79 -0.78 2.57 3.38 -1.53 -1.86 115.31 117.94 2k77 h LEU 124 Ca 0.13 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 124 Cb 0.18 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.71 2k77 h LEU 124 CO -0.23 0.64 -0.57 0.78 0.09 0.00 0.00 178.44 179.15 2k77 h ASN 125 N 0.87 0.13 -0.63 -0.43 2.35 -1.19 0.34 115.58 117.03 2k77 h ASN 125 Ca 0.23 -0.07 -0.09 0.00 -0.55 0.00 0.00 56.30 55.81 2k77 h ASN 125 Cb 0.01 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.32 2k77 h ASN 125 CO -0.04 0.67 0.04 0.78 -1.65 0.00 0.00 177.43 177.23 2k77 h ASN 126 N 0.09 1.06 0.42 5.81 2.35 -0.68 -3.18 115.58 121.45 2k77 h ASN 126 Ca -0.00 -0.29 -0.19 0.00 -0.55 0.00 0.00 56.30 55.27 2k77 h ASN 126 Cb 1.03 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 39.11 2k77 h ASN 126 CO 0.08 1.09 -0.80 -0.07 -1.65 0.00 0.00 177.43 176.08 2k77 h LEU 127 N 0.99 0.35 0.00 1.61 3.38 -1.15 -3.48 115.31 117.02 2k77 h LEU 127 Ca 0.18 -0.26 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 127 Cb 0.52 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.17 2k77 h LEU 127 CO 0.03 1.01 0.00 0.61 0.09 0.00 0.00 178.44 180.18 2k77 n GLY 128 N 0.69 -0.09 3.77 0.83 0.00 -0.30 -5.10 105.19 104.98 2k77 n GLY 128 Ca -0.04 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -0.87 4.87 0.42 1.61 1.01 -0.04 -4.94 120.40 122.45 2k77 s VAL 129 Ca 0.00 1.28 0.08 0.00 0.00 0.00 0.00 61.98 63.33 2k77 s VAL 129 Cb 0.00 -3.94 -0.01 0.00 0.00 0.00 0.00 36.38 32.42 2k77 s VAL 129 CO 0.00 0.43 0.42 -0.94 0.00 0.00 0.00 175.10 175.01 2k77 s SER 130 N -0.29 5.15 0.21 3.32 1.04 -1.26 -2.87 113.70 119.00 2k77 s SER 130 Ca 0.31 -0.70 -0.10 0.00 0.48 0.00 0.00 55.95 55.95 2k77 s SER 130 Cb -0.19 -0.57 0.31 0.00 0.10 0.00 0.00 66.02 65.68 2k77 s SER 130 CO 0.18 -0.68 1.69 0.25 0.98 0.00 0.00 173.24 175.66 2k77 h LEU 131 N 0.95 -0.06 -0.06 2.42 6.46 -1.97 -1.02 115.31 122.03 2k77 h LEU 131 Ca -0.41 0.12 -0.25 0.00 -0.12 0.00 0.00 57.88 57.22 2k77 h LEU 131 Cb 1.27 0.18 0.02 0.00 -0.73 0.00 0.00 40.66 41.40 2k77 h LEU 131 CO 0.55 -0.02 -0.99 0.78 -0.62 0.00 0.00 178.44 178.14 2k77 h ASN 132 N 0.23 0.84 -0.55 1.25 2.35 -1.98 -1.82 115.58 115.89 2k77 h ASN 132 Ca 0.32 -0.65 -0.11 0.00 -0.55 0.00 0.00 56.30 55.31 2k77 h ASN 132 Cb 0.50 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.60 2k77 h ASN 132 CO -0.44 1.45 -0.10 0.50 -1.65 0.00 0.00 177.43 177.20 2k77 h LYS 133 N 0.38 1.05 -0.22 0.81 3.64 -1.89 -0.79 116.57 119.54 2k77 h LYS 133 Ca -0.11 -0.38 -0.04 0.00 -1.27 0.00 0.00 60.65 58.85 2k77 h LYS 133 Cb 1.63 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.38 2k77 h LYS 133 CO 0.19 1.08 -0.00 0.00 -2.27 0.00 0.00 179.45 178.45 2k77 h ALA 134 N 0.93 0.30 -0.19 5.00 0.00 -1.28 -3.12 119.26 120.90 2k77 h ALA 134 Ca 0.14 -0.21 0.04 0.00 0.00 0.00 0.00 54.91 54.88 2k77 h ALA 134 Cb 0.67 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 134 CO 0.05 0.02 -0.06 0.00 0.00 0.00 0.00 179.25 179.27 2k77 h ARG 135 N 0.16 -0.01 -0.69 0.00 3.08 -1.02 -0.52 114.38 115.38 2k77 h ARG 135 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2k77 h ARG 135 Cb 0.40 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.42 2k77 h ARG 135 CO 0.01 -0.01 0.31 1.96 -1.07 0.00 0.00 179.97 181.17 2k77 h GLN 136 N -0.01 0.99 -0.13 0.04 4.20 -1.23 0.81 115.11 119.79 2k77 h GLN 136 Ca 0.09 -0.15 -0.18 0.00 0.06 0.00 0.00 58.65 58.48 2k77 h GLN 136 Cb 0.15 -0.18 0.01 0.00 0.30 0.00 0.00 27.48 27.76 2k77 h GLN 136 CO -0.20 0.78 -0.61 1.96 -0.67 0.00 0.00 178.83 180.09 2k77 h GLN 137 N 0.98 0.64 -0.33 1.46 1.08 -1.43 -2.23 115.11 115.28 2k77 h GLN 137 Ca 0.24 -0.52 -0.06 0.00 -1.45 0.00 0.00 58.65 56.86 2k77 h GLN 137 Cb 0.14 0.11 -0.01 0.00 -0.05 0.00 0.00 27.48 27.66 2k77 h GLN 137 CO -0.03 1.14 -0.03 0.28 -0.95 0.00 0.00 178.83 179.24 2k77 h VAL 138 N 0.29 1.27 0.00 -0.54 2.07 -0.87 -0.04 116.25 118.43 2k77 h VAL 138 Ca -0.04 -1.03 -0.05 0.00 0.82 0.00 0.00 66.70 66.40 2k77 h VAL 138 Cb 1.25 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 32.28 2k77 h VAL 138 CO 0.13 0.34 -0.23 -0.07 0.02 0.00 0.00 177.57 177.75 2k77 h LEU 139 N 0.40 0.00 0.03 2.57 3.38 -0.93 -2.07 115.31 118.69 2k77 h LEU 139 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 139 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 139 CO 0.02 0.23 -0.02 1.56 0.09 0.00 0.00 178.44 180.33 2k77 h GLN 140 N 0.00 -0.04 0.00 1.13 4.20 -1.28 -3.40 115.11 115.72 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 0.65 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.43 2k77 h GLN 140 CO 0.03 0.64 0.00 1.25 -0.67 0.00 0.00 178.83 180.08 2k77 h LEU 141 N -0.89 0.00 0.00 1.46 5.85 -0.81 0.48 115.31 121.40 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 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k77 h LEU 141 CO 0.01 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.11 2k77 n LEU 142 N -2.76 0.00 0.00 2.25 -0.00 -0.80 -4.67 117.00 111.02 2k77 n LEU 142 Ca 0.02 0.28 0.00 0.00 -0.00 0.00 0.00 56.01 56.31 2k77 n LEU 142 Cb 0.34 -0.28 0.00 0.00 -0.00 0.00 0.00 43.42 43.49 2k77 n LEU 142 CO 0.27 -0.19 0.00 0.61 -0.00 0.00 0.00 177.39 178.08 2k77 n GLY 143 N -0.44 -0.68 0.01 1.47 0.00 -1.15 -5.06 105.19 99.33 2k77 n GLY 143 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 0.76 0.00 1.61 7.64 0.03 -5.13 113.62 118.54 2k77 n SER 144 Ca 0.00 -0.31 0.00 0.00 1.01 0.00 0.00 58.87 59.57 2k77 n SER 144 Cb 0.00 1.57 0.00 0.00 -1.01 0.00 0.00 64.21 64.77 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83