#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 n MET 2 N 0.00 -1.83 -2.06 2.12 3.85 -1.26 -4.95 117.12 112.99 2k77 n MET 2 Ca 0.00 1.33 -0.30 0.00 -1.00 0.00 0.00 57.70 57.73 2k77 n MET 2 Cb 0.00 -2.35 0.02 0.00 -1.05 0.00 0.00 33.22 29.85 2k77 n MET 2 CO 0.00 0.00 0.00 -0.59 0.00 0.00 0.00 175.97 175.38 2k77 s PHE 3 N -2.75 3.46 -0.04 3.17 -0.12 -1.26 -5.03 117.98 115.42 2k77 s PHE 3 Ca 0.00 1.05 0.06 0.00 -0.05 0.00 0.00 56.93 57.98 2k77 s PHE 3 Cb 0.00 -2.78 0.08 0.00 -0.63 0.00 0.00 43.02 39.69 2k77 s PHE 3 CO 0.00 -0.81 0.99 0.41 -0.05 0.00 0.00 175.22 175.76 2k77 n GLY 4 N -2.74 1.54 3.86 1.99 0.00 -1.26 -5.02 105.19 103.56 2k77 n GLY 4 Ca 0.05 -0.33 -0.32 0.00 0.00 0.00 0.00 46.02 45.42 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 -0.90 3.90 0.17 1.61 1.81 -1.26 -5.00 118.95 119.27 2k77 s ARG 5 Ca 0.09 0.45 0.11 0.00 -1.72 0.00 0.00 55.73 54.66 2k77 s ARG 5 Cb 0.08 -2.59 -0.04 0.00 -0.45 0.00 0.00 34.95 31.95 2k77 s ARG 5 CO 0.01 0.27 -0.24 -0.06 -0.68 0.00 0.00 175.30 174.60 2k77 s PHE 6 N -1.85 2.20 0.90 -0.53 0.40 -1.26 -0.93 117.98 116.91 2k77 s PHE 6 Ca 0.49 -0.38 -0.11 0.00 -0.60 0.00 0.00 56.93 56.33 2k77 s PHE 6 Cb -0.11 -1.12 0.13 0.00 0.51 0.00 0.00 43.02 42.42 2k77 s PHE 6 CO 0.20 0.42 1.09 0.95 0.70 0.00 0.00 175.22 178.58 2k77 s THR 7 N -1.53 2.65 0.28 0.64 -4.23 -0.19 -4.80 115.64 108.47 2k77 s THR 7 Ca 0.17 0.21 -0.04 0.00 -1.18 0.00 0.00 61.69 60.86 2k77 s THR 7 Cb -0.08 -2.67 0.26 0.00 1.34 0.00 0.00 72.50 71.35 2k77 s THR 7 CO 0.08 -0.28 1.95 -0.08 -0.54 0.00 0.00 174.62 175.75 2k77 h GLU 8 N -1.57 1.18 -0.45 3.99 4.81 -1.99 -0.27 114.58 120.29 2k77 h GLU 8 Ca -0.49 -0.08 -0.07 0.00 -0.13 0.00 0.00 59.36 58.59 2k77 h GLU 8 Cb 1.28 -0.26 -0.02 0.00 0.63 0.00 0.00 28.75 30.38 2k77 h GLU 8 CO 0.54 0.79 0.01 0.00 -0.73 0.00 0.00 179.01 179.62 2k77 h ARG 9 N 1.22 0.78 -0.34 1.92 2.47 -1.95 -1.73 114.38 116.76 2k77 h ARG 9 Ca 0.33 -0.25 -0.12 0.00 -1.26 0.00 0.00 59.98 58.68 2k77 h ARG 9 Cb -0.13 -0.07 -0.01 0.00 -1.65 0.00 0.00 29.97 28.11 2k77 h ARG 9 CO -0.07 0.84 -0.24 0.00 0.56 0.00 0.00 179.97 181.06 2k77 h ALA 10 N 0.91 0.48 -0.22 0.04 0.00 -1.78 -2.01 119.26 116.69 2k77 h ALA 10 Ca 0.13 -0.38 -0.03 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 10 Cb 0.48 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2k77 h ALA 10 CO 0.02 0.47 0.00 1.96 0.00 0.00 0.00 179.25 181.70 2k77 h GLN 11 N 0.54 0.31 -0.44 0.00 4.20 -1.04 -1.96 115.11 116.71 2k77 h GLN 11 Ca 0.07 -0.05 -0.12 0.00 0.06 0.00 0.00 58.65 58.61 2k77 h GLN 11 Cb 0.80 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.52 2k77 h GLN 11 CO 0.07 0.34 -0.20 -0.22 -0.67 0.00 0.00 178.83 178.15 2k77 h LYS 12 N 0.31 0.92 -0.37 1.46 3.64 -1.03 -0.23 116.57 121.26 2k77 h LYS 12 Ca 0.07 -0.39 -0.04 0.00 -1.27 0.00 0.00 60.65 59.02 2k77 h LYS 12 Cb 0.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2k77 h LYS 12 CO 0.00 1.05 0.05 -0.39 -2.27 0.00 0.00 179.45 177.89 2k77 h VAL 13 N 0.75 1.19 -0.06 2.00 -1.51 -0.82 0.05 116.25 117.85 2k77 h VAL 13 Ca 0.10 -0.71 -0.19 0.00 -1.23 0.00 0.00 66.70 64.67 2k77 h VAL 13 Cb 0.76 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.77 2k77 h VAL 13 CO 0.06 0.25 -0.75 -0.07 -1.23 0.00 0.00 177.57 175.83 2k77 h LEU 14 N 0.55 0.44 -0.96 4.19 3.38 -1.26 0.13 115.31 121.77 2k77 h LEU 14 Ca 0.12 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.71 2k77 h LEU 14 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k77 h LEU 14 CO 0.00 1.04 -0.21 0.00 0.09 0.00 0.00 178.44 179.36 2k77 h ALA 15 N 0.95 1.13 -0.38 1.53 0.00 -0.70 -1.77 119.26 120.02 2k77 h ALA 15 Ca -0.03 -0.32 -0.16 0.00 0.00 0.00 0.00 54.91 54.39 2k77 h ALA 15 Cb 1.33 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 2k77 h ALA 15 CO 0.13 0.55 -0.41 -0.07 0.00 0.00 0.00 179.25 179.45 2k77 h LEU 16 N 0.46 1.00 -1.51 0.00 3.38 -0.89 -2.89 115.31 114.85 2k77 h LEU 16 Ca 0.07 -0.47 0.02 0.00 0.09 0.00 0.00 57.88 57.60 2k77 h LEU 16 Cb 0.62 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 41.06 2k77 h LEU 16 CO 0.04 1.27 0.35 0.00 0.09 0.00 0.00 178.44 180.20 2k77 h ALA 17 N 0.77 1.70 -0.57 1.53 0.00 -0.72 0.79 119.26 122.76 2k77 h ALA 17 Ca 0.06 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2k77 h ALA 17 Cb 1.00 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 2k77 h ALA 17 CO 0.10 0.25 0.29 0.37 0.00 0.00 0.00 179.25 180.26 2k77 h GLN 18 N 0.65 0.81 -0.20 0.00 4.15 -1.28 -0.95 115.11 118.29 2k77 h GLN 18 Ca 0.21 -0.11 -0.12 0.00 0.77 0.00 0.00 58.65 59.40 2k77 h GLN 18 Cb 0.04 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.57 2k77 h GLN 18 CO -0.05 0.65 -0.37 1.49 -1.93 0.00 0.00 178.83 178.62 2k77 h GLU 19 N 0.77 0.44 -0.20 1.69 4.81 -1.00 -1.43 114.58 119.66 2k77 h GLU 19 Ca 0.20 -0.21 -0.01 0.00 -0.13 0.00 0.00 59.36 59.22 2k77 h GLU 19 Cb 0.09 -0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 2k77 h GLU 19 CO -0.03 0.75 0.11 0.93 -0.73 0.00 0.00 179.01 180.04 2k77 h GLU 20 N 0.37 0.29 -0.52 1.92 4.39 -0.71 0.37 114.58 120.68 2k77 h GLU 20 Ca 0.04 -0.04 -0.02 0.00 0.34 0.00 0.00 59.36 59.68 2k77 h GLU 20 Cb 0.82 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 29.39 2k77 h GLU 20 CO 0.07 0.28 0.23 0.00 -1.16 0.00 0.00 179.01 178.43 2k77 h ALA 21 N 0.99 1.42 -0.05 3.43 0.00 -0.97 -0.35 119.26 123.73 2k77 h ALA 21 Ca 0.07 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 21 Cb 0.09 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k77 h ALA 21 CO -0.01 0.45 -0.23 -0.07 0.00 0.00 0.00 179.25 179.39 2k77 h LEU 22 N 0.74 0.28 -0.50 0.00 3.38 -1.20 -0.89 115.31 117.13 2k77 h LEU 22 Ca 0.18 -0.66 -0.16 0.00 0.09 0.00 0.00 57.88 57.34 2k77 h LEU 22 Cb 0.12 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 2k77 h LEU 22 CO -0.02 0.90 -0.45 0.03 0.09 0.00 0.00 178.44 178.98 2k77 h ARG 23 N -0.31 0.73 0.00 1.13 3.08 -0.70 -2.68 114.38 115.62 2k77 h ARG 23 Ca -0.02 -0.41 0.00 0.00 0.07 0.00 0.00 59.98 59.63 2k77 h ARG 23 Cb 0.89 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.96 2k77 h ARG 23 CO 0.05 1.03 0.00 1.28 -1.07 0.00 0.00 179.97 181.25 2k77 n LEU 24 N -4.02 0.01 -1.20 3.04 4.77 -0.16 -4.96 117.00 114.49 2k77 n LEU 24 Ca -0.03 0.50 -0.07 0.00 -0.03 0.00 0.00 56.01 56.38 2k77 n LEU 24 Cb 0.56 -0.50 0.01 0.00 -2.33 0.00 0.00 43.42 41.17 2k77 n LEU 24 CO 0.47 -0.03 0.01 0.61 -1.33 0.00 0.00 177.39 177.12 2k77 n GLY 25 N 1.33 0.31 0.05 -0.72 0.00 -1.01 -1.24 105.19 103.91 2k77 n GLY 25 Ca 0.07 -0.47 0.11 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.60 0.38 -0.70 1.61 8.25 -0.38 -1.73 115.22 119.05 2k77 n HIS 26 Ca -0.03 0.11 -0.00 0.00 -0.26 0.00 0.00 57.72 57.54 2k77 n HIS 26 Cb 0.54 -0.63 -0.00 0.00 1.12 0.00 0.00 29.99 31.02 2k77 n HIS 26 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 2k77 n ASN 27 N -2.32 -4.21 -3.79 0.41 4.13 -0.95 -4.64 115.26 103.89 2k77 n ASN 27 Ca -0.01 0.00 -0.13 0.00 1.68 0.00 0.00 54.58 56.12 2k77 n ASN 27 Cb 0.53 -2.61 -0.10 0.00 -1.54 0.00 0.00 39.78 36.06 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 0.28 0.00 0.00 177.26 177.74 2k77 s ASN 28 N -1.41 -0.19 -0.23 6.41 0.01 -1.26 -3.62 114.94 114.65 2k77 s ASN 28 Ca 0.00 0.23 -0.20 0.00 -0.71 0.00 0.00 52.86 52.18 2k77 s ASN 28 Cb 0.00 0.40 -0.02 0.00 0.41 0.00 0.00 41.25 42.04 2k77 s ASN 28 CO 0.00 -0.29 0.60 -0.63 -1.51 0.00 0.00 177.10 175.27 2k77 s ILE 29 N -0.74 5.02 0.46 0.60 1.01 0.26 -4.74 121.20 123.08 2k77 s ILE 29 Ca -0.08 1.10 0.08 0.00 0.00 0.00 0.00 60.65 61.75 2k77 s ILE 29 Cb -0.04 -3.92 0.03 0.00 0.01 0.00 0.00 42.46 38.54 2k77 s ILE 29 CO 0.02 0.08 0.62 -0.83 0.00 0.00 0.00 174.94 174.83 2k77 s GLY 30 N 1.35 1.91 0.33 6.18 0.00 -1.26 -1.09 107.32 114.73 2k77 s GLY 30 Ca 0.26 -1.80 0.08 0.00 0.00 0.00 0.00 44.72 43.26 2k77 s GLY 30 CO 0.09 -1.56 1.79 -0.91 0.00 0.00 0.00 173.10 172.51 2k77 h THR 31 N 0.54 0.70 -0.56 0.90 1.35 -1.92 -1.12 112.91 112.81 2k77 h THR 31 Ca -0.37 -0.24 0.10 0.00 -0.55 0.00 0.00 66.41 65.34 2k77 h THR 31 Cb 1.28 -0.06 -0.08 0.00 -1.73 0.00 0.00 68.15 67.57 2k77 h THR 31 CO 0.45 0.13 0.14 1.05 -0.25 0.00 0.00 175.52 177.03 2k77 h GLU 32 N 0.70 0.27 -0.01 4.72 9.09 -1.94 -0.26 114.58 127.15 2k77 h GLU 32 Ca 0.56 -0.02 -0.16 0.00 0.05 0.00 0.00 59.36 59.79 2k77 h GLU 32 Cb 0.95 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.97 2k77 h GLU 32 CO -0.34 0.18 -0.73 0.45 0.05 0.00 0.00 179.01 178.63 2k77 h HIS 33 N 0.28 0.13 -0.30 2.06 3.86 -1.59 -0.35 115.15 119.24 2k77 h HIS 33 Ca 0.28 -0.06 -0.08 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 33 Cb 0.39 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.83 2k77 h HIS 33 CO -0.22 0.79 -0.13 0.82 0.86 0.00 0.00 177.93 180.04 2k77 h ILE 34 N 0.06 1.29 -0.60 2.45 2.04 -1.12 0.77 117.51 122.40 2k77 h ILE 34 Ca -0.02 -1.22 -0.04 0.00 1.00 0.00 0.00 64.86 64.58 2k77 h ILE 34 Cb 1.28 1.44 -0.03 0.00 -0.74 0.00 0.00 36.82 38.78 2k77 h ILE 34 CO 0.10 0.39 0.21 0.25 0.00 0.00 0.00 178.15 179.10 2k77 h LEU 35 N 0.38 0.86 -0.81 1.44 5.85 -0.96 -0.69 115.31 121.38 2k77 h LEU 35 Ca 0.07 -0.19 -0.11 0.00 0.84 0.00 0.00 57.88 58.49 2k77 h LEU 35 Cb 0.65 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 41.44 2k77 h LEU 35 CO 0.04 0.82 -0.26 0.25 -0.34 0.00 0.00 178.44 178.95 2k77 h LEU 36 N 0.85 0.60 -0.93 2.25 5.85 -1.03 -2.47 115.31 120.43 2k77 h LEU 36 Ca 0.20 -0.22 -0.06 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 36 Cb 0.25 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2k77 h LEU 36 CO -0.01 0.85 0.07 1.23 -0.34 0.00 0.00 178.44 180.24 2k77 h GLY 37 N 1.01 0.92 0.75 3.75 0.00 -0.63 -0.49 103.07 108.39 2k77 h GLY 37 Ca 0.07 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.82 2k77 h GLY 37 CO 0.06 0.54 -0.23 1.41 0.00 0.00 0.00 176.54 178.32 2k77 h LEU 38 N 0.81 -0.60 -1.15 3.11 3.38 -0.85 -1.86 115.31 118.15 2k77 h LEU 38 Ca 0.17 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.16 2k77 h LEU 38 Cb 0.38 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 2k77 h LEU 38 CO 0.01 -0.33 -0.17 -0.37 0.09 0.00 0.00 178.44 177.67 2k77 h VAL 39 N -0.49 0.41 -0.19 1.22 -1.51 -1.36 -0.89 116.25 113.44 2k77 h VAL 39 Ca -0.01 -0.98 -0.08 0.00 -1.23 0.00 0.00 66.70 64.40 2k77 h VAL 39 Cb 0.45 1.72 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 2k77 h VAL 39 CO -0.04 0.16 -0.24 -0.09 -1.23 0.00 0.00 177.57 176.13 2k77 h ARG 40 N 0.00 0.35 0.06 5.19 9.65 -0.92 -3.08 114.38 125.63 2k77 h ARG 40 Ca -0.00 -0.12 -0.00 0.00 -1.10 0.00 0.00 59.98 58.76 2k77 h ARG 40 Cb 0.71 -0.03 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 2k77 h ARG 40 CO 0.02 0.57 -0.03 1.49 2.80 0.00 0.00 179.97 184.82 2k77 h GLU 41 N 0.31 -0.08 0.00 0.20 4.22 -0.87 -3.48 114.58 114.89 2k77 h GLU 41 Ca 0.05 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.50 2k77 h GLU 41 Cb 0.59 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.86 2k77 h GLU 41 CO 0.04 0.45 0.00 0.41 -2.18 0.00 0.00 179.01 177.73 2k77 n GLY 42 N 0.49 2.05 0.00 1.92 0.00 -0.38 -4.71 105.19 104.57 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 -2.00 3.27 -1.33 1.61 -0.58 -1.26 -4.41 120.64 115.93 2k77 n GLU 43 Ca 0.00 0.00 -0.34 0.00 -0.42 0.00 0.00 57.16 56.40 2k77 n GLU 43 Cb 0.00 -0.59 0.10 0.00 -0.57 0.00 0.00 31.44 30.38 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k77 s GLY 44 N -1.01 2.33 0.26 0.62 0.00 -1.26 -4.65 107.32 103.62 2k77 s GLY 44 Ca 0.00 0.91 -0.01 0.00 0.00 0.00 0.00 44.72 45.62 2k77 s GLY 44 CO 0.00 1.32 1.73 -2.22 0.00 0.00 0.00 173.10 173.94 2k77 h ILE 45 N -0.46 0.64 -0.20 0.90 1.08 -1.94 0.15 117.51 117.69 2k77 h ILE 45 Ca -0.47 -0.17 -0.02 0.00 -0.39 0.00 0.00 64.86 63.80 2k77 h ILE 45 Cb 1.30 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.13 2k77 h ILE 45 CO 0.49 0.09 0.03 0.00 -0.69 0.00 0.00 178.15 178.07 2k77 h ALA 46 N 1.59 0.26 -0.38 1.87 0.00 -1.90 0.29 119.26 120.99 2k77 h ALA 46 Ca 0.47 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 2k77 h ALA 46 Cb 0.74 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.43 2k77 h ALA 46 CO -0.42 -0.07 -0.00 0.00 0.00 0.00 0.00 179.25 178.76 2k77 h ALA 47 N 0.84 1.28 -0.30 0.00 0.00 -1.56 -0.63 119.26 118.89 2k77 h ALA 47 Ca 0.06 -0.22 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 47 Cb 0.31 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 47 CO 0.00 0.48 -0.28 -0.22 0.00 0.00 0.00 179.25 179.24 2k77 h LYS 48 N 0.58 0.60 -0.47 0.00 1.63 -0.90 -1.86 116.57 116.15 2k77 h LYS 48 Ca 0.12 -0.25 -0.12 0.00 -0.85 0.00 0.00 60.65 59.55 2k77 h LYS 48 Cb 0.37 -0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.96 2k77 h LYS 48 CO 0.01 0.82 -0.19 0.00 -3.45 0.00 0.00 179.45 176.64 2k77 h ALA 49 N 1.18 0.66 -0.26 5.00 0.00 -0.42 0.12 119.26 125.53 2k77 h ALA 49 Ca 0.07 -0.38 0.01 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 49 Cb 0.75 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.36 2k77 h ALA 49 CO 0.06 0.63 0.15 -0.07 0.00 0.00 0.00 179.25 180.02 2k77 h LEU 50 N 0.82 0.24 -1.05 0.00 3.38 -1.02 -2.01 115.31 115.67 2k77 h LEU 50 Ca 0.11 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 50 Cb 0.76 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2k77 h LEU 50 CO 0.06 0.18 -0.22 1.56 0.09 0.00 0.00 178.44 180.11 2k77 h GLN 51 N 0.31 0.41 -0.23 1.13 4.20 -1.26 -2.26 115.11 117.41 2k77 h GLN 51 Ca 0.10 -0.14 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2k77 h GLN 51 Cb -0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2k77 h GLN 51 CO -0.05 0.61 -0.06 0.00 -0.67 0.00 0.00 178.83 178.66 2k77 h ALA 52 N 1.40 1.48 0.00 3.87 0.00 -0.71 -1.56 119.26 123.73 2k77 h ALA 52 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.78 2k77 h ALA 52 Cb 0.60 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2k77 h ALA 52 CO 0.04 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.29 0.00 0.00 0.00 4.77 -0.78 -4.88 117.00 111.82 2k77 n LEU 53 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 53 Cb 0.25 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.34 2k77 n LEU 53 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.39 0.73 2.64 -0.72 0.00 -0.59 -5.00 105.19 102.64 2k77 n GLY 54 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 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 -3.60 0.99 4.77 -0.88 -4.99 117.00 113.29 2k77 n LEU 55 Ca 0.00 -1.00 -0.06 0.00 -0.03 0.00 0.00 56.01 54.93 2k77 n LEU 55 Cb 0.00 -0.70 -0.02 0.00 -2.33 0.00 0.00 43.42 40.38 2k77 n LEU 55 CO 0.00 -1.16 0.76 -0.83 -1.33 0.00 0.00 177.39 174.83 2k77 s GLY 56 N -4.97 -0.37 0.18 -0.72 0.00 -1.26 -4.31 107.32 95.87 2k77 s GLY 56 Ca 0.52 0.78 -0.13 0.00 0.00 0.00 0.00 44.72 45.89 2k77 s GLY 56 CO 0.36 0.24 1.85 1.48 0.00 0.00 0.00 173.10 177.03 2k77 h SER 57 N 2.00 0.65 -0.63 1.64 4.64 -1.98 -1.53 113.55 118.34 2k77 h SER 57 Ca -0.22 -0.01 -0.07 0.00 -0.47 0.00 0.00 61.79 61.02 2k77 h SER 57 Cb 1.23 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 63.13 2k77 h SER 57 CO 0.28 0.47 0.11 -0.08 -0.87 0.00 0.00 176.83 176.74 2k77 h GLU 58 N 0.78 1.04 -0.17 4.77 4.81 -1.97 -0.16 114.58 123.67 2k77 h GLU 58 Ca 0.22 -0.27 -0.01 0.00 -0.13 0.00 0.00 59.36 59.17 2k77 h GLU 58 Cb -0.07 -0.12 -0.01 0.00 0.63 0.00 0.00 28.75 29.18 2k77 h GLU 58 CO -0.06 0.96 0.07 0.87 -0.73 0.00 0.00 179.01 180.12 2k77 h LYS 59 N 0.95 0.24 -0.21 1.92 1.57 -1.87 -1.00 116.57 118.17 2k77 h LYS 59 Ca 0.19 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 2k77 h LYS 59 Cb 0.42 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.68 2k77 h LYS 59 CO 0.01 0.31 -0.15 0.82 -0.57 0.00 0.00 179.45 179.87 2k77 h ILE 60 N 0.12 1.32 -0.75 1.86 2.04 -1.27 -2.97 117.51 117.86 2k77 h ILE 60 Ca 0.06 -1.27 0.02 0.00 1.00 0.00 0.00 64.86 64.67 2k77 h ILE 60 Cb 0.15 1.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.87 2k77 h ILE 60 CO -0.01 0.39 0.49 -0.61 0.00 0.00 0.00 178.15 178.41 2k77 h GLN 61 N 0.17 0.93 -0.19 2.37 4.15 -0.97 0.02 115.11 121.60 2k77 h GLN 61 Ca 0.04 -0.06 0.01 0.00 0.77 0.00 0.00 58.65 59.42 2k77 h GLN 61 Cb 0.68 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 28.14 2k77 h GLN 61 CO 0.04 0.62 0.10 -0.22 -1.93 0.00 0.00 178.83 177.44 2k77 h LYS 62 N 0.96 0.21 -0.01 1.69 3.64 -1.18 -0.82 116.57 121.06 2k77 h LYS 62 Ca 0.29 -0.01 -0.17 0.00 -1.27 0.00 0.00 60.65 59.49 2k77 h LYS 62 Cb -0.03 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.73 2k77 h LYS 62 CO -0.10 0.14 -0.78 0.93 -2.27 0.00 0.00 179.45 177.37 2k77 h GLU 63 N 0.21 0.08 0.88 1.90 4.39 -1.33 -1.27 114.58 119.45 2k77 h GLU 63 Ca 0.08 -0.08 -0.04 0.00 0.34 0.00 0.00 59.36 59.65 2k77 h GLU 63 Cb 0.01 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.69 2k77 h GLU 63 CO -0.05 0.82 -0.42 0.28 -1.16 0.00 0.00 179.01 178.48 2k77 h VAL 64 N 0.05 0.10 0.00 3.13 2.07 -0.89 -2.92 116.25 117.78 2k77 h VAL 64 Ca -0.02 -0.05 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2k77 h VAL 64 Cb 1.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.24 2k77 h VAL 64 CO 0.11 0.00 -0.34 -0.33 0.02 0.00 0.00 177.57 177.03 2k77 h GLU 65 N -1.23 0.00 -0.12 1.57 5.08 -1.15 -1.55 114.58 117.18 2k77 h GLU 65 Ca -0.12 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.20 2k77 h GLU 65 Cb 0.91 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.15 2k77 h GLU 65 CO 0.20 0.34 -0.12 1.03 -1.00 0.00 0.00 179.01 179.46 2k77 h SER 66 N 0.00 0.17 0.34 1.42 0.87 -1.28 -0.36 113.55 114.71 2k77 h SER 66 Ca -0.00 -0.03 -0.33 0.00 -1.23 0.00 0.00 61.79 60.20 2k77 h SER 66 Cb 0.62 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 2k77 h SER 66 CO 0.04 0.32 -1.70 -0.07 -0.53 0.00 0.00 176.83 174.89 2k77 h LEU 67 N 0.17 0.38 0.00 2.23 3.38 -1.12 -3.41 115.31 116.94 2k77 h LEU 67 Ca 0.04 -0.63 -0.05 0.00 0.09 0.00 0.00 57.88 57.33 2k77 h LEU 67 Cb 0.33 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2k77 h LEU 67 CO 0.02 1.54 -1.79 2.30 0.09 0.00 0.00 178.44 180.60 2k77 n ILE 68 N -3.43 0.17 -4.82 1.22 -5.35 -0.67 -5.11 119.36 101.37 2k77 n ILE 68 Ca -0.21 -0.42 0.00 0.00 -0.27 0.00 0.00 62.75 61.85 2k77 n ILE 68 Cb 1.05 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.96 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 1.66 0.55 3.24 3.28 0.00 -0.15 -4.96 105.19 108.81 2k77 n GLY 69 Ca -0.07 -0.89 -0.13 0.00 0.00 0.00 0.00 46.02 44.93 2k77 n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 70 N 0.00 1.08 0.00 1.61 0.52 -1.26 -4.92 118.95 115.98 2k77 s ARG 70 Ca 0.00 -1.50 0.00 0.00 -0.52 0.00 0.00 55.73 53.71 2k77 s ARG 70 Cb 0.00 -0.35 0.00 0.00 0.52 0.00 0.00 34.95 35.12 2k77 s ARG 70 CO 0.00 -0.08 0.00 0.41 0.02 0.00 0.00 175.30 175.65 2k77 n GLY 71 N -0.22 0.41 2.20 -3.53 0.00 -0.37 -4.95 105.19 98.73 2k77 n GLY 71 Ca -0.08 -0.99 -0.17 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.26 2.08 -2.31 1.61 6.02 -0.70 -4.96 117.38 116.85 2k77 n GLN 72 Ca 0.00 -1.16 -0.42 0.00 -0.01 0.00 0.00 57.00 55.42 2k77 n GLN 72 Cb 0.17 -2.15 -0.03 0.00 1.02 0.00 0.00 30.24 29.26 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 1.79 4.41 -0.00 -1.09 2.12 -0.79 -4.29 118.70 120.85 2k77 s GLU 73 Ca 0.55 1.92 0.02 0.00 0.36 0.00 0.00 54.97 57.82 2k77 s GLU 73 Cb 0.22 -3.27 -0.02 0.00 0.26 0.00 0.00 34.13 31.32 2k77 s GLU 73 CO -0.02 -0.26 0.07 -1.33 -0.54 0.00 0.00 175.26 173.18 2k77 n MET 74 N 3.40 5.97 -3.77 4.30 2.81 -1.26 -5.04 117.12 123.53 2k77 n MET 74 Ca 0.08 -0.00 -0.24 0.00 -1.81 0.00 0.00 57.70 55.73 2k77 n MET 74 Cb 0.44 -0.61 0.03 0.00 -0.71 0.00 0.00 33.22 32.37 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 -1.08 -1.94 -4.15 7.83 7.64 -1.26 -5.00 113.62 115.65 2k77 n SER 75 Ca 0.00 -0.82 -0.20 0.00 1.01 0.00 0.00 58.87 58.86 2k77 n SER 75 Cb 0.03 -3.95 -0.13 0.00 -1.01 0.00 0.00 64.21 59.15 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 2k77 s GLN 76 N -6.17 0.91 0.61 1.43 0.74 -1.26 -5.15 119.66 110.78 2k77 s GLN 76 Ca 0.16 -0.81 -0.19 0.00 0.05 0.00 0.00 55.36 54.56 2k77 s GLN 76 Cb -0.08 -0.93 -0.02 0.00 1.10 0.00 0.00 33.01 33.08 2k77 s GLN 76 CO 0.82 0.22 1.28 0.99 -0.55 0.00 0.00 175.29 178.05 2k77 s THR 77 N -0.96 2.23 0.05 -0.34 2.01 -1.26 -4.78 115.64 112.58 2k77 s THR 77 Ca 0.01 0.15 -0.31 0.00 0.31 0.00 0.00 61.69 61.85 2k77 s THR 77 Cb -0.08 -3.06 -0.08 0.00 0.01 0.00 0.00 72.50 69.29 2k77 s THR 77 CO 0.02 -0.03 1.59 -0.63 -0.69 0.00 0.00 174.62 174.88 2k77 s ILE 78 N -1.44 3.21 0.31 1.82 -1.09 -1.26 -4.84 121.20 117.92 2k77 s ILE 78 Ca 0.79 0.64 0.09 0.00 -2.23 0.00 0.00 60.65 59.94 2k77 s ILE 78 Cb -0.36 -3.41 -0.06 0.00 -1.58 0.00 0.00 42.46 37.05 2k77 s ILE 78 CO 0.39 -0.00 -0.11 -1.00 -1.23 0.00 0.00 174.94 172.99 2k77 s HIS 79 N 2.61 2.24 -0.14 3.97 3.76 -1.24 -4.97 115.29 121.53 2k77 s HIS 79 Ca 0.71 -0.52 -0.08 0.00 -0.15 0.00 0.00 55.06 55.03 2k77 s HIS 79 Cb -0.38 -1.22 -0.04 0.00 1.11 0.00 0.00 32.58 32.06 2k77 s HIS 79 CO 0.31 0.53 0.14 0.71 -0.85 0.00 0.00 174.74 175.58 2k77 s TYR 80 N -2.70 3.55 0.83 1.40 1.51 -1.26 -0.58 117.35 120.10 2k77 s TYR 80 Ca 0.31 0.49 -0.11 0.00 -1.01 0.00 0.00 57.07 56.74 2k77 s TYR 80 Cb 0.01 -2.01 0.10 0.00 -0.11 0.00 0.00 41.96 39.95 2k77 s TYR 80 CO 0.15 0.61 1.13 0.95 -1.11 0.00 0.00 175.55 177.28 2k77 s THR 81 N -0.64 2.57 0.46 -0.71 -4.23 -0.25 -4.75 115.64 108.09 2k77 s THR 81 Ca 0.13 0.20 0.17 0.00 -1.18 0.00 0.00 61.69 61.02 2k77 s THR 81 Cb -0.12 -2.47 0.35 0.00 1.34 0.00 0.00 72.50 71.61 2k77 s THR 81 CO 0.03 -0.23 1.97 -0.65 -0.54 0.00 0.00 174.62 175.20 2k77 h PRO 82 N -1.34 0.29 -0.26 3.99 0.11 -1.99 0.43 132.00 133.22 2k77 h PRO 82 Ca -0.44 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2k77 h PRO 82 Cb 1.26 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k77 h PRO 82 CO 0.46 0.19 -0.16 0.00 -0.21 0.00 0.00 178.00 178.29 2k77 h ARG 83 N 0.30 0.57 -0.48 1.05 -0.00 -1.94 -1.28 114.38 112.59 2k77 h ARG 83 Ca 0.29 -0.26 -0.13 0.00 -0.50 0.00 0.00 59.98 59.38 2k77 h ARG 83 Cb 0.74 -0.01 -0.01 0.00 0.00 0.00 0.00 29.97 30.69 2k77 h ARG 83 CO -0.07 0.84 -0.21 0.00 0.00 0.00 0.00 179.97 180.52 2k77 h ALA 84 N 0.72 0.70 -0.57 0.04 0.00 -1.61 -0.69 119.26 117.85 2k77 h ALA 84 Ca 0.06 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 84 Cb 0.68 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.28 2k77 h ALA 84 CO 0.04 0.67 0.37 -0.22 0.00 0.00 0.00 179.25 180.12 2k77 h LYS 85 N 0.86 0.74 -0.60 0.00 3.64 -0.94 -0.01 116.57 120.25 2k77 h LYS 85 Ca 0.11 -0.04 -0.01 0.00 -1.27 0.00 0.00 60.65 59.43 2k77 h LYS 85 Cb 0.79 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.42 2k77 h LYS 85 CO 0.07 0.49 0.32 -0.22 -2.27 0.00 0.00 179.45 177.83 2k77 h LYS 86 N 0.76 0.84 -0.61 1.90 3.64 -1.10 -1.58 116.57 120.42 2k77 h LYS 86 Ca 0.21 -0.11 0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2k77 h LYS 86 Cb -0.08 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 31.54 2k77 h LYS 86 CO -0.05 0.65 0.37 0.28 -2.27 0.00 0.00 179.45 178.43 2k77 h VAL 87 N 0.81 1.06 -0.61 2.00 2.07 -0.77 -0.23 116.25 120.58 2k77 h VAL 87 Ca 0.21 -0.25 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 2k77 h VAL 87 Cb 0.07 0.28 -0.03 0.00 -1.52 0.00 0.00 31.29 30.08 2k77 h VAL 87 CO -0.03 0.13 0.32 0.40 0.02 0.00 0.00 177.57 178.41 2k77 h ILE 88 N 0.72 1.21 -0.52 4.57 1.08 -0.62 0.17 117.51 124.12 2k77 h ILE 88 Ca 0.25 -0.55 -0.10 0.00 -0.39 0.00 0.00 64.86 64.07 2k77 h ILE 88 Cb 0.04 0.44 -0.02 0.00 -3.07 0.00 0.00 36.82 34.21 2k77 h ILE 88 CO -0.11 0.23 -0.08 -0.33 -0.69 0.00 0.00 178.15 177.17 2k77 h GLU 89 N 0.84 0.93 0.00 2.37 5.08 -1.11 -2.90 114.58 119.79 2k77 h GLU 89 Ca 0.21 -0.32 -0.10 0.00 -1.00 0.00 0.00 59.36 58.16 2k77 h GLU 89 Cb 0.08 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2k77 h GLU 89 CO -0.03 0.97 -0.46 -0.07 -1.00 0.00 0.00 179.01 178.42 2k77 h LEU 90 N 0.84 0.00 -0.55 1.33 3.38 -0.68 -2.40 115.31 117.23 2k77 h LEU 90 Ca 0.14 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 90 Cb 0.61 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.34 2k77 h LEU 90 CO 0.04 0.46 -0.07 0.28 0.09 0.00 0.00 178.44 179.24 2k77 h SER 91 N 0.00 1.02 0.59 -0.43 0.02 -0.47 0.47 113.55 114.76 2k77 h SER 91 Ca -0.00 -0.34 -0.15 0.00 -0.84 0.00 0.00 61.79 60.45 2k77 h SER 91 Cb 0.82 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2k77 h SER 91 CO 0.06 1.12 -0.70 0.00 -1.14 0.00 0.00 176.83 176.16 2k77 h MET 92 N 0.90 0.09 -0.62 3.45 -0.00 -1.51 -1.43 114.93 115.82 2k77 h MET 92 Ca 0.15 -0.08 -0.08 0.00 -0.00 0.00 0.00 59.70 59.69 2k77 h MET 92 Cb 0.64 0.02 -0.02 0.00 -0.00 0.00 0.00 31.60 32.23 2k77 h MET 92 CO 0.04 0.75 0.05 0.22 -0.00 0.00 0.00 176.91 177.98 2k77 h ASP 93 N 0.06 1.02 -0.37 -0.10 3.58 -1.15 -1.98 116.42 117.49 2k77 h ASP 93 Ca -0.01 -0.28 -0.11 0.00 0.42 0.00 0.00 57.03 57.04 2k77 h ASP 93 Cb 1.24 -0.27 -0.02 0.00 1.72 0.00 0.00 39.33 42.01 2k77 h ASP 93 CO 0.10 1.05 -0.18 -0.33 -2.88 0.00 0.00 179.24 177.00 2k77 h GLU 94 N 0.95 0.85 -0.47 0.28 4.39 -0.89 -2.20 114.58 117.49 2k77 h GLU 94 Ca 0.18 -0.33 -0.01 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 94 Cb 0.49 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.07 2k77 h GLU 94 CO 0.02 0.96 0.26 0.00 -1.16 0.00 0.00 179.01 179.09 2k77 h ALA 95 N 1.05 0.61 0.00 3.43 0.00 -1.11 -2.49 119.26 120.74 2k77 h ALA 95 Ca 0.11 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 95 Cb 0.70 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 95 CO 0.05 0.13 -0.31 0.07 0.00 0.00 0.00 179.25 179.20 2k77 h ARG 96 N 0.63 0.00 -0.53 0.00 0.11 -1.35 -1.39 114.38 111.84 2k77 h ARG 96 Ca 0.17 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.24 2k77 h ARG 96 Cb 0.06 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 31.11 2k77 h ARG 96 CO -0.03 0.31 0.30 -0.22 0.10 0.00 0.00 179.97 180.43 2k77 h LYS 97 N 0.00 0.73 -0.00 0.08 1.63 -0.97 -1.86 116.57 116.17 2k77 h LYS 97 Ca -0.00 -0.07 0.00 0.00 -0.85 0.00 0.00 60.65 59.73 2k77 h LYS 97 Cb 0.76 -0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.23 2k77 h LYS 97 CO 0.04 0.53 -0.14 1.28 -3.45 0.00 0.00 179.45 177.71 2k77 n LEU 98 N -4.41 0.55 -0.20 5.20 7.99 -1.00 -4.96 117.00 120.18 2k77 n LEU 98 Ca 0.05 -0.02 -0.03 0.00 -0.01 0.00 0.00 56.01 56.00 2k77 n LEU 98 Cb 0.09 -0.18 -0.01 0.00 -0.11 0.00 0.00 43.42 43.21 2k77 n LEU 98 CO 0.37 0.10 -0.02 0.61 -1.51 0.00 0.00 177.39 176.94 2k77 n GLY 99 N 1.30 0.58 3.79 -0.72 0.00 -0.70 -5.05 105.19 104.40 2k77 n GLY 99 Ca 0.14 -0.48 -0.36 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 3.61 -2.23 1.61 3.76 -0.56 -4.98 115.29 114.51 2k77 s HIS 100 Ca 0.00 1.75 0.20 0.00 -0.15 0.00 0.00 55.06 56.86 2k77 s HIS 100 Cb 0.00 -2.91 0.76 0.00 1.11 0.00 0.00 32.58 31.53 2k77 s HIS 100 CO 0.00 0.14 1.54 0.43 -0.85 0.00 0.00 174.74 176.00 2k77 n SER 101 N 0.32 1.48 -3.44 1.40 7.64 -1.26 -4.00 113.62 115.76 2k77 n SER 101 Ca 0.03 -1.70 -0.13 0.00 1.01 0.00 0.00 58.87 58.09 2k77 n SER 101 Cb 0.51 -0.10 -0.03 0.00 -1.01 0.00 0.00 64.21 63.58 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 -1.80 -0.56 -0.32 1.43 -0.85 -1.26 -4.72 117.35 109.27 2k77 s TYR 102 Ca 0.31 0.45 -0.25 0.00 -0.52 0.00 0.00 57.07 57.06 2k77 s TYR 102 Cb 0.16 0.54 0.01 0.00 0.38 0.00 0.00 41.96 43.05 2k77 s TYR 102 CO 0.25 -0.81 0.86 0.08 -1.52 0.00 0.00 175.55 174.41 2k77 s VAL 103 N -3.36 4.71 0.78 -3.49 1.01 -0.11 -4.87 120.40 115.08 2k77 s VAL 103 Ca -0.01 1.26 -0.11 0.00 0.00 0.00 0.00 61.98 63.13 2k77 s VAL 103 Cb -0.01 -4.23 0.07 0.00 0.00 0.00 0.00 36.38 32.22 2k77 s VAL 103 CO -0.09 -0.35 1.14 -0.83 0.00 0.00 0.00 175.10 174.97 2k77 s GLY 104 N 1.68 1.61 0.28 4.51 0.00 -1.26 -1.02 107.32 113.12 2k77 s GLY 104 Ca 0.36 -0.71 -0.02 0.00 0.00 0.00 0.00 44.72 44.35 2k77 s GLY 104 CO 0.14 -0.24 1.91 -0.91 0.00 0.00 0.00 173.10 174.00 2k77 h THR 105 N -0.94 1.13 -0.50 0.90 1.35 -1.93 -1.74 112.91 111.17 2k77 h THR 105 Ca -0.46 -0.40 0.10 0.00 -0.55 0.00 0.00 66.41 65.11 2k77 h THR 105 Cb 1.32 -0.13 -0.10 0.00 -1.73 0.00 0.00 68.15 67.52 2k77 h THR 105 CO 0.65 0.21 -0.20 1.05 -0.25 0.00 0.00 175.52 176.97 2k77 h GLU 106 N 1.15 -0.09 0.00 4.72 9.09 -1.94 -2.22 114.58 125.30 2k77 h GLU 106 Ca 0.39 0.01 -0.10 0.00 0.05 0.00 0.00 59.36 59.70 2k77 h GLU 106 Cb 0.08 0.02 -0.01 0.00 -1.65 0.00 0.00 28.75 27.19 2k77 h GLU 106 CO -0.13 -0.06 -0.48 0.45 0.05 0.00 0.00 179.01 178.84 2k77 h HIS 107 N -0.09 0.00 -0.13 2.06 3.86 -1.69 -1.34 115.15 117.83 2k77 h HIS 107 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 2k77 h HIS 107 Cb 0.46 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.92 2k77 h HIS 107 CO -0.49 0.48 0.08 0.82 0.86 0.00 0.00 177.93 179.68 2k77 h ILE 108 N 0.00 1.05 -0.53 2.45 2.04 -0.89 -0.85 117.51 120.78 2k77 h ILE 108 Ca -0.00 -0.12 -0.04 0.00 1.00 0.00 0.00 64.86 65.69 2k77 h ILE 108 Cb 0.97 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2k77 h ILE 108 CO 0.06 0.05 0.17 0.25 0.00 0.00 0.00 178.15 178.68 2k77 h LEU 109 N 0.15 0.76 -1.46 1.44 5.85 -1.03 -1.08 115.31 119.95 2k77 h LEU 109 Ca 0.05 -0.20 0.08 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 109 Cb 0.01 -0.20 -0.04 0.00 0.37 0.00 0.00 40.66 40.80 2k77 h LEU 109 CO -0.01 0.76 0.45 -0.07 -0.34 0.00 0.00 178.44 179.23 2k77 h LEU 110 N 0.72 0.57 -0.28 2.25 3.38 -1.16 -1.54 115.31 119.25 2k77 h LEU 110 Ca 0.17 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 110 Cb 0.26 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 110 CO -0.01 0.36 0.10 1.23 0.09 0.00 0.00 178.44 180.21 2k77 h GLY 111 N 0.64 0.46 0.83 0.83 0.00 -0.44 -1.06 103.07 104.33 2k77 h GLY 111 Ca 0.30 -0.26 0.03 0.00 0.00 0.00 0.00 47.33 47.40 2k77 h GLY 111 CO -0.10 0.24 0.17 1.41 0.00 0.00 0.00 176.54 178.26 2k77 h LEU 112 N 0.30 0.24 -0.40 3.11 3.38 -0.28 -1.89 115.31 119.77 2k77 h LEU 112 Ca 0.09 0.02 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 112 Cb 0.20 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.92 2k77 h LEU 112 CO -0.01 0.18 -0.76 0.16 0.09 0.00 0.00 178.44 178.11 2k77 h ILE 113 N 0.35 1.41 0.00 1.22 3.07 -1.38 -3.23 117.51 118.94 2k77 h ILE 113 Ca 0.15 -2.25 -0.07 0.00 1.55 0.00 0.00 64.86 64.24 2k77 h ILE 113 Cb 0.06 2.20 -0.01 0.00 -0.27 0.00 0.00 36.82 38.80 2k77 h ILE 113 CO -0.10 0.67 -0.33 -0.09 -1.05 0.00 0.00 178.15 177.24 2k77 h ARG 114 N 0.21 0.00 0.00 0.16 9.65 -0.96 -3.13 114.38 120.31 2k77 h ARG 114 Ca -0.03 0.00 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k77 h ARG 114 Cb 1.34 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.92 2k77 h ARG 114 CO 0.12 0.33 -0.00 1.49 2.80 0.00 0.00 179.97 184.71 2k77 h GLU 115 N 0.00 -0.01 0.00 0.20 4.22 -1.39 -3.48 114.58 114.12 2k77 h GLU 115 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 115 Cb 0.59 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.84 2k77 h GLU 115 CO 0.04 0.49 0.00 0.41 -2.18 0.00 0.00 179.01 177.78 2k77 n GLY 116 N 0.26 1.99 0.02 1.92 0.00 -1.19 -4.78 105.19 103.42 2k77 n GLY 116 Ca -0.09 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.91 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -2.00 3.13 -0.83 1.61 -0.58 -1.26 -4.79 120.64 115.91 2k77 n GLU 117 Ca 0.00 -0.00 -0.31 0.00 -0.42 0.00 0.00 57.16 56.43 2k77 n GLU 117 Cb 0.00 -1.13 0.15 0.00 -0.57 0.00 0.00 31.44 29.89 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k77 s GLY 118 N -3.63 1.68 0.39 0.62 0.00 -1.26 -4.85 107.32 100.27 2k77 s GLY 118 Ca -0.03 0.51 0.12 0.00 0.00 0.00 0.00 44.72 45.32 2k77 s GLY 118 CO 0.20 0.91 1.90 -2.08 0.00 0.00 0.00 173.10 174.03 2k77 h VAL 119 N -1.70 0.83 -0.60 1.40 2.07 -1.96 -2.29 116.25 114.00 2k77 h VAL 119 Ca -0.43 -0.20 0.07 0.00 0.82 0.00 0.00 66.70 66.96 2k77 h VAL 119 Cb 1.26 0.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.18 2k77 h VAL 119 CO 0.44 0.10 0.27 0.00 0.02 0.00 0.00 177.57 178.41 2k77 h ALA 120 N 1.62 0.79 -0.42 1.67 0.00 -1.92 0.31 119.26 121.31 2k77 h ALA 120 Ca 0.40 0.05 -0.06 0.00 0.00 0.00 0.00 54.91 55.30 2k77 h ALA 120 Cb 0.73 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 120 CO -0.16 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 2k77 h ALA 121 N 1.36 1.20 -0.20 0.00 0.00 -1.61 -2.40 119.26 117.62 2k77 h ALA 121 Ca 0.29 -0.24 -0.03 0.00 0.00 0.00 0.00 54.91 54.92 2k77 h ALA 121 Cb 0.27 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k77 h ALA 121 CO -0.24 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.55 2k77 h ARG 122 N 0.64 0.34 -0.31 0.00 3.08 -1.24 -2.44 114.38 114.45 2k77 h ARG 122 Ca 0.13 -0.10 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2k77 h ARG 122 Cb 0.41 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.39 2k77 h ARG 122 CO 0.02 0.53 0.10 0.28 -1.07 0.00 0.00 179.97 179.82 2k77 h VAL 123 N 0.12 0.90 -0.43 2.04 2.07 -0.86 0.29 116.25 120.38 2k77 h VAL 123 Ca 0.06 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.49 2k77 h VAL 123 Cb 0.36 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 30.77 2k77 h VAL 123 CO 0.01 0.04 0.21 -0.07 0.02 0.00 0.00 177.57 177.78 2k77 h LEU 124 N 0.23 0.55 -0.79 2.57 3.38 -1.43 -1.15 115.31 118.67 2k77 h LEU 124 Ca 0.14 -0.12 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 124 Cb 0.12 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2k77 h LEU 124 CO -0.15 0.52 -0.54 0.78 0.09 0.00 0.00 178.44 179.13 2k77 h ASN 125 N 0.55 0.19 -0.39 -0.43 2.35 -1.15 0.85 115.58 117.54 2k77 h ASN 125 Ca 0.15 -0.10 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 2k77 h ASN 125 Cb 0.11 -0.05 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 2k77 h ASN 125 CO -0.02 0.69 0.10 -1.13 -1.65 0.00 0.00 177.43 175.42 2k77 h ASN 126 N 0.13 0.59 0.14 5.81 -1.24 -0.78 -3.18 115.58 117.05 2k77 h ASN 126 Ca 0.00 -0.23 -0.15 0.00 0.71 0.00 0.00 56.30 56.63 2k77 h ASN 126 Cb 1.00 -0.16 -0.01 0.00 0.73 0.00 0.00 38.32 39.88 2k77 h ASN 126 CO 0.08 0.67 -0.53 -0.07 -1.29 0.00 0.00 177.43 176.29 2k77 h LEU 127 N 0.49 0.48 0.00 0.34 3.38 -1.01 -3.48 115.31 115.51 2k77 h LEU 127 Ca 0.12 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 127 Cb 0.31 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.92 2k77 h LEU 127 CO 0.00 0.92 0.00 0.61 0.09 0.00 0.00 178.44 180.06 2k77 n GLY 128 N 0.18 0.08 3.78 0.83 0.00 -0.21 -5.10 105.19 104.75 2k77 n GLY 128 Ca -0.03 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.61 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 -0.95 4.92 0.42 1.61 1.01 0.12 -4.95 120.40 122.57 2k77 s VAL 129 Ca 0.00 1.12 0.08 0.00 0.00 0.00 0.00 61.98 63.18 2k77 s VAL 129 Cb 0.00 -3.87 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 2k77 s VAL 129 CO 0.00 0.47 0.38 -0.94 0.00 0.00 0.00 175.10 175.01 2k77 s SER 130 N -0.48 5.03 0.25 3.32 1.04 -1.26 -2.73 113.70 118.87 2k77 s SER 130 Ca 0.28 -0.76 -0.04 0.00 0.48 0.00 0.00 55.95 55.91 2k77 s SER 130 Cb -0.18 -0.55 0.47 0.00 0.10 0.00 0.00 66.02 65.86 2k77 s SER 130 CO 0.16 -0.66 1.70 0.25 0.98 0.00 0.00 173.24 175.67 2k77 h LEU 131 N 1.03 0.11 -0.16 2.42 6.46 -1.97 -1.44 115.31 121.75 2k77 h LEU 131 Ca -0.41 0.14 -0.15 0.00 -0.12 0.00 0.00 57.88 57.34 2k77 h LEU 131 Cb 1.27 0.16 0.00 0.00 -0.73 0.00 0.00 40.66 41.36 2k77 h LEU 131 CO 0.57 0.00 -0.47 -1.13 -0.62 0.00 0.00 178.44 176.80 2k77 h ASN 132 N 0.32 0.69 -0.40 1.25 -0.73 -1.98 -1.43 115.58 113.31 2k77 h ASN 132 Ca 0.42 -0.59 -0.04 0.00 1.87 0.00 0.00 56.30 57.96 2k77 h ASN 132 Cb 0.70 -0.20 -0.02 0.00 0.27 0.00 0.00 38.32 39.08 2k77 h ASN 132 CO -0.48 1.16 0.07 0.11 -0.37 0.00 0.00 177.43 177.92 2k77 h LYS 133 N 0.26 0.65 -0.46 6.67 1.57 -1.89 -0.37 116.57 123.00 2k77 h LYS 133 Ca -0.01 -0.17 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 2k77 h LYS 133 Cb 1.09 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 33.30 2k77 h LYS 133 CO 0.10 0.69 0.06 0.00 -0.57 0.00 0.00 179.45 179.73 2k77 h ALA 134 N 0.93 0.61 0.03 3.86 0.00 -1.35 -2.65 119.26 120.68 2k77 h ALA 134 Ca 0.12 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 134 Cb 0.35 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 2k77 h ALA 134 CO 0.01 0.34 -0.18 0.00 0.00 0.00 0.00 179.25 179.42 2k77 h ARG 135 N 0.62 -0.30 -0.74 0.00 3.08 -1.02 -1.17 114.38 114.84 2k77 h ARG 135 Ca 0.14 0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.21 2k77 h ARG 135 Cb 0.40 0.07 -0.04 0.00 0.08 0.00 0.00 29.97 30.49 2k77 h ARG 135 CO 0.01 -0.20 0.48 1.96 -1.07 0.00 0.00 179.97 181.15 2k77 h GLN 136 N -0.31 0.99 -0.19 0.04 4.20 -1.03 0.81 115.11 119.62 2k77 h GLN 136 Ca 0.05 -0.07 -0.19 0.00 0.06 0.00 0.00 58.65 58.49 2k77 h GLN 136 Cb 0.37 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.93 2k77 h GLN 136 CO -0.15 0.67 -0.66 1.96 -0.67 0.00 0.00 178.83 179.98 2k77 h GLN 137 N 1.01 0.71 -0.23 1.46 1.08 -1.38 -2.13 115.11 115.62 2k77 h GLN 137 Ca 0.27 -0.51 -0.07 0.00 -1.45 0.00 0.00 58.65 56.89 2k77 h GLN 137 Cb -0.09 0.09 -0.01 0.00 -0.05 0.00 0.00 27.48 27.42 2k77 h GLN 137 CO -0.06 1.13 -0.11 0.28 -0.95 0.00 0.00 178.83 179.13 2k77 h VAL 138 N 0.51 1.30 0.00 -0.54 2.07 -0.98 -0.20 116.25 118.42 2k77 h VAL 138 Ca -0.02 -1.18 -0.05 0.00 0.82 0.00 0.00 66.70 66.27 2k77 h VAL 138 Cb 1.26 1.59 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2k77 h VAL 138 CO 0.13 0.36 -0.23 -0.07 0.02 0.00 0.00 177.57 177.79 2k77 h LEU 139 N 0.20 0.00 0.00 2.57 3.38 -0.89 -2.04 115.31 118.52 2k77 h LEU 139 Ca 0.05 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 139 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2k77 h LEU 139 CO 0.03 0.23 -0.01 1.56 0.09 0.00 0.00 178.44 180.34 2k77 h GLN 140 N 0.00 0.00 0.00 1.13 4.20 -1.36 -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 0.58 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.36 2k77 h GLN 140 CO 0.03 0.44 0.00 1.25 -0.67 0.00 0.00 178.83 179.88 2k77 h LEU 141 N -1.00 0.00 -0.13 1.46 5.85 -0.89 0.98 115.31 121.59 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 0.44 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.47 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 -2.49 0.08 0.00 2.25 -0.00 -0.78 -4.73 117.00 111.33 2k77 n LEU 142 Ca 0.01 0.53 0.00 0.00 -0.00 0.00 0.00 56.01 56.55 2k77 n LEU 142 Cb 0.22 -0.52 0.00 0.00 -0.00 0.00 0.00 43.42 43.11 2k77 n LEU 142 CO 0.20 -0.40 0.00 0.61 -0.00 0.00 0.00 177.39 177.80 2k77 n GLY 143 N -0.59 0.01 0.45 1.47 0.00 -0.95 -5.03 105.19 100.55 2k77 n GLY 143 Ca 0.02 0.00 0.12 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 1.75 0.00 1.61 7.64 0.16 -5.12 113.62 119.66 2k77 n SER 144 Ca 0.00 -1.35 0.12 0.00 1.01 0.00 0.00 58.87 58.65 2k77 n SER 144 Cb 0.00 0.31 0.70 0.00 -1.01 0.00 0.00 64.21 64.22 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83