#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 0.91 0.00 0.03 -2.45 -1.26 -5.05 119.30 111.48 2k77 s MET 2 Ca 0.00 -0.94 0.08 0.00 -1.25 0.00 0.00 55.69 53.58 2k77 s MET 2 Cb 0.00 0.37 0.40 0.00 1.25 0.00 0.00 34.83 36.85 2k77 s MET 2 CO 0.00 -0.31 1.08 1.97 1.05 0.00 0.00 175.02 178.82 2k77 n PHE 3 N -0.10 0.00 1.81 4.11 1.16 -1.26 -3.77 117.46 119.41 2k77 n PHE 3 Ca -0.14 0.00 0.01 0.00 -1.87 0.00 0.00 57.45 55.44 2k77 n PHE 3 Cb 0.63 -0.24 0.05 0.00 -1.61 0.00 0.00 39.48 38.30 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 -0.61 -0.91 3.73 4.97 0.00 -1.26 -3.56 105.19 107.55 2k77 n GLY 4 Ca 0.04 -0.01 -0.32 0.00 0.00 0.00 0.00 46.02 45.73 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 -2.00 1.92 0.12 1.61 1.81 -1.25 -4.89 118.95 116.28 2k77 s ARG 5 Ca 0.02 1.39 0.10 0.00 -1.72 0.00 0.00 55.73 55.52 2k77 s ARG 5 Cb 0.01 -1.84 -0.04 0.00 -0.45 0.00 0.00 34.95 32.63 2k77 s ARG 5 CO 0.02 -1.93 -0.25 -0.06 -0.68 0.00 0.00 175.30 172.40 2k77 s PHE 6 N -2.64 2.12 0.96 -0.53 0.40 -1.26 -0.31 117.98 116.72 2k77 s PHE 6 Ca 0.65 -0.39 -0.13 0.00 -0.60 0.00 0.00 56.93 56.46 2k77 s PHE 6 Cb -0.21 -1.15 0.17 0.00 0.51 0.00 0.00 43.02 42.34 2k77 s PHE 6 CO 0.53 0.30 1.12 0.95 0.70 0.00 0.00 175.22 178.82 2k77 s THR 7 N -1.12 1.99 0.15 0.64 -4.23 -0.48 -4.79 115.64 107.80 2k77 s THR 7 Ca 0.11 0.00 -0.16 0.00 -1.18 0.00 0.00 61.69 60.47 2k77 s THR 7 Cb -0.10 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.13 2k77 s THR 7 CO 0.05 0.00 1.80 -0.08 -0.54 0.00 0.00 174.62 175.86 2k77 h GLU 8 N -1.73 0.56 -0.71 3.99 4.81 -1.99 -0.49 114.58 119.03 2k77 h GLU 8 Ca -0.52 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 58.61 2k77 h GLU 8 Cb 1.33 -0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.56 2k77 h GLU 8 CO 0.59 0.40 0.24 0.00 -0.73 0.00 0.00 179.01 179.50 2k77 h ARG 9 N 0.56 1.09 -0.32 1.92 3.08 -1.96 -0.80 114.38 117.95 2k77 h ARG 9 Ca 0.15 -0.22 -0.12 0.00 0.07 0.00 0.00 59.98 59.86 2k77 h ARG 9 Cb -0.03 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 2k77 h ARG 9 CO -0.03 0.92 -0.28 0.00 -1.07 0.00 0.00 179.97 179.51 2k77 h ALA 10 N 1.20 0.47 -0.50 0.04 0.00 -1.80 -1.26 119.26 117.42 2k77 h ALA 10 Ca 0.23 -0.40 -0.02 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 10 Cb 0.27 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k77 h ALA 10 CO -0.01 0.48 0.21 1.96 0.00 0.00 0.00 179.25 181.89 2k77 h GLN 11 N 0.53 0.71 -0.60 0.00 4.20 -0.98 -2.10 115.11 116.86 2k77 h GLN 11 Ca 0.06 -0.10 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 11 Cb 0.85 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2k77 h GLN 11 CO 0.07 0.58 0.08 0.87 -0.67 0.00 0.00 178.83 179.76 2k77 h LYS 12 N 0.70 1.00 -0.70 1.46 1.57 -0.83 -0.32 116.57 119.45 2k77 h LYS 12 Ca 0.17 -0.28 -0.04 0.00 -1.87 0.00 0.00 60.65 58.64 2k77 h LYS 12 Cb 0.13 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.29 2k77 h LYS 12 CO -0.02 0.95 0.29 -0.39 -0.57 0.00 0.00 179.45 179.71 2k77 h VAL 13 N 0.90 1.24 -0.03 0.50 -1.51 -0.81 -0.58 116.25 115.96 2k77 h VAL 13 Ca 0.18 -0.73 -0.15 0.00 -1.23 0.00 0.00 66.70 64.76 2k77 h VAL 13 Cb 0.45 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2k77 h VAL 13 CO 0.01 0.30 -0.67 -0.07 -1.23 0.00 0.00 177.57 175.91 2k77 h LEU 14 N 1.01 0.17 -0.42 4.19 3.38 -1.20 0.25 115.31 122.69 2k77 h LEU 14 Ca 0.24 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 14 Cb 0.18 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 2k77 h LEU 14 CO -0.02 0.80 -0.10 0.00 0.09 0.00 0.00 178.44 179.21 2k77 h ALA 15 N 1.20 0.58 0.00 1.53 0.00 -0.84 -2.99 119.26 118.74 2k77 h ALA 15 Ca -0.01 -0.32 -0.09 0.00 0.00 0.00 0.00 54.91 54.48 2k77 h ALA 15 Cb 1.20 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k77 h ALA 15 CO 0.10 0.46 -0.44 -0.07 0.00 0.00 0.00 179.25 179.29 2k77 h LEU 16 N 0.63 0.00 -1.20 0.00 3.38 -0.98 -2.82 115.31 114.33 2k77 h LEU 16 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 16 Cb 0.62 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.35 2k77 h LEU 16 CO 0.04 0.44 0.13 0.00 0.09 0.00 0.00 178.44 179.15 2k77 h ALA 17 N 1.56 1.36 -0.39 1.53 0.00 -0.88 0.24 119.26 122.68 2k77 h ALA 17 Ca -0.00 -0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 17 Cb 0.84 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 2k77 h ALA 17 CO 0.06 0.46 -0.07 0.37 0.00 0.00 0.00 179.25 180.08 2k77 h GLN 18 N 0.68 0.74 -0.36 0.00 4.15 -1.35 -1.19 115.11 117.78 2k77 h GLN 18 Ca 0.16 -0.27 -0.14 0.00 0.77 0.00 0.00 58.65 59.17 2k77 h GLN 18 Cb 0.22 -0.05 -0.01 0.00 0.21 0.00 0.00 27.48 27.85 2k77 h GLN 18 CO -0.01 0.86 -0.32 0.93 -1.93 0.00 0.00 178.83 178.36 2k77 h GLU 19 N 0.55 0.79 -0.14 1.69 5.08 -1.38 -1.17 114.58 120.00 2k77 h GLU 19 Ca 0.10 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 2k77 h GLU 19 Cb 0.57 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.80 2k77 h GLU 19 CO 0.03 1.00 -0.17 0.93 -1.00 0.00 0.00 179.01 179.80 2k77 h GLU 20 N 0.67 0.22 0.18 2.33 4.39 -0.91 -0.40 114.58 121.07 2k77 h GLU 20 Ca 0.07 -0.06 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k77 h GLU 20 Cb 0.86 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 29.49 2k77 h GLU 20 CO 0.08 0.40 -0.09 0.00 -1.16 0.00 0.00 179.01 178.24 2k77 h ALA 21 N 1.62 -0.25 -0.64 3.43 0.00 -1.05 -3.21 119.26 119.17 2k77 h ALA 21 Ca 0.04 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 21 Cb 0.43 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 21 CO 0.03 -0.41 0.21 -0.07 0.00 0.00 0.00 179.25 179.00 2k77 h LEU 22 N -0.70 0.90 -1.41 0.00 3.38 -0.99 -0.52 115.31 115.97 2k77 h LEU 22 Ca -0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 57.88 57.77 2k77 h LEU 22 Cb 0.49 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 41.01 2k77 h LEU 22 CO 0.04 0.84 -0.09 0.08 0.09 0.00 0.00 178.44 179.40 2k77 h ARG 23 N 0.94 0.00 -0.00 1.13 -0.00 -1.22 -2.58 114.38 112.66 2k77 h ARG 23 Ca 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.19 2k77 h ARG 23 Cb 0.26 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.23 2k77 h ARG 23 CO -0.01 0.09 -0.29 -0.11 -0.00 0.00 0.00 179.97 179.65 2k77 n LEU 24 N -3.24 0.41 -0.43 0.08 7.94 -0.81 -4.96 117.00 115.99 2k77 n LEU 24 Ca 0.00 0.11 -0.02 0.00 -1.11 0.00 0.00 56.01 54.99 2k77 n LEU 24 Cb 0.34 -0.29 0.00 0.00 0.53 0.00 0.00 43.42 44.00 2k77 n LEU 24 CO 0.29 0.09 -0.00 0.61 -1.11 0.00 0.00 177.39 177.27 2k77 n GLY 25 N 1.45 0.52 3.45 -3.96 0.00 -0.97 -4.54 105.19 101.14 2k77 n GLY 25 Ca 0.08 -0.73 -0.33 0.00 0.00 0.00 0.00 46.02 45.04 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 -2.48 2.89 -0.45 1.61 3.76 -0.27 -0.95 115.29 119.40 2k77 s HIS 26 Ca 0.02 -0.41 0.04 0.00 -0.15 0.00 0.00 55.06 54.56 2k77 s HIS 26 Cb -0.01 -1.85 0.66 0.00 1.11 0.00 0.00 32.58 32.49 2k77 s HIS 26 CO 0.03 -0.06 1.92 0.09 -0.85 0.00 0.00 174.74 175.87 2k77 n ASN 27 N 3.28 3.83 -4.02 1.40 4.13 -1.16 -3.00 115.26 119.71 2k77 n ASN 27 Ca -0.18 -3.62 -0.08 0.00 1.68 0.00 0.00 54.58 52.39 2k77 n ASN 27 Cb 0.53 -0.84 -0.10 0.00 -1.54 0.00 0.00 39.78 37.83 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 -1.33 0.35 -0.24 6.41 2.20 -1.26 -3.29 114.94 117.79 2k77 s ASN 28 Ca 0.57 -0.77 -0.04 0.00 -0.94 0.00 0.00 52.86 51.68 2k77 s ASN 28 Cb 0.48 0.19 0.01 0.00 -2.00 0.00 0.00 41.25 39.92 2k77 s ASN 28 CO 0.11 -0.51 -0.03 -0.63 -2.94 0.00 0.00 177.10 173.10 2k77 s ILE 29 N -3.05 3.30 0.60 0.54 1.01 0.06 -4.77 121.20 118.88 2k77 s ILE 29 Ca -0.01 -0.72 0.09 0.00 0.00 0.00 0.00 60.65 60.01 2k77 s ILE 29 Cb 0.02 -2.60 0.10 0.00 0.01 0.00 0.00 42.46 39.99 2k77 s ILE 29 CO -0.07 0.28 0.82 -0.83 0.00 0.00 0.00 174.94 175.15 2k77 s GLY 30 N 1.43 1.71 0.29 6.18 0.00 -1.26 -1.36 107.32 114.30 2k77 s GLY 30 Ca 0.03 -2.18 0.01 0.00 0.00 0.00 0.00 44.72 42.58 2k77 s GLY 30 CO -0.03 -1.68 1.87 -0.91 0.00 0.00 0.00 173.10 172.34 2k77 h THR 31 N 0.10 0.99 -0.50 0.90 1.35 -1.92 -1.65 112.91 112.17 2k77 h THR 31 Ca -0.29 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.32 2k77 h THR 31 Cb 1.29 -0.13 -0.09 0.00 -1.73 0.00 0.00 68.15 67.48 2k77 h THR 31 CO 0.40 0.19 -0.11 1.05 -0.25 0.00 0.00 175.52 176.80 2k77 h GLU 32 N 1.03 0.01 -0.08 4.72 9.09 -1.94 -0.40 114.58 127.01 2k77 h GLU 32 Ca 0.46 -0.00 -0.18 0.00 0.05 0.00 0.00 59.36 59.69 2k77 h GLU 32 Cb 0.37 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.46 2k77 h GLU 32 CO -0.21 0.01 -0.70 0.45 0.05 0.00 0.00 179.01 178.61 2k77 h HIS 33 N 0.01 0.51 -0.70 2.06 3.86 -1.68 -0.73 115.15 118.48 2k77 h HIS 33 Ca 0.24 -0.22 -0.04 0.00 -1.16 0.00 0.00 60.37 59.19 2k77 h HIS 33 Cb 0.37 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 28.73 2k77 h HIS 33 CO -0.41 0.96 0.28 0.82 0.86 0.00 0.00 177.93 180.44 2k77 h ILE 34 N 0.26 1.25 -0.44 2.45 2.04 -1.14 0.47 117.51 122.41 2k77 h ILE 34 Ca -0.02 -0.78 -0.08 0.00 1.00 0.00 0.00 64.86 64.98 2k77 h ILE 34 Cb 1.26 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.77 2k77 h ILE 34 CO 0.12 0.31 -0.03 0.25 0.00 0.00 0.00 178.15 178.80 2k77 h LEU 35 N 1.00 0.78 -0.76 1.44 5.85 -0.88 -0.79 115.31 121.96 2k77 h LEU 35 Ca 0.23 -0.32 0.04 0.00 0.84 0.00 0.00 57.88 58.67 2k77 h LEU 35 Cb 0.21 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.98 2k77 h LEU 35 CO -0.02 0.92 0.47 -0.07 -0.34 0.00 0.00 178.44 179.40 2k77 h LEU 36 N 0.63 0.77 -0.72 2.25 4.07 -0.99 -1.60 115.31 119.73 2k77 h LEU 36 Ca 0.12 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.11 2k77 h LEU 36 Cb 0.53 -0.16 -0.04 0.00 1.08 0.00 0.00 40.66 42.07 2k77 h LEU 36 CO 0.03 0.53 0.45 1.23 -1.08 0.00 0.00 178.44 179.60 2k77 h GLY 37 N 0.91 1.03 0.77 0.83 0.00 -0.66 -0.26 103.07 105.70 2k77 h GLY 37 Ca 0.31 -0.35 0.01 0.00 0.00 0.00 0.00 47.33 47.30 2k77 h GLY 37 CO -0.12 0.30 -0.15 1.41 0.00 0.00 0.00 176.54 177.97 2k77 h LEU 38 N 0.89 -0.42 -0.73 3.11 3.38 -0.61 -1.28 115.31 119.67 2k77 h LEU 38 Ca 0.28 0.05 -0.04 0.00 0.09 0.00 0.00 57.88 58.26 2k77 h LEU 38 Cb 0.00 0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k77 h LEU 38 CO -0.10 -0.23 -0.20 -0.37 0.09 0.00 0.00 178.44 177.63 2k77 h VAL 39 N -0.32 0.42 -0.05 1.22 -1.51 -1.18 -0.78 116.25 114.06 2k77 h VAL 39 Ca 0.01 -1.23 -0.14 0.00 -1.23 0.00 0.00 66.70 64.11 2k77 h VAL 39 Cb 0.32 1.91 -0.01 0.00 -2.13 0.00 0.00 31.29 31.37 2k77 h VAL 39 CO -0.06 0.20 -0.60 -0.09 -1.23 0.00 0.00 177.57 175.78 2k77 h ARG 40 N 0.00 0.18 0.01 5.19 2.43 -0.95 -3.24 114.38 118.01 2k77 h ARG 40 Ca -0.00 -0.13 -0.00 0.00 -0.81 0.00 0.00 59.98 59.04 2k77 h ARG 40 Cb 0.89 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2k77 h ARG 40 CO 0.03 0.73 -0.00 1.49 -1.51 0.00 0.00 179.97 180.70 2k77 h GLU 41 N 0.14 -0.01 0.00 0.20 4.22 -0.91 -3.48 114.58 114.74 2k77 h GLU 41 Ca -0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.43 2k77 h GLU 41 Cb 1.10 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.35 2k77 h GLU 41 CO 0.09 0.50 0.00 0.41 -2.18 0.00 0.00 179.01 177.83 2k77 n GLY 42 N 0.31 1.36 0.00 1.92 0.00 -0.33 -4.71 105.19 103.74 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 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -2.00 3.28 -1.06 1.61 0.00 -1.26 -4.35 120.64 116.86 2k77 n GLU 43 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 57.16 56.84 2k77 n GLU 43 Cb 0.00 -0.55 0.13 0.00 0.00 0.00 0.00 31.44 31.02 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.13 177.33 2k77 s GLY 44 N -0.89 1.92 0.28 8.31 0.00 -1.26 -4.72 107.32 110.96 2k77 s GLY 44 Ca 0.00 0.64 0.02 0.00 0.00 0.00 0.00 44.72 45.38 2k77 s GLY 44 CO 0.00 1.04 1.79 -2.22 0.00 0.00 0.00 173.10 173.71 2k77 h ILE 45 N -1.18 0.78 -0.38 0.90 1.08 -1.95 -0.95 117.51 115.81 2k77 h ILE 45 Ca -0.45 -0.26 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 2k77 h ILE 45 Cb 1.27 -0.06 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 2k77 h ILE 45 CO 0.46 0.14 0.01 0.00 -0.69 0.00 0.00 178.15 178.07 2k77 h ALA 46 N 1.58 0.52 -0.49 1.87 0.00 -1.90 0.50 119.26 121.33 2k77 h ALA 46 Ca 0.51 -0.25 -0.09 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 46 Cb 0.68 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2k77 h ALA 46 CO -0.34 0.28 -0.05 0.00 0.00 0.00 0.00 179.25 179.14 2k77 h ALA 47 N 0.88 0.66 -0.76 0.00 0.00 -1.64 -0.20 119.26 118.21 2k77 h ALA 47 Ca 0.11 -0.31 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 2k77 h ALA 47 Cb 0.46 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.04 2k77 h ALA 47 CO 0.02 0.52 0.43 0.87 0.00 0.00 0.00 179.25 181.08 2k77 h LYS 48 N 0.75 1.04 -0.53 0.00 1.57 -1.18 -1.84 116.57 116.38 2k77 h LYS 48 Ca 0.13 -0.10 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 2k77 h LYS 48 Cb 0.59 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.67 2k77 h LYS 48 CO 0.04 0.75 -0.11 0.00 -0.57 0.00 0.00 179.45 179.55 2k77 h ALA 49 N 1.42 0.73 -0.18 3.86 0.00 -0.49 -0.07 119.26 124.54 2k77 h ALA 49 Ca 0.27 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.84 2k77 h ALA 49 Cb -0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 2k77 h ALA 49 CO -0.05 0.64 0.07 -0.07 0.00 0.00 0.00 179.25 179.85 2k77 h LEU 50 N 0.88 0.09 -1.04 0.00 3.38 -0.80 -2.02 115.31 115.80 2k77 h LEU 50 Ca 0.14 0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 50 Cb 0.68 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2k77 h LEU 50 CO 0.05 0.08 -0.34 1.56 0.09 0.00 0.00 178.44 179.88 2k77 h GLN 51 N 0.16 0.25 -0.22 1.13 7.50 -1.25 -2.61 115.11 120.07 2k77 h GLN 51 Ca 0.07 -0.10 -0.04 0.00 0.50 0.00 0.00 58.65 59.08 2k77 h GLN 51 Cb 0.04 -0.01 -0.01 0.00 0.05 0.00 0.00 27.48 27.54 2k77 h GLN 51 CO -0.07 0.57 -0.05 0.00 -1.50 0.00 0.00 178.83 177.78 2k77 h ALA 52 N 1.43 1.50 0.00 3.87 0.00 -0.75 -1.58 119.26 123.73 2k77 h ALA 52 Ca 0.03 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 54.76 2k77 h ALA 52 Cb 0.71 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.39 2k77 h ALA 52 CO 0.05 0.36 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.30 0.00 0.00 0.00 4.77 -0.78 -4.87 117.00 111.81 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 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 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 0.35 0.73 2.35 -0.72 0.00 -0.59 -5.00 105.19 102.31 2k77 n GLY 54 Ca 0.07 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.91 2k77 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k77 n LEU 55 N 0.00 0.00 -3.51 0.99 4.77 -1.01 -5.00 117.00 113.24 2k77 n LEU 55 Ca 0.00 -0.89 -0.11 0.00 -0.03 0.00 0.00 56.01 54.99 2k77 n LEU 55 Cb 0.00 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 40.43 2k77 n LEU 55 CO 0.00 -1.11 0.62 -0.83 -1.33 0.00 0.00 177.39 174.74 2k77 s GLY 56 N -4.74 -0.47 0.18 -0.72 0.00 -1.26 -4.42 107.32 95.89 2k77 s GLY 56 Ca 0.46 1.17 -0.13 0.00 0.00 0.00 0.00 44.72 46.22 2k77 s GLY 56 CO 0.32 0.54 1.78 1.76 0.00 0.00 0.00 173.10 177.50 2k77 h SER 57 N 2.26 0.36 -0.50 1.64 0.02 -1.98 -2.01 113.55 113.34 2k77 h SER 57 Ca -0.24 0.03 -0.02 0.00 -0.84 0.00 0.00 61.79 60.72 2k77 h SER 57 Cb 1.22 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.70 2k77 h SER 57 CO 0.33 0.25 0.25 -0.08 -1.14 0.00 0.00 176.83 176.44 2k77 h GLU 58 N 0.50 0.71 -0.39 3.45 4.81 -1.97 -0.37 114.58 121.31 2k77 h GLU 58 Ca 0.23 -0.10 0.04 0.00 -0.13 0.00 0.00 59.36 59.40 2k77 h GLU 58 Cb 0.14 -0.13 -0.04 0.00 0.63 0.00 0.00 28.75 29.35 2k77 h GLU 58 CO -0.16 0.58 0.16 0.87 -0.73 0.00 0.00 179.01 179.74 2k77 h LYS 59 N 0.66 0.33 -0.08 1.92 1.57 -1.84 -0.95 116.57 118.18 2k77 h LYS 59 Ca 0.17 -0.02 -0.04 0.00 -1.87 0.00 0.00 60.65 58.89 2k77 h LYS 59 Cb 0.10 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2k77 h LYS 59 CO -0.02 0.22 -0.12 0.82 -0.57 0.00 0.00 179.45 179.78 2k77 h ILE 60 N 0.34 1.39 -0.66 1.86 2.04 -1.24 -2.89 117.51 118.35 2k77 h ILE 60 Ca 0.17 -1.37 -0.08 0.00 1.00 0.00 0.00 64.86 64.59 2k77 h ILE 60 Cb 0.12 2.12 -0.03 0.00 -0.74 0.00 0.00 36.82 38.30 2k77 h ILE 60 CO -0.15 0.38 0.11 1.56 0.00 0.00 0.00 178.15 180.04 2k77 h GLN 61 N -0.24 1.09 -0.48 2.37 4.20 -0.96 -1.49 115.11 119.59 2k77 h GLN 61 Ca 0.01 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 2k77 h GLN 61 Cb 0.67 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.30 2k77 h GLN 61 CO 0.03 1.00 0.30 0.87 -0.67 0.00 0.00 178.83 180.35 2k77 h LYS 62 N 1.02 0.65 0.00 1.46 1.57 -1.25 -0.20 116.57 119.82 2k77 h LYS 62 Ca 0.20 -0.06 -0.07 0.00 -1.87 0.00 0.00 60.65 58.85 2k77 h LYS 62 Cb 0.44 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.60 2k77 h LYS 62 CO 0.01 0.47 -0.35 0.93 -0.57 0.00 0.00 179.45 179.94 2k77 h GLU 63 N 0.65 0.00 0.16 3.15 4.39 -1.26 -0.86 114.58 120.81 2k77 h GLU 63 Ca 0.17 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 2k77 h GLU 63 Cb -0.02 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.63 2k77 h GLU 63 CO -0.03 0.35 -0.08 0.28 -1.16 0.00 0.00 179.01 178.37 2k77 h VAL 64 N 0.00 0.92 0.00 3.13 2.07 -1.09 -3.37 116.25 117.92 2k77 h VAL 64 Ca -0.00 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.47 2k77 h VAL 64 Cb 0.71 1.49 -0.00 0.00 -1.52 0.00 0.00 31.29 31.97 2k77 h VAL 64 CO 0.05 0.22 -0.04 -0.33 0.02 0.00 0.00 177.57 177.48 2k77 h GLU 65 N -0.78 0.00 0.00 1.57 5.08 -0.86 -1.00 114.58 118.59 2k77 h GLU 65 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2k77 h GLU 65 Cb 0.52 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.77 2k77 h GLU 65 CO 0.04 0.04 0.00 0.66 -1.00 0.00 0.00 179.01 178.75 2k77 h SER 66 N 0.00 0.00 0.00 1.42 4.64 -1.32 -1.22 113.55 117.08 2k77 h SER 66 Ca -0.00 0.00 -0.34 0.00 -0.47 0.00 0.00 61.79 60.98 2k77 h SER 66 Cb 0.65 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.69 2k77 h SER 66 CO 0.01 0.00 -2.22 0.18 -0.87 0.00 0.00 176.83 173.92 2k77 n LEU 67 N -2.30 2.43 -0.71 5.97 4.77 -0.48 -4.75 117.00 121.93 2k77 n LEU 67 Ca 0.02 0.04 0.10 0.00 -0.03 0.00 0.00 56.01 56.14 2k77 n LEU 67 Cb 0.23 -0.71 0.06 0.00 -2.33 0.00 0.00 43.42 40.67 2k77 n LEU 67 CO 0.20 0.70 0.49 2.30 -1.33 0.00 0.00 177.39 179.75 2k77 n ILE 68 N -3.47 0.00 0.98 -0.08 -5.35 -0.57 -4.73 119.36 106.14 2k77 n ILE 68 Ca -0.40 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 61.64 2k77 n ILE 68 Cb 0.86 1.37 0.01 0.00 -1.74 0.00 0.00 39.64 40.15 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 1.20 -0.49 0.25 3.28 0.00 -0.46 -3.86 105.19 105.11 2k77 n GLY 69 Ca 0.11 -0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.24 2k77 n GLY 69 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2k77 h ARG 70 N 0.00 0.00 -0.75 1.61 0.11 -1.84 -3.50 114.38 110.00 2k77 h ARG 70 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 2k77 h ARG 70 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 2k77 h ARG 70 CO 0.00 0.17 -0.18 0.41 0.10 0.00 0.00 179.97 180.46 2k77 n GLY 71 N -0.44 -3.34 2.67 0.08 0.00 -1.25 -5.06 105.19 97.86 2k77 n GLY 71 Ca -0.01 -1.06 -0.09 0.00 0.00 0.00 0.00 46.02 44.85 2k77 n GLY 71 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2k77 n GLN 72 N -0.93 0.63 -3.70 1.61 10.64 -0.13 -5.02 117.38 120.48 2k77 n GLN 72 Ca 0.00 -2.11 -0.35 0.00 -1.83 0.00 0.00 57.00 52.71 2k77 n GLN 72 Cb 0.00 -1.46 -0.08 0.00 -0.86 0.00 0.00 30.24 27.83 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.83 0.00 0.00 177.06 173.23 2k77 s GLU 73 N 0.55 4.16 0.00 2.61 2.12 -1.04 -3.01 118.70 124.10 2k77 s GLU 73 Ca 0.32 -0.22 0.00 0.00 0.36 0.00 0.00 54.97 55.43 2k77 s GLU 73 Cb 0.12 -3.45 0.00 0.00 0.26 0.00 0.00 34.13 31.05 2k77 s GLU 73 CO -0.15 0.23 0.31 -1.33 -0.54 0.00 0.00 175.26 173.78 2k77 n MET 74 N 3.75 0.97 -3.60 4.30 2.81 -1.26 -5.01 117.12 119.07 2k77 n MET 74 Ca -0.16 -0.31 -0.26 0.00 -1.81 0.00 0.00 57.70 55.16 2k77 n MET 74 Cb 0.52 -0.80 0.04 0.00 -0.71 0.00 0.00 33.22 32.28 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 -0.23 -4.72 -3.99 7.83 2.88 -1.26 -5.02 113.62 109.11 2k77 n SER 75 Ca 0.00 -0.92 -0.09 0.00 -1.33 0.00 0.00 58.87 56.53 2k77 n SER 75 Cb 0.03 -3.87 -0.11 0.00 -0.75 0.00 0.00 64.21 59.51 2k77 n SER 75 CO 0.00 0.00 0.00 -1.58 -1.23 0.00 0.00 175.04 172.23 2k77 s GLN 76 N -5.67 0.35 0.43 -1.46 0.74 -1.26 -5.15 119.66 107.64 2k77 s GLN 76 Ca 0.38 -0.68 -0.25 0.00 0.05 0.00 0.00 55.36 54.86 2k77 s GLN 76 Cb -0.11 0.11 -0.10 0.00 1.10 0.00 0.00 33.01 34.02 2k77 s GLN 76 CO 0.83 -0.06 1.23 2.41 -0.55 0.00 0.00 175.29 179.16 2k77 n THR 77 N 1.43 2.63 -1.98 -0.34 -1.04 -1.26 -4.83 114.28 108.89 2k77 n THR 77 Ca -0.23 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 60.88 2k77 n THR 77 Cb 0.56 -1.50 -0.00 0.00 -1.82 0.00 0.00 70.33 67.56 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 2k77 s ILE 78 N -1.22 2.45 0.07 12.58 1.09 -1.26 -4.91 121.20 130.00 2k77 s ILE 78 Ca 0.62 0.41 0.10 0.00 -1.10 0.00 0.00 60.65 60.67 2k77 s ILE 78 Cb -0.51 -3.24 -0.03 0.00 -1.06 0.00 0.00 42.46 37.62 2k77 s ILE 78 CO 0.57 0.06 -0.26 -1.00 -0.10 0.00 0.00 174.94 174.21 2k77 s HIS 79 N -1.23 2.28 0.08 3.97 3.76 -1.21 -4.98 115.29 117.97 2k77 s HIS 79 Ca 0.57 -0.40 -0.23 0.00 -0.15 0.00 0.00 55.06 54.85 2k77 s HIS 79 Cb -0.40 -1.32 -0.07 0.00 1.11 0.00 0.00 32.58 31.90 2k77 s HIS 79 CO 0.52 0.19 0.69 0.71 -0.85 0.00 0.00 174.74 175.99 2k77 s TYR 80 N -0.89 3.80 0.86 1.40 1.51 -1.26 -0.76 117.35 122.02 2k77 s TYR 80 Ca 0.12 1.42 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2k77 s TYR 80 Cb -0.10 -2.68 0.11 0.00 -0.11 0.00 0.00 41.96 39.18 2k77 s TYR 80 CO 0.03 0.45 1.09 0.95 -1.11 0.00 0.00 175.55 176.96 2k77 s THR 81 N -0.70 2.84 0.42 -0.71 -4.23 -0.46 -4.77 115.64 108.02 2k77 s THR 81 Ca 0.34 0.27 0.12 0.00 -1.18 0.00 0.00 61.69 61.24 2k77 s THR 81 Cb -0.21 -2.72 0.32 0.00 1.34 0.00 0.00 72.50 71.24 2k77 s THR 81 CO 0.22 -0.36 1.96 -0.65 -0.54 0.00 0.00 174.62 175.25 2k77 h PRO 82 N -1.45 0.47 -0.34 3.99 0.11 -1.98 0.10 132.00 132.91 2k77 h PRO 82 Ca -0.47 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.50 2k77 h PRO 82 Cb 1.27 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2k77 h PRO 82 CO 0.53 0.31 -0.23 0.00 -0.21 0.00 0.00 178.00 178.40 2k77 h ARG 83 N 0.49 0.75 -0.48 1.05 3.08 -1.95 -0.78 114.38 116.54 2k77 h ARG 83 Ca 0.30 -0.35 -0.13 0.00 0.07 0.00 0.00 59.98 59.87 2k77 h ARG 83 Cb 0.54 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 2k77 h ARG 83 CO -0.09 0.97 -0.22 0.00 -1.07 0.00 0.00 179.97 179.56 2k77 h ALA 84 N 0.76 0.70 -0.48 0.04 0.00 -1.68 -1.37 119.26 117.23 2k77 h ALA 84 Ca 0.07 -0.39 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2k77 h ALA 84 Cb 0.78 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 84 CO 0.06 0.67 0.32 -0.22 0.00 0.00 0.00 179.25 180.08 2k77 h LYS 85 N 0.85 0.63 -0.51 0.00 3.64 -0.79 0.12 116.57 120.52 2k77 h LYS 85 Ca 0.11 -0.04 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 2k77 h LYS 85 Cb 0.80 -0.14 -0.04 0.00 -0.41 0.00 0.00 32.23 32.43 2k77 h LYS 85 CO 0.07 0.42 0.27 0.87 -2.27 0.00 0.00 179.45 178.80 2k77 h LYS 86 N 0.65 0.51 -0.44 1.90 1.57 -1.05 -1.18 116.57 118.54 2k77 h LYS 86 Ca 0.18 -0.03 0.01 0.00 -1.87 0.00 0.00 60.65 58.94 2k77 h LYS 86 Cb -0.07 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.10 2k77 h LYS 86 CO -0.04 0.34 0.28 0.28 -0.57 0.00 0.00 179.45 179.73 2k77 h VAL 87 N 0.53 1.08 -0.57 0.50 2.07 -0.82 -0.16 116.25 118.88 2k77 h VAL 87 Ca 0.22 -0.19 -0.03 0.00 0.82 0.00 0.00 66.70 67.52 2k77 h VAL 87 Cb 0.10 0.47 -0.03 0.00 -1.52 0.00 0.00 31.29 30.32 2k77 h VAL 87 CO -0.14 0.10 0.26 0.40 0.02 0.00 0.00 177.57 178.21 2k77 h ILE 88 N 0.56 1.21 -0.54 4.57 1.08 -0.65 0.14 117.51 123.88 2k77 h ILE 88 Ca 0.17 -0.63 -0.11 0.00 -0.39 0.00 0.00 64.86 63.90 2k77 h ILE 88 Cb -0.03 0.56 -0.02 0.00 -3.07 0.00 0.00 36.82 34.26 2k77 h ILE 88 CO -0.05 0.25 -0.09 -0.33 -0.69 0.00 0.00 178.15 177.24 2k77 h GLU 89 N 0.78 1.02 -0.40 2.37 5.08 -1.11 -2.92 114.58 119.41 2k77 h GLU 89 Ca 0.19 -0.37 -0.06 0.00 -1.00 0.00 0.00 59.36 58.12 2k77 h GLU 89 Cb 0.15 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.31 2k77 h GLU 89 CO -0.02 1.06 -0.02 -0.07 -1.00 0.00 0.00 179.01 178.96 2k77 h LEU 90 N 0.90 0.61 -0.64 1.33 3.38 -0.76 -2.23 115.31 117.90 2k77 h LEU 90 Ca 0.14 -0.14 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 90 Cb 0.65 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 90 CO 0.05 0.70 0.35 0.28 0.09 0.00 0.00 178.44 179.90 2k77 h SER 91 N 0.61 0.79 0.85 -0.43 0.02 -0.53 0.86 113.55 115.72 2k77 h SER 91 Ca 0.12 -0.09 -0.17 0.00 -0.84 0.00 0.00 61.79 60.81 2k77 h SER 91 Cb 0.41 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 62.73 2k77 h SER 91 CO 0.02 0.66 -0.80 0.00 -1.14 0.00 0.00 176.83 175.56 2k77 h MET 92 N 0.87 0.00 -0.50 3.45 -0.00 -1.51 -1.72 114.93 115.51 2k77 h MET 92 Ca 0.22 0.00 -0.12 0.00 -0.00 0.00 0.00 59.70 59.80 2k77 h MET 92 Cb 0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 31.60 31.62 2k77 h MET 92 CO -0.04 0.80 -0.17 0.22 -0.00 0.00 0.00 176.91 177.73 2k77 h ASP 93 N 0.00 1.02 -0.26 -0.10 3.58 -1.00 -2.36 116.42 117.31 2k77 h ASP 93 Ca -0.01 -0.38 -0.10 0.00 0.42 0.00 0.00 57.03 56.97 2k77 h ASP 93 Cb 1.44 -0.28 -0.00 0.00 1.72 0.00 0.00 39.33 42.20 2k77 h ASP 93 CO 0.10 1.17 -0.22 -0.33 -2.88 0.00 0.00 179.24 177.08 2k77 h GLU 94 N 0.87 0.60 -0.69 0.28 4.39 -0.87 -2.99 114.58 116.18 2k77 h GLU 94 Ca 0.12 -0.31 0.10 0.00 0.34 0.00 0.00 59.36 59.61 2k77 h GLU 94 Cb 0.74 0.01 -0.07 0.00 -0.10 0.00 0.00 28.75 29.33 2k77 h GLU 94 CO 0.06 0.90 0.32 0.00 -1.16 0.00 0.00 179.01 179.13 2k77 h ALA 95 N 0.69 0.93 -0.58 3.43 0.00 -1.28 -1.67 119.26 120.78 2k77 h ALA 95 Ca 0.04 0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.98 2k77 h ALA 95 Cb 0.78 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 2k77 h ALA 95 CO 0.06 -0.10 0.21 -0.09 0.00 0.00 0.00 179.25 179.33 2k77 h ARG 96 N 0.54 0.86 -0.11 0.00 2.43 -1.41 -0.50 114.38 116.18 2k77 h ARG 96 Ca 0.34 -0.14 -0.10 0.00 -0.81 0.00 0.00 59.98 59.27 2k77 h ARG 96 Cb 0.39 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.78 2k77 h ARG 96 CO -0.29 0.72 -0.36 0.87 -1.51 0.00 0.00 179.97 179.41 2k77 h LYS 97 N 0.84 0.23 -0.08 0.20 1.57 -1.17 -1.78 116.57 116.39 2k77 h LYS 97 Ca 0.20 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2k77 h LYS 97 Cb 0.20 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.50 2k77 h LYS 97 CO -0.01 0.56 0.00 1.28 -0.57 0.00 0.00 179.45 180.71 2k77 n LEU 98 N -4.07 0.61 0.00 2.94 7.99 -0.87 -4.93 117.00 118.67 2k77 n LEU 98 Ca -0.01 -0.27 0.00 0.00 -0.01 0.00 0.00 56.01 55.72 2k77 n LEU 98 Cb 0.44 -0.05 0.00 0.00 -0.11 0.00 0.00 43.42 43.70 2k77 n LEU 98 CO 0.41 0.14 0.00 0.61 -1.51 0.00 0.00 177.39 177.04 2k77 n GLY 99 N 0.85 0.53 3.80 -0.72 0.00 -0.67 -5.05 105.19 103.93 2k77 n GLY 99 Ca 0.12 -0.22 -0.38 0.00 0.00 0.00 0.00 46.02 45.54 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 3.73 -1.20 1.61 3.76 -0.23 -4.97 115.29 115.99 2k77 s HIS 100 Ca 0.00 1.11 0.08 0.00 -0.15 0.00 0.00 55.06 56.10 2k77 s HIS 100 Cb 0.00 -2.44 0.34 0.00 1.11 0.00 0.00 32.58 31.60 2k77 s HIS 100 CO 0.00 0.53 1.14 -1.13 -0.85 0.00 0.00 174.74 174.43 2k77 n SER 101 N 2.11 2.61 -3.65 1.40 3.41 -1.26 -3.30 113.62 114.94 2k77 n SER 101 Ca -0.11 -2.25 -0.15 0.00 -0.26 0.00 0.00 58.87 56.09 2k77 n SER 101 Cb 0.51 -0.44 -0.08 0.00 -0.26 0.00 0.00 64.21 63.95 2k77 n SER 101 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 2k77 s TYR 102 N -1.70 -0.45 -0.37 7.33 -0.85 -1.23 -4.17 117.35 115.91 2k77 s TYR 102 Ca 0.24 0.82 -0.24 0.00 -0.52 0.00 0.00 57.07 57.37 2k77 s TYR 102 Cb 0.16 0.24 0.01 0.00 0.38 0.00 0.00 41.96 42.76 2k77 s TYR 102 CO 0.10 -0.46 0.85 0.08 -1.52 0.00 0.00 175.55 174.60 2k77 s VAL 103 N -1.00 4.66 0.77 -3.49 1.01 0.58 -4.88 120.40 118.04 2k77 s VAL 103 Ca -0.10 1.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.81 2k77 s VAL 103 Cb -0.03 -4.27 0.10 0.00 0.00 0.00 0.00 36.38 32.18 2k77 s VAL 103 CO 0.06 -0.49 1.09 -0.83 0.00 0.00 0.00 175.10 174.93 2k77 s GLY 104 N 1.87 1.70 0.30 4.51 0.00 -1.26 -1.38 107.32 113.07 2k77 s GLY 104 Ca 0.35 -1.04 0.01 0.00 0.00 0.00 0.00 44.72 44.04 2k77 s GLY 104 CO 0.18 -0.53 1.92 -0.91 0.00 0.00 0.00 173.10 173.76 2k77 h THR 105 N -0.85 1.08 -0.51 0.90 1.35 -1.93 -1.57 112.91 111.37 2k77 h THR 105 Ca -0.44 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.18 2k77 h THR 105 Cb 1.30 -0.04 -0.10 0.00 -1.73 0.00 0.00 68.15 67.58 2k77 h THR 105 CO 0.54 0.19 -0.18 1.05 -0.25 0.00 0.00 175.52 176.87 2k77 h GLU 106 N 1.02 -0.06 0.00 4.72 9.09 -1.94 -1.82 114.58 125.59 2k77 h GLU 106 Ca 0.38 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.67 2k77 h GLU 106 Cb 0.18 0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.27 2k77 h GLU 106 CO -0.14 -0.04 -0.58 0.45 0.05 0.00 0.00 179.01 178.75 2k77 h HIS 107 N -0.06 0.00 -0.27 2.06 3.86 -1.65 -1.35 115.15 117.74 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 0.43 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2k77 h HIS 107 CO -0.47 0.58 0.16 0.82 0.86 0.00 0.00 177.93 179.88 2k77 h ILE 108 N 0.00 1.10 -0.48 2.45 2.04 -0.89 -0.92 117.51 120.81 2k77 h ILE 108 Ca -0.01 -0.25 -0.04 0.00 1.00 0.00 0.00 64.86 65.56 2k77 h ILE 108 Cb 1.09 0.79 -0.02 0.00 -0.74 0.00 0.00 36.82 37.94 2k77 h ILE 108 CO 0.08 0.10 0.14 0.25 0.00 0.00 0.00 178.15 178.72 2k77 h LEU 109 N 0.33 0.71 -1.43 1.44 5.85 -1.00 -0.82 115.31 120.39 2k77 h LEU 109 Ca 0.10 -0.22 0.09 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 109 Cb 0.03 -0.19 -0.05 0.00 0.37 0.00 0.00 40.66 40.82 2k77 h LEU 109 CO -0.02 0.74 0.48 -0.07 -0.34 0.00 0.00 178.44 179.23 2k77 h LEU 110 N 0.65 0.58 -0.09 2.25 3.38 -1.15 -1.49 115.31 119.45 2k77 h LEU 110 Ca 0.15 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 110 Cb 0.29 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.93 2k77 h LEU 110 CO -0.00 0.35 0.04 1.23 0.09 0.00 0.00 178.44 180.15 2k77 h GLY 111 N 0.65 0.14 0.70 0.83 0.00 -0.49 -1.48 103.07 103.41 2k77 h GLY 111 Ca 0.33 -0.07 0.04 0.00 0.00 0.00 0.00 47.33 47.64 2k77 h GLY 111 CO -0.12 0.07 0.17 1.41 0.00 0.00 0.00 176.54 178.07 2k77 h LEU 112 N 0.02 0.21 -0.36 3.11 3.38 -0.21 -1.72 115.31 119.75 2k77 h LEU 112 Ca 0.03 0.04 -0.19 0.00 0.09 0.00 0.00 57.88 57.85 2k77 h LEU 112 Cb 0.12 0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.88 2k77 h LEU 112 CO -0.00 0.16 -0.69 0.16 0.09 0.00 0.00 178.44 178.16 2k77 h ILE 113 N 0.35 1.33 0.00 1.22 3.07 -1.37 -3.29 117.51 118.81 2k77 h ILE 113 Ca 0.18 -1.98 -0.05 0.00 1.55 0.00 0.00 64.86 64.56 2k77 h ILE 113 Cb 0.14 1.96 -0.01 0.00 -0.27 0.00 0.00 36.82 38.64 2k77 h ILE 113 CO -0.17 0.61 -0.25 -0.09 -1.05 0.00 0.00 178.15 177.21 2k77 h ARG 114 N 0.41 0.00 -0.46 0.16 2.43 -1.01 -2.80 114.38 113.12 2k77 h ARG 114 Ca -0.02 0.00 -0.07 0.00 -0.81 0.00 0.00 59.98 59.08 2k77 h ARG 114 Cb 1.27 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.80 2k77 h ARG 114 CO 0.13 0.25 0.01 1.49 -1.51 0.00 0.00 179.97 180.34 2k77 h GLU 115 N 0.00 0.80 0.00 0.20 4.22 -1.40 -3.47 114.58 114.92 2k77 h GLU 115 Ca -0.00 -0.25 0.00 0.00 0.08 0.00 0.00 59.36 59.19 2k77 h GLU 115 Cb 0.90 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.07 2k77 h GLU 115 CO 0.03 0.85 0.00 0.41 -2.18 0.00 0.00 179.01 178.12 2k77 n GLY 116 N -0.40 1.33 0.01 1.92 0.00 -1.06 -4.71 105.19 102.28 2k77 n GLY 116 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.02 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N -2.00 2.31 -0.88 1.61 4.07 -1.26 -4.82 120.64 119.67 2k77 n GLU 117 Ca 0.00 -0.01 -0.32 0.00 -0.06 0.00 0.00 57.16 56.77 2k77 n GLU 117 Cb 0.00 -1.10 0.15 0.00 -0.06 0.00 0.00 31.44 30.43 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k77 s GLY 118 N -3.13 1.81 0.36 8.31 0.00 -1.26 -4.82 107.32 108.59 2k77 s GLY 118 Ca -0.02 0.62 0.09 0.00 0.00 0.00 0.00 44.72 45.42 2k77 s GLY 118 CO 0.16 1.03 1.89 -2.08 0.00 0.00 0.00 173.10 174.10 2k77 h VAL 119 N -1.52 0.86 -0.41 1.40 2.07 -1.97 -2.36 116.25 114.32 2k77 h VAL 119 Ca -0.44 -0.23 0.04 0.00 0.82 0.00 0.00 66.70 66.89 2k77 h VAL 119 Cb 1.27 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 119 CO 0.44 0.12 0.18 0.00 0.02 0.00 0.00 177.57 178.33 2k77 h ALA 120 N 1.60 0.50 -0.36 1.67 0.00 -1.92 0.32 119.26 121.08 2k77 h ALA 120 Ca 0.42 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.26 2k77 h ALA 120 Cb 0.65 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 2k77 h ALA 120 CO -0.18 -0.20 -0.17 0.00 0.00 0.00 0.00 179.25 178.71 2k77 h ALA 121 N 1.24 1.04 -0.44 0.00 0.00 -1.61 -2.78 119.26 116.71 2k77 h ALA 121 Ca 0.18 -0.33 -0.13 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 121 Cb 0.13 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2k77 h ALA 121 CO -0.16 0.58 -0.25 -0.09 0.00 0.00 0.00 179.25 179.34 2k77 h ARG 122 N 0.59 0.93 -0.28 0.00 2.43 -1.16 -2.29 114.38 114.61 2k77 h ARG 122 Ca 0.10 -0.42 0.02 0.00 -0.81 0.00 0.00 59.98 58.87 2k77 h ARG 122 Cb 0.62 -0.02 -0.03 0.00 -0.42 0.00 0.00 29.97 30.13 2k77 h ARG 122 CO 0.04 1.08 0.11 0.28 -1.51 0.00 0.00 179.97 179.98 2k77 h VAL 123 N 0.77 0.95 -0.80 0.20 2.07 -0.94 -0.60 116.25 117.90 2k77 h VAL 123 Ca 0.09 -0.09 -0.01 0.00 0.82 0.00 0.00 66.70 67.51 2k77 h VAL 123 Cb 0.82 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 2k77 h VAL 123 CO 0.07 0.05 0.44 -0.07 0.02 0.00 0.00 177.57 178.08 2k77 h LEU 124 N 0.25 1.00 -0.96 2.57 3.38 -1.39 -1.20 115.31 118.96 2k77 h LEU 124 Ca 0.12 -0.09 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 124 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.55 2k77 h LEU 124 CO -0.11 0.80 -0.34 0.78 0.09 0.00 0.00 178.44 179.66 2k77 h ASN 125 N 1.11 0.34 -0.55 -0.43 2.35 -1.18 0.14 115.58 117.36 2k77 h ASN 125 Ca 0.28 -0.13 -0.08 0.00 -0.55 0.00 0.00 56.30 55.83 2k77 h ASN 125 Cb 0.02 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.28 2k77 h ASN 125 CO -0.05 0.67 0.04 0.78 -1.65 0.00 0.00 177.43 177.22 2k77 h ASN 126 N 0.28 0.92 0.50 5.81 4.21 -0.63 -3.19 115.58 123.48 2k77 h ASN 126 Ca 0.03 -0.29 -0.15 0.00 1.21 0.00 0.00 56.30 57.11 2k77 h ASN 126 Cb 0.74 -0.25 -0.01 0.00 -1.12 0.00 0.00 38.32 37.68 2k77 h ASN 126 CO 0.06 0.98 -0.66 -0.07 -1.29 0.00 0.00 177.43 176.45 2k77 h LEU 127 N 0.83 0.17 0.00 1.61 3.38 -1.00 -3.48 115.31 116.82 2k77 h LEU 127 Ca 0.16 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 127 Cb 0.48 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 127 CO 0.02 0.78 0.00 0.61 0.09 0.00 0.00 178.44 179.94 2k77 n GLY 128 N 0.39 0.43 3.79 0.83 0.00 -0.20 -5.10 105.19 105.33 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 -1.41 4.35 0.39 1.61 1.01 -0.14 -4.95 120.40 121.27 2k77 s VAL 129 Ca 0.00 1.63 0.08 0.00 0.00 0.00 0.00 61.98 63.69 2k77 s VAL 129 Cb 0.00 -3.97 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2k77 s VAL 129 CO 0.00 0.20 0.18 -0.94 0.00 0.00 0.00 175.10 174.54 2k77 s SER 130 N -1.59 4.51 0.22 3.32 1.04 -1.26 -3.02 113.70 116.92 2k77 s SER 130 Ca 0.46 -0.98 -0.10 0.00 0.48 0.00 0.00 55.95 55.82 2k77 s SER 130 Cb -0.18 -0.54 0.32 0.00 0.10 0.00 0.00 66.02 65.72 2k77 s SER 130 CO 0.23 -0.48 1.68 0.25 0.98 0.00 0.00 173.24 175.90 2k77 h LEU 131 N 1.44 -0.12 0.00 2.42 6.46 -1.96 -1.32 115.31 122.23 2k77 h LEU 131 Ca -0.43 0.13 -0.17 0.00 -0.12 0.00 0.00 57.88 57.29 2k77 h LEU 131 Cb 1.25 0.21 -0.03 0.00 -0.73 0.00 0.00 40.66 41.37 2k77 h LEU 131 CO 0.67 -0.05 -0.85 0.78 -0.62 0.00 0.00 178.44 178.37 2k77 h ASN 132 N 0.19 0.00 -0.22 1.25 2.35 -1.98 -1.49 115.58 115.68 2k77 h ASN 132 Ca 0.33 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 56.01 2k77 h ASN 132 Cb 0.53 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 2k77 h ASN 132 CO -0.47 0.81 -0.15 0.11 -1.65 0.00 0.00 177.43 176.07 2k77 h LYS 133 N 0.00 0.50 -0.45 0.81 1.79 -1.89 -1.63 116.57 115.69 2k77 h LYS 133 Ca -0.02 -0.24 -0.05 0.00 -2.18 0.00 0.00 60.65 58.16 2k77 h LYS 133 Cb 1.63 -0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 32.26 2k77 h LYS 133 CO 0.10 0.80 0.08 0.00 -1.08 0.00 0.00 179.45 179.35 2k77 h ALA 134 N 0.69 0.60 -0.05 3.86 0.00 -1.31 -2.37 119.26 120.68 2k77 h ALA 134 Ca 0.04 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 134 Cb 0.68 -0.17 -0.05 0.00 0.00 0.00 0.00 17.79 18.24 2k77 h ALA 134 CO 0.04 0.32 -0.30 0.00 0.00 0.00 0.00 179.25 179.31 2k77 h ARG 135 N 0.61 -0.40 -0.73 0.00 3.08 -1.28 -1.51 114.38 114.15 2k77 h ARG 135 Ca 0.14 0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.17 2k77 h ARG 135 Cb 0.38 0.09 -0.03 0.00 0.08 0.00 0.00 29.97 30.49 2k77 h ARG 135 CO 0.01 -0.27 0.26 1.96 -1.07 0.00 0.00 179.97 180.86 2k77 h GLN 136 N -0.42 1.10 -0.32 0.04 4.20 -1.19 0.62 115.11 119.15 2k77 h GLN 136 Ca 0.07 -0.22 -0.17 0.00 0.06 0.00 0.00 58.65 58.40 2k77 h GLN 136 Cb 0.53 -0.17 -0.00 0.00 0.30 0.00 0.00 27.48 28.13 2k77 h GLN 136 CO -0.28 0.92 -0.47 1.96 -0.67 0.00 0.00 178.83 180.29 2k77 h GLN 137 N 1.06 0.87 -0.22 1.46 1.08 -1.36 -2.12 115.11 115.87 2k77 h GLN 137 Ca 0.24 -0.50 -0.07 0.00 -1.45 0.00 0.00 58.65 56.87 2k77 h GLN 137 Cb 0.25 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.72 2k77 h GLN 137 CO -0.01 1.14 -0.12 0.28 -0.95 0.00 0.00 178.83 179.17 2k77 h VAL 138 N 0.69 1.31 0.00 -0.54 2.07 -1.04 -0.28 116.25 118.45 2k77 h VAL 138 Ca 0.03 -1.20 -0.04 0.00 0.82 0.00 0.00 66.70 66.31 2k77 h VAL 138 Cb 1.07 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.46 2k77 h VAL 138 CO 0.11 0.37 -0.21 -0.07 0.02 0.00 0.00 177.57 177.79 2k77 h LEU 139 N 0.17 0.00 0.04 2.57 3.38 -0.93 -2.12 115.31 118.41 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 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2k77 h LEU 139 CO 0.03 0.21 -0.02 1.56 0.09 0.00 0.00 178.44 180.31 2k77 h GLN 140 N 0.00 -0.05 0.00 1.13 4.20 -1.33 -3.40 115.11 115.66 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 0.54 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.33 2k77 h GLN 140 CO 0.03 0.46 0.00 1.25 -0.67 0.00 0.00 178.83 179.90 2k77 h LEU 141 N -0.97 0.00 -0.25 1.46 5.85 -0.86 0.17 115.31 120.71 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 0.53 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.56 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 -2.99 0.15 0.00 2.25 -0.00 -0.81 -4.69 117.00 110.92 2k77 n LEU 142 Ca -0.00 0.55 0.00 0.00 -0.00 0.00 0.00 56.01 56.56 2k77 n LEU 142 Cb 0.24 -0.54 0.00 0.00 -0.00 0.00 0.00 43.42 43.12 2k77 n LEU 142 CO 0.24 -0.44 0.00 0.61 -0.00 0.00 0.00 177.39 177.80 2k77 n GLY 143 N -0.58 -0.26 0.00 1.47 0.00 -0.99 -5.06 105.19 99.77 2k77 n GLY 143 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.88 0.00 1.61 7.64 0.41 -5.12 113.62 119.05 2k77 n SER 144 Ca 0.00 -0.98 0.06 0.00 1.01 0.00 0.00 58.87 58.96 2k77 n SER 144 Cb 0.00 0.03 0.36 0.00 -1.01 0.00 0.00 64.21 63.60 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83