#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 0.52 -0.07 3.17 1.75 -1.26 -5.09 119.30 118.32 2k77 s MET 2 Ca 0.00 0.69 0.12 0.00 -1.25 0.00 0.00 55.69 55.25 2k77 s MET 2 Cb 0.00 0.21 -0.18 0.00 2.84 0.00 0.00 34.83 37.70 2k77 s MET 2 CO 0.00 -0.08 0.17 1.97 -0.65 0.00 0.00 175.02 176.42 2k77 n PHE 3 N 3.12 0.00 0.00 4.11 1.16 -1.26 -5.04 117.46 119.55 2k77 n PHE 3 Ca -0.15 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.43 2k77 n PHE 3 Cb 0.57 -0.48 0.00 0.00 -1.61 0.00 0.00 39.48 37.96 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 1.98 1.98 3.87 4.97 0.00 -1.26 -4.98 105.19 111.75 2k77 n GLY 4 Ca -0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.56 2k77 n GLY 4 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 5 N 0.00 3.76 0.26 1.61 3.52 -1.26 -5.00 118.95 121.83 2k77 s ARG 5 Ca 0.00 0.17 0.07 0.00 -0.13 0.00 0.00 55.73 55.84 2k77 s ARG 5 Cb 0.00 -2.92 -0.04 0.00 -1.56 0.00 0.00 34.95 30.44 2k77 s ARG 5 CO 0.00 0.50 0.20 -0.06 -0.81 0.00 0.00 175.30 175.13 2k77 s PHE 6 N -1.51 3.09 0.92 5.12 0.40 -1.26 -0.74 117.98 124.00 2k77 s PHE 6 Ca 0.37 -0.12 -0.12 0.00 -0.60 0.00 0.00 56.93 56.46 2k77 s PHE 6 Cb -0.13 -1.41 0.14 0.00 0.51 0.00 0.00 43.02 42.13 2k77 s PHE 6 CO 0.20 0.51 1.09 0.95 0.70 0.00 0.00 175.22 178.67 2k77 s THR 7 N -2.15 2.56 0.34 0.64 -4.23 -0.07 -4.75 115.64 107.99 2k77 s THR 7 Ca 0.33 0.18 0.05 0.00 -1.18 0.00 0.00 61.69 61.07 2k77 s THR 7 Cb -0.08 -2.65 0.14 0.00 1.34 0.00 0.00 72.50 71.26 2k77 s THR 7 CO 0.25 -0.24 1.86 -0.33 -0.54 0.00 0.00 174.62 175.62 2k77 h GLU 8 N -1.62 0.46 -0.08 3.99 3.07 -1.99 -0.17 114.58 118.23 2k77 h GLU 8 Ca -0.50 -0.11 -0.16 0.00 -0.50 0.00 0.00 59.36 58.09 2k77 h GLU 8 Cb 1.29 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.13 2k77 h GLU 8 CO 0.55 0.54 -0.65 0.00 -1.40 0.00 0.00 179.01 178.05 2k77 h ARG 9 N 0.43 0.32 -0.35 2.33 3.08 -1.96 -1.68 114.38 116.56 2k77 h ARG 9 Ca 0.09 -0.24 -0.14 0.00 0.07 0.00 0.00 59.98 59.76 2k77 h ARG 9 Cb 0.40 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.48 2k77 h ARG 9 CO 0.02 0.86 -0.32 0.00 -1.07 0.00 0.00 179.97 179.46 2k77 h ALA 10 N 1.08 0.51 -0.68 0.04 0.00 -1.80 -2.35 119.26 116.06 2k77 h ALA 10 Ca -0.01 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.50 2k77 h ALA 10 Cb 1.18 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 18.82 2k77 h ALA 10 CO 0.11 0.56 0.45 1.96 0.00 0.00 0.00 179.25 182.33 2k77 h GLN 11 N 0.63 0.83 -0.48 0.00 4.20 -0.99 -1.84 115.11 117.47 2k77 h GLN 11 Ca 0.06 -0.05 -0.02 0.00 0.06 0.00 0.00 58.65 58.70 2k77 h GLN 11 Cb 0.90 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.47 2k77 h GLN 11 CO 0.08 0.55 0.23 0.87 -0.67 0.00 0.00 178.83 179.89 2k77 h LYS 12 N 0.86 0.69 -0.66 1.46 1.57 -1.06 -0.18 116.57 119.25 2k77 h LYS 12 Ca 0.26 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.90 2k77 h LYS 12 Cb -0.00 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.15 2k77 h LYS 12 CO -0.07 0.58 0.23 -0.39 -0.57 0.00 0.00 179.45 179.24 2k77 h VAL 13 N 0.63 1.24 -0.04 0.50 -1.51 -0.88 -0.36 116.25 115.82 2k77 h VAL 13 Ca 0.16 -0.78 -0.17 0.00 -1.23 0.00 0.00 66.70 64.69 2k77 h VAL 13 Cb 0.12 0.48 -0.01 0.00 -2.13 0.00 0.00 31.29 29.75 2k77 h VAL 13 CO -0.02 0.31 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.84 2k77 h LEU 14 N 0.96 0.27 -0.35 4.19 3.38 -1.20 -0.19 115.31 122.37 2k77 h LEU 14 Ca 0.22 -0.18 -0.13 0.00 0.09 0.00 0.00 57.88 57.88 2k77 h LEU 14 Cb 0.23 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.89 2k77 h LEU 14 CO -0.01 0.90 -0.29 0.00 0.09 0.00 0.00 178.44 179.13 2k77 h ALA 15 N 1.10 0.50 -0.10 1.53 0.00 -0.84 -3.16 119.26 118.29 2k77 h ALA 15 Ca -0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2k77 h ALA 15 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2k77 h ALA 15 CO 0.11 0.53 -0.35 -0.07 0.00 0.00 0.00 179.25 179.47 2k77 h LEU 16 N 0.59 0.19 -1.62 0.00 3.38 -0.99 -2.89 115.31 113.98 2k77 h LEU 16 Ca 0.06 -0.07 0.01 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 16 Cb 0.86 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.54 2k77 h LEU 16 CO 0.07 0.54 0.27 0.00 0.09 0.00 0.00 178.44 179.41 2k77 h ALA 17 N 1.48 1.75 -0.26 1.53 0.00 -1.00 0.60 119.26 123.36 2k77 h ALA 17 Ca 0.02 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 17 Cb 0.70 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 17 CO 0.05 0.22 -0.13 0.37 0.00 0.00 0.00 179.25 179.76 2k77 h GLN 18 N 0.51 0.55 -0.34 0.00 4.15 -1.50 -1.38 115.11 117.10 2k77 h GLN 18 Ca 0.15 -0.24 -0.09 0.00 0.77 0.00 0.00 58.65 59.24 2k77 h GLN 18 Cb -0.00 -0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 2k77 h GLN 18 CO -0.04 0.81 -0.15 1.49 -1.93 0.00 0.00 178.83 179.01 2k77 h GLU 19 N 0.29 0.71 -0.31 1.69 4.81 -1.42 -1.62 114.58 118.73 2k77 h GLU 19 Ca 0.06 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 58.95 2k77 h GLU 19 Cb 0.64 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.98 2k77 h GLU 19 CO 0.04 0.91 0.07 0.93 -0.73 0.00 0.00 179.01 180.23 2k77 h GLU 20 N 0.49 0.45 0.25 1.92 4.39 -0.92 0.17 114.58 121.33 2k77 h GLU 20 Ca 0.08 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.70 2k77 h GLU 20 Cb 0.69 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2k77 h GLU 20 CO 0.05 0.43 -0.12 0.00 -1.16 0.00 0.00 179.01 178.21 2k77 h ALA 21 N 1.63 -0.33 -0.11 3.43 0.00 -1.13 -2.95 119.26 119.80 2k77 h ALA 21 Ca 0.11 -0.13 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 2k77 h ALA 21 Cb 0.19 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2k77 h ALA 21 CO -0.00 -0.61 -0.28 -0.07 0.00 0.00 0.00 179.25 178.29 2k77 h LEU 22 N -0.49 0.20 -1.33 0.00 3.38 -0.65 0.41 115.31 116.82 2k77 h LEU 22 Ca -0.03 -0.06 -0.05 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 22 Cb 0.37 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 2k77 h LEU 22 CO 0.06 0.48 -0.09 0.03 0.09 0.00 0.00 178.44 179.01 2k77 h ARG 23 N 0.18 0.34 -0.04 1.13 2.47 -0.75 -2.07 114.38 115.64 2k77 h ARG 23 Ca 0.03 -0.08 0.00 0.00 -1.26 0.00 0.00 59.98 58.67 2k77 h ARG 23 Cb 0.59 -0.05 0.00 0.00 -1.65 0.00 0.00 29.97 28.87 2k77 h ARG 23 CO 0.04 0.44 0.00 1.28 0.56 0.00 0.00 179.97 182.30 2k77 n LEU 24 N -4.27 1.16 -0.54 3.04 4.77 -0.86 -4.95 117.00 115.35 2k77 n LEU 24 Ca 0.00 -0.41 -0.07 0.00 -0.03 0.00 0.00 56.01 55.50 2k77 n LEU 24 Cb 0.26 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.31 2k77 n LEU 24 CO 0.38 0.21 -0.07 0.61 -1.33 0.00 0.00 177.39 177.20 2k77 n GLY 25 N 1.11 0.75 3.80 -0.72 0.00 -0.78 -0.96 105.19 108.40 2k77 n GLY 25 Ca 0.19 -0.73 -0.38 0.00 0.00 0.00 0.00 46.02 45.10 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 -2.26 3.68 -0.40 1.61 3.76 0.08 -1.11 115.29 120.66 2k77 s HIS 26 Ca 0.00 1.00 0.10 0.00 -0.15 0.00 0.00 55.06 56.01 2k77 s HIS 26 Cb 0.00 -2.38 0.63 0.00 1.11 0.00 0.00 32.58 31.94 2k77 s HIS 26 CO 0.00 0.51 1.52 0.27 -0.85 0.00 0.00 174.74 176.19 2k77 n ASN 27 N 2.30 4.58 -4.04 1.40 6.94 -1.26 -3.28 115.26 121.90 2k77 n ASN 27 Ca -0.12 -2.81 -0.09 0.00 -0.02 0.00 0.00 54.58 51.54 2k77 n ASN 27 Cb 0.52 -0.67 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 2k77 s ASN 28 N -0.64 0.49 -0.35 0.53 2.20 -1.26 -2.63 114.94 113.28 2k77 s ASN 28 Ca 0.43 -0.69 -0.09 0.00 -0.94 0.00 0.00 52.86 51.57 2k77 s ASN 28 Cb 0.34 0.12 0.02 0.00 -2.00 0.00 0.00 41.25 39.72 2k77 s ASN 28 CO 0.12 -0.38 0.16 -0.63 -2.94 0.00 0.00 177.10 173.43 2k77 s ILE 29 N -2.30 4.31 0.68 0.54 1.01 0.06 -4.77 121.20 120.73 2k77 s ILE 29 Ca -0.06 -0.84 0.02 0.00 0.00 0.00 0.00 60.65 59.77 2k77 s ILE 29 Cb -0.04 -3.36 0.12 0.00 0.01 0.00 0.00 42.46 39.19 2k77 s ILE 29 CO -0.04 -0.14 0.94 -0.83 0.00 0.00 0.00 174.94 174.87 2k77 s GLY 30 N 1.52 1.75 0.29 6.18 0.00 -1.26 -1.49 107.32 114.30 2k77 s GLY 30 Ca 0.02 -1.86 0.02 0.00 0.00 0.00 0.00 44.72 42.89 2k77 s GLY 30 CO 0.05 -1.32 1.85 -0.91 0.00 0.00 0.00 173.10 172.76 2k77 h THR 31 N -0.33 0.93 -0.55 0.90 1.35 -1.93 -1.64 112.91 111.65 2k77 h THR 31 Ca -0.34 -0.34 0.11 0.00 -0.55 0.00 0.00 66.41 65.29 2k77 h THR 31 Cb 1.27 -0.14 -0.10 0.00 -1.73 0.00 0.00 68.15 67.45 2k77 h THR 31 CO 0.40 0.18 -0.06 1.05 -0.25 0.00 0.00 175.52 176.85 2k77 h GLU 32 N 0.99 0.06 -0.01 4.72 9.09 -1.95 -0.54 114.58 126.95 2k77 h GLU 32 Ca 0.49 -0.00 -0.17 0.00 0.05 0.00 0.00 59.36 59.72 2k77 h GLU 32 Cb 0.47 -0.01 -0.02 0.00 -1.65 0.00 0.00 28.75 27.54 2k77 h GLU 32 CO -0.25 0.04 -0.78 0.45 0.05 0.00 0.00 179.01 178.52 2k77 h HIS 33 N 0.07 0.17 -0.33 2.06 3.86 -1.68 -0.24 115.15 119.06 2k77 h HIS 33 Ca 0.28 -0.09 -0.04 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 33 Cb 0.44 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.87 2k77 h HIS 33 CO -0.39 0.85 0.06 0.82 0.86 0.00 0.00 177.93 180.13 2k77 h ILE 34 N 0.07 1.23 -0.52 2.45 2.04 -1.12 0.56 117.51 122.22 2k77 h ILE 34 Ca -0.02 -0.80 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2k77 h ILE 34 Cb 1.37 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 38.55 2k77 h ILE 34 CO 0.11 0.27 0.14 0.25 0.00 0.00 0.00 178.15 178.92 2k77 h LEU 35 N 0.37 0.78 -0.82 1.44 5.85 -0.96 -0.90 115.31 121.07 2k77 h LEU 35 Ca 0.10 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.51 2k77 h LEU 35 Cb 0.33 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 2k77 h LEU 35 CO 0.00 0.80 -0.06 0.25 -0.34 0.00 0.00 178.44 179.09 2k77 h LEU 36 N 0.73 0.80 -0.94 2.25 5.85 -0.99 -2.08 115.31 120.92 2k77 h LEU 36 Ca 0.17 -0.22 -0.04 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 36 Cb 0.31 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.09 2k77 h LEU 36 CO -0.00 0.90 0.26 1.23 -0.34 0.00 0.00 178.44 180.49 2k77 h GLY 37 N 0.98 1.11 0.73 3.75 0.00 -0.74 -1.73 103.07 107.16 2k77 h GLY 37 Ca 0.13 -0.60 0.02 0.00 0.00 0.00 0.00 47.33 46.89 2k77 h GLY 37 CO 0.03 0.56 -0.09 1.41 0.00 0.00 0.00 176.54 178.45 2k77 h LEU 38 N 1.01 -0.27 -0.88 3.11 3.38 -0.60 -0.84 115.31 120.22 2k77 h LEU 38 Ca 0.23 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.18 2k77 h LEU 38 Cb 0.22 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2k77 h LEU 38 CO -0.02 -0.13 -0.32 -0.37 0.09 0.00 0.00 178.44 177.69 2k77 h VAL 39 N -0.15 0.73 -0.01 1.22 -1.51 -1.33 -1.05 116.25 114.16 2k77 h VAL 39 Ca 0.05 -1.43 -0.13 0.00 -1.23 0.00 0.00 66.70 63.96 2k77 h VAL 39 Cb 0.21 1.92 -0.02 0.00 -2.13 0.00 0.00 31.29 31.27 2k77 h VAL 39 CO -0.11 0.31 -0.58 -0.09 -1.23 0.00 0.00 177.57 175.87 2k77 h ARG 40 N 0.00 0.03 -0.05 5.19 2.43 -1.12 -3.10 114.38 117.76 2k77 h ARG 40 Ca -0.00 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.13 2k77 h ARG 40 Cb 0.90 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.45 2k77 h ARG 40 CO 0.04 0.61 -0.02 1.49 -1.51 0.00 0.00 179.97 180.57 2k77 h GLU 41 N 0.02 0.11 0.00 0.20 4.22 -0.84 -3.47 114.58 114.82 2k77 h GLU 41 Ca -0.01 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.39 2k77 h GLU 41 Cb 1.04 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.29 2k77 h GLU 41 CO 0.08 0.49 0.00 0.41 -2.18 0.00 0.00 179.01 177.81 2k77 n GLY 42 N 0.02 1.54 0.00 1.92 0.00 -0.42 -4.68 105.19 103.56 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 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -2.00 1.96 -0.90 1.61 1.02 -1.26 -4.40 120.64 116.66 2k77 n GLU 43 Ca 0.00 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2k77 n GLU 43 Cb 0.00 -1.03 0.14 0.00 -0.02 0.00 0.00 31.44 30.53 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k77 n GLY 44 N 2.68 -0.55 0.30 0.62 0.00 -1.26 -4.62 105.19 102.35 2k77 n GLY 44 Ca -0.01 -0.61 0.05 0.00 0.00 0.00 0.00 46.02 45.45 2k77 n GLY 44 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2k77 h ILE 45 N -1.36 0.78 -0.25 -0.61 1.08 -1.95 -0.17 117.51 115.02 2k77 h ILE 45 Ca -0.45 -0.22 -0.03 0.00 -0.39 0.00 0.00 64.86 63.78 2k77 h ILE 45 Cb 1.29 0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 35.12 2k77 h ILE 45 CO 0.42 0.11 0.06 0.00 -0.69 0.00 0.00 178.15 178.05 2k77 h ALA 46 N 1.51 0.33 -0.47 1.87 0.00 -1.89 0.37 119.26 120.98 2k77 h ALA 46 Ca 0.42 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 55.10 2k77 h ALA 46 Cb 0.54 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2k77 h ALA 46 CO -0.33 -0.01 0.02 0.00 0.00 0.00 0.00 179.25 178.94 2k77 h ALA 47 N 0.88 1.15 -0.29 0.00 0.00 -1.62 -0.22 119.26 119.16 2k77 h ALA 47 Ca 0.08 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 47 Cb 0.29 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 2k77 h ALA 47 CO 0.00 0.55 -0.33 -0.22 0.00 0.00 0.00 179.25 179.25 2k77 h LYS 48 N 0.72 0.62 -0.56 0.00 1.63 -0.98 -1.84 116.57 116.17 2k77 h LYS 48 Ca 0.14 -0.29 -0.07 0.00 -0.85 0.00 0.00 60.65 59.58 2k77 h LYS 48 Cb 0.41 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.01 2k77 h LYS 48 CO 0.02 0.87 0.06 0.00 -3.45 0.00 0.00 179.45 176.95 2k77 h ALA 49 N 1.11 0.75 -0.18 5.00 0.00 -0.47 0.57 119.26 126.04 2k77 h ALA 49 Ca 0.06 -0.27 0.01 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 49 Cb 0.83 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2k77 h ALA 49 CO 0.07 0.53 0.09 -0.07 0.00 0.00 0.00 179.25 179.87 2k77 h LEU 50 N 0.84 0.15 -0.96 0.00 3.38 -0.96 -1.81 115.31 115.95 2k77 h LEU 50 Ca 0.17 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 50 Cb 0.46 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.17 2k77 h LEU 50 CO 0.02 0.11 -0.23 1.56 0.09 0.00 0.00 178.44 179.99 2k77 h GLN 51 N 0.20 0.49 -0.21 1.13 4.20 -1.22 -2.47 115.11 117.22 2k77 h GLN 51 Ca 0.07 -0.18 -0.06 0.00 0.06 0.00 0.00 58.65 58.54 2k77 h GLN 51 Cb 0.00 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2k77 h GLN 51 CO -0.04 0.69 -0.15 0.00 -0.67 0.00 0.00 178.83 178.66 2k77 h ALA 52 N 1.32 1.36 0.00 3.87 0.00 -0.69 -1.73 119.26 123.39 2k77 h ALA 52 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 52 Cb 0.64 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2k77 h ALA 52 CO 0.05 0.44 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2k77 n LEU 53 N -4.22 0.00 0.00 0.00 4.77 -0.70 -4.87 117.00 111.98 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 0.31 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.40 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 0.30 0.74 3.19 -0.72 0.00 -0.65 -5.06 105.19 103.00 2k77 n GLY 54 Ca 0.03 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.96 -5.00 117.00 113.30 2k77 n LEU 55 Ca 0.00 -1.37 -0.10 0.00 -0.03 0.00 0.00 56.01 54.52 2k77 n LEU 55 Cb 0.00 -0.75 -0.02 0.00 -2.33 0.00 0.00 43.42 40.32 2k77 n LEU 55 CO 0.00 -1.17 0.53 -0.83 -1.33 0.00 0.00 177.39 174.59 2k77 s GLY 56 N -5.17 -0.50 0.17 -0.72 0.00 -1.26 -4.36 107.32 95.47 2k77 s GLY 56 Ca 0.60 0.58 -0.14 0.00 0.00 0.00 0.00 44.72 45.76 2k77 s GLY 56 CO 0.41 0.19 1.80 1.48 0.00 0.00 0.00 173.10 176.98 2k77 h SER 57 N 2.00 0.40 0.61 1.64 4.64 -1.98 -2.02 113.55 118.85 2k77 h SER 57 Ca -0.28 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 60.95 2k77 h SER 57 Cb 1.28 -0.07 -0.01 0.00 -0.31 0.00 0.00 62.40 63.28 2k77 h SER 57 CO 0.33 0.29 -0.48 1.05 -0.87 0.00 0.00 176.83 177.15 2k77 h GLU 58 N 0.52 0.00 -0.04 4.77 4.11 -1.98 -0.30 114.58 121.65 2k77 h GLU 58 Ca 0.19 0.00 -0.02 0.00 0.07 0.00 0.00 59.36 59.61 2k77 h GLU 58 Cb 0.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 2k77 h GLU 58 CO -0.11 0.48 -0.03 0.87 0.07 0.00 0.00 179.01 180.29 2k77 h LYS 59 N 0.00 0.10 -0.44 1.06 6.56 -1.89 -1.14 116.57 120.83 2k77 h LYS 59 Ca -0.00 -0.05 -0.07 0.00 -1.06 0.00 0.00 60.65 59.47 2k77 h LYS 59 Cb 0.92 0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 32.57 2k77 h LYS 59 CO 0.06 0.53 0.01 0.82 -2.06 0.00 0.00 179.45 178.81 2k77 h ILE 60 N -0.33 1.26 -0.60 1.86 2.04 -1.34 -2.36 117.51 118.04 2k77 h ILE 60 Ca 0.01 -1.03 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 2k77 h ILE 60 Cb 0.51 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 37.62 2k77 h ILE 60 CO 0.01 0.35 0.35 -0.61 0.00 0.00 0.00 178.15 178.25 2k77 h GLN 61 N 0.61 0.81 -0.55 2.37 4.15 -1.09 -0.58 115.11 120.83 2k77 h GLN 61 Ca 0.12 -0.08 -0.02 0.00 0.77 0.00 0.00 58.65 59.45 2k77 h GLN 61 Cb 0.48 -0.17 -0.03 0.00 0.21 0.00 0.00 27.48 27.98 2k77 h GLN 61 CO 0.02 0.59 0.26 -0.22 -1.93 0.00 0.00 178.83 177.56 2k77 h LYS 62 N 0.81 0.79 -0.34 1.69 3.64 -1.12 -0.64 116.57 121.40 2k77 h LYS 62 Ca 0.21 -0.11 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2k77 h LYS 62 Cb -0.01 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.66 2k77 h LYS 62 CO -0.04 0.64 -0.29 0.93 -2.27 0.00 0.00 179.45 178.42 2k77 h GLU 63 N 0.74 0.71 0.63 1.90 4.39 -1.23 -0.96 114.58 120.75 2k77 h GLU 63 Ca 0.19 -0.31 -0.03 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 63 Cb 0.11 -0.02 0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k77 h GLU 63 CO -0.02 0.92 -0.30 0.28 -1.16 0.00 0.00 179.01 178.72 2k77 h VAL 64 N 0.61 0.38 -0.54 3.13 2.07 -0.94 -3.01 116.25 117.94 2k77 h VAL 64 Ca 0.07 -0.03 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 64 Cb 0.80 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 30.94 2k77 h VAL 64 CO 0.07 0.00 0.36 -0.33 0.02 0.00 0.00 177.57 177.69 2k77 h GLU 65 N -0.86 0.72 0.00 1.57 5.08 -1.06 -1.38 114.58 118.65 2k77 h GLU 65 Ca -0.09 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.23 2k77 h GLU 65 Cb 0.65 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2k77 h GLU 65 CO 0.14 0.47 0.00 0.77 -1.00 0.00 0.00 179.01 179.40 2k77 h SER 66 N 0.74 0.00 0.00 1.42 0.02 -1.15 -0.90 113.55 113.68 2k77 h SER 66 Ca 0.20 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.87 2k77 h SER 66 Cb -0.09 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 62.40 2k77 h SER 66 CO -0.04 0.00 -2.18 0.18 -1.14 0.00 0.00 176.83 173.65 2k77 n LEU 67 N -2.83 0.00 -0.02 5.07 4.77 -0.59 -4.75 117.00 118.64 2k77 n LEU 67 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k77 n LEU 67 Cb 0.23 0.37 -0.07 0.00 -2.33 0.00 0.00 43.42 41.62 2k77 n LEU 67 CO 0.23 0.37 -0.70 2.30 -1.33 0.00 0.00 177.39 178.27 2k77 n ILE 68 N -2.59 0.29 -4.82 -0.08 -5.35 -0.78 -5.12 119.36 100.91 2k77 n ILE 68 Ca -0.25 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 61.93 2k77 n ILE 68 Cb 1.00 -0.21 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 2.19 -0.10 3.77 3.28 0.00 -0.34 -4.75 105.19 109.23 2k77 n GLY 69 Ca -0.08 -0.90 -0.40 0.00 0.00 0.00 0.00 46.02 44.64 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 4.21 0.00 1.61 3.52 -1.26 -4.98 118.95 122.05 2k77 s ARG 70 Ca 0.00 2.05 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 2k77 s ARG 70 Cb 0.00 -2.90 0.00 0.00 -1.56 0.00 0.00 34.95 30.49 2k77 s ARG 70 CO 0.00 -0.25 0.00 0.41 -0.81 0.00 0.00 175.30 174.65 2k77 n GLY 71 N 0.77 0.16 0.42 8.12 0.00 -0.13 -4.98 105.19 109.55 2k77 n GLY 71 Ca 0.02 -1.54 0.03 0.00 0.00 0.00 0.00 46.02 44.53 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 0.00 0.34 -1.28 1.61 0.00 -0.27 -4.84 117.38 112.94 2k77 n GLN 72 Ca 0.00 -1.44 -0.58 0.00 0.00 0.00 0.00 57.00 54.97 2k77 n GLN 72 Cb 0.00 -0.75 -0.11 0.00 0.00 0.00 0.00 30.24 29.38 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 -0.36 0.15 -0.00 2.61 2.13 -0.28 -4.80 120.64 120.09 2k77 n GLU 73 Ca 0.04 0.04 0.11 0.00 0.66 0.00 0.00 57.16 58.01 2k77 n GLU 73 Cb 0.70 -1.63 -0.16 0.00 0.27 0.00 0.00 31.44 30.62 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N 7.61 0.58 -3.50 5.31 2.81 -1.26 -4.99 117.12 123.67 2k77 n MET 74 Ca 0.53 -0.16 -0.12 0.00 -1.81 0.00 0.00 57.70 56.14 2k77 n MET 74 Cb -0.00 -1.53 -0.03 0.00 -0.71 0.00 0.00 33.22 30.95 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 s SER 75 N -4.36 -0.46 0.38 7.83 0.15 -1.26 -5.04 113.70 110.93 2k77 s SER 75 Ca -0.06 -0.06 0.28 0.00 0.70 0.00 0.00 55.95 56.81 2k77 s SER 75 Cb 0.14 0.55 1.09 0.00 -1.71 0.00 0.00 66.02 66.09 2k77 s SER 75 CO 0.90 -0.90 1.82 1.56 1.20 0.00 0.00 173.24 177.82 2k77 h GLN 76 N 2.21 0.00 -6.72 5.44 1.08 -1.97 -3.43 115.11 111.73 2k77 h GLN 76 Ca -0.34 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.36 2k77 h GLN 76 Cb 1.28 0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.70 2k77 h GLN 76 CO 0.41 0.00 0.39 -0.08 -0.95 0.00 0.00 178.83 178.60 2k77 s THR 77 N -3.43 4.01 0.12 -0.54 -1.32 -1.26 -5.05 115.64 108.16 2k77 s THR 77 Ca 0.04 1.91 -0.05 0.00 -1.21 0.00 0.00 61.69 62.38 2k77 s THR 77 Cb 0.09 -4.22 -0.05 0.00 -1.51 0.00 0.00 72.50 66.81 2k77 s THR 77 CO 0.48 0.41 0.35 -0.63 -2.21 0.00 0.00 174.62 173.02 2k77 s ILE 78 N -0.85 5.19 0.06 5.08 1.09 -1.26 -4.77 121.20 125.74 2k77 s ILE 78 Ca 0.44 0.04 0.05 0.00 -1.10 0.00 0.00 60.65 60.08 2k77 s ILE 78 Cb -0.27 -3.62 -0.03 0.00 -1.06 0.00 0.00 42.46 37.48 2k77 s ILE 78 CO 0.34 0.09 -0.15 -1.00 -0.10 0.00 0.00 174.94 174.12 2k77 s HIS 79 N -1.60 1.28 0.11 3.97 3.76 -1.08 -4.99 115.29 116.76 2k77 s HIS 79 Ca 0.39 -0.40 -0.24 0.00 -0.15 0.00 0.00 55.06 54.65 2k77 s HIS 79 Cb -0.12 -0.74 -0.07 0.00 1.11 0.00 0.00 32.58 32.75 2k77 s HIS 79 CO 0.24 0.06 0.74 0.71 -0.85 0.00 0.00 174.74 175.64 2k77 s TYR 80 N -1.04 3.84 0.86 1.40 1.51 -1.26 -0.76 117.35 121.90 2k77 s TYR 80 Ca 0.01 1.53 -0.11 0.00 -1.01 0.00 0.00 57.07 57.49 2k77 s TYR 80 Cb -0.09 -2.74 0.11 0.00 -0.11 0.00 0.00 41.96 39.13 2k77 s TYR 80 CO 0.02 0.45 1.09 0.95 -1.11 0.00 0.00 175.55 176.95 2k77 s THR 81 N -0.80 2.85 0.38 -0.71 -4.23 -0.56 -4.77 115.64 107.80 2k77 s THR 81 Ca 0.36 0.28 0.09 0.00 -1.18 0.00 0.00 61.69 61.23 2k77 s THR 81 Cb -0.22 -2.72 0.31 0.00 1.34 0.00 0.00 72.50 71.21 2k77 s THR 81 CO 0.24 -0.36 1.94 -0.65 -0.54 0.00 0.00 174.62 175.25 2k77 h PRO 82 N -1.45 0.62 -0.00 3.99 0.11 -1.98 0.43 132.00 133.73 2k77 h PRO 82 Ca -0.47 -0.04 -0.22 0.00 0.11 0.00 0.00 66.00 65.38 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 0.52 0.41 -0.92 0.00 -0.21 0.00 0.00 178.00 177.80 2k77 h ARG 83 N 0.64 0.38 -0.36 1.05 2.47 -1.95 -1.14 114.38 115.46 2k77 h ARG 83 Ca 0.34 -0.40 -0.08 0.00 -1.26 0.00 0.00 59.98 58.57 2k77 h ARG 83 Cb 0.47 0.11 -0.01 0.00 -1.65 0.00 0.00 29.97 28.89 2k77 h ARG 83 CO -0.12 1.08 -0.11 0.00 0.56 0.00 0.00 179.97 181.38 2k77 h ALA 84 N 0.78 0.50 -0.91 0.04 0.00 -1.71 -0.49 119.26 117.48 2k77 h ALA 84 Ca -0.07 -0.32 0.01 0.00 0.00 0.00 0.00 54.91 54.53 2k77 h ALA 84 Cb 1.56 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 19.18 2k77 h ALA 84 CO 0.16 0.37 0.60 -0.22 0.00 0.00 0.00 179.25 180.15 2k77 h LYS 85 N 0.50 1.20 -0.52 0.00 3.64 -0.94 -0.36 116.57 120.08 2k77 h LYS 85 Ca 0.09 -0.08 -0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2k77 h LYS 85 Cb 0.62 -0.27 -0.02 0.00 -0.41 0.00 0.00 32.23 32.15 2k77 h LYS 85 CO 0.04 0.80 0.30 -0.22 -2.27 0.00 0.00 179.45 178.09 2k77 h LYS 86 N 1.23 0.72 -0.62 1.90 3.64 -1.10 -2.52 116.57 119.82 2k77 h LYS 86 Ca 0.33 -0.08 -0.02 0.00 -1.27 0.00 0.00 60.65 59.62 2k77 h LYS 86 Cb -0.13 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 31.51 2k77 h LYS 86 CO -0.07 0.54 0.31 0.28 -2.27 0.00 0.00 179.45 178.24 2k77 h VAL 87 N 0.69 1.20 -0.32 2.00 2.07 -0.42 0.99 116.25 122.46 2k77 h VAL 87 Ca 0.18 -0.54 -0.03 0.00 0.82 0.00 0.00 66.70 67.13 2k77 h VAL 87 Cb 0.03 0.40 -0.02 0.00 -1.52 0.00 0.00 31.29 30.18 2k77 h VAL 87 CO -0.03 0.23 0.07 0.40 0.02 0.00 0.00 177.57 178.25 2k77 h ILE 88 N 0.87 1.16 0.10 4.57 1.08 -0.83 0.43 117.51 124.88 2k77 h ILE 88 Ca 0.22 -0.56 -0.27 0.00 -0.39 0.00 0.00 64.86 63.85 2k77 h ILE 88 Cb 0.07 0.85 0.03 0.00 -3.07 0.00 0.00 36.82 34.69 2k77 h ILE 88 CO -0.03 0.20 -1.10 -0.33 -0.69 0.00 0.00 178.15 176.20 2k77 h GLU 89 N 0.46 0.58 -0.45 2.37 5.08 -0.95 -3.16 114.58 118.51 2k77 h GLU 89 Ca 0.11 -0.75 -0.08 0.00 -1.00 0.00 0.00 59.36 57.64 2k77 h GLU 89 Cb 0.20 0.24 -0.02 0.00 0.50 0.00 0.00 28.75 29.68 2k77 h GLU 89 CO -0.00 1.33 -0.03 -0.07 -1.00 0.00 0.00 179.01 179.24 2k77 h LEU 90 N 0.18 0.80 -1.07 1.33 3.38 -0.58 -0.96 115.31 118.40 2k77 h LEU 90 Ca -0.17 -0.32 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2k77 h LEU 90 Cb 1.79 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 42.31 2k77 h LEU 90 CO 0.21 0.93 0.04 0.77 0.09 0.00 0.00 178.44 180.49 2k77 h SER 91 N 0.65 0.66 -0.24 -0.43 4.64 -1.07 0.59 113.55 118.35 2k77 h SER 91 Ca 0.12 -0.13 -0.11 0.00 -0.47 0.00 0.00 61.79 61.20 2k77 h SER 91 Cb 0.54 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 62.44 2k77 h SER 91 CO 0.03 0.71 -0.23 -0.03 -0.87 0.00 0.00 176.83 176.43 2k77 h MET 92 N 0.67 0.72 -0.34 4.77 1.85 -1.47 -1.01 114.93 120.12 2k77 h MET 92 Ca 0.14 -0.29 -0.13 0.00 -0.61 0.00 0.00 59.70 58.81 2k77 h MET 92 Cb 0.35 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.34 2k77 h MET 92 CO 0.01 0.88 -0.31 0.22 -0.40 0.00 0.00 176.91 177.31 2k77 h ASP 93 N 0.63 0.78 -0.40 1.39 3.58 -0.72 -1.18 116.42 120.48 2k77 h ASP 93 Ca 0.09 -0.31 -0.02 0.00 0.42 0.00 0.00 57.03 57.20 2k77 h ASP 93 Cb 0.73 -0.22 -0.02 0.00 1.72 0.00 0.00 39.33 41.54 2k77 h ASP 93 CO 0.06 1.03 0.17 -0.33 -2.88 0.00 0.00 179.24 177.28 2k77 h GLU 94 N 0.63 0.60 -0.85 0.28 4.39 -0.74 0.81 114.58 119.70 2k77 h GLU 94 Ca 0.07 -0.10 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 2k77 h GLU 94 Cb 0.84 -0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.35 2k77 h GLU 94 CO 0.07 0.56 0.52 0.00 -1.16 0.00 0.00 179.01 179.00 2k77 h ALA 95 N 1.01 1.32 -0.38 3.43 0.00 -1.13 -1.89 119.26 121.63 2k77 h ALA 95 Ca 0.14 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 95 Cb 0.18 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 2k77 h ALA 95 CO -0.01 0.59 -0.21 -0.09 0.00 0.00 0.00 179.25 179.53 2k77 h ARG 96 N 1.16 0.75 -0.37 0.00 2.43 -0.92 -0.49 114.38 116.94 2k77 h ARG 96 Ca 0.31 -0.29 -0.04 0.00 -0.81 0.00 0.00 59.98 59.14 2k77 h ARG 96 Cb -0.06 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.43 2k77 h ARG 96 CO -0.06 0.90 0.05 0.87 -1.51 0.00 0.00 179.97 180.22 2k77 h LYS 97 N 0.66 0.56 0.00 0.20 6.56 -0.49 -1.62 116.57 122.44 2k77 h LYS 97 Ca 0.09 -0.11 0.00 0.00 -1.06 0.00 0.00 60.65 59.58 2k77 h LYS 97 Cb 0.71 -0.09 0.00 0.00 -0.57 0.00 0.00 32.23 32.28 2k77 h LYS 97 CO 0.05 0.55 0.00 1.28 -2.06 0.00 0.00 179.45 179.28 2k77 n LEU 98 N -4.30 0.00 -0.99 2.94 7.99 -0.74 -4.93 117.00 116.97 2k77 n LEU 98 Ca 0.02 0.27 -0.13 0.00 -0.01 0.00 0.00 56.01 56.16 2k77 n LEU 98 Cb 0.22 -0.27 -0.05 0.00 -0.11 0.00 0.00 43.42 43.21 2k77 n LEU 98 CO 0.39 -0.03 -0.12 0.61 -1.51 0.00 0.00 177.39 176.73 2k77 n GLY 99 N 1.00 1.25 3.82 -0.72 0.00 -0.61 -5.01 105.19 104.92 2k77 n GLY 99 Ca 0.13 -0.44 -0.34 0.00 0.00 0.00 0.00 46.02 45.38 2k77 n GLY 99 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 2k77 s HIS 100 N -2.47 3.38 -0.74 1.61 5.04 -0.24 -4.99 115.29 116.87 2k77 s HIS 100 Ca 0.00 1.58 0.25 0.00 -1.54 0.00 0.00 55.06 55.36 2k77 s HIS 100 Cb 0.00 -2.82 0.91 0.00 0.04 0.00 0.00 32.58 30.71 2k77 s HIS 100 CO 0.00 -0.03 1.77 0.43 -2.34 0.00 0.00 174.74 174.57 2k77 n SER 101 N -0.40 0.58 -3.55 9.88 7.64 -1.26 -4.58 113.62 121.91 2k77 n SER 101 Ca 0.06 0.58 -0.11 0.00 1.01 0.00 0.00 58.87 60.41 2k77 n SER 101 Cb 0.53 -0.72 -0.03 0.00 -1.01 0.00 0.00 64.21 62.98 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 -3.12 -0.39 -0.38 1.43 -0.85 -1.26 -4.75 117.35 108.02 2k77 s TYR 102 Ca 0.10 0.11 -0.28 0.00 -0.52 0.00 0.00 57.07 56.48 2k77 s TYR 102 Cb 0.13 0.52 0.02 0.00 0.38 0.00 0.00 41.96 43.01 2k77 s TYR 102 CO 0.51 -0.90 1.05 0.08 -1.52 0.00 0.00 175.55 174.77 2k77 s VAL 103 N -3.80 4.44 0.81 -3.49 1.01 0.08 -4.82 120.40 114.62 2k77 s VAL 103 Ca 0.04 1.40 -0.11 0.00 0.00 0.00 0.00 61.98 63.31 2k77 s VAL 103 Cb -0.01 -4.45 0.09 0.00 0.00 0.00 0.00 36.38 32.01 2k77 s VAL 103 CO -0.09 -0.67 1.17 -0.83 0.00 0.00 0.00 175.10 174.68 2k77 s GLY 104 N 1.98 1.63 0.26 4.51 0.00 -1.26 -0.89 107.32 113.55 2k77 s GLY 104 Ca 0.44 -0.77 -0.04 0.00 0.00 0.00 0.00 44.72 44.35 2k77 s GLY 104 CO 0.21 -0.26 1.90 -0.91 0.00 0.00 0.00 173.10 174.04 2k77 h THR 105 N -1.04 1.16 -0.44 0.90 1.35 -1.94 -1.44 112.91 111.46 2k77 h THR 105 Ca -0.45 -0.43 0.09 0.00 -0.55 0.00 0.00 66.41 65.06 2k77 h THR 105 Cb 1.32 -0.21 -0.10 0.00 -1.73 0.00 0.00 68.15 67.43 2k77 h THR 105 CO 0.62 0.23 -0.29 1.05 -0.25 0.00 0.00 175.52 176.88 2k77 h GLU 106 N 1.26 -0.19 -0.05 4.72 9.09 -1.94 -2.15 114.58 125.33 2k77 h GLU 106 Ca 0.41 0.01 -0.12 0.00 0.05 0.00 0.00 59.36 59.71 2k77 h GLU 106 Cb 0.03 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.16 2k77 h GLU 106 CO -0.13 -0.12 -0.53 0.45 0.05 0.00 0.00 179.01 178.72 2k77 h HIS 107 N -0.19 0.16 -0.22 2.06 3.86 -1.72 -1.51 115.15 117.58 2k77 h HIS 107 Ca 0.20 -0.05 0.04 0.00 -1.16 0.00 0.00 60.37 59.39 2k77 h HIS 107 Cb 0.51 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 28.92 2k77 h HIS 107 CO -0.53 0.64 0.01 0.82 0.86 0.00 0.00 177.93 179.73 2k77 h ILE 108 N 0.10 0.86 -0.44 2.45 2.04 -0.93 -0.63 117.51 120.97 2k77 h ILE 108 Ca -0.00 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.81 2k77 h ILE 108 Cb 0.97 0.76 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 2k77 h ILE 108 CO 0.08 0.02 0.18 0.25 0.00 0.00 0.00 178.15 178.67 2k77 h LEU 109 N 0.09 0.60 -1.63 1.44 5.85 -0.97 -0.98 115.31 119.70 2k77 h LEU 109 Ca 0.10 -0.16 0.08 0.00 0.84 0.00 0.00 57.88 58.75 2k77 h LEU 109 Cb 0.12 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 40.97 2k77 h LEU 109 CO -0.17 0.59 0.38 -0.07 -0.34 0.00 0.00 178.44 178.84 2k77 h LEU 110 N 0.56 0.39 -0.32 2.25 3.38 -1.08 -1.36 115.31 119.12 2k77 h LEU 110 Ca 0.15 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 110 Cb 0.18 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k77 h LEU 110 CO -0.01 0.24 -0.09 1.23 0.09 0.00 0.00 178.44 179.90 2k77 h GLY 111 N 0.43 0.68 0.99 0.83 0.00 -0.48 -2.48 103.07 103.04 2k77 h GLY 111 Ca 0.26 -0.57 -0.01 0.00 0.00 0.00 0.00 47.33 47.01 2k77 h GLY 111 CO -0.07 0.52 0.32 1.41 0.00 0.00 0.00 176.54 178.73 2k77 h LEU 112 N 0.41 0.68 -0.53 3.11 3.38 -0.15 -2.03 115.31 120.18 2k77 h LEU 112 Ca 0.08 -0.07 -0.15 0.00 0.09 0.00 0.00 57.88 57.83 2k77 h LEU 112 Cb 0.59 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 2k77 h LEU 112 CO 0.03 0.55 -0.42 0.16 0.09 0.00 0.00 178.44 178.85 2k77 h ILE 113 N 0.75 1.29 0.00 1.22 3.07 -1.41 -3.25 117.51 119.18 2k77 h ILE 113 Ca 0.20 -1.61 -0.04 0.00 1.55 0.00 0.00 64.86 64.96 2k77 h ILE 113 Cb 0.01 1.52 -0.01 0.00 -0.27 0.00 0.00 36.82 38.08 2k77 h ILE 113 CO -0.04 0.52 -0.20 -0.09 -1.05 0.00 0.00 178.15 177.30 2k77 h ARG 114 N 0.58 0.00 -0.76 0.16 2.43 -1.16 -2.02 114.38 113.62 2k77 h ARG 114 Ca 0.04 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.17 2k77 h ARG 114 Cb 0.97 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.49 2k77 h ARG 114 CO 0.09 0.20 0.30 1.49 -1.51 0.00 0.00 179.97 180.53 2k77 h GLU 115 N 0.00 1.13 0.00 0.20 4.57 -1.40 -3.47 114.58 115.61 2k77 h GLU 115 Ca -0.00 -0.20 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2k77 h GLU 115 Cb 0.55 -0.18 0.00 0.00 -0.16 0.00 0.00 28.75 28.96 2k77 h GLU 115 CO 0.03 0.92 0.00 0.41 -1.18 0.00 0.00 179.01 179.18 2k77 n GLY 116 N -0.90 0.98 0.11 1.92 0.00 -0.76 -4.46 105.19 102.07 2k77 n GLY 116 Ca 0.07 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.96 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N 0.00 0.76 -0.62 1.61 2.13 -1.26 -4.57 120.64 118.68 2k77 n GLU 117 Ca 0.00 0.07 -0.31 0.00 0.66 0.00 0.00 57.16 57.58 2k77 n GLU 117 Cb 0.00 -1.48 0.19 0.00 0.27 0.00 0.00 31.44 30.42 2k77 n GLU 117 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k77 n GLY 118 N 2.11 -1.34 0.36 8.31 0.00 -1.26 -4.68 105.19 108.68 2k77 n GLY 118 Ca -0.37 -0.88 0.02 0.00 0.00 0.00 0.00 46.02 44.79 2k77 n GLY 118 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2k77 h VAL 119 N -2.14 1.14 -0.49 1.61 2.07 -1.95 -2.25 116.25 114.25 2k77 h VAL 119 Ca -0.50 -0.36 0.02 0.00 0.82 0.00 0.00 66.70 66.68 2k77 h VAL 119 Cb 1.30 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.05 2k77 h VAL 119 CO 0.42 0.19 0.30 0.00 0.02 0.00 0.00 177.57 178.50 2k77 h ALA 120 N 1.51 0.62 -0.46 1.67 0.00 -1.90 0.95 119.26 121.65 2k77 h ALA 120 Ca 0.33 -0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.16 2k77 h ALA 120 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2k77 h ALA 120 CO -0.09 0.00 0.01 0.00 0.00 0.00 0.00 179.25 179.17 2k77 h ALA 121 N 1.21 1.15 -0.35 0.00 0.00 -1.59 -2.49 119.26 117.19 2k77 h ALA 121 Ca 0.19 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.84 2k77 h ALA 121 Cb 0.00 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2k77 h ALA 121 CO -0.08 0.55 0.16 -0.09 0.00 0.00 0.00 179.25 179.78 2k77 h ARG 122 N 0.71 0.52 -0.17 0.00 9.65 -0.77 -1.70 114.38 122.62 2k77 h ARG 122 Ca 0.14 -0.09 0.02 0.00 -1.10 0.00 0.00 59.98 58.96 2k77 h ARG 122 Cb 0.42 -0.09 -0.02 0.00 -1.39 0.00 0.00 29.97 28.89 2k77 h ARG 122 CO 0.02 0.49 0.03 0.28 2.80 0.00 0.00 179.97 183.58 2k77 h VAL 123 N 0.43 0.92 -0.70 0.20 2.07 -0.76 -0.36 116.25 118.05 2k77 h VAL 123 Ca 0.12 -0.03 -0.04 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 123 Cb 0.15 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.71 2k77 h VAL 123 CO -0.01 0.02 0.30 -0.07 0.02 0.00 0.00 177.57 177.82 2k77 h LEU 124 N 0.09 0.95 -0.90 2.57 3.38 -1.36 -1.40 115.31 118.65 2k77 h LEU 124 Ca 0.07 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 124 Cb 0.07 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2k77 h LEU 124 CO -0.11 0.85 -0.37 0.78 0.09 0.00 0.00 178.44 179.68 2k77 h ASN 125 N 0.99 0.36 -0.57 -0.43 2.35 -1.10 0.50 115.58 117.68 2k77 h ASN 125 Ca 0.24 -0.15 -0.10 0.00 -0.55 0.00 0.00 56.30 55.74 2k77 h ASN 125 Cb 0.18 -0.10 -0.02 0.00 0.05 0.00 0.00 38.32 38.43 2k77 h ASN 125 CO -0.02 0.71 -0.04 0.78 -1.65 0.00 0.00 177.43 177.21 2k77 h ASN 126 N 0.30 1.02 0.43 5.81 2.35 -0.73 -3.23 115.58 121.52 2k77 h ASN 126 Ca 0.03 -0.32 -0.17 0.00 -0.55 0.00 0.00 56.30 55.29 2k77 h ASN 126 Cb 0.80 -0.28 -0.01 0.00 0.05 0.00 0.00 38.32 38.88 2k77 h ASN 126 CO 0.06 1.10 -0.73 -0.07 -1.65 0.00 0.00 177.43 176.14 2k77 h LEU 127 N 0.92 0.31 0.00 1.61 3.38 -1.08 -3.48 115.31 116.97 2k77 h LEU 127 Ca 0.16 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2k77 h LEU 127 Cb 0.60 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 127 CO 0.04 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.11 2k77 n GLY 128 N 0.56 1.32 3.47 0.83 0.00 -0.47 -5.10 105.19 105.79 2k77 n GLY 128 Ca -0.03 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.32 3.23 0.46 1.61 1.01 0.04 -5.00 120.40 120.43 2k77 s VAL 129 Ca 0.00 -0.64 0.07 0.00 0.00 0.00 0.00 61.98 61.42 2k77 s VAL 129 Cb 0.00 -2.31 0.01 0.00 0.00 0.00 0.00 36.38 34.07 2k77 s VAL 129 CO 0.00 0.57 0.44 -0.94 0.00 0.00 0.00 175.10 175.17 2k77 s SER 130 N -0.37 4.99 0.19 3.32 1.04 -1.26 -3.14 113.70 118.46 2k77 s SER 130 Ca 0.04 -0.86 -0.12 0.00 0.48 0.00 0.00 55.95 55.49 2k77 s SER 130 Cb -0.12 -0.26 0.19 0.00 0.10 0.00 0.00 66.02 65.93 2k77 s SER 130 CO 0.02 -0.84 1.74 -0.07 0.98 0.00 0.00 173.24 175.07 2k77 h LEU 131 N 0.85 0.13 -0.40 2.42 4.07 -1.99 -1.80 115.31 118.60 2k77 h LEU 131 Ca -0.39 0.07 -0.18 0.00 0.08 0.00 0.00 57.88 57.46 2k77 h LEU 131 Cb 1.28 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 43.09 2k77 h LEU 131 CO 0.55 0.10 -0.68 0.78 -1.08 0.00 0.00 178.44 178.11 2k77 h ASN 132 N 0.32 0.61 -0.34 -0.43 2.35 -1.98 -0.10 115.58 116.01 2k77 h ASN 132 Ca 0.25 -0.37 -0.14 0.00 -0.55 0.00 0.00 56.30 55.48 2k77 h ASN 132 Cb 0.30 -0.18 -0.00 0.00 0.05 0.00 0.00 38.32 38.49 2k77 h ASN 132 CO -0.28 1.11 -0.35 0.50 -1.65 0.00 0.00 177.43 176.76 2k77 h LYS 133 N 0.37 0.84 -0.20 0.81 3.64 -1.92 -1.68 116.57 118.43 2k77 h LYS 133 Ca -0.02 -0.45 -0.09 0.00 -1.27 0.00 0.00 60.65 58.82 2k77 h LYS 133 Cb 1.25 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 2k77 h LYS 133 CO 0.12 1.09 -0.23 0.00 -2.27 0.00 0.00 179.45 178.16 2k77 h ALA 134 N 0.74 0.29 -0.18 5.00 0.00 -1.38 -3.21 119.26 120.52 2k77 h ALA 134 Ca 0.05 -0.37 0.05 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 134 Cb 0.94 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.62 2k77 h ALA 134 CO 0.09 0.25 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 2k77 h ARG 135 N 0.17 -0.18 -0.90 0.00 3.08 -0.95 -0.19 114.38 115.41 2k77 h ARG 135 Ca 0.03 0.01 -0.01 0.00 0.07 0.00 0.00 59.98 60.08 2k77 h ARG 135 Cb 0.78 0.04 -0.04 0.00 0.08 0.00 0.00 29.97 30.83 2k77 h ARG 135 CO 0.05 -0.12 0.52 1.96 -1.07 0.00 0.00 179.97 181.31 2k77 h GLN 136 N -0.19 1.23 -0.16 0.04 4.20 -1.40 0.11 115.11 118.94 2k77 h GLN 136 Ca 0.11 -0.12 -0.22 0.00 0.06 0.00 0.00 58.65 58.48 2k77 h GLN 136 Cb 0.36 -0.25 0.01 0.00 0.30 0.00 0.00 27.48 27.90 2k77 h GLN 136 CO -0.29 0.88 -0.77 1.96 -0.67 0.00 0.00 178.83 179.94 2k77 h GLN 137 N 1.25 0.79 -0.26 1.46 1.08 -1.49 -1.78 115.11 116.15 2k77 h GLN 137 Ca 0.32 -0.64 -0.06 0.00 -1.45 0.00 0.00 58.65 56.82 2k77 h GLN 137 Cb -0.02 0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.53 2k77 h GLN 137 CO -0.06 1.25 -0.06 0.28 -0.95 0.00 0.00 178.83 179.29 2k77 h VAL 138 N 0.55 1.28 0.00 -0.54 2.07 -0.77 -0.17 116.25 118.67 2k77 h VAL 138 Ca -0.05 -1.08 -0.04 0.00 0.82 0.00 0.00 66.70 66.35 2k77 h VAL 138 Cb 1.39 1.45 -0.01 0.00 -1.52 0.00 0.00 31.29 32.61 2k77 h VAL 138 CO 0.16 0.34 -0.21 -0.07 0.02 0.00 0.00 177.57 177.81 2k77 h LEU 139 N 0.26 0.00 0.05 2.57 3.38 -0.86 -2.15 115.31 118.56 2k77 h LEU 139 Ca 0.07 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 139 Cb 0.54 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.29 2k77 h LEU 139 CO 0.03 0.21 -0.02 -0.61 0.09 0.00 0.00 178.44 178.13 2k77 h GLN 140 N 0.00 -0.07 0.00 1.13 4.15 -1.24 -3.40 115.11 115.68 2k77 h GLN 140 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k77 h GLN 140 Cb 0.67 0.01 -0.00 0.00 0.21 0.00 0.00 27.48 28.38 2k77 h GLN 140 CO 0.03 0.51 -0.00 1.25 -1.93 0.00 0.00 178.83 178.69 2k77 h LEU 141 N -0.93 0.00 0.00 -2.39 5.85 -0.88 -0.21 115.31 116.76 2k77 h LEU 141 Ca -0.01 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2k77 h LEU 141 Cb 0.61 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.64 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 -3.09 0.00 0.00 2.25 -0.00 -0.82 -4.66 117.00 110.68 2k77 n LEU 142 Ca 0.01 0.35 0.00 0.00 -0.00 0.00 0.00 56.01 56.37 2k77 n LEU 142 Cb 0.33 -0.35 0.00 0.00 -0.00 0.00 0.00 43.42 43.40 2k77 n LEU 142 CO 0.28 -0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.03 2k77 n GLY 143 N -0.58 0.06 0.25 1.47 0.00 -1.18 -5.03 105.19 100.17 2k77 n GLY 143 Ca 0.03 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.17 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 1.20 0.00 1.61 7.64 -0.36 -5.13 113.62 118.58 2k77 n SER 144 Ca 0.00 -0.96 0.08 0.00 1.01 0.00 0.00 58.87 58.99 2k77 n SER 144 Cb 0.00 0.34 0.45 0.00 -1.01 0.00 0.00 64.21 63.99 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83