#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 3.30 0.30 2.12 0.00 -1.26 -4.99 119.30 118.76 2k77 s MET 2 Ca 0.00 1.12 0.01 0.00 0.00 0.00 0.00 55.69 56.82 2k77 s MET 2 Cb 0.00 -2.03 0.47 0.00 0.00 0.00 0.00 34.83 33.27 2k77 s MET 2 CO 0.00 -0.82 1.84 0.35 0.00 0.00 0.00 175.02 176.39 2k77 h PHE 3 N 0.23 0.75 -0.82 3.16 3.57 -1.98 -3.47 116.94 118.38 2k77 h PHE 3 Ca -0.46 -0.07 -0.21 0.00 3.53 0.00 0.00 57.97 60.76 2k77 h PHE 3 Cb 1.21 -0.22 -0.06 0.00 2.79 0.00 0.00 35.95 39.68 2k77 h PHE 3 CO 0.60 0.65 -0.21 0.41 -2.23 0.00 0.00 178.31 177.53 2k77 n GLY 4 N -0.88 0.73 3.25 2.40 0.00 -1.26 -5.03 105.19 104.41 2k77 n GLY 4 Ca 0.03 -0.53 -0.23 0.00 0.00 0.00 0.00 46.02 45.29 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 -3.44 1.07 0.20 1.61 0.52 -1.26 -5.10 118.95 112.55 2k77 s ARG 5 Ca 0.00 -1.08 0.11 0.00 -0.52 0.00 0.00 55.73 54.25 2k77 s ARG 5 Cb 0.00 -1.25 -0.04 0.00 0.52 0.00 0.00 34.95 34.17 2k77 s ARG 5 CO 0.00 0.29 -0.23 -0.06 0.02 0.00 0.00 175.30 175.32 2k77 s PHE 6 N -1.14 2.27 0.94 -0.53 0.40 -1.26 -1.03 117.98 117.63 2k77 s PHE 6 Ca 0.04 -0.36 -0.12 0.00 -0.60 0.00 0.00 56.93 55.89 2k77 s PHE 6 Cb -0.10 -1.11 0.16 0.00 0.51 0.00 0.00 43.02 42.48 2k77 s PHE 6 CO 0.03 0.51 1.09 0.95 0.70 0.00 0.00 175.22 178.50 2k77 s THR 7 N -1.76 2.46 0.25 0.64 -4.23 -0.21 -4.79 115.64 108.00 2k77 s THR 7 Ca 0.21 0.15 -0.05 0.00 -1.18 0.00 0.00 61.69 60.82 2k77 s THR 7 Cb -0.08 -2.55 0.20 0.00 1.34 0.00 0.00 72.50 71.42 2k77 s THR 7 CO 0.10 -0.19 1.86 -0.33 -0.54 0.00 0.00 174.62 175.52 2k77 h GLU 8 N -1.75 1.12 -0.33 3.99 4.39 -1.99 -0.69 114.58 119.31 2k77 h GLU 8 Ca -0.51 -0.15 -0.07 0.00 0.34 0.00 0.00 59.36 58.97 2k77 h GLU 8 Cb 1.30 -0.21 -0.02 0.00 -0.10 0.00 0.00 28.75 29.72 2k77 h GLU 8 CO 0.54 0.85 -0.10 0.07 -1.16 0.00 0.00 179.01 179.20 2k77 h ARG 9 N 1.12 0.56 0.07 2.33 0.11 -1.96 -2.58 114.38 114.03 2k77 h ARG 9 Ca 0.28 -0.16 -0.29 0.00 0.10 0.00 0.00 59.98 59.91 2k77 h ARG 9 Cb 0.08 -0.06 0.03 0.00 1.11 0.00 0.00 29.97 31.13 2k77 h ARG 9 CO -0.04 0.66 -1.16 0.00 0.10 0.00 0.00 179.97 179.53 2k77 h ALA 10 N 1.38 0.04 -0.77 0.08 0.00 -1.78 -3.13 119.26 115.08 2k77 h ALA 10 Ca 0.10 -0.74 0.07 0.00 0.00 0.00 0.00 54.91 54.33 2k77 h ALA 10 Cb 0.49 0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.32 2k77 h ALA 10 CO 0.03 0.68 0.50 1.96 0.00 0.00 0.00 179.25 182.42 2k77 h GLN 11 N 0.31 0.78 -0.38 0.00 4.20 -1.12 -1.98 115.11 116.92 2k77 h GLN 11 Ca -0.17 -0.05 -0.00 0.00 0.06 0.00 0.00 58.65 58.50 2k77 h GLN 11 Cb 1.83 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.41 2k77 h GLN 11 CO 0.22 0.52 0.24 0.87 -0.67 0.00 0.00 178.83 180.01 2k77 h LYS 12 N 0.80 0.52 -0.59 1.46 1.57 -1.46 -0.49 116.57 118.38 2k77 h LYS 12 Ca 0.33 -0.04 -0.05 0.00 -1.87 0.00 0.00 60.65 59.02 2k77 h LYS 12 Cb 0.27 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 2k77 h LYS 12 CO -0.12 0.37 0.16 -0.39 -0.57 0.00 0.00 179.45 178.91 2k77 h VAL 13 N 0.51 1.23 -0.05 0.50 -1.51 -1.33 -0.24 116.25 115.35 2k77 h VAL 13 Ca 0.14 -0.84 -0.15 0.00 -1.23 0.00 0.00 66.70 64.62 2k77 h VAL 13 Cb -0.02 0.61 -0.01 0.00 -2.13 0.00 0.00 31.29 29.74 2k77 h VAL 13 CO -0.03 0.32 -0.66 -0.07 -1.23 0.00 0.00 177.57 175.90 2k77 h LEU 14 N 0.88 0.26 -0.40 4.19 3.38 -1.22 0.36 115.31 122.76 2k77 h LEU 14 Ca 0.19 -0.16 -0.16 0.00 0.09 0.00 0.00 57.88 57.85 2k77 h LEU 14 Cb 0.29 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 14 CO -0.00 0.84 -0.37 0.00 0.09 0.00 0.00 178.44 179.00 2k77 h ALA 15 N 1.16 0.59 -0.08 1.53 0.00 -0.83 -3.21 119.26 118.41 2k77 h ALA 15 Ca -0.01 -0.45 -0.13 0.00 0.00 0.00 0.00 54.91 54.31 2k77 h ALA 15 Cb 1.18 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 2k77 h ALA 15 CO 0.10 0.68 -0.54 -0.07 0.00 0.00 0.00 179.25 179.42 2k77 h LEU 16 N 0.78 0.26 -1.34 0.00 3.38 -0.94 -3.00 115.31 114.45 2k77 h LEU 16 Ca 0.07 -0.14 0.09 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 16 Cb 0.97 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.59 2k77 h LEU 16 CO 0.09 0.75 0.52 0.00 0.09 0.00 0.00 178.44 179.89 2k77 h ALA 17 N 1.25 1.74 -0.41 1.53 0.00 -0.93 -0.23 119.26 122.21 2k77 h ALA 17 Ca 0.00 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 17 Cb 1.01 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 2k77 h ALA 17 CO 0.08 0.10 -0.06 0.37 0.00 0.00 0.00 179.25 179.74 2k77 h GLN 18 N 0.75 0.78 -0.43 0.00 4.15 -1.53 -0.88 115.11 117.94 2k77 h GLN 18 Ca 0.36 -0.28 -0.07 0.00 0.77 0.00 0.00 58.65 59.43 2k77 h GLN 18 Cb 0.41 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.03 2k77 h GLN 18 CO -0.14 0.89 -0.01 1.49 -1.93 0.00 0.00 178.83 179.13 2k77 h GLU 19 N 0.60 0.77 -0.25 1.69 4.81 -1.28 -1.39 114.58 119.54 2k77 h GLU 19 Ca 0.11 -0.25 -0.14 0.00 -0.13 0.00 0.00 59.36 58.95 2k77 h GLU 19 Cb 0.58 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.88 2k77 h GLU 19 CO 0.03 0.85 -0.42 0.93 -0.73 0.00 0.00 179.01 179.67 2k77 h GLU 20 N 0.61 0.61 -0.05 1.92 4.39 -1.11 -0.26 114.58 120.69 2k77 h GLU 20 Ca 0.12 -0.32 0.02 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 20 Cb 0.51 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2k77 h GLU 20 CO 0.02 0.92 -0.05 0.00 -1.16 0.00 0.00 179.01 178.74 2k77 h ALA 21 N 1.04 -0.01 -0.38 3.43 0.00 -1.07 -1.62 119.26 120.65 2k77 h ALA 21 Ca 0.04 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.91 2k77 h ALA 21 Cb 0.94 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 2k77 h ALA 21 CO 0.08 -0.53 -0.03 -0.07 0.00 0.00 0.00 179.25 178.70 2k77 h LEU 22 N -0.07 0.58 -0.68 0.00 3.38 -1.11 0.15 115.31 117.56 2k77 h LEU 22 Ca 0.04 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.84 2k77 h LEU 22 Cb 0.12 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2k77 h LEU 22 CO -0.09 0.67 0.29 -0.09 0.09 0.00 0.00 178.44 179.31 2k77 h ARG 23 N 0.58 1.00 0.00 1.13 2.43 -0.87 -2.03 114.38 116.62 2k77 h ARG 23 Ca 0.12 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 2k77 h ARG 23 Cb 0.41 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.80 2k77 h ARG 23 CO 0.02 0.82 0.00 1.28 -1.51 0.00 0.00 179.97 180.57 2k77 n LEU 24 N -4.42 0.00 -0.12 3.80 4.77 -0.63 -4.93 117.00 115.47 2k77 n LEU 24 Ca 0.05 0.12 -0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2k77 n LEU 24 Cb 0.16 -0.12 -0.01 0.00 -2.33 0.00 0.00 43.42 41.12 2k77 n LEU 24 CO 0.39 -0.00 -0.02 0.61 -1.33 0.00 0.00 177.39 177.04 2k77 n GLY 25 N 1.06 0.52 3.66 -0.72 0.00 -0.52 -0.69 105.19 108.50 2k77 n GLY 25 Ca 0.19 -0.69 -0.40 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.03 3.39 -1.88 1.61 3.76 0.40 -1.79 115.29 118.76 2k77 s HIS 26 Ca 0.00 0.97 0.02 0.00 -0.15 0.00 0.00 55.06 55.90 2k77 s HIS 26 Cb 0.00 -2.82 0.05 0.00 1.11 0.00 0.00 32.58 30.92 2k77 s HIS 26 CO 0.00 -0.16 0.99 0.27 -0.85 0.00 0.00 174.74 174.99 2k77 n ASN 27 N 4.98 0.42 -3.84 1.40 6.94 -1.19 -3.48 115.26 120.49 2k77 n ASN 27 Ca -0.01 -2.01 -0.10 0.00 -0.02 0.00 0.00 54.58 52.44 2k77 n ASN 27 Cb 0.50 -0.09 -0.08 0.00 -2.36 0.00 0.00 39.78 37.74 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 -0.89 0.04 -0.25 0.53 2.20 -1.26 -3.46 114.94 111.85 2k77 s ASN 28 Ca 0.04 -0.41 -0.14 0.00 -0.94 0.00 0.00 52.86 51.41 2k77 s ASN 28 Cb 0.02 0.30 -0.04 0.00 -2.00 0.00 0.00 41.25 39.53 2k77 s ASN 28 CO 0.02 -0.59 0.33 -0.63 -2.94 0.00 0.00 177.10 173.29 2k77 s ILE 29 N -2.80 5.23 0.53 0.54 1.01 0.11 -4.90 121.20 120.91 2k77 s ILE 29 Ca -0.03 0.50 0.08 0.00 0.00 0.00 0.00 60.65 61.20 2k77 s ILE 29 Cb 0.00 -3.66 0.06 0.00 0.01 0.00 0.00 42.46 38.87 2k77 s ILE 29 CO -0.05 0.22 0.65 -0.83 0.00 0.00 0.00 174.94 174.93 2k77 s GLY 30 N 1.39 1.92 0.28 6.18 0.00 -1.26 -1.53 107.32 114.29 2k77 s GLY 30 Ca 0.14 -1.89 -0.00 0.00 0.00 0.00 0.00 44.72 42.97 2k77 s GLY 30 CO 0.09 -1.70 1.86 -0.91 0.00 0.00 0.00 173.10 172.43 2k77 h THR 31 N 0.43 1.00 -0.61 0.90 1.35 -1.93 -1.52 112.91 112.53 2k77 h THR 31 Ca -0.34 -0.37 0.12 0.00 -0.55 0.00 0.00 66.41 65.28 2k77 h THR 31 Cb 1.29 -0.17 -0.09 0.00 -1.73 0.00 0.00 68.15 67.45 2k77 h THR 31 CO 0.46 0.20 0.10 1.05 -0.25 0.00 0.00 175.52 177.08 2k77 h GLU 32 N 1.07 0.22 -0.00 4.72 9.09 -1.95 -0.89 114.58 126.84 2k77 h GLU 32 Ca 0.46 -0.01 -0.18 0.00 0.05 0.00 0.00 59.36 59.68 2k77 h GLU 32 Cb 0.34 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.37 2k77 h GLU 32 CO -0.22 0.15 -0.82 0.45 0.05 0.00 0.00 179.01 178.61 2k77 h HIS 33 N 0.23 0.16 -0.34 2.06 3.86 -1.65 -0.14 115.15 119.32 2k77 h HIS 33 Ca 0.32 -0.09 -0.06 0.00 -1.16 0.00 0.00 60.37 59.39 2k77 h HIS 33 Cb 0.50 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.94 2k77 h HIS 33 CO -0.27 0.88 -0.02 0.82 0.86 0.00 0.00 177.93 180.20 2k77 h ILE 34 N 0.06 1.26 -0.35 2.45 2.04 -1.18 0.82 117.51 122.62 2k77 h ILE 34 Ca -0.03 -1.02 -0.03 0.00 1.00 0.00 0.00 64.86 64.79 2k77 h ILE 34 Cb 1.43 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 38.74 2k77 h ILE 34 CO 0.12 0.33 0.12 0.25 0.00 0.00 0.00 178.15 178.97 2k77 h LEU 35 N 0.42 0.51 -0.97 1.44 5.85 -1.05 -1.08 115.31 120.43 2k77 h LEU 35 Ca 0.09 -0.19 -0.07 0.00 0.84 0.00 0.00 57.88 58.55 2k77 h LEU 35 Cb 0.49 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k77 h LEU 35 CO 0.02 0.56 -0.05 0.25 -0.34 0.00 0.00 178.44 178.88 2k77 h LEU 36 N 0.42 0.66 -1.06 2.25 5.85 -1.01 -2.00 115.31 120.42 2k77 h LEU 36 Ca 0.12 -0.17 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 36 Cb 0.23 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 2k77 h LEU 36 CO -0.01 0.77 0.16 1.23 -0.34 0.00 0.00 178.44 180.25 2k77 h GLY 37 N 0.95 0.89 1.00 3.75 0.00 -0.68 -0.70 103.07 108.28 2k77 h GLY 37 Ca 0.12 -0.49 -0.02 0.00 0.00 0.00 0.00 47.33 46.94 2k77 h GLY 37 CO 0.02 0.46 -0.15 1.41 0.00 0.00 0.00 176.54 178.29 2k77 h LEU 38 N 0.80 -0.36 -1.05 3.11 3.38 -0.57 -1.37 115.31 119.24 2k77 h LEU 38 Ca 0.18 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 38 Cb 0.26 0.09 -0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 38 CO -0.01 -0.25 -0.09 -0.37 0.09 0.00 0.00 178.44 177.81 2k77 h VAL 39 N -0.44 0.21 -0.13 1.22 -1.51 -1.33 -1.44 116.25 112.85 2k77 h VAL 39 Ca -0.04 -0.85 -0.13 0.00 -1.23 0.00 0.00 66.70 64.44 2k77 h VAL 39 Cb 0.33 1.71 -0.01 0.00 -2.13 0.00 0.00 31.29 31.19 2k77 h VAL 39 CO 0.07 0.09 -0.50 -0.09 -1.23 0.00 0.00 177.57 175.91 2k77 h ARG 40 N 0.00 0.34 -0.11 5.19 9.65 -1.01 -3.20 114.38 125.23 2k77 h ARG 40 Ca -0.00 -0.20 -0.07 0.00 -1.10 0.00 0.00 59.98 58.61 2k77 h ARG 40 Cb 0.70 0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 2k77 h ARG 40 CO 0.01 0.77 -0.21 1.49 2.80 0.00 0.00 179.97 184.83 2k77 h GLU 41 N 0.27 0.34 0.00 0.20 4.57 -0.81 -3.47 114.58 115.67 2k77 h GLU 41 Ca 0.01 -0.21 0.00 0.00 -1.18 0.00 0.00 59.36 57.98 2k77 h GLU 41 Cb 0.98 0.02 0.00 0.00 -0.16 0.00 0.00 28.75 29.60 2k77 h GLU 41 CO 0.08 0.80 0.00 0.41 -1.18 0.00 0.00 179.01 179.13 2k77 n GLY 42 N 0.40 1.56 0.01 1.92 0.00 -0.58 -4.60 105.19 103.90 2k77 n GLY 42 Ca -0.07 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.05 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -0.47 0.57 -0.97 1.61 4.07 -1.26 -4.01 120.64 120.18 2k77 n GLU 43 Ca 0.00 -0.15 -0.31 0.00 -0.06 0.00 0.00 57.16 56.63 2k77 n GLU 43 Cb 0.00 -1.49 0.13 0.00 -0.06 0.00 0.00 31.44 30.02 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 2k77 s GLY 44 N -4.12 1.76 0.22 8.31 0.00 -1.26 -4.74 107.32 107.49 2k77 s GLY 44 Ca -0.05 0.52 -0.09 0.00 0.00 0.00 0.00 44.72 45.11 2k77 s GLY 44 CO 0.86 0.91 1.85 -2.22 0.00 0.00 0.00 173.10 174.51 2k77 h ILE 45 N -1.44 1.09 -0.57 0.90 1.08 -1.93 0.05 117.51 116.68 2k77 h ILE 45 Ca -0.44 -0.32 -0.10 0.00 -0.39 0.00 0.00 64.86 63.62 2k77 h ILE 45 Cb 1.26 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 35.08 2k77 h ILE 45 CO 0.46 0.17 -0.03 0.00 -0.69 0.00 0.00 178.15 178.05 2k77 h ALA 46 N 1.33 0.77 -0.58 1.87 0.00 -1.90 0.18 119.26 120.93 2k77 h ALA 46 Ca 0.31 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 2k77 h ALA 46 Cb 0.04 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2k77 h ALA 46 CO -0.12 0.63 -0.05 0.00 0.00 0.00 0.00 179.25 179.71 2k77 h ALA 47 N 0.96 0.80 -0.69 0.00 0.00 -1.68 -0.33 119.26 118.32 2k77 h ALA 47 Ca 0.16 -0.33 -0.03 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 47 Cb 0.59 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.14 2k77 h ALA 47 CO 0.04 0.67 0.32 -0.22 0.00 0.00 0.00 179.25 180.06 2k77 h LYS 48 N 0.96 0.99 -0.48 0.00 1.63 -0.87 -1.25 116.57 117.53 2k77 h LYS 48 Ca 0.16 -0.14 -0.10 0.00 -0.85 0.00 0.00 60.65 59.72 2k77 h LYS 48 Cb 0.62 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 32.05 2k77 h LYS 48 CO 0.04 0.77 -0.10 0.00 -3.45 0.00 0.00 179.45 176.71 2k77 h ALA 49 N 1.38 0.66 -0.14 5.00 0.00 -0.64 -0.38 119.26 125.14 2k77 h ALA 49 Ca 0.24 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 49 Cb 0.11 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k77 h ALA 49 CO -0.03 0.55 0.09 -0.07 0.00 0.00 0.00 179.25 179.79 2k77 h LEU 50 N 0.77 0.17 -1.07 0.00 3.38 -0.75 -0.99 115.31 116.82 2k77 h LEU 50 Ca 0.12 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2k77 h LEU 50 Cb 0.64 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.31 2k77 h LEU 50 CO 0.04 0.15 0.42 1.56 0.09 0.00 0.00 178.44 180.70 2k77 h GLN 51 N 0.17 1.07 -0.27 1.13 7.50 -1.21 -0.63 115.11 122.87 2k77 h GLN 51 Ca 0.05 -0.12 -0.07 0.00 0.50 0.00 0.00 58.65 59.01 2k77 h GLN 51 Cb 0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 27.48 27.31 2k77 h GLN 51 CO -0.01 0.78 -0.12 0.00 -1.50 0.00 0.00 178.83 177.98 2k77 h ALA 52 N 1.39 1.28 0.00 3.87 0.00 -0.76 -1.28 119.26 123.76 2k77 h ALA 52 Ca 0.27 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2k77 h ALA 52 Cb 0.03 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 17.69 2k77 h ALA 52 CO -0.04 0.47 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2k77 n LEU 53 N -4.21 0.00 0.00 0.00 4.77 -0.40 -4.89 117.00 112.27 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 0.40 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.07 2k77 n GLY 54 N 0.38 0.78 3.42 -0.72 0.00 -0.48 -4.98 105.19 103.58 2k77 n GLY 54 Ca 0.04 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.61 2k77 n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k77 s LEU 55 N 0.00 5.46 0.65 0.99 1.43 -0.28 -4.96 118.68 121.98 2k77 s LEU 55 Ca 0.00 -2.39 -0.17 0.00 -1.03 0.00 0.00 54.13 50.54 2k77 s LEU 55 Cb 0.00 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 2k77 s LEU 55 CO 0.00 -0.88 1.23 -0.83 0.23 0.00 0.00 176.35 176.10 2k77 s GLY 56 N 3.11 2.66 0.35 -3.19 0.00 -1.26 -3.32 107.32 105.66 2k77 s GLY 56 Ca 0.31 1.03 0.07 0.00 0.00 0.00 0.00 44.72 46.13 2k77 s GLY 56 CO -0.08 1.43 1.89 1.76 0.00 0.00 0.00 173.10 178.10 2k77 h SER 57 N 0.44 0.70 -0.49 1.64 0.02 -1.96 -1.57 113.55 112.32 2k77 h SER 57 Ca -0.50 0.03 -0.04 0.00 -0.84 0.00 0.00 61.79 60.44 2k77 h SER 57 Cb 1.31 -0.11 -0.03 0.00 0.14 0.00 0.00 62.40 63.71 2k77 h SER 57 CO 0.53 0.39 0.16 -0.08 -1.14 0.00 0.00 176.83 176.68 2k77 h GLU 58 N 0.76 0.82 -0.28 3.45 4.81 -1.95 -0.51 114.58 121.68 2k77 h GLU 58 Ca 0.42 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2k77 h GLU 58 Cb 0.56 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.81 2k77 h GLU 58 CO -0.18 0.72 -0.15 0.87 -0.73 0.00 0.00 179.01 179.53 2k77 h LYS 59 N 0.80 0.59 -0.18 1.92 1.79 -1.65 -0.60 116.57 119.23 2k77 h LYS 59 Ca 0.18 -0.27 -0.02 0.00 -2.18 0.00 0.00 60.65 58.36 2k77 h LYS 59 Cb 0.25 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 30.88 2k77 h LYS 59 CO -0.01 0.84 0.03 0.82 -1.08 0.00 0.00 179.45 180.06 2k77 h ILE 60 N 0.33 1.22 -0.52 1.86 2.04 -1.49 -2.50 117.51 118.45 2k77 h ILE 60 Ca 0.06 -0.69 0.05 0.00 1.00 0.00 0.00 64.86 65.27 2k77 h ILE 60 Cb 0.68 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.05 2k77 h ILE 60 CO 0.04 0.21 0.26 -0.61 0.00 0.00 0.00 178.15 178.06 2k77 h GLN 61 N 0.09 0.49 0.00 2.37 4.15 -0.98 -0.36 115.11 120.87 2k77 h GLN 61 Ca 0.05 -0.03 -0.14 0.00 0.77 0.00 0.00 58.65 59.31 2k77 h GLN 61 Cb 0.29 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.85 2k77 h GLN 61 CO 0.00 0.32 -0.67 0.87 -1.93 0.00 0.00 178.83 177.43 2k77 h LYS 62 N 0.50 0.00 -0.20 1.69 1.79 -1.13 -0.27 116.57 118.96 2k77 h LYS 62 Ca 0.23 0.00 -0.17 0.00 -2.18 0.00 0.00 60.65 58.53 2k77 h LYS 62 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 2k77 h LYS 62 CO -0.16 0.67 -0.55 0.93 -1.08 0.00 0.00 179.45 179.25 2k77 h GLU 63 N 0.00 0.61 0.64 3.15 4.39 -1.19 -1.32 114.58 120.85 2k77 h GLU 63 Ca -0.01 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.28 2k77 h GLU 63 Cb 1.26 0.05 0.01 0.00 -0.10 0.00 0.00 28.75 29.97 2k77 h GLU 63 CO 0.09 1.00 -0.31 0.28 -1.16 0.00 0.00 179.01 178.91 2k77 h VAL 64 N 0.46 0.38 -0.81 3.13 2.07 -0.88 -2.97 116.25 117.62 2k77 h VAL 64 Ca 0.01 -0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 64 Cb 1.11 0.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.21 2k77 h VAL 64 CO 0.11 0.00 0.54 -0.33 0.02 0.00 0.00 177.57 177.90 2k77 h GLU 65 N -0.86 1.00 0.00 1.57 5.08 -1.06 -1.30 114.58 119.01 2k77 h GLU 65 Ca -0.09 -0.06 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2k77 h GLU 65 Cb 0.65 -0.23 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 2k77 h GLU 65 CO 0.14 0.66 -0.03 0.77 -1.00 0.00 0.00 179.01 179.56 2k77 h SER 66 N 1.03 0.00 0.11 1.42 0.02 -1.24 -0.81 113.55 114.08 2k77 h SER 66 Ca 0.32 0.00 -0.35 0.00 -0.84 0.00 0.00 61.79 60.92 2k77 h SER 66 Cb 0.00 0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.48 2k77 h SER 66 CO -0.09 0.03 -2.23 0.18 -1.14 0.00 0.00 176.83 173.57 2k77 n LEU 67 N -3.15 0.22 -0.02 5.07 4.77 -0.58 -4.73 117.00 118.58 2k77 n LEU 67 Ca -0.00 0.10 0.00 0.00 -0.03 0.00 0.00 56.01 56.07 2k77 n LEU 67 Cb 0.26 0.42 -0.07 0.00 -2.33 0.00 0.00 43.42 41.69 2k77 n LEU 67 CO 0.26 0.48 -0.69 2.30 -1.33 0.00 0.00 177.39 178.41 2k77 n ILE 68 N -2.82 0.28 -4.46 -0.08 -5.35 -0.68 -5.12 119.36 101.13 2k77 n ILE 68 Ca -0.29 -0.28 0.00 0.00 -0.27 0.00 0.00 62.75 61.91 2k77 n ILE 68 Cb 1.13 -0.23 0.00 0.00 -1.74 0.00 0.00 39.64 38.80 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 2.23 0.57 3.69 3.28 0.00 -0.31 -4.63 105.19 110.02 2k77 n GLY 69 Ca -0.08 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.68 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 6.06 -1.26 -4.91 118.95 124.65 2k77 s ARG 70 Ca 0.00 2.29 0.00 0.00 -2.50 0.00 0.00 55.73 55.52 2k77 s ARG 70 Cb 0.00 -3.59 0.00 0.00 0.06 0.00 0.00 34.95 31.42 2k77 s ARG 70 CO 0.00 -0.71 0.00 0.41 -2.50 0.00 0.00 175.30 172.50 2k77 n GLY 71 N 3.95 -0.77 3.35 8.12 0.00 0.13 -4.95 105.19 115.02 2k77 n GLY 71 Ca 0.15 -1.71 -0.38 0.00 0.00 0.00 0.00 46.02 44.08 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -0.83 2.39 -1.99 1.61 3.00 -0.87 -4.71 117.38 115.97 2k77 n GLN 72 Ca 0.00 -2.69 -0.42 0.00 -0.01 0.00 0.00 57.00 53.88 2k77 n GLN 72 Cb 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 30.24 26.80 2k77 n GLN 72 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 2k77 n GLU 73 N 7.73 3.15 0.00 -1.09 2.13 -0.74 -3.14 120.64 128.68 2k77 n GLU 73 Ca 0.48 -2.97 0.10 0.00 0.66 0.00 0.00 57.16 55.43 2k77 n GLU 73 Cb 0.44 -3.16 0.00 0.00 0.27 0.00 0.00 31.44 28.99 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N 5.34 1.40 -3.23 5.31 2.81 -1.26 -5.07 117.12 122.42 2k77 n MET 74 Ca 0.47 -1.01 -0.23 0.00 -1.81 0.00 0.00 57.70 55.12 2k77 n MET 74 Cb 0.38 -1.42 0.02 0.00 -0.71 0.00 0.00 33.22 31.50 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N 0.04 -6.52 -3.30 7.83 7.64 -1.26 -5.05 113.62 112.99 2k77 n SER 75 Ca 0.09 0.22 -0.18 0.00 1.01 0.00 0.00 58.87 60.00 2k77 n SER 75 Cb 0.44 -3.01 -0.07 0.00 -1.01 0.00 0.00 64.21 60.56 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k77 s GLN 76 N -2.29 1.81 0.22 1.43 -2.07 -1.26 -5.14 119.66 112.36 2k77 s GLN 76 Ca 0.28 -1.96 -0.32 0.00 -1.82 0.00 0.00 55.36 51.53 2k77 s GLN 76 Cb -0.04 0.36 -0.14 0.00 -1.09 0.00 0.00 33.01 32.10 2k77 s GLN 76 CO 0.75 -0.70 1.43 2.41 -1.32 0.00 0.00 175.29 177.86 2k77 n THR 77 N -0.62 0.71 -2.25 3.63 -1.04 -1.26 -4.94 114.28 108.51 2k77 n THR 77 Ca 0.06 -0.18 -0.35 0.00 -2.04 0.00 0.00 64.05 61.54 2k77 n THR 77 Cb 0.62 -1.44 0.00 0.00 -1.82 0.00 0.00 70.33 67.69 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 0.16 3.15 0.11 12.58 1.09 -1.26 -4.91 121.20 132.12 2k77 s ILE 78 Ca 0.71 0.72 0.03 0.00 -1.10 0.00 0.00 60.65 61.01 2k77 s ILE 78 Cb -0.67 -3.29 -0.04 0.00 -1.06 0.00 0.00 42.46 37.40 2k77 s ILE 78 CO 0.47 -0.15 -0.09 -2.28 -0.10 0.00 0.00 174.94 172.79 2k77 s HIS 79 N -1.77 1.06 -0.09 3.97 2.46 -1.22 -5.00 115.29 114.69 2k77 s HIS 79 Ca 0.73 -0.80 -0.17 0.00 0.47 0.00 0.00 55.06 55.29 2k77 s HIS 79 Cb -0.24 -0.57 -0.05 0.00 -0.13 0.00 0.00 32.58 31.59 2k77 s HIS 79 CO 0.27 -0.03 0.43 0.71 -2.47 0.00 0.00 174.74 173.65 2k77 s TYR 80 N -3.23 3.57 0.87 3.88 1.51 -1.26 -0.71 117.35 121.96 2k77 s TYR 80 Ca 0.12 0.88 -0.10 0.00 -1.01 0.00 0.00 57.07 56.95 2k77 s TYR 80 Cb 0.02 -2.45 0.12 0.00 -0.11 0.00 0.00 41.96 39.54 2k77 s TYR 80 CO -0.02 0.31 1.12 0.95 -1.11 0.00 0.00 175.55 176.79 2k77 s THR 81 N 0.14 2.61 0.43 -0.71 -4.23 -0.58 -4.77 115.64 108.52 2k77 s THR 81 Ca 0.24 0.20 0.13 0.00 -1.18 0.00 0.00 61.69 61.08 2k77 s THR 81 Cb -0.15 -2.44 0.33 0.00 1.34 0.00 0.00 72.50 71.58 2k77 s THR 81 CO 0.10 -0.26 1.97 -0.65 -0.54 0.00 0.00 174.62 175.25 2k77 h PRO 82 N -1.59 0.42 0.04 3.99 0.11 -1.99 0.28 132.00 133.26 2k77 h PRO 82 Ca -0.44 -0.03 -0.22 0.00 0.11 0.00 0.00 66.00 65.42 2k77 h PRO 82 Cb 1.26 -0.10 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 2k77 h PRO 82 CO 0.47 0.28 -1.02 0.00 -0.21 0.00 0.00 178.00 177.52 2k77 h ARG 83 N 0.44 0.13 -0.51 1.05 3.08 -1.94 -0.96 114.38 115.67 2k77 h ARG 83 Ca 0.29 -0.19 -0.12 0.00 0.07 0.00 0.00 59.98 60.02 2k77 h ARG 83 Cb 0.54 0.07 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 2k77 h ARG 83 CO -0.08 1.03 -0.17 0.00 -1.07 0.00 0.00 179.97 179.68 2k77 h ALA 84 N 0.89 0.73 -0.64 0.04 0.00 -1.65 -0.26 119.26 118.37 2k77 h ALA 84 Ca -0.05 -0.37 0.01 0.00 0.00 0.00 0.00 54.91 54.49 2k77 h ALA 84 Cb 1.72 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.30 2k77 h ALA 84 CO 0.15 0.67 0.43 -0.22 0.00 0.00 0.00 179.25 180.28 2k77 h LYS 85 N 0.89 0.85 -0.64 0.00 3.64 -0.96 -0.39 116.57 119.95 2k77 h LYS 85 Ca 0.13 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 85 Cb 0.74 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.34 2k77 h LYS 85 CO 0.06 0.56 0.37 -0.22 -2.27 0.00 0.00 179.45 177.95 2k77 h LYS 86 N 0.87 0.89 -0.38 1.90 3.64 -1.03 -1.20 116.57 121.25 2k77 h LYS 86 Ca 0.24 -0.09 0.03 0.00 -1.27 0.00 0.00 60.65 59.55 2k77 h LYS 86 Cb -0.10 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 31.51 2k77 h LYS 86 CO -0.05 0.65 0.18 0.28 -2.27 0.00 0.00 179.45 178.25 2k77 h VAL 87 N 0.88 0.97 -0.51 2.00 2.07 -0.70 0.09 116.25 121.04 2k77 h VAL 87 Ca 0.23 -0.13 0.01 0.00 0.82 0.00 0.00 66.70 67.63 2k77 h VAL 87 Cb 0.01 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.31 2k77 h VAL 87 CO -0.04 0.07 0.33 0.40 0.02 0.00 0.00 177.57 178.35 2k77 h ILE 88 N 0.38 1.12 -0.43 4.57 1.08 -0.72 0.12 117.51 123.63 2k77 h ILE 88 Ca 0.16 -0.23 -0.13 0.00 -0.39 0.00 0.00 64.86 64.27 2k77 h ILE 88 Cb 0.08 0.38 -0.01 0.00 -3.07 0.00 0.00 36.82 34.19 2k77 h ILE 88 CO -0.12 0.12 -0.25 -0.33 -0.69 0.00 0.00 178.15 176.88 2k77 h GLU 89 N 0.68 0.91 -0.51 2.37 5.08 -1.04 -2.31 114.58 119.76 2k77 h GLU 89 Ca 0.19 -0.40 -0.09 0.00 -1.00 0.00 0.00 59.36 58.06 2k77 h GLU 89 Cb -0.06 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2k77 h GLU 89 CO -0.05 1.06 -0.06 -0.07 -1.00 0.00 0.00 179.01 178.89 2k77 h LEU 90 N 0.78 0.89 -1.00 1.33 3.38 -0.72 -0.48 115.31 119.49 2k77 h LEU 90 Ca 0.10 -0.26 -0.02 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 90 Cb 0.82 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2k77 h LEU 90 CO 0.07 0.98 0.38 0.28 0.09 0.00 0.00 178.44 180.24 2k77 h SER 91 N 0.82 0.98 0.68 -0.43 0.02 -0.66 0.55 113.55 115.52 2k77 h SER 91 Ca 0.14 -0.10 -0.19 0.00 -0.84 0.00 0.00 61.79 60.80 2k77 h SER 91 Cb 0.57 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 2k77 h SER 91 CO 0.03 0.82 -0.85 -0.03 -1.14 0.00 0.00 176.83 175.66 2k77 h MET 92 N 1.08 0.11 -0.46 3.45 1.85 -1.18 -1.15 114.93 118.63 2k77 h MET 92 Ca 0.27 -0.12 -0.12 0.00 -0.61 0.00 0.00 59.70 59.11 2k77 h MET 92 Cb 0.09 0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.14 2k77 h MET 92 CO -0.04 0.89 -0.20 0.22 -0.40 0.00 0.00 176.91 177.39 2k77 h ASP 93 N 0.06 0.98 -0.26 1.39 3.58 -0.78 -1.88 116.42 119.51 2k77 h ASP 93 Ca -0.03 -0.39 0.00 0.00 0.42 0.00 0.00 57.03 57.03 2k77 h ASP 93 Cb 1.48 -0.27 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2k77 h ASP 93 CO 0.12 1.15 0.17 -0.33 -2.88 0.00 0.00 179.24 177.47 2k77 h GLU 94 N 0.80 0.34 -0.18 0.28 4.39 -0.87 -0.79 114.58 118.55 2k77 h GLU 94 Ca 0.11 -0.02 0.04 0.00 0.34 0.00 0.00 59.36 59.82 2k77 h GLU 94 Cb 0.77 -0.08 -0.04 0.00 -0.10 0.00 0.00 28.75 29.31 2k77 h GLU 94 CO 0.06 0.24 -0.06 0.00 -1.16 0.00 0.00 179.01 178.09 2k77 h ALA 95 N 1.08 0.10 -0.53 3.43 0.00 -1.18 -1.32 119.26 120.84 2k77 h ALA 95 Ca 0.09 0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 2k77 h ALA 95 Cb -0.03 0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2k77 h ALA 95 CO -0.02 -0.50 0.31 0.00 0.00 0.00 0.00 179.25 179.04 2k77 h ARG 96 N -0.03 0.74 -0.11 0.00 3.08 -1.23 0.11 114.38 116.93 2k77 h ARG 96 Ca 0.09 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.02 2k77 h ARG 96 Cb 0.17 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 2k77 h ARG 96 CO -0.20 0.55 -0.16 0.87 -1.07 0.00 0.00 179.97 179.96 2k77 h LYS 97 N 0.72 0.18 -0.05 0.04 1.57 -0.94 -2.48 116.57 115.61 2k77 h LYS 97 Ca 0.19 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2k77 h LYS 97 Cb 0.02 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.30 2k77 h LYS 97 CO -0.03 0.35 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 2k77 n LEU 98 N -4.27 1.21 0.00 2.94 4.32 -0.51 -4.95 117.00 115.74 2k77 n LEU 98 Ca -0.01 -0.43 0.00 0.00 -0.02 0.00 0.00 56.01 55.54 2k77 n LEU 98 Cb 0.28 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 42.05 2k77 n LEU 98 CO 0.38 0.22 0.00 0.61 -1.22 0.00 0.00 177.39 177.37 2k77 n GLY 99 N 1.12 0.54 3.74 -0.72 0.00 -0.87 -5.06 105.19 103.95 2k77 n GLY 99 Ca 0.19 -0.41 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 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 3.48 -0.00 1.61 3.76 -0.03 -4.99 115.29 117.11 2k77 s HIS 100 Ca 0.00 0.59 -0.23 0.00 -0.15 0.00 0.00 55.06 55.27 2k77 s HIS 100 Cb 0.00 -2.30 -0.19 0.00 1.11 0.00 0.00 32.58 31.21 2k77 s HIS 100 CO 0.00 0.30 1.22 0.77 -0.85 0.00 0.00 174.74 176.18 2k77 h SER 101 N 6.44 0.25 -3.00 1.40 0.02 -1.95 -3.16 113.55 113.55 2k77 h SER 101 Ca -0.43 -0.58 -0.50 0.00 -0.84 0.00 0.00 61.79 59.44 2k77 h SER 101 Cb 1.17 -0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.64 2k77 h SER 101 CO 0.74 0.78 -0.17 -0.72 -1.14 0.00 0.00 176.83 176.32 2k77 s TYR 102 N -3.90 3.49 -0.26 3.45 -0.85 -1.26 -4.70 117.35 113.32 2k77 s TYR 102 Ca -0.15 0.49 -0.19 0.00 -0.52 0.00 0.00 57.07 56.70 2k77 s TYR 102 Cb 0.03 -1.99 -0.02 0.00 0.38 0.00 0.00 41.96 40.36 2k77 s TYR 102 CO 0.73 0.15 0.56 0.08 -1.52 0.00 0.00 175.55 175.55 2k77 s VAL 103 N -2.20 5.03 0.68 -3.49 1.01 -0.20 -4.87 120.40 116.37 2k77 s VAL 103 Ca 0.42 0.94 -0.03 0.00 0.00 0.00 0.00 61.98 63.30 2k77 s VAL 103 Cb -0.10 -3.87 0.08 0.00 0.00 0.00 0.00 36.38 32.48 2k77 s VAL 103 CO 0.33 0.05 0.95 -0.83 0.00 0.00 0.00 175.10 175.60 2k77 s GLY 104 N 1.54 1.76 0.24 4.51 0.00 -1.26 -1.05 107.32 113.06 2k77 s GLY 104 Ca 0.23 -1.28 -0.05 0.00 0.00 0.00 0.00 44.72 43.62 2k77 s GLY 104 CO 0.09 -0.85 1.85 -0.91 0.00 0.00 0.00 173.10 173.29 2k77 h THR 105 N -0.44 1.03 -0.43 0.90 1.35 -1.93 -0.78 112.91 112.61 2k77 h THR 105 Ca -0.42 -0.33 0.08 0.00 -0.55 0.00 0.00 66.41 65.19 2k77 h THR 105 Cb 1.29 -0.02 -0.09 0.00 -1.73 0.00 0.00 68.15 67.59 2k77 h THR 105 CO 0.51 0.18 -0.37 1.05 -0.25 0.00 0.00 175.52 176.64 2k77 h GLU 106 N 0.97 -0.26 -0.08 4.72 9.09 -1.94 -1.81 114.58 125.27 2k77 h GLU 106 Ca 0.38 0.02 -0.10 0.00 0.05 0.00 0.00 59.36 59.71 2k77 h GLU 106 Cb 0.19 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.34 2k77 h GLU 106 CO -0.18 -0.17 -0.40 0.45 0.05 0.00 0.00 179.01 178.76 2k77 h HIS 107 N -0.27 0.20 -0.17 2.06 3.86 -1.71 -1.59 115.15 117.53 2k77 h HIS 107 Ca 0.17 -0.05 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 107 Cb 0.56 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 28.96 2k77 h HIS 107 CO -0.59 0.55 0.03 0.82 0.86 0.00 0.00 177.93 179.60 2k77 h ILE 108 N 0.15 0.92 -0.57 2.45 2.04 -0.74 -0.63 117.51 121.12 2k77 h ILE 108 Ca 0.01 -0.03 -0.04 0.00 1.00 0.00 0.00 64.86 65.80 2k77 h ILE 108 Cb 0.77 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 37.64 2k77 h ILE 108 CO 0.06 0.02 0.19 0.25 0.00 0.00 0.00 178.15 178.67 2k77 h LEU 109 N 0.09 0.83 -1.47 1.44 5.85 -0.92 -0.83 115.31 120.30 2k77 h LEU 109 Ca 0.08 -0.20 0.05 0.00 0.84 0.00 0.00 57.88 58.65 2k77 h LEU 109 Cb 0.08 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 2k77 h LEU 109 CO -0.11 0.81 0.42 -0.07 -0.34 0.00 0.00 178.44 179.15 2k77 h LEU 110 N 0.80 0.58 -0.33 2.25 3.38 -1.10 -1.22 115.31 119.68 2k77 h LEU 110 Ca 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 57.88 58.12 2k77 h LEU 110 Cb 0.27 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 2k77 h LEU 110 CO -0.01 0.38 0.07 1.23 0.09 0.00 0.00 178.44 180.21 2k77 h GLY 111 N 0.66 0.57 1.48 0.83 0.00 -0.58 -2.42 103.07 103.62 2k77 h GLY 111 Ca 0.27 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.20 2k77 h GLY 111 CO -0.08 0.34 0.15 1.41 0.00 0.00 0.00 176.54 178.36 2k77 h LEU 112 N 0.37 0.61 0.12 3.11 3.38 -0.03 -0.43 115.31 122.43 2k77 h LEU 112 Ca 0.10 -0.08 -0.27 0.00 0.09 0.00 0.00 57.88 57.72 2k77 h LEU 112 Cb 0.32 -0.16 0.03 0.00 0.09 0.00 0.00 40.66 40.94 2k77 h LEU 112 CO 0.00 0.58 -1.15 0.16 0.09 0.00 0.00 178.44 178.12 2k77 h ILE 113 N 0.65 1.32 0.00 1.22 3.07 -1.38 -3.34 117.51 119.06 2k77 h ILE 113 Ca 0.15 -2.44 -0.03 0.00 1.55 0.00 0.00 64.86 64.09 2k77 h ILE 113 Cb 0.18 2.77 -0.00 0.00 -0.27 0.00 0.00 36.82 39.50 2k77 h ILE 113 CO -0.01 0.73 -0.15 -0.09 -1.05 0.00 0.00 178.15 177.58 2k77 h ARG 114 N 0.16 0.00 -0.62 0.16 2.43 -1.22 -3.14 114.38 112.14 2k77 h ARG 114 Ca -0.18 0.00 0.10 0.00 -0.81 0.00 0.00 59.98 59.09 2k77 h ARG 114 Cb 1.84 0.00 -0.08 0.00 -0.42 0.00 0.00 29.97 31.32 2k77 h ARG 114 CO 0.22 0.15 0.23 1.49 -1.51 0.00 0.00 179.97 180.55 2k77 h GLU 115 N 0.00 0.39 0.00 0.20 4.57 -1.19 -3.46 114.58 115.09 2k77 h GLU 115 Ca -0.00 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 2k77 h GLU 115 Cb 0.55 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.06 2k77 h GLU 115 CO 0.02 0.26 0.00 0.41 -1.18 0.00 0.00 179.01 178.52 2k77 n GLY 116 N -1.30 1.14 0.06 1.92 0.00 -1.19 -4.55 105.19 101.27 2k77 n GLY 116 Ca 0.09 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.14 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 0.00 0.66 -1.12 1.61 1.02 -1.26 -4.84 120.64 116.71 2k77 n GLU 117 Ca 0.00 -0.04 -0.30 0.00 -0.02 0.00 0.00 57.16 56.80 2k77 n GLU 117 Cb 0.00 -1.60 0.15 0.00 -0.02 0.00 0.00 31.44 29.98 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 118 N -4.83 1.61 0.31 0.62 0.00 -1.26 -4.96 107.32 98.81 2k77 s GLY 118 Ca -0.07 -0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.58 2k77 s GLY 118 CO 0.86 0.44 1.89 -2.08 0.00 0.00 0.00 173.10 174.21 2k77 h VAL 119 N -1.70 1.20 -0.54 1.40 2.07 -1.95 -3.16 116.25 113.58 2k77 h VAL 119 Ca -0.51 -0.65 0.05 0.00 0.82 0.00 0.00 66.70 66.41 2k77 h VAL 119 Cb 1.29 0.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 2k77 h VAL 119 CO 0.54 0.25 0.28 0.00 0.02 0.00 0.00 177.57 178.66 2k77 h ALA 120 N 1.45 0.70 -0.51 1.67 0.00 -1.89 0.42 119.26 121.09 2k77 h ALA 120 Ca 0.18 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 2k77 h ALA 120 Cb 0.18 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2k77 h ALA 120 CO -0.01 -0.07 0.11 0.00 0.00 0.00 0.00 179.25 179.28 2k77 h ALA 121 N 1.29 1.23 -0.34 0.00 0.00 -1.67 -2.43 119.26 117.34 2k77 h ALA 121 Ca 0.24 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 2k77 h ALA 121 Cb 0.15 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2k77 h ALA 121 CO -0.17 0.53 -0.05 0.00 0.00 0.00 0.00 179.25 179.56 2k77 h ARG 122 N 0.76 0.64 -0.23 0.00 -0.00 -1.32 -2.54 114.38 111.70 2k77 h ARG 122 Ca 0.17 -0.23 0.03 0.00 -0.50 0.00 0.00 59.98 59.44 2k77 h ARG 122 Cb 0.31 -0.04 -0.03 0.00 0.00 0.00 0.00 29.97 30.20 2k77 h ARG 122 CO 0.00 0.80 0.05 0.28 0.00 0.00 0.00 179.97 181.10 2k77 h VAL 123 N 0.44 0.91 -0.56 2.04 2.07 -0.77 0.53 116.25 120.91 2k77 h VAL 123 Ca 0.09 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.54 2k77 h VAL 123 Cb 0.54 0.75 -0.03 0.00 -1.52 0.00 0.00 31.29 31.03 2k77 h VAL 123 CO 0.03 0.03 0.27 -0.07 0.02 0.00 0.00 177.57 177.85 2k77 h LEU 124 N 0.15 0.73 -0.80 2.57 3.38 -1.47 -2.08 115.31 117.79 2k77 h LEU 124 Ca 0.10 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 124 Cb 0.09 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 2k77 h LEU 124 CO -0.13 0.65 -0.52 0.78 0.09 0.00 0.00 178.44 179.30 2k77 h ASN 125 N 0.75 0.22 -0.64 -0.43 2.35 -1.16 0.32 115.58 116.99 2k77 h ASN 125 Ca 0.19 -0.11 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 2k77 h ASN 125 Cb 0.11 -0.06 -0.02 0.00 0.05 0.00 0.00 38.32 38.39 2k77 h ASN 125 CO -0.03 0.71 0.09 0.78 -1.65 0.00 0.00 177.43 177.33 2k77 h ASN 126 N 0.16 1.04 0.46 5.81 2.35 -0.70 -3.21 115.58 121.48 2k77 h ASN 126 Ca 0.00 -0.27 -0.23 0.00 -0.55 0.00 0.00 56.30 55.25 2k77 h ASN 126 Cb 0.98 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.07 2k77 h ASN 126 CO 0.08 1.04 -1.00 -0.07 -1.65 0.00 0.00 177.43 175.83 2k77 h LEU 127 N 0.99 0.44 0.00 1.61 3.38 -1.22 -3.48 115.31 117.03 2k77 h LEU 127 Ca 0.19 -0.38 0.00 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 127 Cb 0.46 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k77 h LEU 127 CO 0.02 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2k77 n GLY 128 N 1.07 -0.43 3.82 0.83 0.00 -0.26 -5.11 105.19 105.10 2k77 n GLY 128 Ca -0.06 0.00 -0.35 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 -0.56 4.46 0.14 1.61 1.01 -0.06 -4.94 120.40 122.05 2k77 s VAL 129 Ca 0.00 1.39 0.04 0.00 0.00 0.00 0.00 61.98 63.41 2k77 s VAL 129 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2k77 s VAL 129 CO 0.00 -0.02 -0.09 -0.44 0.00 0.00 0.00 175.10 174.55 2k77 s SER 130 N -1.91 1.61 0.20 3.32 0.01 -1.26 -3.13 113.70 112.54 2k77 s SER 130 Ca 0.52 -1.02 -0.16 0.00 1.31 0.00 0.00 55.95 56.60 2k77 s SER 130 Cb -0.14 0.02 0.19 0.00 0.21 0.00 0.00 66.02 66.30 2k77 s SER 130 CO 0.19 -0.38 1.62 0.25 0.41 0.00 0.00 173.24 175.34 2k77 h LEU 131 N 2.81 -0.68 -0.46 2.44 6.46 -1.99 -0.91 115.31 123.00 2k77 h LEU 131 Ca -0.36 0.19 -0.14 0.00 -0.12 0.00 0.00 57.88 57.44 2k77 h LEU 131 Cb 1.19 0.41 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 2k77 h LEU 131 CO 0.64 -0.23 -0.66 0.78 -0.62 0.00 0.00 178.44 178.35 2k77 h ASN 132 N -0.05 0.00 -0.03 1.25 2.35 -1.98 -1.56 115.58 115.57 2k77 h ASN 132 Ca 0.27 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.84 2k77 h ASN 132 Cb 0.47 0.00 0.01 0.00 0.05 0.00 0.00 38.32 38.85 2k77 h ASN 132 CO -0.62 0.66 -0.68 0.11 -1.65 0.00 0.00 177.43 175.25 2k77 h LYS 133 N 0.00 0.51 -0.47 0.81 1.57 -1.74 -1.68 116.57 115.56 2k77 h LYS 133 Ca -0.01 -0.51 -0.04 0.00 -1.87 0.00 0.00 60.65 58.23 2k77 h LYS 133 Cb 1.30 0.14 -0.02 0.00 0.08 0.00 0.00 32.23 33.73 2k77 h LYS 133 CO 0.09 1.15 0.15 0.00 -0.57 0.00 0.00 179.45 180.27 2k77 h ALA 134 N 0.37 0.62 -0.09 3.86 0.00 -1.26 -2.42 119.26 120.34 2k77 h ALA 134 Ca -0.08 -0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.70 2k77 h ALA 134 Cb 1.37 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.92 2k77 h ALA 134 CO 0.14 0.27 -0.25 0.00 0.00 0.00 0.00 179.25 179.40 2k77 h ARG 135 N 0.63 -0.33 -0.73 0.00 3.08 -1.29 -1.24 114.38 114.50 2k77 h ARG 135 Ca 0.15 0.02 -0.02 0.00 0.07 0.00 0.00 59.98 60.21 2k77 h ARG 135 Cb 0.26 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.35 2k77 h ARG 135 CO -0.01 -0.22 0.40 1.96 -1.07 0.00 0.00 179.97 181.03 2k77 h GLN 136 N -0.34 1.03 -0.28 0.04 4.20 -1.22 0.17 115.11 118.71 2k77 h GLN 136 Ca 0.09 -0.12 -0.12 0.00 0.06 0.00 0.00 58.65 58.56 2k77 h GLN 136 Cb 0.47 -0.20 -0.00 0.00 0.30 0.00 0.00 27.48 28.05 2k77 h GLN 136 CO -0.28 0.77 -0.28 1.96 -0.67 0.00 0.00 178.83 180.33 2k77 h GLN 137 N 1.01 0.69 -0.36 1.46 1.08 -1.32 -2.16 115.11 115.50 2k77 h GLN 137 Ca 0.26 -0.36 -0.07 0.00 -1.45 0.00 0.00 58.65 57.03 2k77 h GLN 137 Cb 0.04 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.47 2k77 h GLN 137 CO -0.04 0.97 -0.04 0.28 -0.95 0.00 0.00 178.83 179.06 2k77 h VAL 138 N 0.42 1.27 -0.03 -0.54 2.07 -1.05 -0.47 116.25 117.92 2k77 h VAL 138 Ca 0.05 -1.06 -0.08 0.00 0.82 0.00 0.00 66.70 66.43 2k77 h VAL 138 Cb 0.85 1.22 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 2k77 h VAL 138 CO 0.07 0.35 -0.34 -0.07 0.02 0.00 0.00 177.57 177.60 2k77 h LEU 139 N 0.47 0.06 -0.01 2.57 3.38 -1.01 -1.53 115.31 119.24 2k77 h LEU 139 Ca 0.10 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 139 Cb 0.52 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 139 CO 0.03 0.40 -0.09 1.56 0.09 0.00 0.00 178.44 180.43 2k77 h GLN 140 N 0.05 0.08 0.00 1.13 4.20 -1.30 -3.38 115.11 115.89 2k77 h GLN 140 Ca 0.00 -0.07 -0.01 0.00 0.06 0.00 0.00 58.65 58.64 2k77 h GLN 140 Cb 0.64 0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.43 2k77 h GLN 140 CO 0.05 0.76 -0.03 1.25 -0.67 0.00 0.00 178.83 180.19 2k77 h LEU 141 N -0.58 0.00 0.00 1.46 5.85 -0.86 -0.34 115.31 120.85 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 0.78 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.81 2k77 h LEU 141 CO 0.02 0.03 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 2k77 n LEU 142 N -3.12 0.00 0.00 2.25 -0.00 -0.59 -4.70 117.00 110.84 2k77 n LEU 142 Ca 0.02 0.39 0.00 0.00 -0.00 0.00 0.00 56.01 56.42 2k77 n LEU 142 Cb 0.40 -0.39 0.00 0.00 -0.00 0.00 0.00 43.42 43.43 2k77 n LEU 142 CO 0.30 -0.21 0.00 0.61 -0.00 0.00 0.00 177.39 178.09 2k77 n GLY 143 N -0.10 0.00 0.18 1.47 0.00 -1.19 -5.03 105.19 100.52 2k77 n GLY 143 Ca 0.05 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.16 2k77 n GLY 143 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2k77 h SER 144 N 0.00 0.00 -0.01 1.61 0.02 -1.50 -3.52 113.55 110.14 2k77 h SER 144 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2k77 h SER 144 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2k77 h SER 144 CO 0.00 0.17 0.00 -3.20 -1.14 0.00 0.00 176.83 172.66