#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 0.69 -0.19 3.17 0.00 -1.26 -5.10 119.30 116.61 2k77 s MET 2 Ca 0.00 -0.87 -0.20 0.00 0.00 0.00 0.00 55.69 54.62 2k77 s MET 2 Cb 0.00 0.27 -0.17 0.00 0.00 0.00 0.00 34.83 34.93 2k77 s MET 2 CO 0.00 -0.19 0.21 0.27 0.00 0.00 0.00 175.02 175.31 2k77 h PHE 3 N 3.27 0.00 0.00 3.16 -5.15 -1.98 -3.49 116.94 112.76 2k77 h PHE 3 Ca -0.33 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.44 2k77 h PHE 3 Cb 1.18 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.35 2k77 h PHE 3 CO 0.50 1.20 0.00 0.41 -2.00 0.00 0.00 178.31 178.42 2k77 n GLY 4 N 1.48 0.31 3.84 6.09 0.00 -1.26 -5.01 105.19 110.65 2k77 n GLY 4 Ca -0.26 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.42 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -0.89 4.01 0.10 1.61 3.00 -1.26 -5.00 118.95 120.52 2k77 s ARG 5 Ca 0.00 0.58 0.09 0.00 0.00 0.00 0.00 55.73 56.40 2k77 s ARG 5 Cb 0.00 -2.73 -0.03 0.00 0.00 0.00 0.00 34.95 32.18 2k77 s ARG 5 CO 0.00 0.34 -0.23 -0.06 0.00 0.00 0.00 175.30 175.35 2k77 s PHE 6 N -1.69 1.99 0.92 -0.53 0.40 -1.26 -0.60 117.98 117.21 2k77 s PHE 6 Ca 0.45 -0.40 -0.11 0.00 -0.60 0.00 0.00 56.93 56.28 2k77 s PHE 6 Cb -0.13 -1.11 0.15 0.00 0.51 0.00 0.00 43.02 42.43 2k77 s PHE 6 CO 0.20 0.22 1.11 0.95 0.70 0.00 0.00 175.22 178.39 2k77 s THR 7 N -1.04 2.41 0.41 0.64 -4.23 -0.27 -4.72 115.64 108.85 2k77 s THR 7 Ca 0.09 0.13 0.08 0.00 -1.18 0.00 0.00 61.69 60.82 2k77 s THR 7 Cb -0.10 -2.32 0.24 0.00 1.34 0.00 0.00 72.50 71.66 2k77 s THR 7 CO 0.04 -0.17 2.04 -0.33 -0.54 0.00 0.00 174.62 175.65 2k77 h GLU 8 N -1.79 0.43 -0.56 3.99 3.07 -1.98 0.11 114.58 117.86 2k77 h GLU 8 Ca -0.47 -0.04 -0.10 0.00 -0.50 0.00 0.00 59.36 58.25 2k77 h GLU 8 Cb 1.27 -0.09 -0.02 0.00 -0.84 0.00 0.00 28.75 29.07 2k77 h GLU 8 CO 0.47 0.33 -0.05 0.00 -1.40 0.00 0.00 179.01 178.36 2k77 h ARG 9 N 0.44 1.02 -0.27 2.33 2.47 -1.97 -1.45 114.38 116.95 2k77 h ARG 9 Ca 0.11 -0.35 -0.16 0.00 -1.26 0.00 0.00 59.98 58.32 2k77 h ARG 9 Cb 0.04 -0.08 0.00 0.00 -1.65 0.00 0.00 29.97 28.28 2k77 h ARG 9 CO -0.02 1.03 -0.47 0.00 0.56 0.00 0.00 179.97 181.08 2k77 h ALA 10 N 0.95 0.42 -0.89 0.04 0.00 -1.68 -2.23 119.26 115.87 2k77 h ALA 10 Ca 0.15 -0.48 0.07 0.00 0.00 0.00 0.00 54.91 54.65 2k77 h ALA 10 Cb 0.60 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 2k77 h ALA 10 CO 0.04 0.57 0.55 1.96 0.00 0.00 0.00 179.25 182.37 2k77 h GLN 11 N 0.54 0.94 -0.61 0.00 4.20 -0.82 -1.95 115.11 117.41 2k77 h GLN 11 Ca 0.02 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2k77 h GLN 11 Cb 1.07 -0.21 -0.03 0.00 0.30 0.00 0.00 27.48 28.61 2k77 h GLN 11 CO 0.11 0.62 0.33 0.87 -0.67 0.00 0.00 178.83 180.09 2k77 h LYS 12 N 0.97 0.85 -0.57 1.46 1.57 -1.03 0.18 116.57 120.00 2k77 h LYS 12 Ca 0.40 -0.10 -0.06 0.00 -1.87 0.00 0.00 60.65 59.02 2k77 h LYS 12 Cb 0.24 -0.17 -0.03 0.00 0.08 0.00 0.00 32.23 32.35 2k77 h LYS 12 CO -0.20 0.65 0.13 -0.39 -0.57 0.00 0.00 179.45 179.07 2k77 h VAL 13 N 0.83 1.24 -0.01 0.50 -1.51 -0.81 -0.15 116.25 116.33 2k77 h VAL 13 Ca 0.21 -0.87 -0.20 0.00 -1.23 0.00 0.00 66.70 64.61 2k77 h VAL 13 Cb 0.04 0.66 -0.01 0.00 -2.13 0.00 0.00 31.29 29.85 2k77 h VAL 13 CO -0.03 0.32 -0.88 -0.07 -1.23 0.00 0.00 177.57 175.68 2k77 h LEU 14 N 0.86 0.38 -0.53 4.19 3.38 -1.18 0.34 115.31 122.75 2k77 h LEU 14 Ca 0.18 -0.30 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 2k77 h LEU 14 Cb 0.32 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2k77 h LEU 14 CO 0.00 1.09 -0.03 0.00 0.09 0.00 0.00 178.44 179.59 2k77 h ALA 15 N 0.89 0.71 -0.16 1.53 0.00 -0.82 -3.02 119.26 118.39 2k77 h ALA 15 Ca -0.05 -0.31 -0.11 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 15 Cb 1.50 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.09 2k77 h ALA 15 CO 0.14 0.55 -0.38 -0.07 0.00 0.00 0.00 179.25 179.50 2k77 h LEU 16 N 0.82 0.37 -1.44 0.00 3.38 -0.97 -3.00 115.31 114.47 2k77 h LEU 16 Ca 0.15 -0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 16 Cb 0.57 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 16 CO 0.03 0.72 0.41 0.00 0.09 0.00 0.00 178.44 179.69 2k77 h ALA 17 N 1.30 1.68 -0.39 1.53 0.00 -0.80 0.16 119.26 122.74 2k77 h ALA 17 Ca 0.03 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 17 Cb 0.80 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 17 CO 0.06 0.25 0.05 0.37 0.00 0.00 0.00 179.25 179.99 2k77 h GLN 18 N 0.72 0.65 -0.55 0.00 4.15 -1.42 -1.38 115.11 117.28 2k77 h GLN 18 Ca 0.25 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 2k77 h GLN 18 Cb 0.10 -0.07 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2k77 h GLN 18 CO -0.07 0.71 -0.07 0.93 -1.93 0.00 0.00 178.83 178.40 2k77 h GLU 19 N 0.49 1.02 -0.62 1.69 5.08 -1.20 -1.56 114.58 119.47 2k77 h GLU 19 Ca 0.12 -0.36 -0.08 0.00 -1.00 0.00 0.00 59.36 58.03 2k77 h GLU 19 Cb 0.38 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.54 2k77 h GLU 19 CO 0.01 1.05 0.06 0.93 -1.00 0.00 0.00 179.01 180.05 2k77 h GLU 20 N 0.90 1.05 0.09 2.33 4.39 -0.72 0.16 114.58 122.79 2k77 h GLU 20 Ca 0.15 -0.30 0.01 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 20 Cb 0.63 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.15 2k77 h GLU 20 CO 0.04 0.99 -0.14 0.00 -1.16 0.00 0.00 179.01 178.74 2k77 h ALA 21 N 1.07 -0.24 -0.23 3.43 0.00 -1.17 -1.39 119.26 120.74 2k77 h ALA 21 Ca 0.19 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 2k77 h ALA 21 Cb 0.48 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 21 CO 0.02 -0.66 -0.19 -0.07 0.00 0.00 0.00 179.25 178.35 2k77 h LEU 22 N -0.28 0.39 -0.87 0.00 3.38 -1.00 0.11 115.31 117.04 2k77 h LEU 22 Ca 0.02 -0.11 -0.12 0.00 0.09 0.00 0.00 57.88 57.76 2k77 h LEU 22 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 2k77 h LEU 22 CO -0.08 0.60 -0.43 0.03 0.09 0.00 0.00 178.44 178.65 2k77 h ARG 23 N 0.37 0.29 -0.02 1.13 3.08 -0.59 -2.72 114.38 115.92 2k77 h ARG 23 Ca 0.06 -0.15 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2k77 h ARG 23 Cb 0.54 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.59 2k77 h ARG 23 CO 0.04 0.67 0.00 1.28 -1.07 0.00 0.00 179.97 180.89 2k77 n LEU 24 N -4.01 0.73 -0.82 3.04 4.77 -0.53 -4.94 117.00 115.23 2k77 n LEU 24 Ca -0.02 -0.26 -0.08 0.00 -0.03 0.00 0.00 56.01 55.63 2k77 n LEU 24 Cb 0.50 -0.01 -0.01 0.00 -2.33 0.00 0.00 43.42 41.57 2k77 n LEU 24 CO 0.43 0.13 -0.09 0.61 -1.33 0.00 0.00 177.39 177.13 2k77 n GLY 25 N 1.06 0.28 3.88 -0.72 0.00 -0.78 -4.15 105.19 104.76 2k77 n GLY 25 Ca 0.20 -0.59 -0.37 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.37 3.60 -1.95 1.61 3.76 0.32 -1.88 115.29 118.39 2k77 s HIS 26 Ca 0.00 0.53 0.14 0.00 -0.15 0.00 0.00 55.06 55.58 2k77 s HIS 26 Cb 0.00 -1.94 0.41 0.00 1.11 0.00 0.00 32.58 32.15 2k77 s HIS 26 CO 0.00 0.73 1.33 0.27 -0.85 0.00 0.00 174.74 176.23 2k77 n ASN 27 N 2.00 2.50 -3.88 1.40 6.94 -0.74 -3.28 115.26 120.19 2k77 n ASN 27 Ca -0.20 -2.02 -0.11 0.00 -0.02 0.00 0.00 54.58 52.23 2k77 n ASN 27 Cb 0.55 -0.32 -0.10 0.00 -2.36 0.00 0.00 39.78 37.55 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 -0.98 0.05 -0.30 0.53 2.20 -1.26 -3.43 114.94 111.75 2k77 s ASN 28 Ca 0.31 -0.26 -0.18 0.00 -0.94 0.00 0.00 52.86 51.79 2k77 s ASN 28 Cb 0.16 0.20 -0.02 0.00 -2.00 0.00 0.00 41.25 39.60 2k77 s ASN 28 CO 0.20 -0.39 0.50 -0.63 -2.94 0.00 0.00 177.10 173.85 2k77 s ILE 29 N -1.54 5.05 0.50 0.54 1.01 0.18 -4.82 121.20 122.12 2k77 s ILE 29 Ca -0.14 0.60 0.07 0.00 0.00 0.00 0.00 60.65 61.17 2k77 s ILE 29 Cb -0.07 -3.88 0.04 0.00 0.01 0.00 0.00 42.46 38.56 2k77 s ILE 29 CO 0.01 -0.05 0.68 -0.83 0.00 0.00 0.00 174.94 174.75 2k77 s GLY 30 N 1.66 1.87 0.33 6.18 0.00 -1.26 -1.24 107.32 114.85 2k77 s GLY 30 Ca 0.19 -1.72 0.07 0.00 0.00 0.00 0.00 44.72 43.26 2k77 s GLY 30 CO 0.11 -1.44 1.83 -0.91 0.00 0.00 0.00 173.10 172.70 2k77 h THR 31 N 0.36 0.80 -0.66 0.90 1.35 -1.92 -0.82 112.91 112.92 2k77 h THR 31 Ca -0.38 -0.26 0.13 0.00 -0.55 0.00 0.00 66.41 65.35 2k77 h THR 31 Cb 1.28 -0.03 -0.10 0.00 -1.73 0.00 0.00 68.15 67.57 2k77 h THR 31 CO 0.45 0.14 0.15 1.05 -0.25 0.00 0.00 175.52 177.06 2k77 h GLU 32 N 0.77 0.26 0.02 4.72 9.09 -1.95 0.58 114.58 128.06 2k77 h GLU 32 Ca 0.50 -0.02 -0.20 0.00 0.05 0.00 0.00 59.36 59.70 2k77 h GLU 32 Cb 0.76 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.78 2k77 h GLU 32 CO -0.27 0.17 -0.95 0.45 0.05 0.00 0.00 179.01 178.46 2k77 h HIS 33 N 0.27 0.12 -0.45 2.06 3.86 -1.54 -0.39 115.15 119.08 2k77 h HIS 33 Ca 0.36 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.44 2k77 h HIS 33 Cb 0.57 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.01 2k77 h HIS 33 CO -0.26 0.97 0.07 0.82 0.86 0.00 0.00 177.93 180.40 2k77 h ILE 34 N 0.03 1.25 -0.26 2.45 2.04 -0.96 0.13 117.51 122.18 2k77 h ILE 34 Ca -0.03 -0.90 -0.05 0.00 1.00 0.00 0.00 64.86 64.89 2k77 h ILE 34 Cb 1.64 0.96 -0.01 0.00 -0.74 0.00 0.00 36.82 38.67 2k77 h ILE 34 CO 0.13 0.31 -0.02 0.25 0.00 0.00 0.00 178.15 178.83 2k77 h LEU 35 N 0.60 0.47 -1.05 1.44 5.85 -0.83 -0.55 115.31 121.24 2k77 h LEU 35 Ca 0.14 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.45 2k77 h LEU 35 Cb 0.38 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 2k77 h LEU 35 CO 0.01 0.68 -0.23 0.25 -0.34 0.00 0.00 178.44 178.81 2k77 h LEU 36 N 0.25 0.40 -0.76 2.25 5.85 -1.05 -2.14 115.31 120.12 2k77 h LEU 36 Ca 0.07 -0.12 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2k77 h LEU 36 Cb 0.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 2k77 h LEU 36 CO 0.02 0.64 0.03 1.23 -0.34 0.00 0.00 178.44 180.01 2k77 h GLY 37 N 0.99 1.05 0.65 3.75 0.00 -0.65 -0.90 103.07 107.96 2k77 h GLY 37 Ca 0.06 -0.73 0.03 0.00 0.00 0.00 0.00 47.33 46.70 2k77 h GLY 37 CO 0.04 0.67 -0.05 1.41 0.00 0.00 0.00 176.54 178.62 2k77 h LEU 38 N 0.91 -0.18 -0.62 3.11 3.38 -0.54 -0.66 115.31 120.70 2k77 h LEU 38 Ca 0.17 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.12 2k77 h LEU 38 Cb 0.49 0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.34 2k77 h LEU 38 CO 0.02 -0.07 -0.37 -0.37 0.09 0.00 0.00 178.44 177.75 2k77 h VAL 39 N -0.01 0.76 -0.11 1.22 -1.51 -1.35 -0.83 116.25 114.42 2k77 h VAL 39 Ca 0.08 -1.65 -0.09 0.00 -1.23 0.00 0.00 66.70 63.81 2k77 h VAL 39 Cb 0.14 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2k77 h VAL 39 CO -0.18 0.36 -0.35 -0.09 -1.23 0.00 0.00 177.57 176.09 2k77 h ARG 40 N 0.00 0.22 0.05 5.19 9.65 -0.92 -3.10 114.38 125.47 2k77 h ARG 40 Ca -0.00 -0.09 -0.00 0.00 -1.10 0.00 0.00 59.98 58.78 2k77 h ARG 40 Cb 1.04 -0.01 0.00 0.00 -1.39 0.00 0.00 29.97 29.61 2k77 h ARG 40 CO 0.05 0.54 -0.03 1.49 2.80 0.00 0.00 179.97 184.83 2k77 h GLU 41 N 0.19 -0.07 0.00 0.20 4.22 -0.91 -3.48 114.58 114.73 2k77 h GLU 41 Ca 0.02 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.47 2k77 h GLU 41 Cb 0.71 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k77 h GLU 41 CO 0.05 0.45 0.00 0.41 -2.18 0.00 0.00 179.01 177.75 2k77 n GLY 42 N 0.43 1.87 0.01 1.92 0.00 -0.33 -4.72 105.19 104.36 2k77 n GLY 42 Ca -0.09 0.00 0.02 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 -1.94 0.65 -0.71 1.61 1.02 -1.26 -4.45 120.64 115.56 2k77 n GLU 43 Ca 0.00 -0.04 -0.31 0.00 -0.02 0.00 0.00 57.16 56.78 2k77 n GLU 43 Cb 0.00 -1.13 0.16 0.00 -0.02 0.00 0.00 31.44 30.45 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 2.27 -0.56 0.31 0.62 0.00 -1.26 -4.69 105.19 101.87 2k77 n GLY 44 Ca -0.02 -0.71 0.02 0.00 0.00 0.00 0.00 46.02 45.31 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 -1.81 0.95 -0.45 -0.61 1.08 -1.95 -0.31 117.51 114.42 2k77 h ILE 45 Ca -0.43 -0.29 -0.06 0.00 -0.39 0.00 0.00 64.86 63.69 2k77 h ILE 45 Cb 1.27 0.04 -0.02 0.00 -3.07 0.00 0.00 36.82 35.05 2k77 h ILE 45 CO 0.40 0.15 0.06 0.00 -0.69 0.00 0.00 178.15 178.07 2k77 h ALA 46 N 1.43 0.59 -0.49 1.87 0.00 -1.90 0.60 119.26 121.36 2k77 h ALA 46 Ca 0.38 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.98 2k77 h ALA 46 Cb 0.29 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 2k77 h ALA 46 CO -0.22 0.33 0.02 0.00 0.00 0.00 0.00 179.25 179.38 2k77 h ALA 47 N 0.94 1.10 -0.17 0.00 0.00 -1.66 -0.06 119.26 119.40 2k77 h ALA 47 Ca 0.13 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 47 Cb 0.41 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k77 h ALA 47 CO 0.01 0.58 -0.39 -0.22 0.00 0.00 0.00 179.25 179.22 2k77 h LYS 48 N 0.76 0.38 -0.45 0.00 1.63 -0.95 -1.85 116.57 116.09 2k77 h LYS 48 Ca 0.15 -0.18 -0.13 0.00 -0.85 0.00 0.00 60.65 59.64 2k77 h LYS 48 Cb 0.44 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.06 2k77 h LYS 48 CO 0.02 0.72 -0.22 0.00 -3.45 0.00 0.00 179.45 176.52 2k77 h ALA 49 N 1.27 0.63 -0.17 5.00 0.00 -0.41 0.84 119.26 126.42 2k77 h ALA 49 Ca 0.03 -0.39 0.02 0.00 0.00 0.00 0.00 54.91 54.57 2k77 h ALA 49 Cb 0.84 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2k77 h ALA 49 CO 0.07 0.62 0.06 -0.07 0.00 0.00 0.00 179.25 179.93 2k77 h LEU 50 N 0.78 0.08 -1.18 0.00 3.38 -0.93 -1.51 115.31 115.93 2k77 h LEU 50 Ca 0.10 0.02 -0.06 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 50 Cb 0.79 0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.53 2k77 h LEU 50 CO 0.07 0.07 -0.07 1.56 0.09 0.00 0.00 178.44 180.16 2k77 h GLN 51 N 0.15 0.49 -0.23 1.13 4.20 -1.25 -2.03 115.11 117.56 2k77 h GLN 51 Ca 0.07 -0.12 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2k77 h GLN 51 Cb 0.04 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.74 2k77 h GLN 51 CO -0.07 0.57 -0.16 0.00 -0.67 0.00 0.00 178.83 178.49 2k77 h ALA 52 N 1.48 1.29 0.00 3.87 0.00 -0.54 -1.88 119.26 123.47 2k77 h ALA 52 Ca 0.09 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 52 Cb 0.41 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.08 2k77 h ALA 52 CO 0.02 0.47 0.00 1.28 0.00 0.00 0.00 179.25 181.02 2k77 n LEU 53 N -4.20 0.00 0.00 0.00 4.77 -0.59 -4.87 117.00 112.11 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 0.33 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 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 0.29 0.72 1.80 -0.72 0.00 -0.70 -4.99 105.19 101.59 2k77 n GLY 54 Ca 0.02 0.00 -0.13 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 -3.63 0.99 4.77 -0.80 -4.99 117.00 113.35 2k77 n LEU 55 Ca 0.00 -0.74 -0.02 0.00 -0.03 0.00 0.00 56.01 55.22 2k77 n LEU 55 Cb 0.00 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 40.64 2k77 n LEU 55 CO 0.00 -0.90 0.95 -0.83 -1.33 0.00 0.00 177.39 175.28 2k77 s GLY 56 N -4.22 -0.36 0.19 -0.72 0.00 -1.26 -4.31 107.32 96.65 2k77 s GLY 56 Ca 0.34 0.87 -0.12 0.00 0.00 0.00 0.00 44.72 45.82 2k77 s GLY 56 CO 0.24 0.23 1.83 1.48 0.00 0.00 0.00 173.10 176.88 2k77 h SER 57 N 2.00 0.79 -0.50 1.64 4.64 -1.98 -1.66 113.55 118.48 2k77 h SER 57 Ca -0.23 -0.06 -0.12 0.00 -0.47 0.00 0.00 61.79 60.92 2k77 h SER 57 Cb 1.20 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 2k77 h SER 57 CO 0.27 0.62 -0.14 1.05 -0.87 0.00 0.00 176.83 177.75 2k77 h GLU 58 N 0.89 0.99 -0.36 4.77 9.09 -1.97 -0.18 114.58 127.80 2k77 h GLU 58 Ca 0.24 -0.38 -0.02 0.00 0.05 0.00 0.00 59.36 59.25 2k77 h GLU 58 Cb -0.03 -0.06 -0.02 0.00 -1.65 0.00 0.00 28.75 27.00 2k77 h GLU 58 CO -0.04 1.05 0.17 0.87 0.05 0.00 0.00 179.01 181.11 2k77 h LYS 59 N 0.87 0.53 -0.18 1.06 1.57 -1.90 -1.08 116.57 117.45 2k77 h LYS 59 Ca 0.13 -0.08 -0.12 0.00 -1.87 0.00 0.00 60.65 58.71 2k77 h LYS 59 Cb 0.70 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.92 2k77 h LYS 59 CO 0.05 0.48 -0.34 0.82 -0.57 0.00 0.00 179.45 179.90 2k77 h ILE 60 N 0.45 1.34 -0.93 1.86 2.04 -1.29 -3.13 117.51 117.84 2k77 h ILE 60 Ca 0.12 -1.58 0.02 0.00 1.00 0.00 0.00 64.86 64.42 2k77 h ILE 60 Cb 0.13 1.92 -0.05 0.00 -0.74 0.00 0.00 36.82 38.08 2k77 h ILE 60 CO -0.01 0.48 0.62 -0.61 0.00 0.00 0.00 178.15 178.62 2k77 h GLN 61 N 0.19 1.20 -0.02 2.37 4.15 -0.96 -0.27 115.11 121.78 2k77 h GLN 61 Ca 0.01 -0.07 0.03 0.00 0.77 0.00 0.00 58.65 59.39 2k77 h GLN 61 Cb 0.94 -0.27 -0.04 0.00 0.21 0.00 0.00 27.48 28.31 2k77 h GLN 61 CO 0.08 0.79 -0.20 -0.22 -1.93 0.00 0.00 178.83 177.35 2k77 h LYS 62 N 1.24 -0.30 -0.02 1.69 3.64 -1.22 -0.57 116.57 121.02 2k77 h LYS 62 Ca 0.35 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.60 2k77 h LYS 62 Cb -0.10 0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.77 2k77 h LYS 62 CO -0.09 -0.20 -0.68 0.93 -2.27 0.00 0.00 179.45 177.14 2k77 h GLU 63 N -0.31 0.10 0.66 1.90 4.39 -1.39 -1.11 114.58 118.82 2k77 h GLU 63 Ca 0.06 -0.08 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 2k77 h GLU 63 Cb 0.40 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.07 2k77 h GLU 63 CO -0.20 0.74 -0.32 0.28 -1.16 0.00 0.00 179.01 178.36 2k77 h VAL 64 N 0.07 0.24 0.00 3.13 2.07 -0.99 -3.12 116.25 117.65 2k77 h VAL 64 Ca -0.01 -0.24 -0.04 0.00 0.82 0.00 0.00 66.70 67.23 2k77 h VAL 64 Cb 1.21 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2k77 h VAL 64 CO 0.10 0.02 -0.18 -0.33 0.02 0.00 0.00 177.57 177.20 2k77 h GLU 65 N -1.07 0.00 0.00 1.57 5.08 -1.07 -0.48 114.58 118.61 2k77 h GLU 65 Ca -0.09 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.25 2k77 h GLU 65 Cb 0.72 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k77 h GLU 65 CO 0.15 0.18 -0.09 1.03 -1.00 0.00 0.00 179.01 179.28 2k77 h SER 66 N 0.00 0.00 0.01 1.42 0.87 -1.25 -1.46 113.55 113.14 2k77 h SER 66 Ca -0.00 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2k77 h SER 66 Cb 0.33 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.22 2k77 h SER 66 CO 0.02 0.09 -2.39 0.18 -0.53 0.00 0.00 176.83 174.20 2k77 n LEU 67 N -4.18 0.51 -0.08 2.23 4.77 -0.43 -4.69 117.00 115.13 2k77 n LEU 67 Ca -0.03 -0.02 0.01 0.00 -0.03 0.00 0.00 56.01 55.95 2k77 n LEU 67 Cb 0.17 0.26 0.03 0.00 -2.33 0.00 0.00 43.42 41.55 2k77 n LEU 67 CO 0.33 0.57 0.52 2.30 -1.33 0.00 0.00 177.39 179.78 2k77 n ILE 68 N -2.84 1.06 0.45 -0.08 -5.35 -0.32 -4.87 119.36 107.41 2k77 n ILE 68 Ca -0.35 -1.08 0.00 0.00 -0.27 0.00 0.00 62.75 61.05 2k77 n ILE 68 Cb 1.13 0.45 0.00 0.00 -1.74 0.00 0.00 39.64 39.48 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 -0.45 -0.04 0.12 3.28 0.00 -0.55 -3.65 105.19 103.90 2k77 n GLY 69 Ca 0.02 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2k77 n GLY 69 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2k77 h ARG 70 N 0.25 0.33 -3.80 1.61 9.65 -1.89 -3.51 114.38 117.02 2k77 h ARG 70 Ca 0.00 -0.57 0.00 0.00 -1.10 0.00 0.00 59.98 58.31 2k77 h ARG 70 Cb 0.05 0.21 -0.05 0.00 -1.39 0.00 0.00 29.97 28.79 2k77 h ARG 70 CO 0.00 1.26 -0.72 0.41 2.80 0.00 0.00 179.97 183.72 2k77 n GLY 71 N 1.61 -4.26 3.15 2.80 0.00 -1.24 -4.88 105.19 102.37 2k77 n GLY 71 Ca -0.12 0.40 -0.41 0.00 0.00 0.00 0.00 46.02 45.89 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 0.91 2.72 -2.04 1.61 3.00 -0.86 -4.81 117.38 117.91 2k77 n GLN 72 Ca -0.14 -2.75 -0.42 0.00 -0.01 0.00 0.00 57.00 53.67 2k77 n GLN 72 Cb 0.22 -3.36 0.00 0.00 0.00 0.00 0.00 30.24 27.10 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 7.23 3.04 -2.55 -1.09 2.13 -0.79 -1.80 120.64 126.81 2k77 n GLU 73 Ca 0.50 -2.91 -0.15 0.00 0.66 0.00 0.00 57.16 55.25 2k77 n GLU 73 Cb 0.42 -3.28 0.02 0.00 0.27 0.00 0.00 31.44 28.87 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 6.34 2.25 -0.74 5.31 2.81 -1.26 -5.04 117.12 126.79 2k77 n MET 74 Ca 0.49 -3.80 -0.36 0.00 -1.81 0.00 0.00 57.70 52.22 2k77 n MET 74 Cb 0.40 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 31.10 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 -0.35 1.96 -3.79 7.83 7.64 -1.26 -4.73 113.62 120.91 2k77 n SER 75 Ca 0.22 -2.49 -0.23 0.00 1.01 0.00 0.00 58.87 57.38 2k77 n SER 75 Cb 0.78 -0.82 -0.17 0.00 -1.01 0.00 0.00 64.21 62.99 2k77 n SER 75 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 2k77 s GLN 76 N 5.53 0.69 -0.10 1.43 -1.52 -1.26 -5.04 119.66 119.39 2k77 s GLN 76 Ca 0.53 0.06 -0.07 0.00 -1.95 0.00 0.00 55.36 53.93 2k77 s GLN 76 Cb 0.12 -0.99 0.03 0.00 -0.22 0.00 0.00 33.01 31.95 2k77 s GLN 76 CO 0.17 -0.27 0.14 2.41 -0.25 0.00 0.00 175.29 177.49 2k77 n THR 77 N 5.00 -9.98 -1.77 -0.19 -1.04 -1.26 -4.95 114.28 100.09 2k77 n THR 77 Ca -0.10 2.18 -0.38 0.00 -2.04 0.00 0.00 64.05 63.70 2k77 n THR 77 Cb 0.50 -5.38 0.04 0.00 -1.82 0.00 0.00 70.33 63.67 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 -0.48 2.04 0.15 12.58 1.09 -1.26 -4.93 121.20 130.39 2k77 s ILE 78 Ca -0.16 0.03 0.01 0.00 -1.10 0.00 0.00 60.65 59.42 2k77 s ILE 78 Cb 0.01 -3.02 -0.04 0.00 -1.06 0.00 0.00 42.46 38.35 2k77 s ILE 78 CO 0.44 -0.00 0.01 -2.28 -0.10 0.00 0.00 174.94 173.02 2k77 s HIS 79 N -1.29 1.04 -0.13 3.97 5.65 -1.22 -5.01 115.29 118.30 2k77 s HIS 79 Ca 0.71 -1.08 -0.10 0.00 0.25 0.00 0.00 55.06 54.84 2k77 s HIS 79 Cb -0.41 -0.59 -0.05 0.00 -1.18 0.00 0.00 32.58 30.35 2k77 s HIS 79 CO 0.49 -0.32 0.21 0.71 -0.65 0.00 0.00 174.74 175.18 2k77 s TYR 80 N -3.79 3.55 0.84 3.88 1.51 -1.26 -0.65 117.35 121.43 2k77 s TYR 80 Ca 0.22 0.57 -0.11 0.00 -1.01 0.00 0.00 57.07 56.74 2k77 s TYR 80 Cb 0.07 -2.12 0.10 0.00 -0.11 0.00 0.00 41.96 39.89 2k77 s TYR 80 CO 0.02 0.52 1.14 0.95 -1.11 0.00 0.00 175.55 177.07 2k77 s THR 81 N -0.43 2.46 0.45 -0.71 -4.23 -0.37 -4.73 115.64 108.08 2k77 s THR 81 Ca 0.15 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 60.99 2k77 s THR 81 Cb -0.13 -2.42 0.35 0.00 1.34 0.00 0.00 72.50 71.64 2k77 s THR 81 CO 0.04 -0.18 1.97 -0.65 -0.54 0.00 0.00 174.62 175.26 2k77 h PRO 82 N -1.34 0.32 -0.30 3.99 0.11 -1.99 0.87 132.00 133.66 2k77 h PRO 82 Ca -0.44 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 65.56 2k77 h PRO 82 Cb 1.26 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 2k77 h PRO 82 CO 0.46 0.21 -0.15 0.00 -0.21 0.00 0.00 178.00 178.31 2k77 h ARG 83 N 0.33 0.63 -0.41 1.05 -0.00 -1.94 -1.24 114.38 112.79 2k77 h ARG 83 Ca 0.29 -0.28 -0.15 0.00 -0.50 0.00 0.00 59.98 59.35 2k77 h ARG 83 Cb 0.70 -0.02 -0.01 0.00 0.00 0.00 0.00 29.97 30.64 2k77 h ARG 83 CO -0.07 0.86 -0.32 0.00 0.00 0.00 0.00 179.97 180.43 2k77 h ALA 84 N 0.75 0.65 -0.38 0.04 0.00 -1.60 -0.45 119.26 118.27 2k77 h ALA 84 Ca 0.07 -0.43 0.03 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 84 Cb 0.67 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 84 CO 0.04 0.67 0.18 -0.22 0.00 0.00 0.00 179.25 179.93 2k77 h LYS 85 N 0.77 0.37 -0.65 0.00 3.64 -0.87 0.21 116.57 120.04 2k77 h LYS 85 Ca 0.08 -0.02 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2k77 h LYS 85 Cb 0.90 -0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.61 2k77 h LYS 85 CO 0.08 0.24 0.40 0.87 -2.27 0.00 0.00 179.45 178.78 2k77 h LYS 86 N 0.38 0.88 -0.39 1.90 1.57 -1.09 -1.67 116.57 118.15 2k77 h LYS 86 Ca 0.16 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.88 2k77 h LYS 86 Cb 0.08 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.17 2k77 h LYS 86 CO -0.12 0.62 0.23 0.28 -0.57 0.00 0.00 179.45 179.89 2k77 h VAL 87 N 0.89 1.04 -0.47 0.50 2.07 -0.68 -0.13 116.25 119.46 2k77 h VAL 87 Ca 0.24 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.60 2k77 h VAL 87 Cb -0.04 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 2k77 h VAL 87 CO -0.05 0.08 0.28 0.40 0.02 0.00 0.00 177.57 178.31 2k77 h ILE 88 N 0.46 1.15 -0.41 4.57 1.08 -0.68 0.18 117.51 123.87 2k77 h ILE 88 Ca 0.15 -0.34 -0.12 0.00 -0.39 0.00 0.00 64.86 64.17 2k77 h ILE 88 Cb 0.01 0.52 -0.01 0.00 -3.07 0.00 0.00 36.82 34.27 2k77 h ILE 88 CO -0.07 0.15 -0.21 -0.33 -0.69 0.00 0.00 178.15 177.00 2k77 h GLU 89 N 0.63 0.81 0.00 2.37 5.08 -1.21 -2.72 114.58 119.54 2k77 h GLU 89 Ca 0.17 -0.32 -0.07 0.00 -1.00 0.00 0.00 59.36 58.14 2k77 h GLU 89 Cb -0.00 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.20 2k77 h GLU 89 CO -0.03 0.95 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.53 2k77 h LEU 90 N 0.71 0.00 -0.36 1.33 3.38 -0.68 -1.71 115.31 117.98 2k77 h LEU 90 Ca 0.10 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.97 2k77 h LEU 90 Cb 0.73 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 90 CO 0.06 0.32 -0.17 0.28 0.09 0.00 0.00 178.44 179.02 2k77 h SER 91 N 0.00 0.77 0.61 -0.43 0.02 -0.33 0.92 113.55 115.11 2k77 h SER 91 Ca -0.00 -0.40 -0.15 0.00 -0.84 0.00 0.00 61.79 60.39 2k77 h SER 91 Cb 0.69 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 63.00 2k77 h SER 91 CO 0.04 1.01 -0.69 0.00 -1.14 0.00 0.00 176.83 176.05 2k77 h MET 92 N 0.54 0.07 -0.59 3.45 -0.00 -1.48 -1.69 114.93 115.22 2k77 h MET 92 Ca 0.08 -0.05 -0.10 0.00 -0.00 0.00 0.00 59.70 59.63 2k77 h MET 92 Cb 0.71 0.01 -0.02 0.00 -0.00 0.00 0.00 31.60 32.31 2k77 h MET 92 CO 0.05 0.73 -0.02 0.22 -0.00 0.00 0.00 176.91 177.89 2k77 h ASP 93 N 0.04 1.04 -0.57 -0.10 3.58 -1.14 -0.29 116.42 118.99 2k77 h ASP 93 Ca -0.01 -0.31 -0.10 0.00 0.42 0.00 0.00 57.03 57.02 2k77 h ASP 93 Cb 1.22 -0.28 -0.02 0.00 1.72 0.00 0.00 39.33 41.97 2k77 h ASP 93 CO 0.09 1.11 -0.04 -0.33 -2.88 0.00 0.00 179.24 177.19 2k77 h GLU 94 N 0.96 1.03 -0.68 0.28 4.39 -0.79 0.34 114.58 120.11 2k77 h GLU 94 Ca 0.17 -0.35 -0.00 0.00 0.34 0.00 0.00 59.36 59.51 2k77 h GLU 94 Cb 0.58 -0.08 -0.03 0.00 -0.10 0.00 0.00 28.75 29.12 2k77 h GLU 94 CO 0.03 1.04 0.42 0.00 -1.16 0.00 0.00 179.01 179.35 2k77 h ALA 95 N 0.96 0.87 -0.60 3.43 0.00 -1.22 -1.85 119.26 120.84 2k77 h ALA 95 Ca 0.16 -0.07 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 2k77 h ALA 95 Cb 0.60 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.09 2k77 h ALA 95 CO 0.04 0.33 0.15 -0.09 0.00 0.00 0.00 179.25 179.68 2k77 h ARG 96 N 0.93 0.93 -0.02 0.00 2.43 -0.80 -0.28 114.38 117.56 2k77 h ARG 96 Ca 0.25 -0.20 -0.06 0.00 -0.81 0.00 0.00 59.98 59.16 2k77 h ARG 96 Cb -0.05 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 29.35 2k77 h ARG 96 CO -0.05 0.83 -0.27 0.87 -1.51 0.00 0.00 179.97 179.84 2k77 h LYS 97 N 0.90 0.04 0.00 0.20 1.57 -0.67 -1.22 116.57 117.38 2k77 h LYS 97 Ca 0.19 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.96 2k77 h LYS 97 Cb 0.31 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.62 2k77 h LYS 97 CO -0.00 0.31 0.00 1.28 -0.57 0.00 0.00 179.45 180.47 2k77 n LEU 98 N -4.20 0.00 -0.61 2.94 7.99 -0.72 -4.92 117.00 117.48 2k77 n LEU 98 Ca -0.02 0.21 -0.08 0.00 -0.01 0.00 0.00 56.01 56.11 2k77 n LEU 98 Cb 0.33 -0.21 -0.03 0.00 -0.11 0.00 0.00 43.42 43.40 2k77 n LEU 98 CO 0.38 -0.03 -0.08 0.61 -1.51 0.00 0.00 177.39 176.77 2k77 n GLY 99 N 0.89 0.98 3.87 -0.72 0.00 -0.46 -5.03 105.19 104.72 2k77 n GLY 99 Ca 0.15 -0.53 -0.34 0.00 0.00 0.00 0.00 46.02 45.30 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 -2.23 3.55 -2.48 1.61 5.04 -0.15 -4.99 115.29 115.63 2k77 s HIS 100 Ca 0.00 0.76 0.23 0.00 -1.54 0.00 0.00 55.06 54.51 2k77 s HIS 100 Cb 0.00 -2.15 0.54 0.00 0.04 0.00 0.00 32.58 31.01 2k77 s HIS 100 CO 0.00 0.48 1.45 -1.13 -2.34 0.00 0.00 174.74 173.20 2k77 n SER 101 N 0.65 2.69 -3.53 9.88 3.41 -1.26 -4.09 113.62 121.37 2k77 n SER 101 Ca -0.06 -1.87 -0.11 0.00 -0.26 0.00 0.00 58.87 56.56 2k77 n SER 101 Cb 0.52 -0.16 -0.03 0.00 -0.26 0.00 0.00 64.21 64.28 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 -1.69 -0.38 -0.31 7.33 -0.85 -1.26 -4.71 117.35 115.48 2k77 s TYR 102 Ca 0.35 0.13 -0.23 0.00 -0.52 0.00 0.00 57.07 56.80 2k77 s TYR 102 Cb 0.20 0.41 -0.00 0.00 0.38 0.00 0.00 41.96 42.95 2k77 s TYR 102 CO 0.30 -0.77 0.77 0.08 -1.52 0.00 0.00 175.55 174.41 2k77 s VAL 103 N -3.72 4.81 0.69 -3.49 1.01 0.23 -4.88 120.40 115.05 2k77 s VAL 103 Ca 0.02 1.14 -0.06 0.00 0.00 0.00 0.00 61.98 63.07 2k77 s VAL 103 Cb 0.00 -4.13 0.06 0.00 0.00 0.00 0.00 36.38 32.31 2k77 s VAL 103 CO -0.12 -0.24 1.00 -0.83 0.00 0.00 0.00 175.10 174.91 2k77 s GLY 104 N 1.62 1.69 0.30 4.51 0.00 -1.26 -1.11 107.32 113.07 2k77 s GLY 104 Ca 0.31 -0.92 0.01 0.00 0.00 0.00 0.00 44.72 44.12 2k77 s GLY 104 CO 0.12 -0.53 1.91 -0.91 0.00 0.00 0.00 173.10 173.69 2k77 h THR 105 N -0.54 1.05 -0.43 0.90 1.35 -1.94 -1.92 112.91 111.38 2k77 h THR 105 Ca -0.44 -0.35 0.08 0.00 -0.55 0.00 0.00 66.41 65.15 2k77 h THR 105 Cb 1.31 -0.06 -0.09 0.00 -1.73 0.00 0.00 68.15 67.58 2k77 h THR 105 CO 0.60 0.19 -0.37 1.05 -0.25 0.00 0.00 175.52 176.73 2k77 h GLU 106 N 1.02 -0.26 0.00 4.72 9.09 -1.94 -2.12 114.58 125.09 2k77 h GLU 106 Ca 0.40 0.02 -0.07 0.00 0.05 0.00 0.00 59.36 59.76 2k77 h GLU 106 Cb 0.23 0.06 -0.01 0.00 -1.65 0.00 0.00 28.75 27.38 2k77 h GLU 106 CO -0.15 -0.17 -0.32 0.45 0.05 0.00 0.00 179.01 178.87 2k77 h HIS 107 N -0.27 0.00 -0.32 2.06 3.86 -1.70 -1.48 115.15 117.29 2k77 h HIS 107 Ca 0.17 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 107 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 2k77 h HIS 107 CO -0.59 0.32 0.16 0.82 0.86 0.00 0.00 177.93 179.50 2k77 h ILE 108 N 0.00 1.15 -0.41 2.45 2.04 -0.82 -0.67 117.51 121.25 2k77 h ILE 108 Ca -0.00 -0.43 -0.10 0.00 1.00 0.00 0.00 64.86 65.33 2k77 h ILE 108 Cb 0.67 0.84 -0.02 0.00 -0.74 0.00 0.00 36.82 37.58 2k77 h ILE 108 CO 0.04 0.16 -0.16 0.25 0.00 0.00 0.00 178.15 178.44 2k77 h LEU 109 N 0.39 0.77 -1.63 1.44 5.85 -0.80 -0.04 115.31 121.30 2k77 h LEU 109 Ca 0.11 -0.25 -0.00 0.00 0.84 0.00 0.00 57.88 58.58 2k77 h LEU 109 Cb 0.10 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 2k77 h LEU 109 CO -0.02 0.94 0.21 -0.07 -0.34 0.00 0.00 178.44 179.17 2k77 h LEU 110 N 0.69 0.40 -0.12 2.25 3.38 -1.18 -1.88 115.31 118.85 2k77 h LEU 110 Ca 0.11 -0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 110 Cb 0.66 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.30 2k77 h LEU 110 CO 0.05 0.31 -0.02 1.23 0.09 0.00 0.00 178.44 180.09 2k77 h GLY 111 N 0.50 0.25 0.77 0.83 0.00 -0.34 -2.52 103.07 102.56 2k77 h GLY 111 Ca 0.13 -0.20 0.04 0.00 0.00 0.00 0.00 47.33 47.30 2k77 h GLY 111 CO -0.02 0.18 0.36 1.41 0.00 0.00 0.00 176.54 178.47 2k77 h LEU 112 N -0.07 0.56 -0.22 3.11 3.38 -0.59 -1.81 115.31 119.67 2k77 h LEU 112 Ca 0.03 0.02 -0.17 0.00 0.09 0.00 0.00 57.88 57.85 2k77 h LEU 112 Cb 0.42 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.07 2k77 h LEU 112 CO 0.01 0.38 -0.54 0.16 0.09 0.00 0.00 178.44 178.54 2k77 h ILE 113 N 0.69 1.30 0.00 1.22 3.07 -1.45 -3.33 117.51 119.02 2k77 h ILE 113 Ca 0.27 -1.75 -0.06 0.00 1.55 0.00 0.00 64.86 64.86 2k77 h ILE 113 Cb 0.10 1.83 -0.01 0.00 -0.27 0.00 0.00 36.82 38.48 2k77 h ILE 113 CO -0.14 0.56 -0.31 -0.09 -1.05 0.00 0.00 178.15 177.12 2k77 h ARG 114 N 0.47 0.00 -0.05 0.16 9.65 -1.17 -3.27 114.38 120.17 2k77 h ARG 114 Ca -0.01 0.00 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 2k77 h ARG 114 Cb 1.16 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.74 2k77 h ARG 114 CO 0.12 0.31 -0.10 1.49 2.80 0.00 0.00 179.97 184.58 2k77 h GLU 115 N 0.00 0.16 0.00 0.20 4.22 -1.44 -3.48 114.58 114.24 2k77 h GLU 115 Ca -0.00 -0.10 0.00 0.00 0.08 0.00 0.00 59.36 59.33 2k77 h GLU 115 Cb 0.65 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k77 h GLU 115 CO 0.04 0.69 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 2k77 n GLY 116 N 0.45 0.90 0.11 1.92 0.00 -1.24 -4.76 105.19 102.57 2k77 n GLY 116 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.82 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 0.68 -0.59 1.61 2.13 -1.26 -4.93 120.64 116.27 2k77 n GLU 117 Ca 0.00 0.06 -0.28 0.00 0.66 0.00 0.00 57.16 57.59 2k77 n GLU 117 Cb 0.00 -1.54 0.25 0.00 0.27 0.00 0.00 31.44 30.42 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 118 N -5.78 1.55 0.24 8.31 0.00 -1.26 -4.97 107.32 105.41 2k77 s GLY 118 Ca -0.17 -0.14 0.02 0.00 0.00 0.00 0.00 44.72 44.43 2k77 s GLY 118 CO 0.76 0.57 1.61 -2.08 0.00 0.00 0.00 173.10 173.96 2k77 h VAL 119 N -2.58 1.32 -0.60 1.40 2.07 -1.95 -3.32 116.25 112.59 2k77 h VAL 119 Ca -0.61 -1.67 0.06 0.00 0.82 0.00 0.00 66.70 65.30 2k77 h VAL 119 Cb 1.33 1.71 -0.05 0.00 -1.52 0.00 0.00 31.29 32.76 2k77 h VAL 119 CO 0.51 0.51 0.30 0.00 0.02 0.00 0.00 177.57 178.91 2k77 h ALA 120 N 1.18 0.79 -0.56 1.67 0.00 -1.91 0.66 119.26 121.09 2k77 h ALA 120 Ca 0.02 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 2k77 h ALA 120 Cb 0.94 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.64 2k77 h ALA 120 CO 0.08 -0.05 0.26 0.00 0.00 0.00 0.00 179.25 179.54 2k77 h ALA 121 N 1.34 1.40 -0.14 0.00 0.00 -1.73 -2.00 119.26 118.14 2k77 h ALA 121 Ca 0.28 -0.12 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 121 Cb 0.21 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 17.78 2k77 h ALA 121 CO -0.20 0.47 -0.76 0.00 0.00 0.00 0.00 179.25 178.76 2k77 h ARG 122 N 0.79 0.68 -0.15 0.00 3.08 -1.39 -2.29 114.38 115.10 2k77 h ARG 122 Ca 0.20 -0.55 0.03 0.00 0.07 0.00 0.00 59.98 59.73 2k77 h ARG 122 Cb 0.10 0.11 -0.03 0.00 0.08 0.00 0.00 29.97 30.23 2k77 h ARG 122 CO -0.03 1.17 -0.03 0.28 -1.07 0.00 0.00 179.97 180.29 2k77 h VAL 123 N 0.47 0.86 -0.64 2.04 2.07 -0.73 -0.14 116.25 120.18 2k77 h VAL 123 Ca -0.04 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.48 2k77 h VAL 123 Cb 1.37 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.95 2k77 h VAL 123 CO 0.15 0.00 0.40 -0.07 0.02 0.00 0.00 177.57 178.07 2k77 h LEU 124 N 0.01 0.75 -1.03 2.57 3.38 -1.35 -1.90 115.31 117.73 2k77 h LEU 124 Ca 0.07 -0.04 -0.10 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 124 Cb 0.11 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2k77 h LEU 124 CO -0.15 0.57 -0.45 0.78 0.09 0.00 0.00 178.44 179.27 2k77 h ASN 125 N 0.87 0.06 -0.58 -0.43 2.35 -1.19 0.25 115.58 116.91 2k77 h ASN 125 Ca 0.23 -0.03 -0.08 0.00 -0.55 0.00 0.00 56.30 55.88 2k77 h ASN 125 Cb -0.06 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.27 2k77 h ASN 125 CO -0.05 0.51 0.06 0.78 -1.65 0.00 0.00 177.43 177.09 2k77 h ASN 126 N 0.05 0.94 0.59 5.81 4.21 -0.66 -3.17 115.58 123.35 2k77 h ASN 126 Ca 0.00 -0.28 -0.15 0.00 1.21 0.00 0.00 56.30 57.08 2k77 h ASN 126 Cb 0.83 -0.25 -0.02 0.00 -1.12 0.00 0.00 38.32 37.76 2k77 h ASN 126 CO 0.06 0.98 -0.70 -0.07 -1.29 0.00 0.00 177.43 176.42 2k77 h LEU 127 N 0.87 0.11 0.00 1.61 3.38 -1.05 -3.48 115.31 116.75 2k77 h LEU 127 Ca 0.17 -0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k77 h LEU 127 Cb 0.46 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 127 CO 0.02 0.77 0.00 0.61 0.09 0.00 0.00 178.44 179.93 2k77 n GLY 128 N 0.47 0.71 3.77 0.83 0.00 -0.11 -5.10 105.19 105.77 2k77 n GLY 128 Ca -0.02 0.00 -0.39 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 -1.69 4.29 0.40 1.61 1.01 -0.13 -4.93 120.40 120.94 2k77 s VAL 129 Ca 0.00 1.77 0.08 0.00 0.00 0.00 0.00 61.98 63.83 2k77 s VAL 129 Cb 0.00 -4.14 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2k77 s VAL 129 CO 0.00 0.42 0.08 -0.94 0.00 0.00 0.00 175.10 174.66 2k77 s SER 130 N -1.29 4.16 0.26 3.32 1.04 -1.26 -2.82 113.70 117.11 2k77 s SER 130 Ca 0.40 -1.18 -0.03 0.00 0.48 0.00 0.00 55.95 55.63 2k77 s SER 130 Cb -0.22 -0.45 0.54 0.00 0.10 0.00 0.00 66.02 65.98 2k77 s SER 130 CO 0.27 -0.45 1.67 0.25 0.98 0.00 0.00 173.24 175.96 2k77 h LEU 131 N 1.63 -0.01 -0.17 2.42 6.46 -1.96 -0.82 115.31 122.86 2k77 h LEU 131 Ca -0.43 0.17 -0.05 0.00 -0.12 0.00 0.00 57.88 57.44 2k77 h LEU 131 Cb 1.25 0.23 -0.00 0.00 -0.73 0.00 0.00 40.66 41.40 2k77 h LEU 131 CO 0.74 -0.08 -0.09 -1.13 -0.62 0.00 0.00 178.44 177.25 2k77 h ASN 132 N 0.24 0.37 0.26 1.25 -0.73 -1.98 -1.36 115.58 113.63 2k77 h ASN 132 Ca 0.46 -0.42 -0.20 0.00 1.87 0.00 0.00 56.30 58.01 2k77 h ASN 132 Cb 0.84 -0.10 -0.00 0.00 0.27 0.00 0.00 38.32 39.33 2k77 h ASN 132 CO -0.57 0.71 -0.82 0.11 -0.37 0.00 0.00 177.43 176.48 2k77 h LYS 133 N 0.03 0.43 -0.35 6.67 1.79 -1.89 -0.89 116.57 122.37 2k77 h LYS 133 Ca 0.04 -0.40 -0.04 0.00 -2.18 0.00 0.00 60.65 58.07 2k77 h LYS 133 Cb 0.57 0.10 -0.01 0.00 -1.58 0.00 0.00 32.23 31.31 2k77 h LYS 133 CO 0.03 1.05 0.05 0.00 -1.08 0.00 0.00 179.45 179.50 2k77 h ALA 134 N 0.83 0.46 0.12 3.86 0.00 -1.24 -2.15 119.26 121.15 2k77 h ALA 134 Ca -0.05 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 134 Cb 1.43 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.05 2k77 h ALA 134 CO 0.14 0.17 -0.26 0.00 0.00 0.00 0.00 179.25 179.30 2k77 h ARG 135 N 0.41 -0.46 -0.73 0.00 3.08 -1.13 -1.17 114.38 114.38 2k77 h ARG 135 Ca 0.11 0.03 -0.00 0.00 0.07 0.00 0.00 59.98 60.19 2k77 h ARG 135 Cb 0.36 0.10 -0.04 0.00 0.08 0.00 0.00 29.97 30.48 2k77 h ARG 135 CO 0.01 -0.30 0.46 1.96 -1.07 0.00 0.00 179.97 181.02 2k77 h GLN 136 N -0.47 0.99 -0.14 0.04 4.20 -1.13 0.40 115.11 119.00 2k77 h GLN 136 Ca 0.03 -0.08 -0.19 0.00 0.06 0.00 0.00 58.65 58.47 2k77 h GLN 136 Cb 0.50 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 28.06 2k77 h GLN 136 CO -0.15 0.68 -0.68 1.96 -0.67 0.00 0.00 178.83 179.98 2k77 h GLN 137 N 1.00 0.57 -0.21 1.46 1.08 -1.32 -1.64 115.11 116.04 2k77 h GLN 137 Ca 0.26 -0.42 -0.09 0.00 -1.45 0.00 0.00 58.65 56.95 2k77 h GLN 137 Cb -0.06 0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.44 2k77 h GLN 137 CO -0.05 1.05 -0.24 0.28 -0.95 0.00 0.00 178.83 178.91 2k77 h VAL 138 N 0.40 1.33 0.00 -0.54 2.07 -0.97 -0.40 116.25 118.14 2k77 h VAL 138 Ca -0.02 -1.42 -0.06 0.00 0.82 0.00 0.00 66.70 66.01 2k77 h VAL 138 Cb 1.26 1.77 -0.01 0.00 -1.52 0.00 0.00 31.29 32.79 2k77 h VAL 138 CO 0.13 0.44 -0.30 -0.07 0.02 0.00 0.00 177.57 177.78 2k77 h LEU 139 N 0.21 0.00 0.30 2.57 3.38 -0.97 -1.79 115.31 119.01 2k77 h LEU 139 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.98 2k77 h LEU 139 Cb 0.80 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.55 2k77 h LEU 139 CO 0.06 0.30 -0.14 -0.61 0.09 0.00 0.00 178.44 178.14 2k77 h GLN 140 N 0.00 -0.39 0.00 1.13 4.15 -1.26 -3.39 115.11 115.36 2k77 h GLN 140 Ca -0.00 0.03 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2k77 h GLN 140 Cb 0.63 0.09 0.00 0.00 0.21 0.00 0.00 27.48 28.41 2k77 h GLN 140 CO 0.04 -0.10 0.00 1.25 -1.93 0.00 0.00 178.83 178.09 2k77 h LEU 141 N -1.00 0.00 0.00 -2.39 5.85 -0.90 0.57 115.31 117.44 2k77 h LEU 141 Ca -0.04 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2k77 h LEU 141 Cb 0.47 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.50 2k77 h LEU 141 CO 0.07 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.17 2k77 n LEU 142 N -2.53 0.00 0.00 2.25 -0.00 -0.69 -4.73 117.00 111.30 2k77 n LEU 142 Ca 0.02 0.36 0.00 0.00 -0.00 0.00 0.00 56.01 56.40 2k77 n LEU 142 Cb 0.30 -0.36 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 2k77 n LEU 142 CO 0.24 -0.15 0.00 0.61 -0.00 0.00 0.00 177.39 178.09 2k77 n GLY 143 N 0.23 0.00 0.87 1.47 0.00 -1.09 -5.04 105.19 101.64 2k77 n GLY 143 Ca 0.07 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.20 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 2.81 0.00 1.61 7.64 0.10 -5.12 113.62 120.65 2k77 n SER 144 Ca 0.00 -1.90 0.05 0.00 1.01 0.00 0.00 58.87 58.03 2k77 n SER 144 Cb 0.00 0.01 0.32 0.00 -1.01 0.00 0.00 64.21 63.54 2k77 n SER 144 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57