#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 1.12 -0.00 2.12 0.00 -1.26 -5.10 119.30 116.18 2k77 s MET 2 Ca 0.00 -1.38 0.01 0.00 0.00 0.00 0.00 55.69 54.32 2k77 s MET 2 Cb 0.00 0.31 -0.00 0.00 0.00 0.00 0.00 34.83 35.14 2k77 s MET 2 CO 0.00 -0.38 -0.04 -0.59 0.00 0.00 0.00 175.02 174.01 2k77 s PHE 3 N -4.04 0.34 -2.54 3.16 -0.12 -1.26 -5.06 117.98 108.46 2k77 s PHE 3 Ca 0.25 -0.09 0.23 0.00 -0.05 0.00 0.00 56.93 57.27 2k77 s PHE 3 Cb 0.05 -0.22 0.44 0.00 -0.63 0.00 0.00 43.02 42.66 2k77 s PHE 3 CO 0.04 -0.01 1.41 0.41 -0.05 0.00 0.00 175.22 177.01 2k77 n GLY 4 N 2.89 1.44 3.70 1.99 0.00 -1.26 -4.95 105.19 109.00 2k77 n GLY 4 Ca -0.13 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 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 -1.61 4.43 0.17 1.61 3.00 -1.26 -5.01 118.95 120.27 2k77 s ARG 5 Ca 0.37 1.03 0.06 0.00 -1.00 0.00 0.00 55.73 56.19 2k77 s ARG 5 Cb 0.22 -3.48 -0.04 0.00 0.00 0.00 0.00 34.95 31.64 2k77 s ARG 5 CO 0.31 -0.07 0.10 -0.06 0.00 0.00 0.00 175.30 175.58 2k77 s PHE 6 N 1.21 3.06 0.96 5.12 0.40 -1.26 -0.95 117.98 126.52 2k77 s PHE 6 Ca 0.41 -0.06 -0.12 0.00 -0.60 0.00 0.00 56.93 56.56 2k77 s PHE 6 Cb -0.18 -1.47 0.17 0.00 0.51 0.00 0.00 43.02 42.05 2k77 s PHE 6 CO 0.19 0.52 1.09 0.95 0.70 0.00 0.00 175.22 178.66 2k77 s THR 7 N -1.77 2.39 0.35 0.64 -4.23 -0.15 -4.78 115.64 108.09 2k77 s THR 7 Ca 0.30 0.13 0.05 0.00 -1.18 0.00 0.00 61.69 60.99 2k77 s THR 7 Cb -0.10 -2.53 0.16 0.00 1.34 0.00 0.00 72.50 71.38 2k77 s THR 7 CO 0.22 -0.17 1.89 -0.33 -0.54 0.00 0.00 174.62 175.69 2k77 h GLU 8 N -1.80 0.47 -0.39 3.99 4.39 -1.99 -0.63 114.58 118.62 2k77 h GLU 8 Ca -0.52 -0.10 -0.02 0.00 0.34 0.00 0.00 59.36 59.07 2k77 h GLU 8 Cb 1.30 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.86 2k77 h GLU 8 CO 0.54 0.51 0.18 0.00 -1.16 0.00 0.00 179.01 179.09 2k77 h ARG 9 N 0.46 0.56 -0.25 2.33 3.08 -1.96 -2.41 114.38 116.20 2k77 h ARG 9 Ca 0.10 -0.08 -0.18 0.00 0.07 0.00 0.00 59.98 59.88 2k77 h ARG 9 Cb 0.32 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.28 2k77 h ARG 9 CO 0.01 0.50 -0.55 0.00 -1.07 0.00 0.00 179.97 178.86 2k77 h ALA 10 N 1.03 0.40 -0.77 0.04 0.00 -1.77 -2.23 119.26 115.96 2k77 h ALA 10 Ca 0.13 -0.52 0.05 0.00 0.00 0.00 0.00 54.91 54.58 2k77 h ALA 10 Cb 0.13 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.81 2k77 h ALA 10 CO -0.02 0.62 0.51 1.96 0.00 0.00 0.00 179.25 182.32 2k77 h GLN 11 N 0.56 0.86 -0.62 0.00 4.20 -1.17 -1.89 115.11 117.06 2k77 h GLN 11 Ca 0.00 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.59 2k77 h GLN 11 Cb 1.17 -0.19 -0.02 0.00 0.30 0.00 0.00 27.48 28.73 2k77 h GLN 11 CO 0.12 0.57 0.11 -0.22 -0.67 0.00 0.00 178.83 178.74 2k77 h LYS 12 N 0.89 1.02 -0.37 1.46 3.64 -1.04 -0.34 116.57 121.83 2k77 h LYS 12 Ca 0.32 -0.27 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 2k77 h LYS 12 Cb 0.14 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 2k77 h LYS 12 CO -0.10 0.95 -0.09 -0.39 -2.27 0.00 0.00 179.45 177.54 2k77 h VAL 13 N 0.93 1.24 -0.04 2.00 -1.51 -0.90 -0.69 116.25 117.28 2k77 h VAL 13 Ca 0.19 -1.06 -0.17 0.00 -1.23 0.00 0.00 66.70 64.43 2k77 h VAL 13 Cb 0.42 1.06 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 2k77 h VAL 13 CO 0.01 0.36 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.92 2k77 h LEU 14 N 0.59 0.28 -0.51 4.19 3.38 -1.16 0.57 115.31 122.65 2k77 h LEU 14 Ca 0.11 -0.19 -0.09 0.00 0.09 0.00 0.00 57.88 57.80 2k77 h LEU 14 Cb 0.51 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.16 2k77 h LEU 14 CO 0.03 0.90 -0.04 0.00 0.09 0.00 0.00 178.44 179.42 2k77 h ALA 15 N 1.09 0.69 -0.18 1.53 0.00 -0.90 -2.43 119.26 119.05 2k77 h ALA 15 Ca -0.02 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.50 2k77 h ALA 15 Cb 1.28 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.87 2k77 h ALA 15 CO 0.11 0.54 -0.23 -0.07 0.00 0.00 0.00 179.25 179.60 2k77 h LEU 16 N 0.79 0.32 -0.73 0.00 3.38 -0.99 -1.51 115.31 116.56 2k77 h LEU 16 Ca 0.14 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 2k77 h LEU 16 Cb 0.58 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 16 CO 0.03 0.56 0.31 0.00 0.09 0.00 0.00 178.44 179.44 2k77 h ALA 17 N 1.47 0.95 -0.45 1.53 0.00 -0.72 0.52 119.26 122.56 2k77 h ALA 17 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 17 Cb 0.57 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 2k77 h ALA 17 CO 0.04 0.55 0.09 0.37 0.00 0.00 0.00 179.25 180.30 2k77 h GLN 18 N 1.04 0.73 -0.47 0.00 4.15 -1.21 -1.16 115.11 118.20 2k77 h GLN 18 Ca 0.25 -0.19 -0.11 0.00 0.77 0.00 0.00 58.65 59.37 2k77 h GLN 18 Cb 0.18 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.76 2k77 h GLN 18 CO -0.02 0.74 -0.14 1.49 -1.93 0.00 0.00 178.83 178.97 2k77 h GLU 19 N 0.60 0.88 -0.20 1.69 4.81 -0.98 -1.10 114.58 120.27 2k77 h GLU 19 Ca 0.14 -0.32 -0.19 0.00 -0.13 0.00 0.00 59.36 58.86 2k77 h GLU 19 Cb 0.36 -0.06 0.00 0.00 0.63 0.00 0.00 28.75 29.68 2k77 h GLU 19 CO 0.01 0.96 -0.62 0.93 -0.73 0.00 0.00 179.01 179.55 2k77 h GLU 20 N 0.78 0.71 -0.28 1.92 4.39 -0.92 -0.87 114.58 120.31 2k77 h GLU 20 Ca 0.12 -0.49 0.03 0.00 0.34 0.00 0.00 59.36 59.36 2k77 h GLU 20 Cb 0.66 0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 2k77 h GLU 20 CO 0.05 1.11 0.11 0.00 -1.16 0.00 0.00 179.01 179.13 2k77 h ALA 21 N 0.77 0.33 -0.56 3.43 0.00 -1.05 -0.59 119.26 121.59 2k77 h ALA 21 Ca -0.01 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 21 Cb 1.21 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.97 2k77 h ALA 21 CO 0.13 -0.28 0.06 -0.07 0.00 0.00 0.00 179.25 179.08 2k77 h LEU 22 N 0.25 0.89 -1.14 0.00 3.38 -1.15 0.56 115.31 118.09 2k77 h LEU 22 Ca 0.12 -0.21 -0.08 0.00 0.09 0.00 0.00 57.88 57.81 2k77 h LEU 22 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 2k77 h LEU 22 CO -0.11 0.91 -0.25 0.03 0.09 0.00 0.00 178.44 179.11 2k77 h ARG 23 N 0.87 0.29 0.00 1.13 3.08 -0.96 -2.32 114.38 116.47 2k77 h ARG 23 Ca 0.17 -0.10 0.00 0.00 0.07 0.00 0.00 59.98 60.13 2k77 h ARG 23 Cb 0.43 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.46 2k77 h ARG 23 CO 0.01 0.53 0.00 1.28 -1.07 0.00 0.00 179.97 180.72 2k77 n LEU 24 N -4.15 0.00 -0.36 3.04 4.77 -0.25 -4.94 117.00 115.11 2k77 n LEU 24 Ca -0.01 0.39 -0.05 0.00 -0.03 0.00 0.00 56.01 56.32 2k77 n LEU 24 Cb 0.37 -0.39 -0.02 0.00 -2.33 0.00 0.00 43.42 41.05 2k77 n LEU 24 CO 0.40 -0.02 -0.04 0.61 -1.33 0.00 0.00 177.39 177.00 2k77 n GLY 25 N 1.25 0.73 3.71 -0.72 0.00 -0.66 -4.15 105.19 105.34 2k77 n GLY 25 Ca 0.10 -0.85 -0.38 0.00 0.00 0.00 0.00 46.02 44.89 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 -2.18 3.46 -0.55 1.61 3.76 0.10 -0.91 115.29 120.58 2k77 s HIS 26 Ca 0.00 0.77 0.03 0.00 -0.15 0.00 0.00 55.06 55.71 2k77 s HIS 26 Cb 0.00 -2.52 0.21 0.00 1.11 0.00 0.00 32.58 31.38 2k77 s HIS 26 CO 0.00 0.12 0.98 0.27 -0.85 0.00 0.00 174.74 175.27 2k77 n ASN 27 N 3.90 2.61 -4.01 1.40 6.94 -0.64 -3.59 115.26 121.88 2k77 n ASN 27 Ca -0.08 -2.32 -0.14 0.00 -0.02 0.00 0.00 54.58 52.03 2k77 n ASN 27 Cb 0.51 -0.57 -0.13 0.00 -2.36 0.00 0.00 39.78 37.24 2k77 n ASN 27 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 2k77 s ASN 28 N 0.01 0.69 -0.25 0.53 -0.87 -1.26 -1.78 114.94 112.01 2k77 s ASN 28 Ca 0.15 -0.36 -0.08 0.00 -1.57 0.00 0.00 52.86 51.00 2k77 s ASN 28 Cb 0.12 0.00 -0.03 0.00 -0.02 0.00 0.00 41.25 41.32 2k77 s ASN 28 CO 0.04 -0.11 0.09 -0.63 -2.57 0.00 0.00 177.10 173.92 2k77 s ILE 29 N -0.89 4.57 0.49 0.60 1.01 -0.12 -4.81 121.20 122.06 2k77 s ILE 29 Ca -0.06 -0.08 0.08 0.00 0.00 0.00 0.00 60.65 60.59 2k77 s ILE 29 Cb -0.07 -3.14 0.03 0.00 0.01 0.00 0.00 42.46 39.30 2k77 s ILE 29 CO 0.00 0.33 0.58 -0.83 0.00 0.00 0.00 174.94 175.03 2k77 s GLY 30 N 1.51 1.97 0.32 6.18 0.00 -1.26 -1.51 107.32 114.53 2k77 s GLY 30 Ca 0.06 -1.82 0.05 0.00 0.00 0.00 0.00 44.72 43.00 2k77 s GLY 30 CO 0.05 -1.66 1.86 -0.91 0.00 0.00 0.00 173.10 172.44 2k77 h THR 31 N 0.58 0.90 -0.55 0.90 1.35 -1.92 -1.59 112.91 112.57 2k77 h THR 31 Ca -0.36 -0.30 0.11 0.00 -0.55 0.00 0.00 66.41 65.31 2k77 h THR 31 Cb 1.28 -0.04 -0.10 0.00 -1.73 0.00 0.00 68.15 67.55 2k77 h THR 31 CO 0.48 0.16 -0.12 1.05 -0.25 0.00 0.00 175.52 176.83 2k77 h GLU 32 N 0.87 0.01 -0.09 4.72 9.09 -1.93 0.24 114.58 127.48 2k77 h GLU 32 Ca 0.46 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.72 2k77 h GLU 32 Cb 0.56 -0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.64 2k77 h GLU 32 CO -0.23 0.01 -0.61 0.45 0.05 0.00 0.00 179.01 178.68 2k77 h HIS 33 N 0.01 0.43 -0.41 2.06 3.86 -1.66 -0.37 115.15 119.07 2k77 h HIS 33 Ca 0.27 -0.17 -0.10 0.00 -1.16 0.00 0.00 60.37 59.22 2k77 h HIS 33 Cb 0.41 -0.08 -0.01 0.00 1.06 0.00 0.00 27.41 28.80 2k77 h HIS 33 CO -0.45 0.86 -0.12 0.82 0.86 0.00 0.00 177.93 179.90 2k77 h ILE 34 N 0.25 1.28 -0.35 2.45 2.04 -1.05 0.12 117.51 122.24 2k77 h ILE 34 Ca -0.01 -1.22 -0.05 0.00 1.00 0.00 0.00 64.86 64.58 2k77 h ILE 34 Cb 1.14 1.21 -0.01 0.00 -0.74 0.00 0.00 36.82 38.42 2k77 h ILE 34 CO 0.10 0.41 0.04 0.25 0.00 0.00 0.00 178.15 178.95 2k77 h LEU 35 N 0.62 0.57 -0.76 1.44 5.85 -0.85 -1.20 115.31 120.99 2k77 h LEU 35 Ca 0.10 -0.27 -0.06 0.00 0.84 0.00 0.00 57.88 58.49 2k77 h LEU 35 Cb 0.65 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.50 2k77 h LEU 35 CO 0.04 0.70 0.22 0.25 -0.34 0.00 0.00 178.44 179.32 2k77 h LEU 36 N 0.42 1.08 -1.13 2.25 5.85 -1.03 -2.10 115.31 120.65 2k77 h LEU 36 Ca 0.11 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.61 2k77 h LEU 36 Cb 0.38 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.09 2k77 h LEU 36 CO 0.01 1.01 0.49 1.23 -0.34 0.00 0.00 178.44 180.84 2k77 h GLY 37 N 1.12 1.16 0.94 3.75 0.00 -0.65 -0.68 103.07 108.71 2k77 h GLY 37 Ca 0.24 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 2k77 h GLY 37 CO -0.01 0.46 -0.17 1.41 0.00 0.00 0.00 176.54 178.23 2k77 h LEU 38 N 1.11 -0.41 -1.10 3.11 3.38 -0.73 -1.79 115.31 118.87 2k77 h LEU 38 Ca 0.29 0.02 -0.07 0.00 0.09 0.00 0.00 57.88 58.22 2k77 h LEU 38 Cb -0.06 0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2k77 h LEU 38 CO -0.06 -0.27 -0.31 -0.37 0.09 0.00 0.00 178.44 177.52 2k77 h VAL 39 N -0.44 0.79 -0.04 1.22 -1.51 -1.24 -1.28 116.25 113.76 2k77 h VAL 39 Ca -0.03 -1.30 -0.08 0.00 -1.23 0.00 0.00 66.70 64.05 2k77 h VAL 39 Cb 0.35 1.81 -0.01 0.00 -2.13 0.00 0.00 31.29 31.31 2k77 h VAL 39 CO 0.04 0.30 -0.36 0.03 -1.23 0.00 0.00 177.57 176.35 2k77 h ARG 40 N 0.00 0.08 0.12 5.19 2.47 -1.05 -3.10 114.38 118.09 2k77 h ARG 40 Ca -0.00 -0.03 -0.01 0.00 -1.26 0.00 0.00 59.98 58.68 2k77 h ARG 40 Cb 0.78 -0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.10 2k77 h ARG 40 CO 0.04 0.43 -0.06 1.49 0.56 0.00 0.00 179.97 182.44 2k77 h GLU 41 N 0.07 -0.15 0.00 0.04 4.22 -0.78 -3.48 114.58 114.50 2k77 h GLU 41 Ca 0.01 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.46 2k77 h GLU 41 Cb 0.68 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.96 2k77 h GLU 41 CO 0.05 0.30 0.00 0.41 -2.18 0.00 0.00 179.01 177.59 2k77 n GLY 42 N 0.32 1.88 0.01 1.92 0.00 -0.53 -4.73 105.19 104.06 2k77 n GLY 42 Ca -0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.93 2k77 n GLY 42 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 43 N -2.00 3.22 -0.94 1.61 2.13 -1.26 -4.43 120.64 118.96 2k77 n GLU 43 Ca 0.00 -0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 2k77 n GLU 43 Cb 0.00 -1.07 0.14 0.00 0.27 0.00 0.00 31.44 30.78 2k77 n GLU 43 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2k77 n GLY 44 N 2.79 -0.33 0.29 8.31 0.00 -1.26 -4.60 105.19 110.38 2k77 n GLY 44 Ca -0.04 -0.58 0.03 0.00 0.00 0.00 0.00 46.02 45.44 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 -1.27 0.83 -0.41 -0.61 1.08 -1.95 -0.23 117.51 114.95 2k77 h ILE 45 Ca -0.45 -0.23 -0.06 0.00 -0.39 0.00 0.00 64.86 63.74 2k77 h ILE 45 Cb 1.29 0.11 -0.02 0.00 -3.07 0.00 0.00 36.82 35.13 2k77 h ILE 45 CO 0.43 0.12 0.03 0.00 -0.69 0.00 0.00 178.15 178.04 2k77 h ALA 46 N 1.47 0.54 -0.29 1.87 0.00 -1.89 0.75 119.26 121.72 2k77 h ALA 46 Ca 0.40 -0.24 -0.09 0.00 0.00 0.00 0.00 54.91 54.97 2k77 h ALA 46 Cb 0.44 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k77 h ALA 46 CO -0.29 0.30 -0.19 0.00 0.00 0.00 0.00 179.25 179.06 2k77 h ALA 47 N 0.90 1.12 -0.44 0.00 0.00 -1.60 -0.42 119.26 118.82 2k77 h ALA 47 Ca 0.12 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 2k77 h ALA 47 Cb 0.43 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 2k77 h ALA 47 CO 0.02 0.55 -0.17 -0.22 0.00 0.00 0.00 179.25 179.42 2k77 h LYS 48 N 0.48 0.86 -0.57 0.00 3.64 -0.93 -1.70 116.57 118.35 2k77 h LYS 48 Ca 0.08 -0.33 -0.10 0.00 -1.27 0.00 0.00 60.65 59.04 2k77 h LYS 48 Cb 0.61 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.36 2k77 h LYS 48 CO 0.04 0.96 -0.01 0.00 -2.27 0.00 0.00 179.45 178.17 2k77 h ALA 49 N 1.05 0.78 -0.15 5.00 0.00 -0.50 0.30 119.26 125.73 2k77 h ALA 49 Ca 0.11 -0.31 -0.00 0.00 0.00 0.00 0.00 54.91 54.71 2k77 h ALA 49 Cb 0.70 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k77 h ALA 49 CO 0.05 0.62 0.08 -0.07 0.00 0.00 0.00 179.25 179.94 2k77 h LEU 50 N 0.91 0.19 -1.16 0.00 3.38 -1.00 -1.91 115.31 115.72 2k77 h LEU 50 Ca 0.16 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 57.98 2k77 h LEU 50 Cb 0.57 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2k77 h LEU 50 CO 0.03 0.22 -0.14 1.56 0.09 0.00 0.00 178.44 180.20 2k77 h GLN 51 N 0.15 0.42 -0.26 1.13 4.20 -1.24 -0.90 115.11 118.60 2k77 h GLN 51 Ca 0.05 -0.12 -0.06 0.00 0.06 0.00 0.00 58.65 58.58 2k77 h GLN 51 Cb 0.07 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 27.79 2k77 h GLN 51 CO -0.01 0.56 -0.11 0.00 -0.67 0.00 0.00 178.83 178.60 2k77 h ALA 52 N 1.47 1.32 0.00 3.87 0.00 -0.76 -1.24 119.26 123.93 2k77 h ALA 52 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 52 Cb 0.48 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.14 2k77 h ALA 52 CO 0.03 0.45 0.00 1.28 0.00 0.00 0.00 179.25 181.01 2k77 n LEU 53 N -4.23 0.01 0.00 0.00 4.77 -0.73 -4.90 117.00 111.92 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 0.30 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.39 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 0.46 0.75 3.44 -0.72 0.00 -0.47 -5.01 105.19 103.64 2k77 n GLY 54 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 4.70 0.67 0.99 1.43 -0.38 -4.95 118.68 121.14 2k77 s LEU 55 Ca 0.00 -1.32 -0.14 0.00 -1.03 0.00 0.00 54.13 51.64 2k77 s LEU 55 Cb 0.00 -2.40 0.01 0.00 0.03 0.00 0.00 46.19 43.83 2k77 s LEU 55 CO 0.00 -1.30 1.11 -0.83 0.23 0.00 0.00 176.35 175.56 2k77 s GLY 56 N 3.67 2.10 0.24 -3.19 0.00 -1.26 -3.35 107.32 105.53 2k77 s GLY 56 Ca 0.23 0.52 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2k77 s GLY 56 CO 0.05 0.87 1.77 0.23 0.00 0.00 0.00 173.10 176.02 2k77 h SER 57 N -0.12 0.50 0.12 1.64 0.87 -1.96 -2.35 113.55 112.24 2k77 h SER 57 Ca -0.46 0.08 -0.04 0.00 -1.23 0.00 0.00 61.79 60.14 2k77 h SER 57 Cb 1.25 -0.01 -0.01 0.00 -0.44 0.00 0.00 62.40 63.19 2k77 h SER 57 CO 0.54 0.25 -0.15 1.05 -0.53 0.00 0.00 176.83 177.99 2k77 h GLU 58 N 0.62 0.07 0.01 2.24 4.11 -1.96 0.51 114.58 120.18 2k77 h GLU 58 Ca 0.41 -0.01 -0.15 0.00 0.07 0.00 0.00 59.36 59.68 2k77 h GLU 58 Cb 0.50 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 29.75 2k77 h GLU 58 CO -0.32 0.22 -0.58 0.87 0.07 0.00 0.00 179.01 179.27 2k77 h LYS 59 N 0.07 0.37 -0.43 1.06 6.56 -1.81 -0.66 116.57 121.72 2k77 h LYS 59 Ca 0.01 -0.42 -0.03 0.00 -1.06 0.00 0.00 60.65 59.16 2k77 h LYS 59 Cb 0.30 0.12 -0.02 0.00 -0.57 0.00 0.00 32.23 32.07 2k77 h LYS 59 CO 0.02 1.10 0.16 0.82 -2.06 0.00 0.00 179.45 179.49 2k77 h ILE 60 N -0.18 1.21 -0.46 1.86 2.04 -1.39 -2.24 117.51 118.36 2k77 h ILE 60 Ca -0.08 -0.66 -0.00 0.00 1.00 0.00 0.00 64.86 65.11 2k77 h ILE 60 Cb 1.31 0.83 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2k77 h ILE 60 CO 0.11 0.24 0.27 -0.61 0.00 0.00 0.00 178.15 178.17 2k77 h GLN 61 N 0.56 0.62 -0.38 2.37 4.15 -0.94 -0.23 115.11 121.26 2k77 h GLN 61 Ca 0.14 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.53 2k77 h GLN 61 Cb 0.22 -0.13 -0.03 0.00 0.21 0.00 0.00 27.48 27.75 2k77 h GLN 61 CO -0.01 0.46 0.20 -0.22 -1.93 0.00 0.00 178.83 177.34 2k77 h LYS 62 N 0.61 0.40 -0.15 1.69 3.11 -1.03 -0.50 116.57 120.70 2k77 h LYS 62 Ca 0.16 -0.02 -0.16 0.00 -2.81 0.00 0.00 60.65 57.82 2k77 h LYS 62 Cb 0.01 -0.09 -0.01 0.00 -1.00 0.00 0.00 32.23 31.14 2k77 h LYS 62 CO -0.03 0.27 -0.57 0.93 -2.81 0.00 0.00 179.45 177.24 2k77 h GLU 63 N 0.42 0.47 0.57 1.90 4.39 -1.21 -1.04 114.58 120.08 2k77 h GLU 63 Ca 0.16 -0.30 -0.02 0.00 0.34 0.00 0.00 59.36 59.53 2k77 h GLU 63 Cb 0.04 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2k77 h GLU 63 CO -0.09 0.91 -0.33 0.28 -1.16 0.00 0.00 179.01 178.62 2k77 h VAL 64 N 0.36 0.33 -0.97 3.13 2.07 -0.85 -2.73 116.25 117.58 2k77 h VAL 64 Ca 0.00 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.53 2k77 h VAL 64 Cb 1.10 0.33 -0.05 0.00 -1.52 0.00 0.00 31.29 31.15 2k77 h VAL 64 CO 0.10 0.00 0.64 -0.33 0.02 0.00 0.00 177.57 178.01 2k77 h GLU 65 N -0.84 1.27 0.00 1.57 5.08 -1.05 -2.18 114.58 118.43 2k77 h GLU 65 Ca -0.07 -0.08 -0.03 0.00 -1.00 0.00 0.00 59.36 58.19 2k77 h GLU 65 Cb 0.67 -0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.63 2k77 h GLU 65 CO 0.09 0.84 -0.12 0.77 -1.00 0.00 0.00 179.01 179.59 2k77 h SER 66 N 1.31 0.00 0.26 1.42 0.02 -1.16 -1.19 113.55 114.20 2k77 h SER 66 Ca 0.36 0.00 -0.17 0.00 -0.84 0.00 0.00 61.79 61.14 2k77 h SER 66 Cb -0.14 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.37 2k77 h SER 66 CO -0.08 0.12 -1.90 0.18 -1.14 0.00 0.00 176.83 174.01 2k77 n LEU 67 N -3.50 0.30 -0.07 5.07 4.77 -0.87 -4.70 117.00 117.99 2k77 n LEU 67 Ca -0.01 0.13 -0.10 0.00 -0.03 0.00 0.00 56.01 56.00 2k77 n LEU 67 Cb 0.27 0.18 -0.06 0.00 -2.33 0.00 0.00 43.42 41.48 2k77 n LEU 67 CO 0.30 0.20 -0.95 2.30 -1.33 0.00 0.00 177.39 177.90 2k77 n ILE 68 N -2.63 0.79 0.00 -0.08 -5.35 -0.92 -5.08 119.36 106.10 2k77 n ILE 68 Ca -0.15 -0.30 0.00 0.00 -0.27 0.00 0.00 62.75 62.03 2k77 n ILE 68 Cb 0.84 -0.99 0.00 0.00 -1.74 0.00 0.00 39.64 37.75 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 2.84 1.44 4.97 3.28 0.00 -0.45 -4.70 105.19 112.57 2k77 n GLY 69 Ca -0.24 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 45.68 2k77 n GLY 69 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k77 n ARG 70 N 10.44 0.00 0.00 1.61 1.74 -1.26 -4.80 116.66 124.38 2k77 n ARG 70 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 2k77 n ARG 70 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k77 n GLY 71 N 0.00 -2.65 2.37 -0.13 0.00 -1.26 -5.05 105.19 98.47 2k77 n GLY 71 Ca 0.00 -1.04 -0.26 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.13 0.53 -3.61 1.61 6.02 -0.09 -4.92 117.38 116.79 2k77 n GLN 72 Ca 0.00 -3.32 -0.40 0.00 -0.01 0.00 0.00 57.00 53.27 2k77 n GLN 72 Cb 0.00 -1.60 -0.10 0.00 1.02 0.00 0.00 30.24 29.56 2k77 n GLN 72 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2k77 s GLU 73 N -0.49 2.61 0.00 -1.09 2.12 -1.06 -1.61 118.70 119.18 2k77 s GLU 73 Ca 0.33 -1.43 0.00 0.00 0.36 0.00 0.00 54.97 54.23 2k77 s GLU 73 Cb 0.08 -3.76 0.00 0.00 0.26 0.00 0.00 34.13 30.70 2k77 s GLU 73 CO -0.17 -0.93 0.10 -1.33 -0.54 0.00 0.00 175.26 172.40 2k77 n MET 74 N 4.91 2.08 -3.94 4.30 2.81 -1.26 -5.04 117.12 120.98 2k77 n MET 74 Ca -0.10 -0.10 -0.10 0.00 -1.81 0.00 0.00 57.70 55.59 2k77 n MET 74 Cb 0.43 -0.46 -0.06 0.00 -0.71 0.00 0.00 33.22 32.42 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 -0.33 -0.05 0.05 7.83 0.15 -1.26 -5.07 113.70 115.02 2k77 s SER 75 Ca 0.00 -0.84 0.22 0.00 0.70 0.00 0.00 55.95 56.04 2k77 s SER 75 Cb 0.00 0.50 -0.09 0.00 -1.71 0.00 0.00 66.02 64.73 2k77 s SER 75 CO 0.00 -0.99 0.87 1.67 1.20 0.00 0.00 173.24 175.99 2k77 n GLN 76 N -0.29 0.43 -4.41 5.44 -0.06 -1.26 -4.71 117.38 112.52 2k77 n GLN 76 Ca -0.06 -0.03 -0.25 0.00 -2.00 0.00 0.00 57.00 54.66 2k77 n GLN 76 Cb 0.63 -1.61 -0.11 0.00 -4.06 0.00 0.00 30.24 25.08 2k77 n GLN 76 CO 0.00 0.00 0.00 -0.08 -0.20 0.00 0.00 177.06 176.78 2k77 s THR 77 N -3.30 2.25 0.31 1.69 -1.32 -1.26 -5.08 115.64 108.93 2k77 s THR 77 Ca 0.00 -2.07 -0.20 0.00 -1.21 0.00 0.00 61.69 58.21 2k77 s THR 77 Cb 0.13 -2.09 -0.09 0.00 -1.51 0.00 0.00 72.50 68.94 2k77 s THR 77 CO 0.83 -0.21 0.81 -0.63 -2.21 0.00 0.00 174.62 173.21 2k77 s ILE 78 N -1.91 4.51 -0.02 5.08 1.09 -1.26 -4.80 121.20 123.89 2k77 s ILE 78 Ca 0.21 1.31 0.05 0.00 -1.10 0.00 0.00 60.65 61.12 2k77 s ILE 78 Cb -0.07 -3.76 -0.01 0.00 -1.06 0.00 0.00 42.46 37.56 2k77 s ILE 78 CO 0.10 -0.02 -0.17 -2.28 -0.10 0.00 0.00 174.94 172.47 2k77 s HIS 79 N -1.80 1.60 -0.14 3.97 5.65 -0.73 -4.97 115.29 118.87 2k77 s HIS 79 Ca 0.51 -0.37 -0.27 0.00 0.25 0.00 0.00 55.06 55.19 2k77 s HIS 79 Cb -0.14 -1.05 -0.01 0.00 -1.18 0.00 0.00 32.58 30.20 2k77 s HIS 79 CO 0.19 -0.08 0.90 0.71 -0.65 0.00 0.00 174.74 175.81 2k77 s TYR 80 N -0.23 3.46 0.87 3.88 1.51 -1.26 -0.94 117.35 124.64 2k77 s TYR 80 Ca 0.03 1.40 -0.11 0.00 -1.01 0.00 0.00 57.07 57.38 2k77 s TYR 80 Cb -0.09 -3.08 0.12 0.00 -0.11 0.00 0.00 41.96 38.80 2k77 s TYR 80 CO 0.00 -0.22 1.14 0.95 -1.11 0.00 0.00 175.55 176.31 2k77 s THR 81 N 2.06 2.31 0.42 -0.71 -4.23 -0.57 -4.74 115.64 110.18 2k77 s THR 81 Ca 0.42 0.11 0.12 0.00 -1.18 0.00 0.00 61.69 61.16 2k77 s THR 81 Cb -0.17 -2.27 0.32 0.00 1.34 0.00 0.00 72.50 71.72 2k77 s THR 81 CO 0.15 -0.13 1.96 -0.65 -0.54 0.00 0.00 174.62 175.41 2k77 h PRO 82 N -1.58 0.47 -0.13 3.99 0.11 -1.97 0.63 132.00 133.52 2k77 h PRO 82 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.63 2k77 h PRO 82 Cb 1.26 -0.11 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 2k77 h PRO 82 CO 0.44 0.31 0.02 0.00 -0.21 0.00 0.00 178.00 178.56 2k77 h ARG 83 N 0.48 0.21 -0.65 1.05 2.47 -1.93 -0.88 114.38 115.14 2k77 h ARG 83 Ca 0.30 -0.06 -0.09 0.00 -1.26 0.00 0.00 59.98 58.88 2k77 h ARG 83 Cb 0.54 -0.02 -0.02 0.00 -1.65 0.00 0.00 29.97 28.81 2k77 h ARG 83 CO -0.09 0.41 0.06 0.00 0.56 0.00 0.00 179.97 180.91 2k77 h ALA 84 N 0.79 0.86 -0.82 0.04 0.00 -1.67 -1.66 119.26 116.80 2k77 h ALA 84 Ca 0.04 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.64 2k77 h ALA 84 Cb 0.30 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.81 2k77 h ALA 84 CO 0.00 0.67 0.45 -0.22 0.00 0.00 0.00 179.25 180.15 2k77 h LYS 85 N 1.01 1.15 -0.66 0.00 3.64 -0.84 -0.04 116.57 120.83 2k77 h LYS 85 Ca 0.19 -0.13 -0.08 0.00 -1.27 0.00 0.00 60.65 59.36 2k77 h LYS 85 Cb 0.50 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 32.06 2k77 h LYS 85 CO 0.02 0.84 0.11 -0.22 -2.27 0.00 0.00 179.45 177.93 2k77 h LYS 86 N 1.14 1.09 -0.33 1.90 1.63 -0.99 -1.04 116.57 119.98 2k77 h LYS 86 Ca 0.29 -0.29 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2k77 h LYS 86 Cb 0.03 -0.13 -0.02 0.00 -0.60 0.00 0.00 32.23 31.51 2k77 h LYS 86 CO -0.05 0.99 0.21 0.28 -3.45 0.00 0.00 179.45 177.44 2k77 h VAL 87 N 1.02 1.09 -0.62 2.00 2.07 -0.91 -0.68 116.25 120.23 2k77 h VAL 87 Ca 0.20 -0.18 0.00 0.00 0.82 0.00 0.00 66.70 67.55 2k77 h VAL 87 Cb 0.44 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 2k77 h VAL 87 CO 0.01 0.09 0.39 0.40 0.02 0.00 0.00 177.57 178.48 2k77 h ILE 88 N 0.44 1.17 -0.59 4.57 1.08 -0.70 0.17 117.51 123.64 2k77 h ILE 88 Ca 0.12 -0.34 -0.02 0.00 -0.39 0.00 0.00 64.86 64.23 2k77 h ILE 88 Cb -0.04 0.29 -0.03 0.00 -3.07 0.00 0.00 36.82 33.97 2k77 h ILE 88 CO -0.02 0.17 0.29 -0.33 -0.69 0.00 0.00 178.15 177.57 2k77 h GLU 89 N 0.83 0.84 0.00 2.37 5.08 -1.11 -2.90 114.58 119.69 2k77 h GLU 89 Ca 0.22 -0.12 -0.08 0.00 -1.00 0.00 0.00 59.36 58.38 2k77 h GLU 89 Cb -0.06 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.02 2k77 h GLU 89 CO -0.05 0.67 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.18 2k77 h LEU 90 N 0.80 0.00 -0.31 1.33 3.38 -0.68 -1.99 115.31 117.85 2k77 h LEU 90 Ca 0.20 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 90 Cb 0.10 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2k77 h LEU 90 CO -0.03 0.39 0.03 0.28 0.09 0.00 0.00 178.44 179.20 2k77 h SER 91 N 0.00 0.51 0.76 -0.43 0.02 -0.48 0.41 113.55 114.33 2k77 h SER 91 Ca -0.00 -0.28 -0.09 0.00 -0.84 0.00 0.00 61.79 60.57 2k77 h SER 91 Cb 0.89 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 2k77 h SER 91 CO 0.05 0.66 -0.44 0.00 -1.14 0.00 0.00 176.83 175.97 2k77 h MET 92 N 0.33 0.00 -0.23 3.45 -0.00 -1.49 -1.72 114.93 115.27 2k77 h MET 92 Ca 0.09 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.62 2k77 h MET 92 Cb 0.39 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 31.98 2k77 h MET 92 CO 0.01 0.44 -0.55 0.22 -0.00 0.00 0.00 176.91 177.03 2k77 h ASP 93 N 0.00 0.76 -0.16 -0.10 3.58 -1.08 -0.82 116.42 118.59 2k77 h ASP 93 Ca -0.00 -0.40 -0.11 0.00 0.42 0.00 0.00 57.03 56.93 2k77 h ASP 93 Cb 0.94 -0.22 -0.01 0.00 1.72 0.00 0.00 39.33 41.76 2k77 h ASP 93 CO 0.06 1.15 -0.27 -0.33 -2.88 0.00 0.00 179.24 176.97 2k77 h GLU 94 N 0.52 0.63 -0.27 0.28 4.39 -0.88 -2.13 114.58 117.12 2k77 h GLU 94 Ca 0.01 -0.26 -0.04 0.00 0.34 0.00 0.00 59.36 59.41 2k77 h GLU 94 Cb 1.12 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.73 2k77 h GLU 94 CO 0.11 0.84 0.02 0.00 -1.16 0.00 0.00 179.01 178.82 2k77 h ALA 95 N 1.16 0.36 -0.01 3.43 0.00 -1.19 -2.67 119.26 120.33 2k77 h ALA 95 Ca 0.07 -0.20 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 95 Cb 0.75 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.42 2k77 h ALA 95 CO 0.06 0.06 -0.50 0.07 0.00 0.00 0.00 179.25 178.94 2k77 h ARG 96 N 0.25 0.03 -0.73 0.00 0.11 -1.17 -1.36 114.38 111.51 2k77 h ARG 96 Ca 0.08 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.14 2k77 h ARG 96 Cb 0.37 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.42 2k77 h ARG 96 CO 0.01 0.53 0.46 -0.22 0.10 0.00 0.00 179.97 180.85 2k77 h LYS 97 N 0.03 0.98 0.00 0.08 3.64 -1.34 -1.30 116.57 118.65 2k77 h LYS 97 Ca -0.00 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2k77 h LYS 97 Cb 0.90 -0.21 0.00 0.00 -0.41 0.00 0.00 32.23 32.50 2k77 h LYS 97 CO 0.07 0.67 0.00 1.28 -2.27 0.00 0.00 179.45 179.20 2k77 n LEU 98 N -4.41 0.00 -0.73 5.20 4.32 -1.01 -4.91 117.00 115.45 2k77 n LEU 98 Ca 0.08 0.12 -0.10 0.00 -0.02 0.00 0.00 56.01 56.09 2k77 n LEU 98 Cb 0.05 -0.12 -0.04 0.00 -1.62 0.00 0.00 43.42 41.69 2k77 n LEU 98 CO 0.37 -0.02 -0.09 0.61 -1.22 0.00 0.00 177.39 177.04 2k77 n GLY 99 N 0.81 1.11 3.83 -0.72 0.00 -0.49 -5.03 105.19 104.70 2k77 n GLY 99 Ca 0.17 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.33 2.81 -0.41 1.61 5.04 -0.54 -5.00 115.29 116.47 2k77 s HIS 100 Ca 0.00 0.95 0.13 0.00 -1.54 0.00 0.00 55.06 54.60 2k77 s HIS 100 Cb 0.00 -3.28 -0.17 0.00 0.04 0.00 0.00 32.58 29.17 2k77 s HIS 100 CO 0.00 -1.90 0.47 0.43 -2.34 0.00 0.00 174.74 171.40 2k77 n SER 101 N -3.47 1.06 -3.63 9.88 7.64 -1.26 -4.59 113.62 119.26 2k77 n SER 101 Ca 0.07 -0.53 -0.11 0.00 1.01 0.00 0.00 58.87 59.31 2k77 n SER 101 Cb 0.58 1.21 -0.05 0.00 -1.01 0.00 0.00 64.21 64.95 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 -2.48 -0.23 -0.43 1.43 -0.85 -1.26 -4.82 117.35 108.70 2k77 s TYR 102 Ca 0.02 -0.03 -0.24 0.00 -0.52 0.00 0.00 57.07 56.30 2k77 s TYR 102 Cb 0.09 0.27 0.02 0.00 0.38 0.00 0.00 41.96 42.73 2k77 s TYR 102 CO 0.55 -0.69 0.85 0.08 -1.52 0.00 0.00 175.55 174.82 2k77 s VAL 103 N -3.57 4.59 0.73 -3.49 1.01 -0.12 -4.89 120.40 114.65 2k77 s VAL 103 Ca 0.01 0.72 -0.07 0.00 0.00 0.00 0.00 61.98 62.65 2k77 s VAL 103 Cb 0.01 -4.34 0.08 0.00 0.00 0.00 0.00 36.38 32.13 2k77 s VAL 103 CO -0.10 -0.69 1.04 -0.83 0.00 0.00 0.00 175.10 174.52 2k77 s GLY 104 N 2.10 1.70 0.30 4.51 0.00 -1.26 -0.97 107.32 113.69 2k77 s GLY 104 Ca 0.34 -1.00 0.04 0.00 0.00 0.00 0.00 44.72 44.10 2k77 s GLY 104 CO 0.22 -0.56 1.81 -0.91 0.00 0.00 0.00 173.10 173.67 2k77 h THR 105 N -0.68 0.81 -0.06 0.90 1.35 -1.93 -1.56 112.91 111.74 2k77 h THR 105 Ca -0.44 -0.29 0.03 0.00 -0.55 0.00 0.00 66.41 65.16 2k77 h THR 105 Cb 1.31 -0.12 -0.06 0.00 -1.73 0.00 0.00 68.15 67.54 2k77 h THR 105 CO 0.57 0.16 -0.44 1.05 -0.25 0.00 0.00 175.52 176.61 2k77 h GLU 106 N 0.86 -0.54 -0.01 4.72 9.09 -1.93 -2.76 114.58 124.01 2k77 h GLU 106 Ca 0.53 0.04 -0.05 0.00 0.05 0.00 0.00 59.36 59.93 2k77 h GLU 106 Cb 0.71 0.12 -0.01 0.00 -1.65 0.00 0.00 28.75 27.93 2k77 h GLU 106 CO -0.31 -0.36 -0.22 0.45 0.05 0.00 0.00 179.01 178.62 2k77 h HIS 107 N -0.56 0.02 -0.14 2.06 3.86 -1.67 -1.42 115.15 117.30 2k77 h HIS 107 Ca 0.05 -0.00 0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2k77 h HIS 107 Cb 0.65 -0.00 -0.02 0.00 1.06 0.00 0.00 27.41 29.10 2k77 h HIS 107 CO -0.47 0.23 0.04 0.82 0.86 0.00 0.00 177.93 179.41 2k77 h ILE 108 N 0.02 0.96 -0.44 2.45 2.04 -1.11 -0.92 117.51 120.50 2k77 h ILE 108 Ca 0.00 -0.04 -0.08 0.00 1.00 0.00 0.00 64.86 65.74 2k77 h ILE 108 Cb 0.39 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.30 2k77 h ILE 108 CO 0.03 0.02 -0.05 0.25 0.00 0.00 0.00 178.15 178.40 2k77 h LEU 109 N 0.11 0.81 -0.94 1.44 5.85 -1.09 -0.18 115.31 121.30 2k77 h LEU 109 Ca 0.06 -0.33 0.16 0.00 0.84 0.00 0.00 57.88 58.61 2k77 h LEU 109 Cb 0.04 -0.22 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 2k77 h LEU 109 CO -0.07 0.95 0.55 -0.07 -0.34 0.00 0.00 178.44 179.46 2k77 h LEU 110 N 0.65 0.72 -0.22 2.25 3.38 -1.18 -1.71 115.31 119.20 2k77 h LEU 110 Ca 0.12 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.14 2k77 h LEU 110 Cb 0.56 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2k77 h LEU 110 CO 0.03 0.30 0.02 1.23 0.09 0.00 0.00 178.44 180.12 2k77 h GLY 111 N 0.76 0.41 0.49 0.83 0.00 -0.69 -2.01 103.07 102.86 2k77 h GLY 111 Ca 0.52 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.64 2k77 h GLY 111 CO -0.35 0.26 0.28 1.41 0.00 0.00 0.00 176.54 178.14 2k77 h LEU 112 N 0.16 0.33 0.13 3.11 3.38 -0.17 -1.72 115.31 120.53 2k77 h LEU 112 Ca 0.07 0.06 -0.29 0.00 0.09 0.00 0.00 57.88 57.81 2k77 h LEU 112 Cb 0.36 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2k77 h LEU 112 CO 0.01 0.20 -1.35 0.16 0.09 0.00 0.00 178.44 177.56 2k77 h ILE 113 N 0.49 1.38 0.00 1.22 3.07 -1.46 -3.32 117.51 118.89 2k77 h ILE 113 Ca 0.30 -2.97 -0.05 0.00 1.55 0.00 0.00 64.86 63.70 2k77 h ILE 113 Cb 0.32 2.89 -0.01 0.00 -0.27 0.00 0.00 36.82 39.75 2k77 h ILE 113 CO -0.26 0.86 -0.23 -0.09 -1.05 0.00 0.00 178.15 177.38 2k77 h ARG 114 N 0.07 0.00 -0.40 0.16 2.43 -1.17 -3.00 114.38 112.48 2k77 h ARG 114 Ca -0.17 0.00 -0.09 0.00 -0.81 0.00 0.00 59.98 58.91 2k77 h ARG 114 Cb 1.99 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 31.53 2k77 h ARG 114 CO 0.19 0.23 -0.10 1.49 -1.51 0.00 0.00 179.97 180.27 2k77 h GLU 115 N 0.00 0.78 0.00 0.20 4.22 -1.41 -3.47 114.58 114.89 2k77 h GLU 115 Ca -0.00 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.14 2k77 h GLU 115 Cb 0.45 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.66 2k77 h GLU 115 CO 0.03 0.91 0.00 0.41 -2.18 0.00 0.00 179.01 178.18 2k77 n GLY 116 N -0.19 0.73 0.04 1.92 0.00 -1.13 -4.74 105.19 101.82 2k77 n GLY 116 Ca -0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 45.96 2k77 n GLY 116 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 117 N -2.00 2.11 -1.03 1.61 1.02 -1.26 -4.89 120.64 116.19 2k77 n GLU 117 Ca 0.00 0.01 -0.31 0.00 -0.02 0.00 0.00 57.16 56.84 2k77 n GLU 117 Cb 0.00 -1.19 0.12 0.00 -0.02 0.00 0.00 31.44 30.36 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 -4.17 1.75 0.40 0.62 0.00 -1.26 -4.93 107.32 99.72 2k77 s GLY 118 Ca -0.06 0.47 0.12 0.00 0.00 0.00 0.00 44.72 45.25 2k77 s GLY 118 CO 0.28 0.85 1.92 -2.08 0.00 0.00 0.00 173.10 174.07 2k77 h VAL 119 N -1.37 0.85 -0.82 1.40 2.07 -1.96 -2.74 116.25 113.68 2k77 h VAL 119 Ca -0.44 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.00 2k77 h VAL 119 Cb 1.25 0.27 -0.07 0.00 -1.52 0.00 0.00 31.29 31.22 2k77 h VAL 119 CO 0.47 0.10 0.47 0.00 0.02 0.00 0.00 177.57 178.62 2k77 h ALA 120 N 1.64 1.17 -0.34 1.67 0.00 -1.90 0.25 119.26 121.74 2k77 h ALA 120 Ca 0.37 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.23 2k77 h ALA 120 Cb 0.69 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 2k77 h ALA 120 CO -0.13 0.10 -0.14 0.00 0.00 0.00 0.00 179.25 179.08 2k77 h ALA 121 N 1.45 1.12 -0.24 0.00 0.00 -1.66 -2.77 119.26 117.16 2k77 h ALA 121 Ca 0.40 -0.30 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 2k77 h ALA 121 Cb 0.36 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 2k77 h ALA 121 CO -0.25 0.55 -0.06 0.00 0.00 0.00 0.00 179.25 179.49 2k77 h ARG 122 N 0.55 0.46 -0.10 0.00 3.08 -1.25 -2.80 114.38 114.33 2k77 h ARG 122 Ca 0.10 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.00 2k77 h ARG 122 Cb 0.56 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.54 2k77 h ARG 122 CO 0.04 0.69 -0.14 0.28 -1.07 0.00 0.00 179.97 179.77 2k77 h VAL 123 N 0.20 0.63 -0.69 2.04 2.07 -0.95 0.09 116.25 119.64 2k77 h VAL 123 Ca 0.06 0.00 -0.06 0.00 0.82 0.00 0.00 66.70 67.52 2k77 h VAL 123 Cb 0.52 0.63 -0.03 0.00 -1.52 0.00 0.00 31.29 30.89 2k77 h VAL 123 CO 0.02 0.00 0.18 -0.07 0.02 0.00 0.00 177.57 177.72 2k77 h LEU 124 N -0.19 1.02 -0.70 2.57 3.38 -1.53 -1.83 115.31 118.03 2k77 h LEU 124 Ca 0.08 -0.20 -0.14 0.00 0.09 0.00 0.00 57.88 57.71 2k77 h LEU 124 Cb 0.30 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 2k77 h LEU 124 CO -0.21 0.97 -0.48 0.78 0.09 0.00 0.00 178.44 179.59 2k77 h ASN 125 N 1.03 0.44 -0.54 -0.43 2.35 -1.22 -0.27 115.58 116.94 2k77 h ASN 125 Ca 0.22 -0.21 -0.07 0.00 -0.55 0.00 0.00 56.30 55.68 2k77 h ASN 125 Cb 0.34 -0.12 -0.02 0.00 0.05 0.00 0.00 38.32 38.56 2k77 h ASN 125 CO -0.00 0.85 0.07 0.78 -1.65 0.00 0.00 177.43 177.48 2k77 h ASN 126 N 0.32 0.91 0.46 5.81 4.21 -0.67 -3.06 115.58 123.56 2k77 h ASN 126 Ca 0.02 -0.21 -0.18 0.00 1.21 0.00 0.00 56.30 57.14 2k77 h ASN 126 Cb 0.97 -0.24 -0.01 0.00 -1.12 0.00 0.00 38.32 37.92 2k77 h ASN 126 CO 0.08 0.93 -0.75 -0.07 -1.29 0.00 0.00 177.43 176.33 2k77 h LEU 127 N 0.89 0.29 0.00 1.61 3.38 -1.19 -3.48 115.31 116.82 2k77 h LEU 127 Ca 0.18 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 127 Cb 0.43 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2k77 h LEU 127 CO 0.01 0.94 0.00 0.61 0.09 0.00 0.00 178.44 180.09 2k77 n GLY 128 N 0.60 0.03 3.83 0.83 0.00 -0.38 -5.11 105.19 104.99 2k77 n GLY 128 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.02 4.70 0.35 1.61 1.01 -0.25 -4.94 120.40 121.85 2k77 s VAL 129 Ca 0.00 1.03 0.08 0.00 0.00 0.00 0.00 61.98 63.09 2k77 s VAL 129 Cb 0.00 -3.76 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2k77 s VAL 129 CO 0.00 0.13 0.14 -0.94 0.00 0.00 0.00 175.10 174.43 2k77 s SER 130 N -1.83 4.63 0.23 3.32 1.04 -1.26 -3.02 113.70 116.82 2k77 s SER 130 Ca 0.44 -0.81 -0.09 0.00 0.48 0.00 0.00 55.95 55.97 2k77 s SER 130 Cb -0.15 -0.70 0.36 0.00 0.10 0.00 0.00 66.02 65.64 2k77 s SER 130 CO 0.20 -0.32 1.66 0.25 0.98 0.00 0.00 173.24 176.01 2k77 h LEU 131 N 1.55 -0.24 -0.10 2.42 6.46 -1.96 -1.37 115.31 122.07 2k77 h LEU 131 Ca -0.43 0.16 -0.10 0.00 -0.12 0.00 0.00 57.88 57.39 2k77 h LEU 131 Cb 1.25 0.28 0.00 0.00 -0.73 0.00 0.00 40.66 41.46 2k77 h LEU 131 CO 0.64 -0.12 -0.31 -1.13 -0.62 0.00 0.00 178.44 176.90 2k77 h ASN 132 N 0.14 0.45 -0.47 1.25 -0.73 -1.98 -1.70 115.58 112.55 2k77 h ASN 132 Ca 0.36 -0.60 -0.01 0.00 1.87 0.00 0.00 56.30 57.92 2k77 h ASN 132 Cb 0.61 -0.13 -0.02 0.00 0.27 0.00 0.00 38.32 39.04 2k77 h ASN 132 CO -0.56 0.98 0.26 0.11 -0.37 0.00 0.00 177.43 177.85 2k77 h LYS 133 N -0.04 0.65 -0.07 6.67 1.57 -1.90 -0.09 116.57 123.35 2k77 h LYS 133 Ca -0.01 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 133 Cb 0.93 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 33.11 2k77 h LYS 133 CO 0.07 0.51 -0.06 0.00 -0.57 0.00 0.00 179.45 179.40 2k77 h ALA 134 N 1.10 0.11 -0.95 3.86 0.00 -1.35 -2.43 119.26 119.60 2k77 h ALA 134 Ca 0.16 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 134 Cb 0.05 -0.02 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 2k77 h ALA 134 CO -0.03 -0.10 0.58 0.00 0.00 0.00 0.00 179.25 179.70 2k77 h ARG 135 N -0.24 1.30 -0.67 0.00 3.08 -1.21 -0.85 114.38 115.79 2k77 h ARG 135 Ca 0.01 -0.12 -0.04 0.00 0.07 0.00 0.00 59.98 59.91 2k77 h ARG 135 Cb 0.54 -0.27 -0.03 0.00 0.08 0.00 0.00 29.97 30.29 2k77 h ARG 135 CO 0.02 0.90 0.25 0.37 -1.07 0.00 0.00 179.97 180.44 2k77 h GLN 136 N 1.32 1.01 -0.41 0.04 5.75 -1.03 0.48 115.11 122.26 2k77 h GLN 136 Ca 0.34 -0.19 -0.10 0.00 -0.15 0.00 0.00 58.65 58.55 2k77 h GLN 136 Cb -0.06 -0.16 -0.01 0.00 1.07 0.00 0.00 27.48 28.32 2k77 h GLN 136 CO -0.06 0.85 -0.15 1.96 -2.65 0.00 0.00 178.83 178.78 2k77 h GLN 137 N 0.95 0.83 -0.29 1.69 1.08 -1.08 -2.24 115.11 116.05 2k77 h GLN 137 Ca 0.22 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 57.04 2k77 h GLN 137 Cb 0.23 -0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.61 2k77 h GLN 137 CO -0.02 0.97 0.04 0.28 -0.95 0.00 0.00 178.83 179.15 2k77 h VAL 138 N 0.65 1.24 0.00 -0.54 2.07 -0.97 -0.01 116.25 118.69 2k77 h VAL 138 Ca 0.10 -0.83 -0.04 0.00 0.82 0.00 0.00 66.70 66.75 2k77 h VAL 138 Cb 0.69 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 2k77 h VAL 138 CO 0.05 0.27 -0.17 -0.07 0.02 0.00 0.00 177.57 177.67 2k77 h LEU 139 N 0.31 0.00 0.01 2.57 3.38 -0.93 -1.91 115.31 118.74 2k77 h LEU 139 Ca 0.09 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 139 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 2k77 h LEU 139 CO 0.01 0.17 -0.00 1.56 0.09 0.00 0.00 178.44 180.26 2k77 h GLN 140 N 0.00 -0.01 0.00 1.13 4.20 -1.27 -3.40 115.11 115.75 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2k77 h GLN 140 CO 0.02 0.70 0.00 1.25 -0.67 0.00 0.00 178.83 180.13 2k77 h LEU 141 N -0.98 0.00 0.00 1.46 5.85 -0.75 0.44 115.31 121.33 2k77 h LEU 141 Ca -0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 2k77 h LEU 141 Cb 0.71 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.74 2k77 h LEU 141 CO 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 178.44 178.10 2k77 n LEU 142 N -2.93 0.00 0.00 2.25 -0.00 -0.74 -4.69 117.00 110.90 2k77 n LEU 142 Ca 0.01 0.42 0.00 0.00 -0.00 0.00 0.00 56.01 56.44 2k77 n LEU 142 Cb 0.29 -0.42 0.00 0.00 -0.00 0.00 0.00 43.42 43.30 2k77 n LEU 142 CO 0.26 -0.31 0.00 0.61 -0.00 0.00 0.00 177.39 177.95 2k77 n GLY 143 N -0.68 0.21 0.14 1.47 0.00 -1.16 -5.03 105.19 100.14 2k77 n GLY 143 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.06 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 0.00 1.61 0.02 -1.50 -3.52 113.55 110.16 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 0.55 0.00 -3.20 -1.14 0.00 0.00 176.83 173.04