#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 n MET 2 N 0.00 -1.49 0.08 0.03 3.85 -1.26 -4.68 117.12 113.65 2k77 n MET 2 Ca 0.00 0.98 -0.15 0.00 -1.00 0.00 0.00 57.70 57.53 2k77 n MET 2 Cb 0.00 -1.82 -0.14 0.00 -1.05 0.00 0.00 33.22 30.21 2k77 n MET 2 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 175.97 176.24 2k77 h PHE 3 N -0.69 0.40 -5.69 3.17 -5.15 -2.01 -3.49 116.94 103.49 2k77 h PHE 3 Ca 0.02 -0.30 -0.41 0.00 -0.20 0.00 0.00 57.97 57.08 2k77 h PHE 3 Cb 0.68 -0.02 0.10 0.00 0.22 0.00 0.00 35.95 36.93 2k77 h PHE 3 CO 0.00 1.28 -0.68 0.41 -2.00 0.00 0.00 178.31 177.32 2k77 n GLY 4 N 1.56 -0.54 2.95 6.09 0.00 -1.26 -5.00 105.19 108.99 2k77 n GLY 4 Ca -0.11 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 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 -6.26 0.27 0.01 1.61 3.52 -1.26 -5.09 118.95 111.74 2k77 s ARG 5 Ca 0.55 -0.29 0.00 0.00 -0.13 0.00 0.00 55.73 55.87 2k77 s ARG 5 Cb -0.25 -0.15 -0.04 0.00 -1.56 0.00 0.00 34.95 32.96 2k77 s ARG 5 CO 0.68 0.03 0.06 -0.06 -0.81 0.00 0.00 175.30 175.21 2k77 s PHE 6 N -0.53 3.22 0.87 5.12 0.40 -1.26 -0.59 117.98 125.21 2k77 s PHE 6 Ca -0.04 0.16 -0.11 0.00 -0.60 0.00 0.00 56.93 56.34 2k77 s PHE 6 Cb -0.04 -1.71 0.12 0.00 0.51 0.00 0.00 43.02 41.90 2k77 s PHE 6 CO -0.00 0.53 1.11 0.95 0.70 0.00 0.00 175.22 178.51 2k77 s THR 7 N -1.19 2.64 0.47 0.64 -4.23 -0.33 -4.70 115.64 108.93 2k77 s THR 7 Ca 0.23 0.21 0.12 0.00 -1.18 0.00 0.00 61.69 61.07 2k77 s THR 7 Cb -0.12 -2.47 0.26 0.00 1.34 0.00 0.00 72.50 71.52 2k77 s THR 7 CO 0.14 -0.27 2.11 -0.33 -0.54 0.00 0.00 174.62 175.72 2k77 h GLU 8 N -1.58 0.22 -0.34 3.99 3.07 -1.99 0.10 114.58 118.05 2k77 h GLU 8 Ca -0.45 -0.01 -0.15 0.00 -0.50 0.00 0.00 59.36 58.25 2k77 h GLU 8 Cb 1.26 -0.05 -0.00 0.00 -0.84 0.00 0.00 28.75 29.12 2k77 h GLU 8 CO 0.47 0.15 -0.38 0.00 -1.40 0.00 0.00 179.01 177.86 2k77 h ARG 9 N 0.22 0.85 -0.30 2.33 2.47 -1.96 -2.62 114.38 115.36 2k77 h ARG 9 Ca 0.06 -0.46 -0.09 0.00 -1.26 0.00 0.00 59.98 58.23 2k77 h ARG 9 Cb -0.01 0.02 -0.01 0.00 -1.65 0.00 0.00 29.97 28.33 2k77 h ARG 9 CO -0.01 1.11 -0.16 0.00 0.56 0.00 0.00 179.97 181.46 2k77 h ALA 10 N 0.73 0.43 -0.98 0.04 0.00 -1.59 -2.14 119.26 115.75 2k77 h ALA 10 Ca 0.05 -0.34 0.11 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 10 Cb 0.97 -0.10 -0.08 0.00 0.00 0.00 0.00 17.79 18.58 2k77 h ALA 10 CO 0.09 0.34 0.62 1.96 0.00 0.00 0.00 179.25 182.26 2k77 h GLN 11 N 0.40 0.95 -0.58 0.00 4.20 -0.92 -1.94 115.11 117.21 2k77 h GLN 11 Ca 0.07 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.65 2k77 h GLN 11 Cb 0.69 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 2k77 h GLN 11 CO 0.05 0.63 0.11 -0.22 -0.67 0.00 0.00 178.83 178.73 2k77 h LYS 12 N 0.98 0.96 -0.49 1.46 3.64 -1.06 -0.99 116.57 121.07 2k77 h LYS 12 Ca 0.48 -0.25 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 2k77 h LYS 12 Cb 0.46 -0.12 -0.02 0.00 -0.41 0.00 0.00 32.23 32.14 2k77 h LYS 12 CO -0.24 0.90 0.13 -0.39 -2.27 0.00 0.00 179.45 177.59 2k77 h VAL 13 N 0.86 1.21 -0.04 2.00 -1.51 -0.73 0.64 116.25 118.67 2k77 h VAL 13 Ca 0.18 -0.72 -0.17 0.00 -1.23 0.00 0.00 66.70 64.76 2k77 h VAL 13 Cb 0.40 0.69 -0.01 0.00 -2.13 0.00 0.00 31.29 30.24 2k77 h VAL 13 CO 0.01 0.27 -0.72 -0.07 -1.23 0.00 0.00 177.57 175.83 2k77 h LEU 14 N 0.71 0.28 -0.47 4.19 3.38 -1.21 0.24 115.31 122.44 2k77 h LEU 14 Ca 0.16 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 2k77 h LEU 14 Cb 0.24 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2k77 h LEU 14 CO -0.01 0.91 -0.26 0.00 0.09 0.00 0.00 178.44 179.17 2k77 h ALA 15 N 1.09 0.66 -0.18 1.53 0.00 -0.84 -3.04 119.26 118.47 2k77 h ALA 15 Ca -0.02 -0.41 -0.09 0.00 0.00 0.00 0.00 54.91 54.39 2k77 h ALA 15 Cb 1.27 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 2k77 h ALA 15 CO 0.11 0.68 -0.28 -0.07 0.00 0.00 0.00 179.25 179.69 2k77 h LEU 16 N 0.85 0.35 -1.39 0.00 3.38 -0.78 -2.63 115.31 115.10 2k77 h LEU 16 Ca 0.10 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2k77 h LEU 16 Cb 0.84 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.47 2k77 h LEU 16 CO 0.07 0.64 0.24 0.00 0.09 0.00 0.00 178.44 179.47 2k77 h ALA 17 N 1.39 1.53 -0.30 1.53 0.00 -0.88 0.96 119.26 123.49 2k77 h ALA 17 Ca 0.04 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 17 Cb 0.67 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 2k77 h ALA 17 CO 0.05 0.38 -0.16 0.37 0.00 0.00 0.00 179.25 179.89 2k77 h GLN 18 N 0.66 0.64 -0.68 0.00 4.15 -1.39 -0.85 115.11 117.64 2k77 h GLN 18 Ca 0.17 -0.29 -0.07 0.00 0.77 0.00 0.00 58.65 59.23 2k77 h GLN 18 Cb 0.06 -0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.70 2k77 h GLN 18 CO -0.02 0.88 0.14 1.49 -1.93 0.00 0.00 178.83 179.38 2k77 h GLU 19 N 0.40 1.10 -0.19 1.69 4.81 -1.08 -1.43 114.58 119.88 2k77 h GLU 19 Ca 0.07 -0.27 -0.17 0.00 -0.13 0.00 0.00 59.36 58.85 2k77 h GLU 19 Cb 0.69 -0.14 -0.00 0.00 0.63 0.00 0.00 28.75 29.93 2k77 h GLU 19 CO 0.05 0.98 -0.58 0.93 -0.73 0.00 0.00 179.01 179.66 2k77 h GLU 20 N 1.03 0.60 -0.06 1.92 4.39 -0.85 0.22 114.58 121.83 2k77 h GLU 20 Ca 0.21 -0.39 0.02 0.00 0.34 0.00 0.00 59.36 59.54 2k77 h GLU 20 Cb 0.40 0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 2k77 h GLU 20 CO 0.01 1.01 -0.07 0.00 -1.16 0.00 0.00 179.01 178.80 2k77 h ALA 21 N 0.91 -0.02 -0.16 3.43 0.00 -1.00 -1.44 119.26 120.98 2k77 h ALA 21 Ca 0.00 0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 21 Cb 1.14 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 2k77 h ALA 21 CO 0.11 -0.54 -0.36 -0.07 0.00 0.00 0.00 179.25 178.39 2k77 h LEU 22 N -0.09 0.36 -0.55 0.00 3.38 -1.16 0.12 115.31 117.37 2k77 h LEU 22 Ca 0.05 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 22 Cb 0.16 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 2k77 h LEU 22 CO -0.11 0.70 0.36 -0.09 0.09 0.00 0.00 178.44 179.38 2k77 h ARG 23 N 0.30 0.71 -0.04 1.13 2.43 -0.84 -2.91 114.38 115.16 2k77 h ARG 23 Ca 0.03 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k77 h ARG 23 Cb 0.77 -0.16 0.00 0.00 -0.42 0.00 0.00 29.97 30.16 2k77 h ARG 23 CO 0.06 0.47 0.00 1.28 -1.51 0.00 0.00 179.97 180.27 2k77 n LEU 24 N -4.71 0.60 -0.60 3.80 4.77 -0.55 -4.93 117.00 115.38 2k77 n LEU 24 Ca 0.04 -0.23 -0.06 0.00 -0.03 0.00 0.00 56.01 55.72 2k77 n LEU 24 Cb 0.03 -0.02 -0.02 0.00 -2.33 0.00 0.00 43.42 41.08 2k77 n LEU 24 CO 0.35 0.11 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 25 N 0.99 0.53 3.84 -0.72 0.00 -0.78 -0.98 105.19 108.07 2k77 n GLY 25 Ca 0.18 -0.70 -0.38 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 -2.27 3.72 -2.00 1.61 3.76 0.35 -3.41 115.29 117.04 2k77 s HIS 26 Ca 0.00 0.98 0.17 0.00 -0.15 0.00 0.00 55.06 56.06 2k77 s HIS 26 Cb 0.00 -2.28 0.48 0.00 1.11 0.00 0.00 32.58 31.90 2k77 s HIS 26 CO 0.00 0.63 1.40 0.27 -0.85 0.00 0.00 174.74 176.19 2k77 n ASN 27 N 1.72 2.92 -4.00 1.40 0.23 -1.00 -3.57 115.26 112.97 2k77 n ASN 27 Ca -0.13 -2.00 -0.08 0.00 -0.53 0.00 0.00 54.58 51.83 2k77 n ASN 27 Cb 0.52 -0.36 -0.10 0.00 -2.08 0.00 0.00 39.78 37.76 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 -0.93 0.00 0.00 177.26 176.87 2k77 s ASN 28 N -1.00 0.31 -0.30 0.53 2.20 -1.26 -3.07 114.94 112.35 2k77 s ASN 28 Ca 0.37 -0.73 -0.13 0.00 -0.94 0.00 0.00 52.86 51.43 2k77 s ASN 28 Cb 0.19 0.20 -0.03 0.00 -2.00 0.00 0.00 41.25 39.61 2k77 s ASN 28 CO 0.25 -0.53 0.28 -0.63 -2.94 0.00 0.00 177.10 173.54 2k77 s ILE 29 N -3.03 5.24 0.58 0.54 1.01 0.22 -4.81 121.20 120.94 2k77 s ILE 29 Ca -0.01 0.20 0.09 0.00 0.00 0.00 0.00 60.65 60.92 2k77 s ILE 29 Cb 0.01 -3.67 0.09 0.00 0.01 0.00 0.00 42.46 38.90 2k77 s ILE 29 CO -0.07 0.11 0.80 -0.83 0.00 0.00 0.00 174.94 174.95 2k77 s GLY 30 N 1.72 1.74 0.26 6.18 0.00 -1.26 -1.56 107.32 114.40 2k77 s GLY 30 Ca 0.10 -2.09 -0.02 0.00 0.00 0.00 0.00 44.72 42.71 2k77 s GLY 30 CO 0.11 -1.63 1.85 -0.91 0.00 0.00 0.00 173.10 172.51 2k77 h THR 31 N 0.14 1.00 -0.68 0.90 1.35 -1.93 -1.81 112.91 111.89 2k77 h THR 31 Ca -0.31 -0.35 0.15 0.00 -0.55 0.00 0.00 66.41 65.35 2k77 h THR 31 Cb 1.29 -0.11 -0.11 0.00 -1.73 0.00 0.00 68.15 67.49 2k77 h THR 31 CO 0.41 0.19 0.06 1.05 -0.25 0.00 0.00 175.52 176.97 2k77 h GLU 32 N 1.01 0.16 -0.02 4.72 9.09 -1.94 -0.69 114.58 126.92 2k77 h GLU 32 Ca 0.44 -0.01 -0.17 0.00 0.05 0.00 0.00 59.36 59.66 2k77 h GLU 32 Cb 0.30 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.35 2k77 h GLU 32 CO -0.21 0.10 -0.77 0.45 0.05 0.00 0.00 179.01 178.63 2k77 h HIS 33 N 0.16 0.24 -0.44 2.06 3.86 -1.69 -0.74 115.15 118.59 2k77 h HIS 33 Ca 0.37 -0.12 -0.09 0.00 -1.16 0.00 0.00 60.37 59.37 2k77 h HIS 33 Cb 0.61 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.04 2k77 h HIS 33 CO -0.34 0.87 -0.06 0.82 0.86 0.00 0.00 177.93 180.08 2k77 h ILE 34 N 0.11 1.27 -0.43 2.45 2.04 -1.06 0.89 117.51 122.77 2k77 h ILE 34 Ca -0.03 -1.14 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 2k77 h ILE 34 Cb 1.35 1.11 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 2k77 h ILE 34 CO 0.12 0.39 0.05 0.25 0.00 0.00 0.00 178.15 178.96 2k77 h LEU 35 N 0.65 0.70 -0.86 1.44 5.85 -1.02 -1.01 115.31 121.07 2k77 h LEU 35 Ca 0.12 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.46 2k77 h LEU 35 Cb 0.58 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.41 2k77 h LEU 35 CO 0.03 0.80 -0.26 0.25 -0.34 0.00 0.00 178.44 178.92 2k77 h LEU 36 N 0.58 0.56 -0.91 2.25 5.85 -1.09 -2.55 115.31 120.00 2k77 h LEU 36 Ca 0.13 -0.20 -0.07 0.00 0.84 0.00 0.00 57.88 58.58 2k77 h LEU 36 Cb 0.41 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.26 2k77 h LEU 36 CO 0.01 0.81 0.07 1.23 -0.34 0.00 0.00 178.44 180.22 2k77 h GLY 37 N 1.02 0.94 0.72 3.75 0.00 -0.72 -2.13 103.07 106.65 2k77 h GLY 37 Ca 0.07 -0.60 0.01 0.00 0.00 0.00 0.00 47.33 46.81 2k77 h GLY 37 CO 0.05 0.56 -0.20 1.41 0.00 0.00 0.00 176.54 178.36 2k77 h LEU 38 N 0.83 -0.54 -1.34 3.11 3.38 -0.83 -1.89 115.31 118.03 2k77 h LEU 38 Ca 0.17 0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.16 2k77 h LEU 38 Cb 0.40 0.19 -0.00 0.00 0.09 0.00 0.00 40.66 41.34 2k77 h LEU 38 CO 0.01 -0.29 -0.15 -0.37 0.09 0.00 0.00 178.44 177.73 2k77 h VAL 39 N -0.41 0.41 0.00 1.22 -1.51 -1.44 -1.95 116.25 112.57 2k77 h VAL 39 Ca 0.01 -0.87 -0.01 0.00 -1.23 0.00 0.00 66.70 64.60 2k77 h VAL 39 Cb 0.40 1.63 -0.00 0.00 -2.13 0.00 0.00 31.29 31.19 2k77 h VAL 39 CO -0.07 0.15 -0.04 0.03 -1.23 0.00 0.00 177.57 176.40 2k77 h ARG 40 N 0.00 0.00 0.09 5.19 2.47 -1.18 -3.11 114.38 117.83 2k77 h ARG 40 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2k77 h ARG 40 Cb 0.62 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2k77 h ARG 40 CO 0.02 0.04 -0.04 1.49 0.56 0.00 0.00 179.97 182.04 2k77 h GLU 41 N 0.00 -0.11 0.00 0.04 4.22 -0.58 -3.48 114.58 114.67 2k77 h GLU 41 Ca -0.00 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2k77 h GLU 41 Cb 0.69 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.97 2k77 h GLU 41 CO 0.01 0.43 0.00 0.41 -2.18 0.00 0.00 179.01 177.67 2k77 n GLY 42 N 0.74 2.37 0.04 1.92 0.00 -0.98 -4.66 105.19 104.61 2k77 n GLY 42 Ca -0.08 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.36 1.49 -1.02 1.61 1.02 -1.26 -4.41 120.64 116.71 2k77 n GLU 43 Ca 0.00 -0.04 -0.34 0.00 -0.02 0.00 0.00 57.16 56.76 2k77 n GLU 43 Cb 0.00 -1.31 0.12 0.00 -0.02 0.00 0.00 31.44 30.23 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 2.10 -0.75 0.27 0.62 0.00 -1.26 -4.61 105.19 101.55 2k77 n GLY 44 Ca -0.14 -0.55 0.03 0.00 0.00 0.00 0.00 46.02 45.36 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 -1.06 0.74 -0.47 -0.61 1.08 -1.95 -0.41 117.51 114.84 2k77 h ILE 45 Ca -0.45 -0.17 -0.07 0.00 -0.39 0.00 0.00 64.86 63.78 2k77 h ILE 45 Cb 1.30 0.20 -0.02 0.00 -3.07 0.00 0.00 36.82 35.23 2k77 h ILE 45 CO 0.42 0.09 0.03 0.00 -0.69 0.00 0.00 178.15 178.00 2k77 h ALA 46 N 1.49 0.63 -0.41 1.87 0.00 -1.89 0.75 119.26 121.69 2k77 h ALA 46 Ca 0.38 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.94 2k77 h ALA 46 Cb 0.50 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.10 2k77 h ALA 46 CO -0.34 0.40 -0.09 0.00 0.00 0.00 0.00 179.25 179.22 2k77 h ALA 47 N 0.93 1.08 -0.19 0.00 0.00 -1.60 -0.17 119.26 119.32 2k77 h ALA 47 Ca 0.14 -0.30 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 47 Cb 0.46 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2k77 h ALA 47 CO 0.02 0.57 -0.49 -0.22 0.00 0.00 0.00 179.25 179.13 2k77 h LYS 48 N 0.65 0.49 -0.53 0.00 1.63 -0.98 -1.71 116.57 116.13 2k77 h LYS 48 Ca 0.12 -0.28 -0.06 0.00 -0.85 0.00 0.00 60.65 59.57 2k77 h LYS 48 Cb 0.54 0.02 -0.02 0.00 -0.60 0.00 0.00 32.23 32.17 2k77 h LYS 48 CO 0.03 0.87 0.10 0.00 -3.45 0.00 0.00 179.45 177.00 2k77 h ALA 49 N 1.08 0.71 -0.36 5.00 0.00 -0.54 0.33 119.26 125.48 2k77 h ALA 49 Ca 0.02 -0.24 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2k77 h ALA 49 Cb 1.00 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2k77 h ALA 49 CO 0.09 0.44 0.21 -0.07 0.00 0.00 0.00 179.25 179.92 2k77 h LEU 50 N 0.77 0.43 -1.11 0.00 3.38 -0.95 -1.44 115.31 116.38 2k77 h LEU 50 Ca 0.16 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 50 Cb 0.39 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 2k77 h LEU 50 CO 0.01 0.37 0.39 1.56 0.09 0.00 0.00 178.44 180.86 2k77 h GLN 51 N 0.46 1.01 -0.21 1.13 4.20 -1.20 -1.77 115.11 118.73 2k77 h GLN 51 Ca 0.13 -0.11 -0.07 0.00 0.06 0.00 0.00 58.65 58.66 2k77 h GLN 51 Cb 0.02 -0.20 -0.01 0.00 0.30 0.00 0.00 27.48 27.58 2k77 h GLN 51 CO -0.02 0.75 -0.16 0.00 -0.67 0.00 0.00 178.83 178.72 2k77 h ALA 52 N 1.41 1.33 0.00 3.87 0.00 -0.59 -2.33 119.26 122.95 2k77 h ALA 52 Ca 0.26 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2k77 h ALA 52 Cb 0.03 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.71 2k77 h ALA 52 CO -0.04 0.45 0.00 1.28 0.00 0.00 0.00 179.25 180.94 2k77 n LEU 53 N -4.21 0.00 0.00 0.00 4.77 -0.57 -4.87 117.00 112.12 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 0.32 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 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 0.34 0.63 0.00 -0.72 0.00 -0.88 -5.01 105.19 99.56 2k77 n GLY 54 Ca 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 0.00 0.99 4.77 -0.70 -5.00 117.00 117.06 2k77 n LEU 55 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2k77 n LEU 55 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2k77 n LEU 55 CO 0.00 -0.34 0.00 0.61 -1.33 0.00 0.00 177.39 176.33 2k77 n GLY 56 N 5.00 0.43 0.19 -0.72 0.00 -1.26 -4.25 105.19 104.58 2k77 n GLY 56 Ca 0.00 -0.99 -0.07 0.00 0.00 0.00 0.00 46.02 44.96 2k77 n GLY 56 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2k77 h SER 57 N 0.00 0.49 -0.52 1.61 4.64 -1.97 -1.52 113.55 116.27 2k77 h SER 57 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 2k77 h SER 57 Cb 0.00 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 61.95 2k77 h SER 57 CO 0.00 0.35 0.13 -0.08 -0.87 0.00 0.00 176.83 176.36 2k77 h GLU 58 N 0.59 0.84 -0.46 4.77 4.81 -1.96 0.24 114.58 123.40 2k77 h GLU 58 Ca 0.17 -0.20 0.03 0.00 -0.13 0.00 0.00 59.36 59.23 2k77 h GLU 58 Cb -0.04 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.20 2k77 h GLU 58 CO -0.05 0.80 0.26 0.87 -0.73 0.00 0.00 179.01 180.15 2k77 h LYS 59 N 0.73 0.50 0.08 1.92 1.79 -1.84 -1.94 116.57 117.80 2k77 h LYS 59 Ca 0.16 -0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.48 2k77 h LYS 59 Cb 0.34 -0.11 0.01 0.00 -1.58 0.00 0.00 32.23 30.89 2k77 h LYS 59 CO 0.00 0.33 -0.55 0.82 -1.08 0.00 0.00 179.45 178.97 2k77 h ILE 60 N 0.51 1.57 -0.89 1.86 2.04 -1.25 -3.32 117.51 118.04 2k77 h ILE 60 Ca 0.19 -2.37 0.05 0.00 1.00 0.00 0.00 64.86 63.73 2k77 h ILE 60 Cb 0.06 3.12 -0.05 0.00 -0.74 0.00 0.00 36.82 39.21 2k77 h ILE 60 CO -0.11 0.66 0.58 -0.61 0.00 0.00 0.00 178.15 178.67 2k77 h GLN 61 N -0.49 1.03 -0.63 2.37 4.15 -0.91 -0.94 115.11 119.69 2k77 h GLN 61 Ca -0.09 -0.06 0.02 0.00 0.77 0.00 0.00 58.65 59.29 2k77 h GLN 61 Cb 1.39 -0.23 -0.04 0.00 0.21 0.00 0.00 27.48 28.81 2k77 h GLN 61 CO 0.10 0.68 0.39 -0.22 -1.93 0.00 0.00 178.83 177.86 2k77 h LYS 62 N 1.06 0.75 0.00 1.69 3.64 -1.47 -0.16 116.57 122.08 2k77 h LYS 62 Ca 0.36 -0.05 -0.10 0.00 -1.27 0.00 0.00 60.65 59.60 2k77 h LYS 62 Cb 0.09 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.73 2k77 h LYS 62 CO -0.12 0.50 -0.50 0.93 -2.27 0.00 0.00 179.45 177.99 2k77 h GLU 63 N 0.77 0.00 0.23 1.90 4.39 -1.51 -2.56 114.58 117.81 2k77 h GLU 63 Ca 0.25 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.94 2k77 h GLU 63 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2k77 h GLU 63 CO -0.09 0.44 -0.11 0.28 -1.16 0.00 0.00 179.01 178.37 2k77 h VAL 64 N 0.00 0.70 0.00 3.13 2.07 -1.01 -3.34 116.25 117.80 2k77 h VAL 64 Ca -0.01 -0.93 -0.05 0.00 0.82 0.00 0.00 66.70 66.53 2k77 h VAL 64 Cb 1.35 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.24 2k77 h VAL 64 CO 0.06 0.16 -0.24 -0.33 0.02 0.00 0.00 177.57 177.25 2k77 h GLU 65 N -0.88 0.00 0.00 1.57 5.08 -1.09 -0.89 114.58 118.37 2k77 h GLU 65 Ca -0.03 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 2k77 h GLU 65 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2k77 h GLU 65 CO 0.05 0.24 0.00 0.66 -1.00 0.00 0.00 179.01 178.96 2k77 h SER 66 N 0.00 0.00 0.00 1.42 4.64 -1.61 -1.83 113.55 116.17 2k77 h SER 66 Ca -0.00 0.00 -0.36 0.00 -0.47 0.00 0.00 61.79 60.96 2k77 h SER 66 Cb 0.67 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.70 2k77 h SER 66 CO 0.03 0.00 -2.29 0.18 -0.87 0.00 0.00 176.83 173.88 2k77 n LEU 67 N -2.47 2.53 -0.59 5.97 4.77 -0.61 -4.79 117.00 121.82 2k77 n LEU 67 Ca 0.01 0.02 0.05 0.00 -0.03 0.00 0.00 56.01 56.07 2k77 n LEU 67 Cb 0.23 -0.75 0.13 0.00 -2.33 0.00 0.00 43.42 40.70 2k77 n LEU 67 CO 0.21 0.74 0.60 2.30 -1.33 0.00 0.00 177.39 179.91 2k77 n ILE 68 N -3.47 0.87 -1.72 -0.08 -5.35 -0.44 -5.07 119.36 104.10 2k77 n ILE 68 Ca -0.42 -0.94 -0.42 0.00 -0.27 0.00 0.00 62.75 60.70 2k77 n ILE 68 Cb 0.89 0.59 -0.01 0.00 -1.74 0.00 0.00 39.64 39.37 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 0.49 0.91 3.34 3.28 0.00 -0.69 -3.92 105.19 108.60 2k77 n GLY 69 Ca 0.10 0.36 -0.18 0.00 0.00 0.00 0.00 46.02 46.31 2k77 n GLY 69 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2k77 n ARG 70 N 0.99 -1.76 -0.81 1.61 0.00 -1.23 -5.01 116.66 110.45 2k77 n ARG 70 Ca 0.05 1.40 -0.18 0.00 -0.00 0.00 0.00 57.85 59.12 2k77 n ARG 70 Cb 0.36 -3.85 0.15 0.00 0.00 0.00 0.00 32.46 29.12 2k77 n ARG 70 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k77 n GLY 71 N -1.04 -2.24 3.72 5.14 0.00 -0.15 -5.00 105.19 105.62 2k77 n GLY 71 Ca -0.09 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 43.97 2k77 n GLY 71 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2k77 s GLN 72 N -4.61 4.54 -0.14 1.61 0.00 -1.22 -4.60 119.66 115.25 2k77 s GLN 72 Ca 0.44 1.55 -0.01 0.00 -0.00 0.00 0.00 55.36 57.35 2k77 s GLN 72 Cb -0.03 -3.40 0.03 0.00 0.00 0.00 0.00 33.01 29.61 2k77 s GLN 72 CO 0.33 -0.07 -0.05 -2.00 0.00 0.00 0.00 175.29 173.50 2k77 s GLU 73 N 0.77 1.38 0.00 9.60 2.12 -1.24 -2.38 118.70 128.96 2k77 s GLU 73 Ca 0.53 -0.36 0.00 0.00 0.36 0.00 0.00 54.97 55.50 2k77 s GLU 73 Cb -0.25 -1.77 0.00 0.00 0.26 0.00 0.00 34.13 32.37 2k77 s GLU 73 CO 0.29 -0.37 0.00 -1.33 -0.54 0.00 0.00 175.26 173.31 2k77 n MET 74 N 4.93 3.20 -3.50 4.30 2.81 -1.26 -5.02 117.12 122.58 2k77 n MET 74 Ca -0.12 0.00 -0.12 0.00 -1.81 0.00 0.00 57.70 55.65 2k77 n MET 74 Cb 0.49 -0.68 -0.03 0.00 -0.71 0.00 0.00 33.22 32.28 2k77 n MET 74 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2k77 s SER 75 N -0.99 -0.46 0.29 7.83 0.15 -1.26 -5.04 113.70 114.22 2k77 s SER 75 Ca 0.00 -0.04 0.24 0.00 0.70 0.00 0.00 55.95 56.85 2k77 s SER 75 Cb 0.00 0.55 0.38 0.00 -1.71 0.00 0.00 66.02 65.24 2k77 s SER 75 CO 0.00 -0.90 1.49 -0.61 1.20 0.00 0.00 173.24 174.43 2k77 h GLN 76 N 2.23 0.00 -6.21 5.44 -0.00 -1.96 -3.41 115.11 111.20 2k77 h GLN 76 Ca -0.33 0.00 -0.56 0.00 -0.00 0.00 0.00 58.65 57.76 2k77 h GLN 76 Cb 1.28 0.00 -0.04 0.00 0.00 0.00 0.00 27.48 28.71 2k77 h GLN 76 CO 0.41 0.00 0.54 0.99 0.00 0.00 0.00 178.83 180.77 2k77 s THR 77 N -3.21 4.80 0.41 2.39 2.01 -1.26 -5.05 115.64 115.73 2k77 s THR 77 Ca 0.06 1.99 -0.14 0.00 0.31 0.00 0.00 61.69 63.91 2k77 s THR 77 Cb 0.09 -4.29 -0.08 0.00 0.01 0.00 0.00 72.50 68.23 2k77 s THR 77 CO 0.69 0.01 0.82 -0.63 -0.69 0.00 0.00 174.62 174.82 2k77 s ILE 78 N 2.03 4.68 0.07 1.82 1.09 -1.26 -4.83 121.20 124.79 2k77 s ILE 78 Ca 0.47 0.89 0.01 0.00 -1.10 0.00 0.00 60.65 60.92 2k77 s ILE 78 Cb -0.18 -3.69 -0.04 0.00 -1.06 0.00 0.00 42.46 37.49 2k77 s ILE 78 CO 0.17 -0.47 -0.06 -2.28 -0.10 0.00 0.00 174.94 172.21 2k77 s HIS 79 N -2.33 0.68 -0.12 3.97 5.65 -1.17 -5.00 115.29 116.97 2k77 s HIS 79 Ca 0.54 -0.82 -0.14 0.00 0.25 0.00 0.00 55.06 54.90 2k77 s HIS 79 Cb -0.10 -0.42 -0.05 0.00 -1.18 0.00 0.00 32.58 30.83 2k77 s HIS 79 CO 0.27 -0.20 0.31 0.71 -0.65 0.00 0.00 174.74 175.18 2k77 s TYR 80 N -2.98 3.54 0.89 3.88 1.51 -1.26 -0.61 117.35 122.31 2k77 s TYR 80 Ca 0.03 0.70 -0.11 0.00 -1.01 0.00 0.00 57.07 56.68 2k77 s TYR 80 Cb 0.01 -2.30 0.13 0.00 -0.11 0.00 0.00 41.96 39.69 2k77 s TYR 80 CO -0.05 0.38 1.11 0.95 -1.11 0.00 0.00 175.55 176.84 2k77 s THR 81 N -0.03 2.54 0.43 -0.71 -4.23 -0.60 -4.72 115.64 108.31 2k77 s THR 81 Ca 0.19 0.17 0.15 0.00 -1.18 0.00 0.00 61.69 61.02 2k77 s THR 81 Cb -0.14 -2.40 0.34 0.00 1.34 0.00 0.00 72.50 71.64 2k77 s THR 81 CO 0.06 -0.23 1.95 -0.65 -0.54 0.00 0.00 174.62 175.22 2k77 h PRO 82 N -1.66 0.40 0.05 3.99 0.11 -1.99 0.57 132.00 133.47 2k77 h PRO 82 Ca -0.45 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 2k77 h PRO 82 Cb 1.26 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.28 2k77 h PRO 82 CO 0.47 0.26 -1.05 0.00 -0.21 0.00 0.00 178.00 177.47 2k77 h ARG 83 N 0.41 0.26 -0.54 1.05 3.08 -1.95 -1.28 114.38 115.41 2k77 h ARG 83 Ca 0.32 -0.35 -0.12 0.00 0.07 0.00 0.00 59.98 59.90 2k77 h ARG 83 Cb 0.69 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.84 2k77 h ARG 83 CO -0.09 1.10 -0.13 0.00 -1.07 0.00 0.00 179.97 179.78 2k77 h ALA 84 N 0.76 0.76 -0.54 0.04 0.00 -1.64 0.10 119.26 118.74 2k77 h ALA 84 Ca -0.09 -0.36 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2k77 h ALA 84 Cb 1.73 -0.19 -0.04 0.00 0.00 0.00 0.00 17.79 19.29 2k77 h ALA 84 CO 0.17 0.67 0.32 -0.22 0.00 0.00 0.00 179.25 180.19 2k77 h LYS 85 N 0.91 0.62 -0.67 0.00 3.64 -0.93 0.08 116.57 120.22 2k77 h LYS 85 Ca 0.14 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 85 Cb 0.70 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2k77 h LYS 85 CO 0.05 0.41 0.29 -0.22 -2.27 0.00 0.00 179.45 177.71 2k77 h LYS 86 N 0.64 0.99 -0.30 1.90 3.64 -1.05 -1.33 116.57 121.05 2k77 h LYS 86 Ca 0.22 -0.17 0.02 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 86 Cb 0.02 -0.17 -0.02 0.00 -0.41 0.00 0.00 32.23 31.65 2k77 h LYS 86 CO -0.10 0.81 0.15 0.28 -2.27 0.00 0.00 179.45 178.32 2k77 h VAL 87 N 0.94 1.00 -0.63 2.00 2.07 -0.70 -0.36 116.25 120.57 2k77 h VAL 87 Ca 0.23 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 2k77 h VAL 87 Cb 0.17 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.56 2k77 h VAL 87 CO -0.02 0.06 0.39 0.40 0.02 0.00 0.00 177.57 178.42 2k77 h ILE 88 N 0.32 1.18 -0.40 4.57 1.08 -0.64 0.20 117.51 123.82 2k77 h ILE 88 Ca 0.12 -0.37 -0.12 0.00 -0.39 0.00 0.00 64.86 64.10 2k77 h ILE 88 Cb 0.03 0.30 -0.01 0.00 -3.07 0.00 0.00 36.82 34.07 2k77 h ILE 88 CO -0.08 0.18 -0.23 -0.33 -0.69 0.00 0.00 178.15 177.00 2k77 h GLU 89 N 0.85 0.81 -0.08 2.37 5.08 -1.14 -2.63 114.58 119.84 2k77 h GLU 89 Ca 0.23 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.15 2k77 h GLU 89 Cb -0.05 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 2k77 h GLU 89 CO -0.04 0.96 -0.39 -0.07 -1.00 0.00 0.00 179.01 178.47 2k77 h LEU 90 N 0.71 0.17 -0.27 1.33 3.38 -0.69 -1.68 115.31 118.25 2k77 h LEU 90 Ca 0.09 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 90 Cb 0.76 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.45 2k77 h LEU 90 CO 0.06 0.55 0.03 0.28 0.09 0.00 0.00 178.44 179.45 2k77 h SER 91 N 0.14 0.44 0.27 -0.43 0.02 -0.36 0.12 113.55 113.76 2k77 h SER 91 Ca 0.01 -0.27 -0.11 0.00 -0.84 0.00 0.00 61.79 60.59 2k77 h SER 91 Cb 0.75 -0.12 -0.01 0.00 0.14 0.00 0.00 62.40 63.16 2k77 h SER 91 CO 0.06 0.60 -0.42 0.00 -1.14 0.00 0.00 176.83 175.93 2k77 h MET 92 N 0.26 0.20 -0.48 3.45 -0.00 -1.47 -2.10 114.93 114.79 2k77 h MET 92 Ca 0.08 -0.10 -0.07 0.00 -0.00 0.00 0.00 59.70 59.61 2k77 h MET 92 Cb 0.36 -0.00 -0.02 0.00 -0.00 0.00 0.00 31.60 31.94 2k77 h MET 92 CO 0.01 0.60 0.02 0.22 -0.00 0.00 0.00 176.91 177.75 2k77 h ASP 93 N 0.17 0.82 -0.88 -0.10 3.58 -0.95 0.21 116.42 119.27 2k77 h ASP 93 Ca 0.01 -0.30 -0.02 0.00 0.42 0.00 0.00 57.03 57.15 2k77 h ASP 93 Cb 0.82 -0.22 -0.04 0.00 1.72 0.00 0.00 39.33 41.61 2k77 h ASP 93 CO 0.06 0.92 0.47 -0.33 -2.88 0.00 0.00 179.24 177.48 2k77 h GLU 94 N 0.70 1.24 -0.41 0.28 4.39 -0.94 -0.52 114.58 119.31 2k77 h GLU 94 Ca 0.14 -0.16 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2k77 h GLU 94 Cb 0.49 -0.24 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 2k77 h GLU 94 CO 0.02 0.92 -0.06 0.00 -1.16 0.00 0.00 179.01 178.73 2k77 h ALA 95 N 1.25 1.12 -0.46 3.43 0.00 -1.10 -2.11 119.26 121.40 2k77 h ALA 95 Ca 0.31 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 95 Cb 0.05 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k77 h ALA 95 CO -0.05 0.55 -0.20 0.00 0.00 0.00 0.00 179.25 179.55 2k77 h ARG 96 N 0.64 0.94 -0.51 0.00 3.08 -0.66 -0.66 114.38 117.21 2k77 h ARG 96 Ca 0.12 -0.41 -0.03 0.00 0.07 0.00 0.00 59.98 59.73 2k77 h ARG 96 Cb 0.49 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.49 2k77 h ARG 96 CO 0.03 1.07 0.18 0.87 -1.07 0.00 0.00 179.97 181.04 2k77 h LYS 97 N 0.79 0.75 0.00 0.04 6.56 -0.89 -2.55 116.57 121.27 2k77 h LYS 97 Ca 0.10 -0.12 0.00 0.00 -1.06 0.00 0.00 60.65 59.57 2k77 h LYS 97 Cb 0.78 -0.13 0.00 0.00 -0.57 0.00 0.00 32.23 32.31 2k77 h LYS 97 CO 0.06 0.64 -0.47 1.28 -2.06 0.00 0.00 179.45 178.90 2k77 n LEU 98 N -4.33 0.71 -1.94 2.94 7.99 -0.81 -4.99 117.00 116.58 2k77 n LEU 98 Ca 0.04 0.30 -0.14 0.00 -0.01 0.00 0.00 56.01 56.21 2k77 n LEU 98 Cb 0.18 -0.22 0.02 0.00 -0.11 0.00 0.00 43.42 43.29 2k77 n LEU 98 CO 0.38 -0.08 0.00 0.61 -1.51 0.00 0.00 177.39 176.80 2k77 n GLY 99 N 1.34 -0.05 0.00 -0.72 0.00 -0.35 -4.94 105.19 100.47 2k77 n GLY 99 Ca 0.04 -0.23 0.11 0.00 0.00 0.00 0.00 46.02 45.94 2k77 n GLY 99 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 2k77 n HIS 100 N -4.02 0.00 -0.51 1.61 -0.00 -0.63 -4.90 115.22 106.77 2k77 n HIS 100 Ca -0.07 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.11 2k77 n HIS 100 Cb 0.57 -0.29 0.00 0.00 -0.12 0.00 0.00 29.99 30.15 2k77 n HIS 100 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 2k77 n SER 101 N -1.29 0.00 -3.49 0.26 7.64 -1.26 -4.87 113.62 110.60 2k77 n SER 101 Ca 0.11 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.87 2k77 n SER 101 Cb 0.18 -2.14 -0.03 0.00 -1.01 0.00 0.00 64.21 61.21 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 -1.34 -0.48 -0.57 1.43 -0.85 -1.26 -4.79 117.35 109.49 2k77 s TYR 102 Ca 0.00 0.52 -0.28 0.00 -0.52 0.00 0.00 57.07 56.79 2k77 s TYR 102 Cb 0.00 0.50 0.03 0.00 0.38 0.00 0.00 41.96 42.87 2k77 s TYR 102 CO 0.00 -0.62 1.21 0.08 -1.52 0.00 0.00 175.55 174.71 2k77 s VAL 103 N -2.54 4.00 0.85 -3.49 1.01 0.24 -4.88 120.40 115.59 2k77 s VAL 103 Ca -0.01 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.75 2k77 s VAL 103 Cb -0.01 -4.70 0.13 0.00 0.00 0.00 0.00 36.38 31.80 2k77 s VAL 103 CO -0.04 -1.31 1.21 -0.83 0.00 0.00 0.00 175.10 174.13 2k77 s GLY 104 N 3.07 1.68 0.29 4.51 0.00 -1.26 -1.19 107.32 114.42 2k77 s GLY 104 Ca 0.44 -0.94 0.01 0.00 0.00 0.00 0.00 44.72 44.23 2k77 s GLY 104 CO 0.26 -0.35 1.87 -0.91 0.00 0.00 0.00 173.10 173.97 2k77 h THR 105 N -1.21 0.99 -0.59 0.90 1.35 -1.93 -1.87 112.91 110.56 2k77 h THR 105 Ca -0.45 -0.35 0.10 0.00 -0.55 0.00 0.00 66.41 65.16 2k77 h THR 105 Cb 1.29 -0.12 -0.11 0.00 -1.73 0.00 0.00 68.15 67.48 2k77 h THR 105 CO 0.53 0.19 -0.40 1.05 -0.25 0.00 0.00 175.52 176.64 2k77 h GLU 106 N 1.02 -0.19 0.00 4.72 9.09 -1.94 -1.78 114.58 125.51 2k77 h GLU 106 Ca 0.45 0.01 -0.09 0.00 0.05 0.00 0.00 59.36 59.78 2k77 h GLU 106 Cb 0.35 0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 2k77 h GLU 106 CO -0.20 -0.13 -0.43 0.45 0.05 0.00 0.00 179.01 178.74 2k77 h HIS 107 N -0.20 0.00 -0.24 2.06 3.86 -1.70 -1.51 115.15 117.41 2k77 h HIS 107 Ca 0.20 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 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 -0.69 0.43 0.13 0.82 0.86 0.00 0.00 177.93 179.49 2k77 h ILE 108 N 0.00 1.12 -0.51 2.45 2.04 -0.94 -0.59 117.51 121.09 2k77 h ILE 108 Ca -0.00 -0.34 -0.02 0.00 1.00 0.00 0.00 64.86 65.49 2k77 h ILE 108 Cb 1.08 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.04 2k77 h ILE 108 CO 0.06 0.12 0.24 0.25 0.00 0.00 0.00 178.15 178.82 2k77 h LEU 109 N 0.28 0.67 -1.08 1.44 5.85 -1.03 -1.31 115.31 120.14 2k77 h LEU 109 Ca 0.09 -0.13 0.06 0.00 0.84 0.00 0.00 57.88 58.73 2k77 h LEU 109 Cb 0.08 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.88 2k77 h LEU 109 CO -0.01 0.62 0.62 -0.07 -0.34 0.00 0.00 178.44 179.26 2k77 h LEU 110 N 0.68 0.99 -0.68 2.25 3.38 -1.14 -1.50 115.31 119.30 2k77 h LEU 110 Ca 0.18 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.15 2k77 h LEU 110 Cb 0.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 2k77 h LEU 110 CO -0.02 0.64 0.42 1.23 0.09 0.00 0.00 178.44 180.80 2k77 h GLY 111 N 1.12 0.97 1.17 0.83 0.00 -0.68 -0.71 103.07 105.79 2k77 h GLY 111 Ca 0.40 -0.40 -0.03 0.00 0.00 0.00 0.00 47.33 47.31 2k77 h GLY 111 CO -0.15 0.38 0.33 1.41 0.00 0.00 0.00 176.54 178.51 2k77 h LEU 112 N 0.92 0.97 0.16 3.11 3.38 -0.28 -1.17 115.31 122.40 2k77 h LEU 112 Ca 0.24 -0.12 -0.31 0.00 0.09 0.00 0.00 57.88 57.78 2k77 h LEU 112 Cb -0.05 -0.25 0.03 0.00 0.09 0.00 0.00 40.66 40.49 2k77 h LEU 112 CO -0.05 0.84 -1.32 0.16 0.09 0.00 0.00 178.44 178.16 2k77 h ILE 113 N 1.05 1.28 0.00 1.22 3.07 -1.23 -3.31 117.51 119.59 2k77 h ILE 113 Ca 0.25 -2.53 -0.04 0.00 1.55 0.00 0.00 64.86 64.08 2k77 h ILE 113 Cb 0.15 2.80 -0.01 0.00 -0.27 0.00 0.00 36.82 39.49 2k77 h ILE 113 CO -0.03 0.77 -0.21 -0.09 -1.05 0.00 0.00 178.15 177.54 2k77 h ARG 114 N 0.24 0.00 -0.41 0.16 2.43 -1.05 -2.85 114.38 112.90 2k77 h ARG 114 Ca -0.21 0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.96 2k77 h ARG 114 Cb 2.00 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 31.53 2k77 h ARG 114 CO 0.25 0.21 0.25 1.49 -1.51 0.00 0.00 179.97 180.66 2k77 h GLU 115 N 0.00 0.55 0.00 0.20 4.57 -1.30 -3.47 114.58 115.13 2k77 h GLU 115 Ca -0.00 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.13 2k77 h GLU 115 Cb 0.49 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2k77 h GLU 115 CO 0.03 0.40 0.00 0.41 -1.18 0.00 0.00 179.01 178.67 2k77 n GLY 116 N -1.11 1.14 0.11 1.92 0.00 -1.08 -4.63 105.19 101.56 2k77 n GLY 116 Ca 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 2k77 n GLY 116 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2k77 h GLU 117 N 0.05 0.21 -7.33 1.61 5.08 -1.90 -3.43 114.58 108.86 2k77 h GLU 117 Ca 0.00 -0.35 -0.51 0.00 -1.00 0.00 0.00 59.36 57.50 2k77 h GLU 117 Cb 0.00 0.13 0.13 0.00 0.50 0.00 0.00 28.75 29.51 2k77 h GLU 117 CO 0.00 1.02 0.31 0.20 -1.00 0.00 0.00 179.01 179.54 2k77 s GLY 118 N -5.17 1.66 0.41 -3.84 0.00 -1.26 -4.86 107.32 94.26 2k77 s GLY 118 Ca -0.12 0.15 0.14 0.00 0.00 0.00 0.00 44.72 44.89 2k77 s GLY 118 CO 0.82 0.53 1.92 -2.08 0.00 0.00 0.00 173.10 174.29 2k77 h VAL 119 N -1.17 0.83 -0.50 1.40 2.07 -1.93 -1.89 116.25 115.05 2k77 h VAL 119 Ca -0.45 -0.17 0.05 0.00 0.82 0.00 0.00 66.70 66.95 2k77 h VAL 119 Cb 1.24 0.30 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 2k77 h VAL 119 CO 0.53 0.09 0.24 0.00 0.02 0.00 0.00 177.57 178.45 2k77 h ALA 120 N 1.64 0.63 -0.43 1.67 0.00 -1.91 0.28 119.26 121.13 2k77 h ALA 120 Ca 0.37 0.03 -0.09 0.00 0.00 0.00 0.00 54.91 55.22 2k77 h ALA 120 Cb 0.76 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.48 2k77 h ALA 120 CO -0.13 -0.11 -0.08 0.00 0.00 0.00 0.00 179.25 178.93 2k77 h ALA 121 N 1.27 1.05 -0.23 0.00 0.00 -1.51 -2.06 119.26 117.79 2k77 h ALA 121 Ca 0.22 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 2k77 h ALA 121 Cb 0.14 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 2k77 h ALA 121 CO -0.16 0.58 0.10 0.00 0.00 0.00 0.00 179.25 179.77 2k77 h ARG 122 N 0.69 0.34 -0.04 0.00 3.08 -1.10 -1.66 114.38 115.68 2k77 h ARG 122 Ca 0.12 -0.06 0.03 0.00 0.07 0.00 0.00 59.98 60.14 2k77 h ARG 122 Cb 0.54 -0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.50 2k77 h ARG 122 CO 0.03 0.37 -0.13 0.28 -1.07 0.00 0.00 179.97 179.45 2k77 h VAL 123 N 0.22 0.66 -0.84 2.04 2.07 -0.86 0.09 116.25 119.65 2k77 h VAL 123 Ca 0.08 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 123 Cb 0.16 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 30.55 2k77 h VAL 123 CO -0.01 0.00 0.42 -0.07 0.02 0.00 0.00 177.57 177.93 2k77 h LEU 124 N -0.20 1.08 -0.71 2.57 3.38 -1.31 -0.82 115.31 119.30 2k77 h LEU 124 Ca 0.06 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.77 2k77 h LEU 124 Cb 0.28 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 2k77 h LEU 124 CO -0.16 0.90 -0.44 0.78 0.09 0.00 0.00 178.44 179.61 2k77 h ASN 125 N 1.18 0.49 0.11 -0.43 2.35 -1.08 0.26 115.58 118.46 2k77 h ASN 125 Ca 0.29 -0.23 -0.14 0.00 -0.55 0.00 0.00 56.30 55.67 2k77 h ASN 125 Cb 0.09 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.31 2k77 h ASN 125 CO -0.04 0.87 -0.49 0.78 -1.65 0.00 0.00 177.43 176.90 2k77 h ASN 126 N 0.37 0.48 0.51 5.81 2.35 -0.60 -2.98 115.58 121.53 2k77 h ASN 126 Ca 0.03 -0.24 -0.14 0.00 -0.55 0.00 0.00 56.30 55.39 2k77 h ASN 126 Cb 0.93 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 39.15 2k77 h ASN 126 CO 0.08 0.90 -0.64 -0.07 -1.65 0.00 0.00 177.43 176.05 2k77 h LEU 127 N 0.35 0.14 0.00 1.61 3.38 -1.09 -3.48 115.31 116.22 2k77 h LEU 127 Ca 0.02 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 127 Cb 0.99 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.70 2k77 h LEU 127 CO 0.09 0.74 0.00 0.61 0.09 0.00 0.00 178.44 179.96 2k77 n GLY 128 N 0.32 1.37 3.80 0.83 0.00 -0.47 -5.10 105.19 105.93 2k77 n GLY 128 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.93 4.29 0.13 1.61 1.01 -0.04 -4.97 120.40 120.50 2k77 s VAL 129 Ca 0.00 1.69 0.08 0.00 0.00 0.00 0.00 61.98 63.75 2k77 s VAL 129 Cb 0.00 -3.87 -0.04 0.00 0.00 0.00 0.00 36.38 32.47 2k77 s VAL 129 CO 0.00 -0.01 -0.19 -0.44 0.00 0.00 0.00 175.10 174.47 2k77 s SER 130 N -1.81 2.51 0.17 3.32 0.01 -1.26 -3.87 113.70 112.78 2k77 s SER 130 Ca 0.54 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.87 2k77 s SER 130 Cb -0.15 -0.14 0.14 0.00 0.21 0.00 0.00 66.02 66.08 2k77 s SER 130 CO 0.20 -0.01 1.70 0.25 0.41 0.00 0.00 173.24 175.78 2k77 h LEU 131 N 3.63 -0.15 -0.64 2.44 6.46 -1.99 -1.02 115.31 124.05 2k77 h LEU 131 Ca -0.43 0.10 -0.13 0.00 -0.12 0.00 0.00 57.88 57.29 2k77 h LEU 131 Cb 1.19 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.27 2k77 h LEU 131 CO 0.46 -0.04 -0.63 -0.55 -0.62 0.00 0.00 178.44 177.06 2k77 h ASN 132 N 0.13 0.00 -0.01 1.25 7.08 -1.98 -1.48 115.58 120.57 2k77 h ASN 132 Ca 0.22 0.00 -0.13 0.00 -3.08 0.00 0.00 56.30 53.31 2k77 h ASN 132 Cb 0.31 0.00 0.01 0.00 -2.08 0.00 0.00 38.32 36.56 2k77 h ASN 132 CO -0.35 0.63 -0.50 0.11 -2.08 0.00 0.00 177.43 175.24 2k77 h LYS 133 N 0.00 0.36 -0.50 4.14 1.79 -1.79 -1.72 116.57 118.85 2k77 h LYS 133 Ca -0.01 -0.37 -0.04 0.00 -2.18 0.00 0.00 60.65 58.05 2k77 h LYS 133 Cb 1.18 0.10 -0.02 0.00 -1.58 0.00 0.00 32.23 31.91 2k77 h LYS 133 CO 0.08 1.05 0.16 0.00 -1.08 0.00 0.00 179.45 179.66 2k77 h ALA 134 N 0.32 0.65 -0.28 3.86 0.00 -1.29 -2.22 119.26 120.30 2k77 h ALA 134 Ca -0.06 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 134 Cb 1.22 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 18.76 2k77 h ALA 134 CO 0.10 0.30 -0.11 0.00 0.00 0.00 0.00 179.25 179.55 2k77 h ARG 135 N 0.67 -0.05 -0.70 0.00 3.08 -1.29 -0.17 114.38 115.91 2k77 h ARG 135 Ca 0.16 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2k77 h ARG 135 Cb 0.27 0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.30 2k77 h ARG 135 CO -0.01 -0.04 0.29 1.96 -1.07 0.00 0.00 179.97 181.11 2k77 h GLN 136 N -0.05 1.03 -0.12 0.04 4.20 -1.18 0.80 115.11 119.82 2k77 h GLN 136 Ca 0.14 -0.17 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 2k77 h GLN 136 Cb 0.27 -0.18 -0.00 0.00 0.30 0.00 0.00 27.48 27.87 2k77 h GLN 136 CO -0.32 0.83 -0.02 1.96 -0.67 0.00 0.00 178.83 180.62 2k77 h GLN 137 N 1.01 0.23 -0.39 1.46 1.08 -1.03 -2.18 115.11 115.29 2k77 h GLN 137 Ca 0.24 -0.08 -0.05 0.00 -1.45 0.00 0.00 58.65 57.30 2k77 h GLN 137 Cb 0.18 -0.02 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2k77 h GLN 137 CO -0.02 0.50 0.03 0.28 -0.95 0.00 0.00 178.83 178.67 2k77 h VAL 138 N -0.07 1.25 0.00 -0.54 2.07 -0.84 -0.35 116.25 117.78 2k77 h VAL 138 Ca 0.03 -0.94 -0.04 0.00 0.82 0.00 0.00 66.70 66.57 2k77 h VAL 138 Cb 0.41 1.11 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 2k77 h VAL 138 CO 0.01 0.32 -0.21 -0.07 0.02 0.00 0.00 177.57 177.64 2k77 h LEU 139 N 0.50 0.00 0.03 2.57 3.38 -0.91 -2.02 115.31 118.85 2k77 h LEU 139 Ca 0.11 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.04 2k77 h LEU 139 Cb 0.42 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 139 CO 0.01 0.21 -0.19 1.56 0.09 0.00 0.00 178.44 180.13 2k77 h GLN 140 N 0.00 0.08 0.00 1.13 4.20 -1.26 -3.40 115.11 115.85 2k77 h GLN 140 Ca -0.00 -0.12 -0.01 0.00 0.06 0.00 0.00 58.65 58.58 2k77 h GLN 140 Cb 0.75 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.57 2k77 h GLN 140 CO 0.03 1.02 -0.04 1.25 -0.67 0.00 0.00 178.83 180.42 2k77 h LEU 141 N -0.81 0.00 0.00 1.46 5.85 -0.89 -0.27 115.31 120.66 2k77 h LEU 141 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 2k77 h LEU 141 Cb 1.11 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.14 2k77 h LEU 141 CO 0.04 0.04 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 2k77 n LEU 142 N -3.14 0.00 0.00 2.25 -0.00 -0.78 -4.63 117.00 110.70 2k77 n LEU 142 Ca 0.01 0.16 0.00 0.00 -0.00 0.00 0.00 56.01 56.18 2k77 n LEU 142 Cb 0.36 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 2k77 n LEU 142 CO 0.29 -0.11 0.00 0.61 -0.00 0.00 0.00 177.39 178.18 2k77 n GLY 143 N -0.52 0.30 0.07 1.47 0.00 -1.21 -5.04 105.19 100.27 2k77 n GLY 143 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.52 -3.52 113.55 110.14 2k77 h SER 144 Ca 0.00 -0.18 0.00 0.00 -0.84 0.00 0.00 61.79 60.77 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 0.09 0.00 -3.20 -1.14 0.00 0.00 176.83 172.58