#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 -2.97 0.13 2.12 2.00 -1.26 -4.67 117.12 112.47 2k77 n MET 2 Ca 0.00 2.17 -0.01 0.00 0.00 0.00 0.00 57.70 59.86 2k77 n MET 2 Cb 0.00 -3.58 0.10 0.00 0.00 0.00 0.00 33.22 29.74 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 -1.37 0.00 -0.65 2.03 -5.15 -1.97 -3.48 116.94 106.35 2k77 h PHE 3 Ca -0.06 0.00 -0.28 0.00 -0.20 0.00 0.00 57.97 57.43 2k77 h PHE 3 Cb 1.36 0.00 -0.11 0.00 0.22 0.00 0.00 35.95 37.42 2k77 h PHE 3 CO -0.71 0.65 -0.25 0.41 -2.00 0.00 0.00 178.31 176.41 2k77 n GLY 4 N 0.72 1.39 3.42 6.09 0.00 -1.26 -4.98 105.19 110.57 2k77 n GLY 4 Ca -0.00 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.09 2.58 0.14 1.61 6.06 -1.26 -5.08 118.95 119.91 2k77 s ARG 5 Ca 0.00 -0.74 0.08 0.00 -2.50 0.00 0.00 55.73 52.57 2k77 s ARG 5 Cb 0.00 -2.35 -0.04 0.00 0.06 0.00 0.00 34.95 32.62 2k77 s ARG 5 CO 0.00 0.54 -0.09 -0.06 -2.50 0.00 0.00 175.30 173.19 2k77 s PHE 6 N -0.52 2.70 0.96 5.12 0.40 -1.26 -0.86 117.98 124.53 2k77 s PHE 6 Ca 0.07 -0.18 -0.11 0.00 -0.60 0.00 0.00 56.93 56.10 2k77 s PHE 6 Cb -0.12 -1.37 0.17 0.00 0.51 0.00 0.00 43.02 42.21 2k77 s PHE 6 CO 0.01 0.46 1.09 0.95 0.70 0.00 0.00 175.22 178.43 2k77 s THR 7 N -1.42 2.38 0.27 0.64 -4.23 -0.11 -4.81 115.64 108.34 2k77 s THR 7 Ca 0.23 0.12 -0.04 0.00 -1.18 0.00 0.00 61.69 60.82 2k77 s THR 7 Cb -0.10 -2.37 0.21 0.00 1.34 0.00 0.00 72.50 71.58 2k77 s THR 7 CO 0.14 -0.16 1.89 -0.08 -0.54 0.00 0.00 174.62 175.87 2k77 h GLU 8 N -1.89 1.10 -0.65 3.99 4.57 -1.99 -0.95 114.58 118.77 2k77 h GLU 8 Ca -0.51 -0.13 0.00 0.00 -1.18 0.00 0.00 59.36 57.55 2k77 h GLU 8 Cb 1.29 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 29.63 2k77 h GLU 8 CO 0.50 0.82 0.41 0.00 -1.18 0.00 0.00 179.01 179.55 2k77 h ARG 9 N 1.11 0.86 -0.23 1.92 3.08 -1.94 -1.27 114.38 117.90 2k77 h ARG 9 Ca 0.28 -0.06 -0.15 0.00 0.07 0.00 0.00 59.98 60.11 2k77 h ARG 9 Cb 0.04 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 29.90 2k77 h ARG 9 CO -0.04 0.59 -0.45 0.00 -1.07 0.00 0.00 179.97 179.00 2k77 h ALA 10 N 1.22 0.37 -0.12 0.04 0.00 -1.79 -3.00 119.26 115.96 2k77 h ALA 10 Ca 0.23 -0.47 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 2k77 h ALA 10 Cb -0.07 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2k77 h ALA 10 CO -0.05 0.50 -0.03 1.96 0.00 0.00 0.00 179.25 181.63 2k77 h GLN 11 N 0.43 0.18 -0.52 0.00 4.20 -1.02 -1.80 115.11 116.58 2k77 h GLN 11 Ca 0.01 -0.02 -0.03 0.00 0.06 0.00 0.00 58.65 58.66 2k77 h GLN 11 Cb 1.05 -0.03 -0.02 0.00 0.30 0.00 0.00 27.48 28.78 2k77 h GLN 11 CO 0.10 0.23 0.19 0.87 -0.67 0.00 0.00 178.83 179.55 2k77 h LYS 12 N 0.18 0.78 -0.45 1.46 1.57 -1.16 -0.30 116.57 118.65 2k77 h LYS 12 Ca 0.04 -0.15 -0.06 0.00 -1.87 0.00 0.00 60.65 58.61 2k77 h LYS 12 Cb 0.18 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 2k77 h LYS 12 CO 0.01 0.70 0.02 -0.39 -0.57 0.00 0.00 179.45 179.22 2k77 h VAL 13 N 0.70 1.23 -0.04 0.50 -1.51 -1.23 -0.61 116.25 115.29 2k77 h VAL 13 Ca 0.17 -0.91 -0.20 0.00 -1.23 0.00 0.00 66.70 64.53 2k77 h VAL 13 Cb 0.22 0.86 -0.00 0.00 -2.13 0.00 0.00 31.29 30.24 2k77 h VAL 13 CO -0.01 0.32 -0.81 -0.07 -1.23 0.00 0.00 177.57 175.77 2k77 h LEU 14 N 0.68 0.44 -0.62 4.19 3.38 -1.22 0.19 115.31 122.36 2k77 h LEU 14 Ca 0.14 -0.32 -0.10 0.00 0.09 0.00 0.00 57.88 57.69 2k77 h LEU 14 Cb 0.39 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 2k77 h LEU 14 CO 0.01 1.09 -0.05 0.00 0.09 0.00 0.00 178.44 179.58 2k77 h ALA 15 N 0.90 0.83 -0.09 1.53 0.00 -0.91 -2.88 119.26 118.64 2k77 h ALA 15 Ca -0.05 -0.33 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 2k77 h ALA 15 Cb 1.41 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2k77 h ALA 15 CO 0.14 0.67 -0.37 -0.07 0.00 0.00 0.00 179.25 179.62 2k77 h LEU 16 N 0.93 0.18 -1.18 0.00 3.38 -1.01 -2.44 115.31 115.17 2k77 h LEU 16 Ca 0.16 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.03 2k77 h LEU 16 Cb 0.60 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 2k77 h LEU 16 CO 0.04 0.54 0.23 0.00 0.09 0.00 0.00 178.44 179.34 2k77 h ALA 17 N 1.47 1.36 -0.33 1.53 0.00 -0.76 0.11 119.26 122.64 2k77 h ALA 17 Ca 0.02 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 17 Cb 0.72 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 2k77 h ALA 17 CO 0.05 0.49 -0.03 0.37 0.00 0.00 0.00 179.25 180.13 2k77 h GLN 18 N 0.80 0.61 -0.69 0.00 4.15 -1.31 -1.40 115.11 117.27 2k77 h GLN 18 Ca 0.19 -0.21 -0.06 0.00 0.77 0.00 0.00 58.65 59.34 2k77 h GLN 18 Cb 0.14 -0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.76 2k77 h GLN 18 CO -0.02 0.75 0.18 1.49 -1.93 0.00 0.00 178.83 179.30 2k77 h GLU 19 N 0.40 1.08 -0.34 1.69 4.81 -0.95 -1.32 114.58 119.94 2k77 h GLU 19 Ca 0.09 -0.24 -0.16 0.00 -0.13 0.00 0.00 59.36 58.91 2k77 h GLU 19 Cb 0.50 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2k77 h GLU 19 CO 0.02 0.94 -0.43 0.93 -0.73 0.00 0.00 179.01 179.75 2k77 h GLU 20 N 1.03 0.87 -0.05 1.92 4.39 -0.81 -0.21 114.58 121.71 2k77 h GLU 20 Ca 0.22 -0.48 0.02 0.00 0.34 0.00 0.00 59.36 59.46 2k77 h GLU 20 Cb 0.34 0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.99 2k77 h GLU 20 CO -0.00 1.12 -0.07 0.00 -1.16 0.00 0.00 179.01 178.90 2k77 h ALA 21 N 0.81 -0.02 -0.26 3.43 0.00 -1.07 -1.49 119.26 120.66 2k77 h ALA 21 Ca 0.05 0.02 -0.10 0.00 0.00 0.00 0.00 54.91 54.88 2k77 h ALA 21 Cb 1.01 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.92 2k77 h ALA 21 CO 0.10 -0.54 -0.28 -0.07 0.00 0.00 0.00 179.25 178.46 2k77 h LEU 22 N -0.09 0.52 -1.01 0.00 3.38 -1.19 0.97 115.31 117.89 2k77 h LEU 22 Ca 0.05 -0.19 -0.04 0.00 0.09 0.00 0.00 57.88 57.79 2k77 h LEU 22 Cb 0.16 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.73 2k77 h LEU 22 CO -0.11 0.79 0.22 0.03 0.09 0.00 0.00 178.44 179.46 2k77 h ARG 23 N 0.45 0.94 -0.01 1.13 3.08 -0.91 -1.90 114.38 117.15 2k77 h ARG 23 Ca 0.06 -0.17 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2k77 h ARG 23 Cb 0.72 -0.15 0.00 0.00 0.08 0.00 0.00 29.97 30.62 2k77 h ARG 23 CO 0.06 0.79 0.00 1.28 -1.07 0.00 0.00 179.97 181.02 2k77 n LEU 24 N -4.29 0.33 -0.54 3.04 4.77 -0.57 -4.93 117.00 114.80 2k77 n LEU 24 Ca 0.05 -0.12 -0.07 0.00 -0.03 0.00 0.00 56.01 55.84 2k77 n LEU 24 Cb 0.19 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 2k77 n LEU 24 CO 0.40 0.06 -0.07 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 25 N 0.97 0.91 3.83 -0.72 0.00 -0.72 -1.22 105.19 108.24 2k77 n GLY 25 Ca 0.20 -0.58 -0.38 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 -2.21 3.74 -2.19 1.61 3.76 0.26 -1.93 115.29 118.33 2k77 s HIS 26 Ca 0.00 1.11 0.18 0.00 -0.15 0.00 0.00 55.06 56.20 2k77 s HIS 26 Cb 0.00 -2.38 0.64 0.00 1.11 0.00 0.00 32.58 31.95 2k77 s HIS 26 CO 0.00 0.59 1.47 0.27 -0.85 0.00 0.00 174.74 176.22 2k77 n ASN 27 N 1.61 1.67 -3.94 1.40 6.94 -1.15 -3.39 115.26 118.40 2k77 n ASN 27 Ca -0.11 -1.78 -0.09 0.00 -0.02 0.00 0.00 54.58 52.58 2k77 n ASN 27 Cb 0.52 -0.14 -0.10 0.00 -2.36 0.00 0.00 39.78 37.70 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 -1.41 0.20 -0.25 0.53 2.20 -1.26 -2.93 114.94 112.01 2k77 s ASN 28 Ca 0.30 -0.53 -0.12 0.00 -0.94 0.00 0.00 52.86 51.57 2k77 s ASN 28 Cb 0.16 0.21 -0.05 0.00 -2.00 0.00 0.00 41.25 39.57 2k77 s ASN 28 CO 0.23 -0.47 0.22 -0.63 -2.94 0.00 0.00 177.10 173.51 2k77 s ILE 29 N -2.43 5.31 0.50 0.54 1.01 0.17 -4.83 121.20 121.47 2k77 s ILE 29 Ca -0.06 0.28 0.08 0.00 0.00 0.00 0.00 60.65 60.95 2k77 s ILE 29 Cb -0.02 -3.56 0.04 0.00 0.01 0.00 0.00 42.46 38.93 2k77 s ILE 29 CO -0.04 0.29 0.59 -0.83 0.00 0.00 0.00 174.94 174.95 2k77 s GLY 30 N 1.30 1.99 0.30 6.18 0.00 -1.26 -1.53 107.32 114.29 2k77 s GLY 30 Ca 0.10 -1.82 0.03 0.00 0.00 0.00 0.00 44.72 43.03 2k77 s GLY 30 CO 0.07 -1.70 1.83 -0.91 0.00 0.00 0.00 173.10 172.40 2k77 h THR 31 N 0.56 0.88 -0.60 0.90 1.35 -1.92 -1.66 112.91 112.41 2k77 h THR 31 Ca -0.36 -0.32 0.12 0.00 -0.55 0.00 0.00 66.41 65.31 2k77 h THR 31 Cb 1.29 -0.13 -0.11 0.00 -1.73 0.00 0.00 68.15 67.47 2k77 h THR 31 CO 0.48 0.17 -0.13 1.05 -0.25 0.00 0.00 175.52 176.84 2k77 h GLU 32 N 0.92 0.01 -0.02 4.72 9.09 -1.94 -0.24 114.58 127.13 2k77 h GLU 32 Ca 0.50 -0.00 -0.16 0.00 0.05 0.00 0.00 59.36 59.75 2k77 h GLU 32 Cb 0.58 -0.00 -0.02 0.00 -1.65 0.00 0.00 28.75 27.66 2k77 h GLU 32 CO -0.27 0.01 -0.71 0.45 0.05 0.00 0.00 179.01 178.53 2k77 h HIS 33 N 0.01 0.15 -0.44 2.06 3.86 -1.66 -0.23 115.15 118.91 2k77 h HIS 33 Ca 0.29 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 33 Cb 0.46 -0.02 -0.01 0.00 1.06 0.00 0.00 27.41 28.89 2k77 h HIS 33 CO -0.48 0.79 -0.09 0.82 0.86 0.00 0.00 177.93 179.82 2k77 h ILE 34 N 0.07 1.27 -0.54 2.45 2.04 -1.05 0.12 117.51 121.88 2k77 h ILE 34 Ca -0.02 -1.20 -0.08 0.00 1.00 0.00 0.00 64.86 64.56 2k77 h ILE 34 Cb 1.26 1.15 -0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2k77 h ILE 34 CO 0.10 0.41 0.02 0.25 0.00 0.00 0.00 178.15 178.93 2k77 h LEU 35 N 0.67 0.91 -0.69 1.44 5.85 -0.90 -1.05 115.31 121.54 2k77 h LEU 35 Ca 0.11 -0.30 -0.13 0.00 0.84 0.00 0.00 57.88 58.40 2k77 h LEU 35 Cb 0.63 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 2k77 h LEU 35 CO 0.04 0.98 -0.46 0.25 -0.34 0.00 0.00 178.44 178.92 2k77 h LEU 36 N 0.81 0.50 -0.86 2.25 5.85 -0.98 -2.61 115.31 120.28 2k77 h LEU 36 Ca 0.15 -0.23 -0.06 0.00 0.84 0.00 0.00 57.88 58.58 2k77 h LEU 36 Cb 0.50 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.37 2k77 h LEU 36 CO 0.02 0.88 0.13 1.23 -0.34 0.00 0.00 178.44 180.36 2k77 h GLY 37 N 1.14 1.05 0.59 3.75 0.00 -0.67 -1.91 103.07 107.02 2k77 h GLY 37 Ca 0.02 -0.65 0.01 0.00 0.00 0.00 0.00 47.33 46.71 2k77 h GLY 37 CO 0.08 0.61 -0.31 1.41 0.00 0.00 0.00 176.54 178.33 2k77 h LEU 38 N 0.93 -0.86 -1.42 3.11 3.38 -0.94 -1.13 115.31 118.38 2k77 h LEU 38 Ca 0.19 0.08 -0.06 0.00 0.09 0.00 0.00 57.88 58.19 2k77 h LEU 38 Cb 0.36 0.30 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2k77 h LEU 38 CO 0.00 -0.43 -0.27 -0.37 0.09 0.00 0.00 178.44 177.47 2k77 h VAL 39 N -0.61 0.89 0.00 1.22 -1.51 -1.44 -1.44 116.25 113.37 2k77 h VAL 39 Ca -0.00 -1.04 -0.07 0.00 -1.23 0.00 0.00 66.70 64.37 2k77 h VAL 39 Cb 0.59 1.61 -0.01 0.00 -2.13 0.00 0.00 31.29 31.35 2k77 h VAL 39 CO -0.10 0.26 -0.32 0.03 -1.23 0.00 0.00 177.57 176.21 2k77 h ARG 40 N 0.00 0.00 0.02 5.19 2.47 -1.17 -3.14 114.38 117.75 2k77 h ARG 40 Ca -0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2k77 h ARG 40 Cb 0.59 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.91 2k77 h ARG 40 CO 0.03 0.32 -0.01 1.49 0.56 0.00 0.00 179.97 182.37 2k77 h GLU 41 N 0.00 -0.02 0.00 0.04 4.22 -0.61 -3.48 114.58 114.73 2k77 h GLU 41 Ca -0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.44 2k77 h GLU 41 Cb 0.85 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.10 2k77 h GLU 41 CO 0.04 0.68 0.00 0.41 -2.18 0.00 0.00 179.01 177.97 2k77 n GLY 42 N 0.95 0.53 0.00 1.92 0.00 -0.60 -4.71 105.19 103.29 2k77 n GLY 42 Ca -0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.93 2k77 n GLY 42 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2k77 n GLU 43 N -2.00 1.46 -1.24 1.61 1.02 -1.26 -4.64 120.64 115.59 2k77 n GLU 43 Ca 0.00 -0.01 -0.33 0.00 -0.02 0.00 0.00 57.16 56.80 2k77 n GLU 43 Cb 0.00 -1.04 0.11 0.00 -0.02 0.00 0.00 31.44 30.49 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 2k77 s GLY 44 N -2.57 2.13 0.25 0.62 0.00 -1.26 -4.77 107.32 101.72 2k77 s GLY 44 Ca -0.01 0.76 -0.04 0.00 0.00 0.00 0.00 44.72 45.43 2k77 s GLY 44 CO 0.07 1.16 1.81 -2.22 0.00 0.00 0.00 173.10 173.92 2k77 h ILE 45 N -0.76 0.92 -0.28 0.90 1.08 -1.95 -1.25 117.51 116.17 2k77 h ILE 45 Ca -0.46 -0.28 -0.04 0.00 -0.39 0.00 0.00 64.86 63.69 2k77 h ILE 45 Cb 1.28 0.02 -0.01 0.00 -3.07 0.00 0.00 36.82 35.04 2k77 h ILE 45 CO 0.48 0.15 0.03 0.00 -0.69 0.00 0.00 178.15 178.12 2k77 h ALA 46 N 1.46 0.38 -0.58 1.87 0.00 -1.89 0.97 119.26 121.47 2k77 h ALA 46 Ca 0.41 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 2k77 h ALA 46 Cb 0.37 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.02 2k77 h ALA 46 CO -0.25 0.09 0.12 0.00 0.00 0.00 0.00 179.25 179.21 2k77 h ALA 47 N 0.86 1.12 -0.18 0.00 0.00 -1.72 -0.56 119.26 118.77 2k77 h ALA 47 Ca 0.08 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.66 2k77 h ALA 47 Cb 0.37 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 47 CO 0.01 0.58 -0.34 -0.22 0.00 0.00 0.00 179.25 179.28 2k77 h LYS 48 N 0.87 0.38 -0.46 0.00 1.63 -1.11 -1.74 116.57 116.14 2k77 h LYS 48 Ca 0.18 -0.17 -0.10 0.00 -0.85 0.00 0.00 60.65 59.71 2k77 h LYS 48 Cb 0.34 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.95 2k77 h LYS 48 CO 0.00 0.68 -0.12 0.00 -3.45 0.00 0.00 179.45 176.57 2k77 h ALA 49 N 1.31 0.63 -0.24 5.00 0.00 -0.35 0.42 119.26 126.03 2k77 h ALA 49 Ca 0.04 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.62 2k77 h ALA 49 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 2k77 h ALA 49 CO 0.06 0.54 0.14 -0.07 0.00 0.00 0.00 179.25 179.91 2k77 h LEU 50 N 0.73 0.22 -1.02 0.00 3.38 -0.95 -1.63 115.31 116.03 2k77 h LEU 50 Ca 0.12 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.00 2k77 h LEU 50 Cb 0.67 -0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 2k77 h LEU 50 CO 0.05 0.16 -0.29 1.56 0.09 0.00 0.00 178.44 180.01 2k77 h GLN 51 N 0.28 0.34 -0.19 1.13 4.20 -1.25 -2.51 115.11 117.11 2k77 h GLN 51 Ca 0.10 -0.13 -0.07 0.00 0.06 0.00 0.00 58.65 58.60 2k77 h GLN 51 Cb 0.00 -0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.75 2k77 h GLN 51 CO -0.05 0.61 -0.20 0.00 -0.67 0.00 0.00 178.83 178.52 2k77 h ALA 52 N 1.40 1.31 0.00 3.87 0.00 -0.67 -1.81 119.26 123.36 2k77 h ALA 52 Ca 0.04 -0.28 0.00 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 52 Cb 0.67 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2k77 h ALA 52 CO 0.05 0.46 0.00 1.28 0.00 0.00 0.00 179.25 181.04 2k77 n LEU 53 N -4.19 0.00 0.00 0.00 4.77 -0.64 -4.86 117.00 112.08 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 0.34 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.43 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 0.22 0.73 3.94 -0.72 0.00 -0.68 -5.00 105.19 103.67 2k77 n GLY 54 Ca 0.04 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.77 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 2.75 0.05 0.99 1.43 -0.97 -5.00 118.68 117.92 2k77 s LEU 55 Ca 0.00 0.18 -0.27 0.00 -1.03 0.00 0.00 54.13 53.01 2k77 s LEU 55 Cb 0.00 -2.24 0.08 0.00 0.03 0.00 0.00 46.19 44.05 2k77 s LEU 55 CO 0.00 -2.67 0.67 -0.83 0.23 0.00 0.00 176.35 173.76 2k77 s GLY 56 N -4.89 -0.58 0.33 -3.19 0.00 -1.26 -4.36 107.32 93.37 2k77 s GLY 56 Ca 0.74 0.94 0.00 0.00 0.00 0.00 0.00 44.72 46.40 2k77 s GLY 56 CO 0.52 0.54 1.98 1.76 0.00 0.00 0.00 173.10 177.90 2k77 h SER 57 N 2.43 0.81 -0.41 1.64 0.02 -1.99 -1.93 113.55 114.13 2k77 h SER 57 Ca -0.30 -0.03 -0.09 0.00 -0.84 0.00 0.00 61.79 60.54 2k77 h SER 57 Cb 1.23 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.55 2k77 h SER 57 CO 0.38 0.60 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.53 2k77 h GLU 58 N 0.95 0.84 -0.06 3.45 4.81 -1.98 -0.42 114.58 122.17 2k77 h GLU 58 Ca 0.25 -0.26 -0.25 0.00 -0.13 0.00 0.00 59.36 58.98 2k77 h GLU 58 Cb -0.09 -0.08 0.02 0.00 0.63 0.00 0.00 28.75 29.23 2k77 h GLU 58 CO -0.05 0.88 -0.93 0.87 -0.73 0.00 0.00 179.01 179.05 2k77 h LYS 59 N 0.77 0.71 -0.40 1.92 6.56 -1.80 -0.26 116.57 124.08 2k77 h LYS 59 Ca 0.14 -0.69 -0.06 0.00 -1.06 0.00 0.00 60.65 58.98 2k77 h LYS 59 Cb 0.55 0.17 -0.01 0.00 -0.57 0.00 0.00 32.23 32.37 2k77 h LYS 59 CO 0.03 1.28 0.02 0.82 -2.06 0.00 0.00 179.45 179.54 2k77 h ILE 60 N 0.44 1.26 -0.57 1.86 2.04 -1.39 -2.50 117.51 118.64 2k77 h ILE 60 Ca -0.09 -0.97 -0.02 0.00 1.00 0.00 0.00 64.86 64.78 2k77 h ILE 60 Cb 1.57 1.10 -0.03 0.00 -0.74 0.00 0.00 36.82 38.72 2k77 h ILE 60 CO 0.18 0.33 0.29 -0.61 0.00 0.00 0.00 178.15 178.34 2k77 h GLN 61 N 0.53 0.81 -0.07 2.37 4.15 -1.02 -0.51 115.11 121.37 2k77 h GLN 61 Ca 0.12 -0.11 0.04 0.00 0.77 0.00 0.00 58.65 59.47 2k77 h GLN 61 Cb 0.45 -0.15 -0.05 0.00 0.21 0.00 0.00 27.48 27.93 2k77 h GLN 61 CO 0.02 0.64 -0.25 -0.22 -1.93 0.00 0.00 178.83 177.09 2k77 h LYS 62 N 0.77 -0.33 -0.13 1.69 3.64 -1.02 -1.21 116.57 119.98 2k77 h LYS 62 Ca 0.20 0.02 -0.14 0.00 -1.27 0.00 0.00 60.65 59.46 2k77 h LYS 62 Cb 0.09 0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 2k77 h LYS 62 CO -0.03 -0.22 -0.53 0.93 -2.27 0.00 0.00 179.45 177.33 2k77 h GLU 63 N -0.34 0.37 0.76 1.90 4.39 -1.20 -1.12 114.58 119.33 2k77 h GLU 63 Ca 0.08 -0.23 -0.04 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 63 Cb 0.47 0.02 0.01 0.00 -0.10 0.00 0.00 28.75 29.14 2k77 h GLU 63 CO -0.27 0.81 -0.37 0.28 -1.16 0.00 0.00 179.01 178.30 2k77 h VAL 64 N 0.29 0.22 -0.46 3.13 2.07 -1.01 -3.03 116.25 117.45 2k77 h VAL 64 Ca 0.01 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.44 2k77 h VAL 64 Cb 1.03 0.24 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 2k77 h VAL 64 CO 0.09 0.01 0.21 -0.33 0.02 0.00 0.00 177.57 177.57 2k77 h GLU 65 N -1.07 0.65 0.00 1.57 5.08 -1.15 -1.54 114.58 118.12 2k77 h GLU 65 Ca -0.10 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.18 2k77 h GLU 65 Cb 0.79 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2k77 h GLU 65 CO 0.17 0.52 0.00 0.77 -1.00 0.00 0.00 179.01 179.47 2k77 h SER 66 N 0.65 0.00 0.00 1.42 0.02 -1.23 -1.23 113.55 113.19 2k77 h SER 66 Ca 0.16 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 60.96 2k77 h SER 66 Cb 0.09 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.60 2k77 h SER 66 CO -0.02 0.00 -2.01 0.18 -1.14 0.00 0.00 176.83 173.84 2k77 n LEU 67 N -2.80 0.00 -0.00 5.07 4.77 -0.64 -4.75 117.00 118.65 2k77 n LEU 67 Ca -0.00 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.00 2k77 n LEU 67 Cb 0.21 0.21 -0.04 0.00 -2.33 0.00 0.00 43.42 41.47 2k77 n LEU 67 CO 0.22 0.21 -0.53 2.30 -1.33 0.00 0.00 177.39 178.26 2k77 n ILE 68 N -2.38 0.00 -4.90 -0.08 -5.35 -0.85 -5.12 119.36 100.68 2k77 n ILE 68 Ca -0.15 -0.13 0.00 0.00 -0.27 0.00 0.00 62.75 62.20 2k77 n ILE 68 Cb 0.76 0.42 0.00 0.00 -1.74 0.00 0.00 39.64 39.09 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 2.15 0.81 3.23 3.28 0.00 -0.47 -4.98 105.19 109.22 2k77 n GLY 69 Ca -0.01 -0.74 -0.09 0.00 0.00 0.00 0.00 46.02 45.18 2k77 n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2k77 s ARG 70 N 0.00 0.95 0.00 1.61 1.70 -1.26 -4.92 118.95 117.03 2k77 s ARG 70 Ca 0.00 -1.17 0.00 0.00 -0.47 0.00 0.00 55.73 54.09 2k77 s ARG 70 Cb 0.00 0.32 0.00 0.00 -0.57 0.00 0.00 34.95 34.70 2k77 s ARG 70 CO 0.00 -0.31 0.00 0.41 -1.08 0.00 0.00 175.30 174.32 2k77 n GLY 71 N -0.11 0.80 2.36 3.88 0.00 -0.36 -4.98 105.19 106.79 2k77 n GLY 71 Ca -0.10 -0.63 -0.28 0.00 0.00 0.00 0.00 46.02 45.01 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 -1.74 2.81 -2.62 1.61 6.02 -0.81 -4.91 117.38 117.74 2k77 n GLN 72 Ca 0.00 -1.71 -0.42 0.00 -0.01 0.00 0.00 57.00 54.86 2k77 n GLN 72 Cb 0.18 -2.52 -0.02 0.00 1.02 0.00 0.00 30.24 28.89 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 2.41 3.67 -0.30 -1.09 2.12 -0.88 -2.93 118.70 121.70 2k77 s GLU 73 Ca 0.58 -1.39 0.16 0.00 0.36 0.00 0.00 54.97 54.68 2k77 s GLU 73 Cb 0.17 -5.32 0.48 0.00 0.26 0.00 0.00 34.13 29.72 2k77 s GLU 73 CO -0.04 -2.15 1.09 -1.33 -0.54 0.00 0.00 175.26 172.30 2k77 n MET 74 N 8.40 2.22 -3.26 4.30 2.81 -1.26 -5.05 117.12 125.28 2k77 n MET 74 Ca 0.34 -3.71 -0.38 0.00 -1.81 0.00 0.00 57.70 52.13 2k77 n MET 74 Cb 0.50 -1.75 -0.06 0.00 -0.71 0.00 0.00 33.22 31.20 2k77 n MET 74 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 2k77 s SER 75 N -3.59 6.88 0.00 7.83 0.01 -1.26 -4.81 113.70 118.76 2k77 s SER 75 Ca 0.35 1.05 0.00 0.00 1.31 0.00 0.00 55.95 58.65 2k77 s SER 75 Cb 0.38 -2.33 0.00 0.00 0.21 0.00 0.00 66.02 64.28 2k77 s SER 75 CO -0.02 0.09 0.00 1.67 0.41 0.00 0.00 173.24 175.39 2k77 n GLN 76 N 2.91 0.00 -4.07 12.44 -0.06 -1.26 -5.10 117.38 122.24 2k77 n GLN 76 Ca -0.08 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.74 2k77 n GLN 76 Cb 0.51 -0.00 -0.16 0.00 -4.06 0.00 0.00 30.24 26.53 2k77 n GLN 76 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2k77 s THR 77 N -1.95 0.38 0.49 1.69 2.01 -1.26 -5.15 115.64 111.84 2k77 s THR 77 Ca 0.00 -0.03 -0.21 0.00 0.31 0.00 0.00 61.69 61.75 2k77 s THR 77 Cb 0.00 -0.43 -0.07 0.00 0.01 0.00 0.00 72.50 72.01 2k77 s THR 77 CO 0.00 0.19 1.13 -0.63 -0.69 0.00 0.00 174.62 174.62 2k77 s ILE 78 N 0.93 3.25 0.10 1.82 1.09 -1.26 -4.94 121.20 122.18 2k77 s ILE 78 Ca -0.11 0.86 0.08 0.00 -1.10 0.00 0.00 60.65 60.38 2k77 s ILE 78 Cb -0.14 -3.39 -0.03 0.00 -1.06 0.00 0.00 42.46 37.83 2k77 s ILE 78 CO -0.01 -0.09 -0.21 -2.28 -0.10 0.00 0.00 174.94 172.25 2k77 s HIS 79 N -1.69 1.81 -0.20 3.97 5.65 -1.15 -5.02 115.29 118.67 2k77 s HIS 79 Ca 0.67 -0.41 -0.15 0.00 0.25 0.00 0.00 55.06 55.43 2k77 s HIS 79 Cb -0.25 -1.00 -0.04 0.00 -1.18 0.00 0.00 32.58 30.10 2k77 s HIS 79 CO 0.29 0.20 0.33 0.71 -0.65 0.00 0.00 174.74 175.63 2k77 s TYR 80 N -1.11 3.38 0.91 3.88 1.51 -1.26 -0.65 117.35 124.00 2k77 s TYR 80 Ca 0.07 0.54 -0.10 0.00 -1.01 0.00 0.00 57.07 56.57 2k77 s TYR 80 Cb -0.10 -2.44 0.14 0.00 -0.11 0.00 0.00 41.96 39.45 2k77 s TYR 80 CO 0.04 0.05 1.14 0.95 -1.11 0.00 0.00 175.55 176.62 2k77 s THR 81 N 1.10 2.13 0.44 -0.71 -4.23 -0.58 -4.70 115.64 109.09 2k77 s THR 81 Ca 0.16 0.04 0.16 0.00 -1.18 0.00 0.00 61.69 60.87 2k77 s THR 81 Cb -0.14 -2.09 0.35 0.00 1.34 0.00 0.00 72.50 71.95 2k77 s THR 81 CO 0.07 -0.06 1.96 -0.65 -0.54 0.00 0.00 174.62 175.40 2k77 h PRO 82 N -1.84 0.37 -0.17 3.99 0.11 -1.98 0.71 132.00 133.19 2k77 h PRO 82 Ca -0.43 -0.02 -0.17 0.00 0.11 0.00 0.00 66.00 65.49 2k77 h PRO 82 Cb 1.27 -0.08 0.01 0.00 0.11 0.00 0.00 31.00 32.30 2k77 h PRO 82 CO 0.42 0.24 -0.55 0.00 -0.21 0.00 0.00 178.00 177.90 2k77 h ARG 83 N 0.38 0.67 -0.52 1.05 2.47 -1.93 -0.88 114.38 115.61 2k77 h ARG 83 Ca 0.31 -0.50 -0.09 0.00 -1.26 0.00 0.00 59.98 58.44 2k77 h ARG 83 Cb 0.71 0.09 -0.02 0.00 -1.65 0.00 0.00 29.97 29.10 2k77 h ARG 83 CO -0.09 1.12 -0.04 0.00 0.56 0.00 0.00 179.97 181.52 2k77 h ALA 84 N 0.55 0.71 -0.93 0.04 0.00 -1.66 -1.51 119.26 116.47 2k77 h ALA 84 Ca -0.02 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 84 Cb 1.18 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.73 2k77 h ALA 84 CO 0.12 0.56 0.60 -0.22 0.00 0.00 0.00 179.25 180.31 2k77 h LYS 85 N 0.81 1.14 -0.59 0.00 1.63 -0.89 -0.37 116.57 118.30 2k77 h LYS 85 Ca 0.14 -0.07 -0.05 0.00 -0.85 0.00 0.00 60.65 59.83 2k77 h LYS 85 Cb 0.58 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 31.93 2k77 h LYS 85 CO 0.03 0.75 0.18 -0.22 -3.45 0.00 0.00 179.45 176.74 2k77 h LYS 86 N 1.18 0.89 -0.56 1.90 1.63 -0.89 -1.18 116.57 119.54 2k77 h LYS 86 Ca 0.37 -0.17 -0.09 0.00 -0.85 0.00 0.00 60.65 59.91 2k77 h LYS 86 Cb -0.01 -0.14 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 2k77 h LYS 86 CO -0.12 0.77 -0.01 0.28 -3.45 0.00 0.00 179.45 176.93 2k77 h VAL 87 N 0.86 1.26 -0.77 2.00 2.07 -0.52 0.78 116.25 121.93 2k77 h VAL 87 Ca 0.19 -1.12 -0.04 0.00 0.82 0.00 0.00 66.70 66.56 2k77 h VAL 87 Cb 0.26 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 2k77 h VAL 87 CO -0.01 0.40 0.32 0.40 0.02 0.00 0.00 177.57 178.70 2k77 h ILE 88 N 0.89 1.25 -0.12 4.57 1.08 -0.68 0.56 117.51 125.06 2k77 h ILE 88 Ca 0.16 -0.78 -0.04 0.00 -0.39 0.00 0.00 64.86 63.81 2k77 h ILE 88 Cb 0.53 0.32 -0.00 0.00 -3.07 0.00 0.00 36.82 34.60 2k77 h ILE 88 CO 0.03 0.32 -0.07 -0.33 -0.69 0.00 0.00 178.15 177.40 2k77 h GLU 89 N 1.11 0.26 -0.35 2.37 5.08 -1.04 -3.11 114.58 118.90 2k77 h GLU 89 Ca 0.26 -0.12 -0.15 0.00 -1.00 0.00 0.00 59.36 58.35 2k77 h GLU 89 Cb 0.19 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.43 2k77 h GLU 89 CO -0.02 0.62 -0.37 -0.07 -1.00 0.00 0.00 179.01 178.17 2k77 h LEU 90 N -0.11 0.86 -1.02 1.33 3.38 -0.71 -1.53 115.31 117.51 2k77 h LEU 90 Ca 0.02 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 2k77 h LEU 90 Cb 0.56 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2k77 h LEU 90 CO 0.02 1.14 0.00 0.77 0.09 0.00 0.00 178.44 180.46 2k77 h SER 91 N 0.67 0.66 -0.33 -0.43 4.64 -1.01 0.14 113.55 117.89 2k77 h SER 91 Ca 0.06 -0.15 -0.11 0.00 -0.47 0.00 0.00 61.79 61.12 2k77 h SER 91 Cb 0.93 -0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 62.83 2k77 h SER 91 CO 0.09 0.73 -0.18 -0.03 -0.87 0.00 0.00 176.83 176.57 2k77 h MET 92 N 0.66 0.80 -0.09 4.77 1.85 -1.44 -1.43 114.93 120.06 2k77 h MET 92 Ca 0.13 -0.30 -0.17 0.00 -0.61 0.00 0.00 59.70 58.75 2k77 h MET 92 Cb 0.41 -0.05 -0.01 0.00 0.43 0.00 0.00 31.60 32.38 2k77 h MET 92 CO 0.02 0.92 -0.66 0.22 -0.40 0.00 0.00 176.91 177.01 2k77 h ASP 93 N 0.71 0.41 -0.56 1.39 3.58 -0.82 -1.14 116.42 120.00 2k77 h ASP 93 Ca 0.11 -0.25 -0.09 0.00 0.42 0.00 0.00 57.03 57.21 2k77 h ASP 93 Cb 0.69 -0.12 -0.02 0.00 1.72 0.00 0.00 39.33 41.60 2k77 h ASP 93 CO 0.05 0.96 -0.01 -0.33 -2.88 0.00 0.00 179.24 177.03 2k77 h GLU 94 N 0.25 1.00 -0.77 0.28 4.39 -0.68 0.76 114.58 119.81 2k77 h GLU 94 Ca -0.02 -0.33 -0.02 0.00 0.34 0.00 0.00 59.36 59.34 2k77 h GLU 94 Cb 1.21 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 29.74 2k77 h GLU 94 CO 0.11 1.00 0.41 0.00 -1.16 0.00 0.00 179.01 179.37 2k77 h ALA 95 N 0.96 1.28 -0.38 3.43 0.00 -1.21 -2.61 119.26 120.72 2k77 h ALA 95 Ca 0.16 -0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.86 2k77 h ALA 95 Cb 0.56 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 2k77 h ALA 95 CO 0.03 0.58 -0.13 -0.09 0.00 0.00 0.00 179.25 179.65 2k77 h ARG 96 N 1.07 0.69 -0.39 0.00 2.43 -0.79 -0.78 114.38 116.61 2k77 h ARG 96 Ca 0.27 -0.22 -0.04 0.00 -0.81 0.00 0.00 59.98 59.18 2k77 h ARG 96 Cb 0.04 -0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.51 2k77 h ARG 96 CO -0.04 0.79 0.08 0.87 -1.51 0.00 0.00 179.97 180.16 2k77 h LYS 97 N 0.62 0.59 -0.00 0.20 1.79 -0.57 -1.22 116.57 117.99 2k77 h LYS 97 Ca 0.11 -0.10 0.00 0.00 -2.18 0.00 0.00 60.65 58.47 2k77 h LYS 97 Cb 0.58 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 31.13 2k77 h LYS 97 CO 0.04 0.55 -0.00 1.28 -1.08 0.00 0.00 179.45 180.23 2k77 n LEU 98 N -4.32 0.03 -0.81 2.94 4.32 -1.01 -4.94 117.00 113.22 2k77 n LEU 98 Ca 0.02 0.13 -0.11 0.00 -0.02 0.00 0.00 56.01 56.04 2k77 n LEU 98 Cb 0.20 -0.14 -0.05 0.00 -1.62 0.00 0.00 43.42 41.82 2k77 n LEU 98 CO 0.38 0.01 -0.10 0.61 -1.22 0.00 0.00 177.39 177.07 2k77 n GLY 99 N 1.14 1.17 3.85 -0.72 0.00 -0.46 -5.01 105.19 105.17 2k77 n GLY 99 Ca 0.19 -0.42 -0.32 0.00 0.00 0.00 0.00 46.02 45.47 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 3.39 -0.75 1.61 5.04 -0.34 -4.99 115.29 116.92 2k77 s HIS 100 Ca 0.00 1.23 0.26 0.00 -1.54 0.00 0.00 55.06 55.02 2k77 s HIS 100 Cb 0.00 -2.56 0.86 0.00 0.04 0.00 0.00 32.58 30.92 2k77 s HIS 100 CO 0.00 -0.00 1.79 0.43 -2.34 0.00 0.00 174.74 174.62 2k77 n SER 101 N -0.68 0.72 -3.59 9.88 7.64 -1.26 -4.52 113.62 121.81 2k77 n SER 101 Ca 0.04 0.57 -0.10 0.00 1.01 0.00 0.00 58.87 60.39 2k77 n SER 101 Cb 0.53 -0.76 -0.02 0.00 -1.01 0.00 0.00 64.21 62.95 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 -3.10 -0.40 -0.29 1.43 -0.85 -1.26 -4.74 117.35 108.14 2k77 s TYR 102 Ca 0.11 0.10 -0.23 0.00 -0.52 0.00 0.00 57.07 56.52 2k77 s TYR 102 Cb 0.13 0.60 -0.00 0.00 0.38 0.00 0.00 41.96 43.06 2k77 s TYR 102 CO 0.58 -0.98 0.77 0.08 -1.52 0.00 0.00 175.55 174.47 2k77 s VAL 103 N -3.81 4.83 0.72 -3.49 1.01 -0.04 -4.87 120.40 114.75 2k77 s VAL 103 Ca 0.05 1.23 -0.06 0.00 0.00 0.00 0.00 61.98 63.19 2k77 s VAL 103 Cb -0.03 -4.10 0.08 0.00 0.00 0.00 0.00 36.38 32.33 2k77 s VAL 103 CO -0.06 -0.17 1.03 -0.83 0.00 0.00 0.00 175.10 175.07 2k77 s GLY 104 N 1.55 1.72 0.25 4.51 0.00 -1.26 -0.94 107.32 113.15 2k77 s GLY 104 Ca 0.32 -1.08 -0.04 0.00 0.00 0.00 0.00 44.72 43.91 2k77 s GLY 104 CO 0.11 -0.63 1.87 -0.91 0.00 0.00 0.00 173.10 173.54 2k77 h THR 105 N -0.66 1.06 -0.43 0.90 1.35 -1.93 -1.48 112.91 111.72 2k77 h THR 105 Ca -0.43 -0.37 0.07 0.00 -0.55 0.00 0.00 66.41 65.13 2k77 h THR 105 Cb 1.30 -0.10 -0.09 0.00 -1.73 0.00 0.00 68.15 67.52 2k77 h THR 105 CO 0.55 0.20 -0.43 1.05 -0.25 0.00 0.00 175.52 176.63 2k77 h GLU 106 N 1.07 -0.30 -0.05 4.72 9.09 -1.94 -1.88 114.58 125.30 2k77 h GLU 106 Ca 0.40 0.02 -0.08 0.00 0.05 0.00 0.00 59.36 59.75 2k77 h GLU 106 Cb 0.17 0.07 -0.01 0.00 -1.65 0.00 0.00 28.75 27.33 2k77 h GLU 106 CO -0.17 -0.20 -0.35 0.45 0.05 0.00 0.00 179.01 178.78 2k77 h HIS 107 N -0.31 0.11 -0.37 2.06 3.86 -1.74 -1.57 115.15 117.19 2k77 h HIS 107 Ca 0.14 -0.02 0.02 0.00 -1.16 0.00 0.00 60.37 59.35 2k77 h HIS 107 Cb 0.58 -0.03 -0.03 0.00 1.06 0.00 0.00 27.41 29.00 2k77 h HIS 107 CO -0.64 0.44 0.21 0.82 0.86 0.00 0.00 177.93 179.62 2k77 h ILE 108 N 0.09 1.02 -0.46 2.45 2.04 -0.75 -0.42 117.51 121.48 2k77 h ILE 108 Ca 0.01 -0.15 -0.09 0.00 1.00 0.00 0.00 64.86 65.63 2k77 h ILE 108 Cb 0.67 0.56 -0.02 0.00 -0.74 0.00 0.00 36.82 37.30 2k77 h ILE 108 CO 0.05 0.08 -0.09 0.25 0.00 0.00 0.00 178.15 178.43 2k77 h LEU 109 N 0.42 0.81 -1.64 1.44 5.85 -0.80 0.14 115.31 121.53 2k77 h LEU 109 Ca 0.15 -0.24 0.01 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 109 Cb 0.02 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 2k77 h LEU 109 CO -0.08 0.93 0.26 -0.07 -0.34 0.00 0.00 178.44 179.14 2k77 h LEU 110 N 0.74 0.42 -0.21 2.25 3.38 -1.08 -1.81 115.31 119.00 2k77 h LEU 110 Ca 0.13 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 110 Cb 0.58 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.23 2k77 h LEU 110 CO 0.04 0.30 -0.13 1.23 0.09 0.00 0.00 178.44 179.96 2k77 h GLY 111 N 0.49 0.51 0.98 0.83 0.00 -0.21 -2.51 103.07 103.17 2k77 h GLY 111 Ca 0.15 -0.48 0.01 0.00 0.00 0.00 0.00 47.33 47.01 2k77 h GLY 111 CO -0.03 0.43 0.43 1.41 0.00 0.00 0.00 176.54 178.77 2k77 h LEU 112 N 0.17 0.73 -0.23 3.11 3.38 -0.55 -1.44 115.31 120.47 2k77 h LEU 112 Ca 0.04 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 112 Cb 0.64 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 112 CO 0.04 0.52 -0.29 0.16 0.09 0.00 0.00 178.44 178.96 2k77 h ILE 113 N 0.86 1.32 0.00 1.22 3.07 -1.44 -3.29 117.51 119.25 2k77 h ILE 113 Ca 0.24 -1.48 -0.03 0.00 1.55 0.00 0.00 64.86 65.14 2k77 h ILE 113 Cb -0.08 1.72 -0.00 0.00 -0.27 0.00 0.00 36.82 38.19 2k77 h ILE 113 CO -0.06 0.46 -0.16 -0.09 -1.05 0.00 0.00 178.15 177.25 2k77 h ARG 114 N 0.31 0.00 -0.32 0.16 9.65 -1.20 -2.52 114.38 120.47 2k77 h ARG 114 Ca 0.03 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.93 2k77 h ARG 114 Cb 0.86 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.42 2k77 h ARG 114 CO 0.07 0.16 0.16 1.49 2.80 0.00 0.00 179.97 184.64 2k77 h GLU 115 N 0.00 0.32 0.00 0.20 4.22 -1.33 -3.47 114.58 114.52 2k77 h GLU 115 Ca -0.00 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.42 2k77 h GLU 115 Cb 0.33 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2k77 h GLU 115 CO 0.02 0.21 0.00 0.41 -2.18 0.00 0.00 179.01 177.47 2k77 n GLY 116 N -1.19 2.43 0.00 1.92 0.00 -0.95 -4.71 105.19 102.69 2k77 n GLY 116 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 2.82 -0.64 1.61 1.02 -1.26 -4.90 120.64 117.29 2k77 n GLU 117 Ca 0.00 0.00 -0.30 0.00 -0.02 0.00 0.00 57.16 56.84 2k77 n GLU 117 Cb 0.00 -0.90 0.19 0.00 -0.02 0.00 0.00 31.44 30.71 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 -2.40 1.66 0.40 0.62 0.00 -1.26 -4.79 107.32 101.55 2k77 s GLY 118 Ca 0.00 0.47 0.08 0.00 0.00 0.00 0.00 44.72 45.27 2k77 s GLY 118 CO 0.00 0.95 2.01 -2.08 0.00 0.00 0.00 173.10 173.97 2k77 h VAL 119 N -2.05 1.02 -0.31 1.40 2.07 -1.97 -2.49 116.25 113.91 2k77 h VAL 119 Ca -0.47 -0.20 0.02 0.00 0.82 0.00 0.00 66.70 66.88 2k77 h VAL 119 Cb 1.28 0.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2k77 h VAL 119 CO 0.43 0.11 0.14 0.00 0.02 0.00 0.00 177.57 178.27 2k77 h ALA 120 N 1.68 0.38 -0.45 1.67 0.00 -1.91 0.14 119.26 120.77 2k77 h ALA 120 Ca 0.24 0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.13 2k77 h ALA 120 Cb 0.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 2k77 h ALA 120 CO -0.07 -0.24 0.14 0.00 0.00 0.00 0.00 179.25 179.08 2k77 h ALA 121 N 1.17 1.40 -0.28 0.00 0.00 -1.63 -2.11 119.26 117.81 2k77 h ALA 121 Ca 0.13 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 2k77 h ALA 121 Cb 0.06 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.65 2k77 h ALA 121 CO -0.10 0.44 0.05 -0.09 0.00 0.00 0.00 179.25 179.55 2k77 h ARG 122 N 0.65 0.47 -0.16 0.00 2.43 -1.02 -1.85 114.38 114.90 2k77 h ARG 122 Ca 0.15 -0.13 0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2k77 h ARG 122 Cb 0.20 -0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 2k77 h ARG 122 CO -0.01 0.58 0.06 0.28 -1.51 0.00 0.00 179.97 179.37 2k77 h VAL 123 N 0.29 0.97 -0.59 0.20 2.07 -0.62 -0.41 116.25 118.15 2k77 h VAL 123 Ca 0.09 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 123 Cb 0.34 0.82 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 2k77 h VAL 123 CO 0.01 0.02 0.39 -0.07 0.02 0.00 0.00 177.57 177.94 2k77 h LEU 124 N 0.14 0.67 -0.91 2.57 3.38 -1.32 -1.65 115.31 118.18 2k77 h LEU 124 Ca 0.07 -0.02 -0.11 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 124 Cb 0.04 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.60 2k77 h LEU 124 CO -0.07 0.48 -0.54 0.78 0.09 0.00 0.00 178.44 179.19 2k77 h ASN 125 N 0.79 0.00 -0.61 -0.43 2.35 -1.15 0.78 115.58 117.32 2k77 h ASN 125 Ca 0.22 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.89 2k77 h ASN 125 Cb -0.08 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 2k77 h ASN 125 CO -0.05 0.54 0.08 0.78 -1.65 0.00 0.00 177.43 177.14 2k77 h ASN 126 N 0.00 0.98 0.62 5.81 4.21 -0.69 -3.27 115.58 123.23 2k77 h ASN 126 Ca -0.01 -0.27 -0.24 0.00 1.21 0.00 0.00 56.30 57.00 2k77 h ASN 126 Cb 0.96 -0.26 -0.00 0.00 -1.12 0.00 0.00 38.32 37.90 2k77 h ASN 126 CO 0.07 1.00 -1.07 -0.07 -1.29 0.00 0.00 177.43 176.06 2k77 h LEU 127 N 0.92 0.35 0.00 1.61 3.38 -1.07 -3.48 115.31 117.02 2k77 h LEU 127 Ca 0.18 -0.34 0.00 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 127 Cb 0.45 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2k77 h LEU 127 CO 0.01 1.21 0.00 0.61 0.09 0.00 0.00 178.44 180.36 2k77 n GLY 128 N 1.25 0.27 3.83 0.83 0.00 -0.17 -5.10 105.19 106.11 2k77 n GLY 128 Ca -0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.07 4.88 0.45 1.61 1.01 0.09 -4.96 120.40 122.41 2k77 s VAL 129 Ca 0.00 0.94 0.06 0.00 0.00 0.00 0.00 61.98 62.98 2k77 s VAL 129 Cb 0.00 -3.78 -0.04 0.00 0.00 0.00 0.00 36.38 32.56 2k77 s VAL 129 CO 0.00 0.46 0.14 -0.94 0.00 0.00 0.00 175.10 174.76 2k77 s SER 130 N -1.31 4.29 0.24 3.32 1.04 -1.26 -3.01 113.70 117.00 2k77 s SER 130 Ca 0.30 -1.28 -0.06 0.00 0.48 0.00 0.00 55.95 55.40 2k77 s SER 130 Cb -0.17 -0.13 0.36 0.00 0.10 0.00 0.00 66.02 66.18 2k77 s SER 130 CO 0.17 -0.67 1.80 -0.07 0.98 0.00 0.00 173.24 175.46 2k77 h LEU 131 N 1.38 0.60 -0.31 2.42 4.07 -1.98 -1.52 115.31 119.98 2k77 h LEU 131 Ca -0.42 0.05 -0.10 0.00 0.08 0.00 0.00 57.88 57.49 2k77 h LEU 131 Cb 1.27 -0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.94 2k77 h LEU 131 CO 0.71 0.35 -0.20 -1.13 -1.08 0.00 0.00 178.44 177.09 2k77 h ASN 132 N 0.73 0.70 -0.32 -0.43 -0.73 -1.98 -0.03 115.58 113.52 2k77 h ASN 132 Ca 0.37 -0.43 -0.06 0.00 1.87 0.00 0.00 56.30 58.05 2k77 h ASN 132 Cb 0.34 -0.20 -0.01 0.00 0.27 0.00 0.00 38.32 38.72 2k77 h ASN 132 CO -0.24 0.98 -0.03 0.11 -0.37 0.00 0.00 177.43 177.88 2k77 h LYS 133 N 0.43 0.58 -0.23 6.67 1.57 -1.93 -1.13 116.57 122.53 2k77 h LYS 133 Ca 0.06 -0.20 -0.02 0.00 -1.87 0.00 0.00 60.65 58.62 2k77 h LYS 133 Cb 0.74 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 33.00 2k77 h LYS 133 CO 0.05 0.73 0.07 0.00 -0.57 0.00 0.00 179.45 179.74 2k77 h ALA 134 N 0.83 0.30 -0.00 3.86 0.00 -1.29 -2.53 119.26 120.42 2k77 h ALA 134 Ca 0.09 -0.14 0.03 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 134 Cb 0.49 -0.09 -0.05 0.00 0.00 0.00 0.00 17.79 18.14 2k77 h ALA 134 CO 0.02 -0.07 -0.26 0.00 0.00 0.00 0.00 179.25 178.94 2k77 h ARG 135 N 0.20 -0.39 -0.85 0.00 3.08 -0.93 -0.77 114.38 114.71 2k77 h ARG 135 Ca 0.07 0.03 -0.03 0.00 0.07 0.00 0.00 59.98 60.12 2k77 h ARG 135 Cb 0.24 0.09 -0.04 0.00 0.08 0.00 0.00 29.97 30.34 2k77 h ARG 135 CO -0.00 -0.26 0.41 0.37 -1.07 0.00 0.00 179.97 179.42 2k77 h GLN 136 N -0.40 1.23 -0.18 0.04 5.75 -1.16 0.14 115.11 120.52 2k77 h GLN 136 Ca 0.06 -0.18 -0.11 0.00 -0.15 0.00 0.00 58.65 58.27 2k77 h GLN 136 Cb 0.49 -0.22 0.00 0.00 1.07 0.00 0.00 27.48 28.82 2k77 h GLN 136 CO -0.23 0.94 -0.33 1.96 -2.65 0.00 0.00 178.83 178.52 2k77 h GLN 137 N 1.21 0.54 -0.30 1.69 1.08 -1.34 -2.35 115.11 115.63 2k77 h GLN 137 Ca 0.29 -0.34 -0.04 0.00 -1.45 0.00 0.00 58.65 57.11 2k77 h GLN 137 Cb 0.12 0.04 -0.01 0.00 -0.05 0.00 0.00 27.48 27.58 2k77 h GLN 137 CO -0.04 0.95 0.05 0.28 -0.95 0.00 0.00 178.83 179.12 2k77 h VAL 138 N 0.20 1.23 0.00 -0.54 2.07 -0.85 -0.22 116.25 118.14 2k77 h VAL 138 Ca 0.01 -0.81 -0.07 0.00 0.82 0.00 0.00 66.70 66.64 2k77 h VAL 138 Cb 0.92 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.86 2k77 h VAL 138 CO 0.07 0.27 -0.35 -0.07 0.02 0.00 0.00 177.57 177.51 2k77 h LEU 139 N 0.33 0.00 0.03 2.57 3.38 -0.82 -1.58 115.31 119.22 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 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 2k77 h LEU 139 CO 0.01 0.35 -0.01 1.56 0.09 0.00 0.00 178.44 180.44 2k77 h GLN 140 N 0.00 -0.04 0.00 1.13 4.20 -1.34 -3.39 115.11 115.67 2k77 h GLN 140 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 2k77 h GLN 140 Cb 0.73 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2k77 h GLN 140 CO 0.05 0.66 -0.05 1.25 -0.67 0.00 0.00 178.83 180.07 2k77 h LEU 141 N -0.87 0.00 0.00 1.46 5.85 -0.85 0.24 115.31 121.14 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 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 2k77 h LEU 141 CO 0.01 0.05 0.00 0.00 -0.34 0.00 0.00 178.44 178.15 2k77 n LEU 142 N -3.17 0.00 0.00 2.25 -0.00 -0.61 -4.70 117.00 110.77 2k77 n LEU 142 Ca 0.00 0.45 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 2k77 n LEU 142 Cb 0.32 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2k77 n LEU 142 CO 0.28 -0.25 0.00 0.61 -0.00 0.00 0.00 177.39 178.03 2k77 n GLY 143 N -0.16 0.00 0.08 1.47 0.00 -1.09 -5.04 105.19 100.45 2k77 n GLY 143 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.97 2k77 n GLY 143 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2k77 h SER 144 N 0.00 0.02 0.00 1.61 0.87 -1.26 -3.52 113.55 111.28 2k77 h SER 144 Ca 0.00 -0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.51 2k77 h SER 144 Cb 0.00 -0.01 0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2k77 h SER 144 CO 0.00 1.04 0.00 -3.20 -0.53 0.00 0.00 176.83 174.14