#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 3.32 0.11 2.12 0.00 -1.26 -5.01 119.30 118.58 2k77 s MET 2 Ca 0.00 1.16 -0.05 0.00 0.00 0.00 0.00 55.69 56.81 2k77 s MET 2 Cb 0.00 -2.03 -0.15 0.00 0.00 0.00 0.00 34.83 32.65 2k77 s MET 2 CO 0.00 -0.81 1.25 0.27 0.00 0.00 0.00 175.02 175.74 2k77 h PHE 3 N 0.35 0.58 0.00 3.16 -5.15 -1.98 -3.48 116.94 110.43 2k77 h PHE 3 Ca -0.47 -0.35 0.00 0.00 -0.20 0.00 0.00 57.97 56.96 2k77 h PHE 3 Cb 1.22 -0.05 0.00 0.00 0.22 0.00 0.00 35.95 37.33 2k77 h PHE 3 CO 0.59 1.19 0.00 0.41 -2.00 0.00 0.00 178.31 178.50 2k77 n GLY 4 N 1.12 0.42 3.74 6.09 0.00 -1.26 -4.99 105.19 110.32 2k77 n GLY 4 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 2k77 n GLY 4 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2k77 s ARG 5 N -0.61 4.74 0.08 1.61 0.52 -1.26 -5.00 118.95 119.03 2k77 s ARG 5 Ca 0.00 1.55 0.09 0.00 -0.52 0.00 0.00 55.73 56.85 2k77 s ARG 5 Cb 0.00 -3.30 -0.03 0.00 0.52 0.00 0.00 34.95 32.14 2k77 s ARG 5 CO 0.00 0.31 -0.25 -0.06 0.02 0.00 0.00 175.30 175.33 2k77 s PHE 6 N -0.64 2.14 0.97 -0.53 0.40 -1.26 -0.53 117.98 118.52 2k77 s PHE 6 Ca 0.45 -0.40 -0.12 0.00 -0.60 0.00 0.00 56.93 56.27 2k77 s PHE 6 Cb -0.26 -1.22 0.17 0.00 0.51 0.00 0.00 43.02 42.21 2k77 s PHE 6 CO 0.33 0.20 1.09 0.95 0.70 0.00 0.00 175.22 178.49 2k77 s THR 7 N -0.94 2.39 0.26 0.64 -4.23 -0.35 -4.73 115.64 108.68 2k77 s THR 7 Ca 0.11 0.13 -0.05 0.00 -1.18 0.00 0.00 61.69 60.70 2k77 s THR 7 Cb -0.10 -2.43 0.24 0.00 1.34 0.00 0.00 72.50 71.56 2k77 s THR 7 CO 0.04 -0.17 1.92 -0.08 -0.54 0.00 0.00 174.62 175.79 2k77 h GLU 8 N -1.87 1.20 -0.59 3.99 4.57 -1.99 0.17 114.58 120.07 2k77 h GLU 8 Ca -0.51 -0.10 -0.10 0.00 -1.18 0.00 0.00 59.36 57.47 2k77 h GLU 8 Cb 1.29 -0.26 -0.02 0.00 -0.16 0.00 0.00 28.75 29.61 2k77 h GLU 8 CO 0.51 0.83 -0.01 0.00 -1.18 0.00 0.00 179.01 179.16 2k77 h ARG 9 N 1.23 1.05 -0.33 1.92 2.47 -1.96 -1.43 114.38 117.33 2k77 h ARG 9 Ca 0.32 -0.34 -0.12 0.00 -1.26 0.00 0.00 59.98 58.59 2k77 h ARG 9 Cb -0.07 -0.09 -0.01 0.00 -1.65 0.00 0.00 29.97 28.15 2k77 h ARG 9 CO -0.06 1.04 -0.25 0.00 0.56 0.00 0.00 179.97 181.26 2k77 h ALA 10 N 0.97 0.47 -0.80 0.04 0.00 -1.75 -1.73 119.26 116.46 2k77 h ALA 10 Ca 0.17 -0.39 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2k77 h ALA 10 Cb 0.57 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 18.21 2k77 h ALA 10 CO 0.03 0.46 0.53 1.96 0.00 0.00 0.00 179.25 182.23 2k77 h GLN 11 N 0.51 0.94 -0.62 0.00 4.20 -0.96 -1.99 115.11 117.19 2k77 h GLN 11 Ca 0.06 -0.06 -0.08 0.00 0.06 0.00 0.00 58.65 58.63 2k77 h GLN 11 Cb 0.81 -0.21 -0.02 0.00 0.30 0.00 0.00 27.48 28.35 2k77 h GLN 11 CO 0.07 0.62 0.06 -0.22 -0.67 0.00 0.00 178.83 178.69 2k77 h LYS 12 N 0.97 1.05 -0.64 1.46 1.63 -0.85 0.11 116.57 120.30 2k77 h LYS 12 Ca 0.32 -0.31 -0.06 0.00 -0.85 0.00 0.00 60.65 59.76 2k77 h LYS 12 Cb 0.07 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.57 2k77 h LYS 12 CO -0.10 1.00 0.17 -0.39 -3.45 0.00 0.00 179.45 176.68 2k77 h VAL 13 N 0.96 1.25 -0.07 2.00 -1.51 -0.86 -0.59 116.25 117.43 2k77 h VAL 13 Ca 0.18 -0.89 -0.17 0.00 -1.23 0.00 0.00 66.70 64.60 2k77 h VAL 13 Cb 0.49 0.58 -0.01 0.00 -2.13 0.00 0.00 31.29 30.22 2k77 h VAL 13 CO 0.02 0.34 -0.69 -0.07 -1.23 0.00 0.00 177.57 175.94 2k77 h LEU 14 N 0.95 0.36 -0.49 4.19 3.38 -1.19 0.27 115.31 122.78 2k77 h LEU 14 Ca 0.20 -0.23 -0.13 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 14 Cb 0.32 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2k77 h LEU 14 CO -0.00 0.94 -0.20 0.00 0.09 0.00 0.00 178.44 179.27 2k77 h ALA 15 N 1.05 0.68 -0.14 1.53 0.00 -0.82 -3.03 119.26 118.55 2k77 h ALA 15 Ca -0.02 -0.39 -0.13 0.00 0.00 0.00 0.00 54.91 54.37 2k77 h ALA 15 Cb 1.24 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 2k77 h ALA 15 CO 0.11 0.66 -0.49 -0.07 0.00 0.00 0.00 179.25 179.47 2k77 h LEU 16 N 0.86 0.38 -1.33 0.00 3.38 -1.03 -3.04 115.31 114.54 2k77 h LEU 16 Ca 0.11 -0.19 0.06 0.00 0.09 0.00 0.00 57.88 57.96 2k77 h LEU 16 Cb 0.78 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 41.37 2k77 h LEU 16 CO 0.06 0.81 0.50 0.00 0.09 0.00 0.00 178.44 179.91 2k77 h ALA 17 N 1.20 1.66 -0.04 1.53 0.00 -0.87 0.44 119.26 123.19 2k77 h ALA 17 Ca 0.01 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 17 Cb 0.96 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.54 2k77 h ALA 17 CO 0.08 0.23 0.01 0.37 0.00 0.00 0.00 179.25 179.94 2k77 h GLN 18 N 0.82 0.06 -0.41 0.00 4.15 -1.42 -1.27 115.11 117.04 2k77 h GLN 18 Ca 0.33 -0.01 -0.12 0.00 0.77 0.00 0.00 58.65 59.61 2k77 h GLN 18 Cb 0.24 -0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 2k77 h GLN 18 CO -0.11 0.23 -0.24 0.93 -1.93 0.00 0.00 178.83 177.71 2k77 h GLU 19 N -0.13 0.83 -0.46 1.69 5.08 -1.36 -1.37 114.58 118.87 2k77 h GLU 19 Ca 0.01 -0.35 -0.10 0.00 -1.00 0.00 0.00 59.36 57.92 2k77 h GLU 19 Cb 0.19 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 2k77 h GLU 19 CO -0.00 0.98 -0.12 0.93 -1.00 0.00 0.00 179.01 179.80 2k77 h GLU 20 N 0.72 0.84 0.08 2.33 4.39 -0.96 -0.32 114.58 121.67 2k77 h GLU 20 Ca 0.09 -0.30 -0.00 0.00 0.34 0.00 0.00 59.36 59.49 2k77 h GLU 20 Cb 0.77 -0.06 0.00 0.00 -0.10 0.00 0.00 28.75 29.36 2k77 h GLU 20 CO 0.06 0.92 -0.04 0.00 -1.16 0.00 0.00 179.01 178.80 2k77 h ALA 21 N 1.10 -0.11 -0.20 3.43 0.00 -1.07 -2.96 119.26 119.46 2k77 h ALA 21 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 2k77 h ALA 21 Cb 0.63 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 2k77 h ALA 21 CO 0.04 -0.45 -0.06 -0.07 0.00 0.00 0.00 179.25 178.71 2k77 h LEU 22 N -0.32 0.29 -1.10 0.00 3.38 -1.12 0.34 115.31 116.77 2k77 h LEU 22 Ca -0.01 -0.05 0.02 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 22 Cb 0.28 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 40.90 2k77 h LEU 22 CO 0.02 0.39 0.61 -0.09 0.09 0.00 0.00 178.44 179.46 2k77 h ARG 23 N 0.30 1.18 -0.01 1.13 2.43 -1.02 -1.91 114.38 116.48 2k77 h ARG 23 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 2k77 h ARG 23 Cb 0.30 -0.27 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2k77 h ARG 23 CO 0.01 0.78 -0.01 1.28 -1.51 0.00 0.00 179.97 180.53 2k77 n LEU 24 N -4.41 0.52 0.00 3.80 4.77 -0.84 -4.92 117.00 115.91 2k77 n LEU 24 Ca 0.11 -0.16 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 2k77 n LEU 24 Cb 0.05 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2k77 n LEU 24 CO 0.36 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.12 2k77 n GLY 25 N 1.08 0.49 3.48 -0.72 0.00 -0.72 -0.92 105.19 107.89 2k77 n GLY 25 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.04 2.72 -0.12 1.61 3.76 0.05 -0.97 115.29 120.31 2k77 s HIS 26 Ca 0.00 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 54.58 2k77 s HIS 26 Cb 0.00 -4.18 0.14 0.00 1.11 0.00 0.00 32.58 29.65 2k77 s HIS 26 CO 0.00 -1.52 1.48 0.27 -0.85 0.00 0.00 174.74 174.12 2k77 n ASN 27 N 7.59 4.10 -3.88 1.40 6.94 -1.26 -2.90 115.26 127.25 2k77 n ASN 27 Ca -0.02 -2.50 -0.11 0.00 -0.02 0.00 0.00 54.58 51.93 2k77 n ASN 27 Cb 0.46 -0.75 -0.10 0.00 -2.36 0.00 0.00 39.78 37.03 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 0.67 0.04 -0.24 0.53 0.01 -1.26 -3.93 114.94 110.76 2k77 s ASN 28 Ca 0.14 -0.22 -0.15 0.00 -0.71 0.00 0.00 52.86 51.92 2k77 s ASN 28 Cb 0.12 0.20 -0.04 0.00 0.41 0.00 0.00 41.25 41.94 2k77 s ASN 28 CO 0.02 -0.36 0.38 -0.63 -1.51 0.00 0.00 177.10 175.00 2k77 s ILE 29 N -1.35 5.18 0.57 0.60 1.01 -0.08 -4.90 121.20 122.23 2k77 s ILE 29 Ca -0.14 0.62 0.08 0.00 0.00 0.00 0.00 60.65 61.21 2k77 s ILE 29 Cb -0.08 -3.71 0.07 0.00 0.01 0.00 0.00 42.46 38.76 2k77 s ILE 29 CO 0.01 0.19 0.65 -0.83 0.00 0.00 0.00 174.94 174.97 2k77 s GLY 30 N 1.39 1.97 0.26 6.18 0.00 -1.26 -1.38 107.32 114.48 2k77 s GLY 30 Ca 0.17 -1.80 -0.02 0.00 0.00 0.00 0.00 44.72 43.07 2k77 s GLY 30 CO 0.09 -1.80 1.83 -0.91 0.00 0.00 0.00 173.10 172.31 2k77 h THR 31 N 0.37 0.94 -0.67 0.90 1.35 -1.93 -1.89 112.91 111.97 2k77 h THR 31 Ca -0.32 -0.32 0.14 0.00 -0.55 0.00 0.00 66.41 65.36 2k77 h THR 31 Cb 1.30 -0.08 -0.10 0.00 -1.73 0.00 0.00 68.15 67.53 2k77 h THR 31 CO 0.47 0.17 0.12 1.05 -0.25 0.00 0.00 175.52 177.07 2k77 h GLU 32 N 0.94 0.22 0.00 4.72 9.09 -1.95 -1.14 114.58 126.46 2k77 h GLU 32 Ca 0.45 -0.01 -0.19 0.00 0.05 0.00 0.00 59.36 59.66 2k77 h GLU 32 Cb 0.39 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.43 2k77 h GLU 32 CO -0.25 0.14 -0.86 0.45 0.05 0.00 0.00 179.01 178.55 2k77 h HIS 33 N 0.22 0.15 -0.46 2.06 3.86 -1.71 -0.33 115.15 118.94 2k77 h HIS 33 Ca 0.37 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.41 2k77 h HIS 33 Cb 0.60 -0.02 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 2k77 h HIS 33 CO -0.29 0.91 -0.05 0.82 0.86 0.00 0.00 177.93 180.18 2k77 h ILE 34 N 0.05 1.27 -0.51 2.45 2.04 -1.18 0.10 117.51 121.73 2k77 h ILE 34 Ca -0.03 -1.14 -0.07 0.00 1.00 0.00 0.00 64.86 64.62 2k77 h ILE 34 Cb 1.50 1.07 -0.02 0.00 -0.74 0.00 0.00 36.82 38.63 2k77 h ILE 34 CO 0.12 0.39 0.06 0.25 0.00 0.00 0.00 178.15 178.98 2k77 h LEU 35 N 0.70 0.84 -0.86 1.44 5.85 -1.08 -0.97 115.31 121.23 2k77 h LEU 35 Ca 0.12 -0.27 -0.09 0.00 0.84 0.00 0.00 57.88 58.48 2k77 h LEU 35 Cb 0.58 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 2k77 h LEU 35 CO 0.03 0.90 -0.17 0.25 -0.34 0.00 0.00 178.44 179.12 2k77 h LEU 36 N 0.74 0.66 -0.85 2.25 5.85 -1.00 -2.46 115.31 120.50 2k77 h LEU 36 Ca 0.15 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.62 2k77 h LEU 36 Cb 0.43 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 2k77 h LEU 36 CO 0.01 0.84 0.27 1.23 -0.34 0.00 0.00 178.44 180.45 2k77 h GLY 37 N 0.98 1.20 0.65 3.75 0.00 -0.64 -0.89 103.07 108.13 2k77 h GLY 37 Ca 0.10 -0.67 0.02 0.00 0.00 0.00 0.00 47.33 46.78 2k77 h GLY 37 CO 0.04 0.63 -0.18 1.41 0.00 0.00 0.00 176.54 178.43 2k77 h LEU 38 N 1.08 -0.52 -0.90 3.11 3.38 -0.83 -1.06 115.31 119.58 2k77 h LEU 38 Ca 0.24 0.06 -0.10 0.00 0.09 0.00 0.00 57.88 58.18 2k77 h LEU 38 Cb 0.24 0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 2k77 h LEU 38 CO -0.02 -0.26 -0.46 -0.37 0.09 0.00 0.00 178.44 177.43 2k77 h VAL 39 N -0.34 1.09 -0.04 1.22 -1.51 -1.38 -0.68 116.25 114.61 2k77 h VAL 39 Ca 0.03 -1.71 -0.08 0.00 -1.23 0.00 0.00 66.70 63.71 2k77 h VAL 39 Cb 0.37 1.99 -0.01 0.00 -2.13 0.00 0.00 31.29 31.51 2k77 h VAL 39 CO -0.12 0.45 -0.35 -0.09 -1.23 0.00 0.00 177.57 176.23 2k77 h ARG 40 N 0.00 0.07 0.02 5.19 9.65 -1.00 -3.02 114.38 125.28 2k77 h ARG 40 Ca -0.00 -0.03 -0.00 0.00 -1.10 0.00 0.00 59.98 58.85 2k77 h ARG 40 Cb 0.95 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2k77 h ARG 40 CO 0.06 0.42 -0.01 1.49 2.80 0.00 0.00 179.97 184.73 2k77 h GLU 41 N 0.06 -0.02 0.00 0.20 4.22 -0.87 -3.48 114.58 114.69 2k77 h GLU 41 Ca 0.01 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2k77 h GLU 41 Cb 0.66 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.91 2k77 h GLU 41 CO 0.05 0.59 0.00 0.41 -2.18 0.00 0.00 179.01 177.88 2k77 n GLY 42 N 0.61 1.88 0.02 1.92 0.00 -0.29 -4.72 105.19 104.60 2k77 n GLY 42 Ca -0.09 0.00 -0.01 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 -1.92 2.22 -0.76 1.61 -0.58 -1.26 -4.38 120.64 115.56 2k77 n GLU 43 Ca 0.00 -0.02 -0.31 0.00 -0.42 0.00 0.00 57.16 56.41 2k77 n GLU 43 Cb 0.00 -1.16 0.16 0.00 -0.57 0.00 0.00 31.44 29.87 2k77 n GLU 43 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 2k77 s GLY 44 N -3.50 1.67 0.25 0.62 0.00 -1.26 -4.65 107.32 100.45 2k77 s GLY 44 Ca -0.03 0.48 -0.04 0.00 0.00 0.00 0.00 44.72 45.13 2k77 s GLY 44 CO 0.26 0.92 1.78 -2.22 0.00 0.00 0.00 173.10 173.84 2k77 h ILE 45 N -1.84 0.81 -0.32 0.90 1.08 -1.95 -0.22 117.51 115.97 2k77 h ILE 45 Ca -0.45 -0.22 -0.05 0.00 -0.39 0.00 0.00 64.86 63.75 2k77 h ILE 45 Cb 1.27 0.10 -0.01 0.00 -3.07 0.00 0.00 36.82 35.11 2k77 h ILE 45 CO 0.44 0.12 0.01 0.00 -0.69 0.00 0.00 178.15 178.03 2k77 h ALA 46 N 1.49 0.43 -0.41 1.87 0.00 -1.90 0.80 119.26 121.54 2k77 h ALA 46 Ca 0.41 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 55.01 2k77 h ALA 46 Cb 0.48 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2k77 h ALA 46 CO -0.30 0.17 -0.06 0.00 0.00 0.00 0.00 179.25 179.06 2k77 h ALA 47 N 0.86 1.13 -0.12 0.00 0.00 -1.66 -0.41 119.26 119.05 2k77 h ALA 47 Ca 0.09 -0.28 -0.12 0.00 0.00 0.00 0.00 54.91 54.61 2k77 h ALA 47 Cb 0.42 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2k77 h ALA 47 CO 0.01 0.55 -0.46 -0.22 0.00 0.00 0.00 179.25 179.14 2k77 h LYS 48 N 0.65 0.29 -0.44 0.00 3.64 -0.97 -1.82 116.57 117.93 2k77 h LYS 48 Ca 0.12 -0.16 -0.11 0.00 -1.27 0.00 0.00 60.65 59.24 2k77 h LYS 48 Cb 0.49 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 32.30 2k77 h LYS 48 CO 0.03 0.70 -0.14 0.00 -2.27 0.00 0.00 179.45 177.76 2k77 h ALA 49 N 1.28 0.61 -0.20 5.00 0.00 -0.37 0.36 119.26 125.94 2k77 h ALA 49 Ca 0.02 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.59 2k77 h ALA 49 Cb 0.90 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 2k77 h ALA 49 CO 0.07 0.53 0.10 -0.07 0.00 0.00 0.00 179.25 179.89 2k77 h LEU 50 N 0.70 0.16 -1.04 0.00 3.38 -0.99 -1.76 115.31 115.76 2k77 h LEU 50 Ca 0.11 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 50 Cb 0.69 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.40 2k77 h LEU 50 CO 0.05 0.12 -0.09 1.56 0.09 0.00 0.00 178.44 180.17 2k77 h GLN 51 N 0.22 0.58 -0.21 1.13 4.20 -1.27 -2.20 115.11 117.56 2k77 h GLN 51 Ca 0.08 -0.16 -0.06 0.00 0.06 0.00 0.00 58.65 58.56 2k77 h GLN 51 Cb 0.01 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 2k77 h GLN 51 CO -0.05 0.67 -0.14 0.00 -0.67 0.00 0.00 178.83 178.65 2k77 h ALA 52 N 1.37 1.38 0.00 3.87 0.00 -0.69 -1.84 119.26 123.35 2k77 h ALA 52 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 52 Cb 0.48 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2k77 h ALA 52 CO 0.03 0.43 0.00 1.28 0.00 0.00 0.00 179.25 180.98 2k77 n LEU 53 N -4.23 0.00 0.00 0.00 4.77 -0.68 -4.87 117.00 111.99 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 0.39 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.06 2k77 n GLY 54 N 0.32 0.72 2.09 -0.72 0.00 -0.69 -5.00 105.19 101.91 2k77 n GLY 54 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 2k77 n GLY 54 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k77 n LEU 55 N 0.00 0.00 -3.61 0.99 4.77 -0.86 -5.00 117.00 113.30 2k77 n LEU 55 Ca 0.00 -0.84 -0.02 0.00 -0.03 0.00 0.00 56.01 55.11 2k77 n LEU 55 Cb 0.00 -0.52 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 2k77 n LEU 55 CO 0.00 -0.98 1.01 -0.83 -1.33 0.00 0.00 177.39 175.26 2k77 s GLY 56 N -4.47 -0.34 0.23 -0.72 0.00 -1.26 -4.31 107.32 96.45 2k77 s GLY 56 Ca 0.40 1.20 -0.08 0.00 0.00 0.00 0.00 44.72 46.24 2k77 s GLY 56 CO 0.28 0.36 1.90 1.76 0.00 0.00 0.00 173.10 177.40 2k77 h SER 57 N 2.00 0.99 -0.58 1.64 0.02 -1.98 -1.74 113.55 113.90 2k77 h SER 57 Ca -0.18 -0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.65 2k77 h SER 57 Cb 1.18 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 63.46 2k77 h SER 57 CO 0.25 0.71 -0.02 -0.08 -1.14 0.00 0.00 176.83 176.56 2k77 h GLU 58 N 1.17 1.04 -0.34 3.45 4.81 -1.97 -0.31 114.58 122.43 2k77 h GLU 58 Ca 0.33 -0.34 -0.03 0.00 -0.13 0.00 0.00 59.36 59.18 2k77 h GLU 58 Cb -0.11 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.17 2k77 h GLU 58 CO -0.08 1.03 0.08 0.87 -0.73 0.00 0.00 179.01 180.18 2k77 h LYS 59 N 0.93 0.54 -0.18 1.92 1.57 -1.83 -0.81 116.57 118.71 2k77 h LYS 59 Ca 0.16 -0.13 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 2k77 h LYS 59 Cb 0.57 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.82 2k77 h LYS 59 CO 0.03 0.60 -0.44 0.82 -0.57 0.00 0.00 179.45 179.89 2k77 h ILE 60 N 0.39 1.33 -0.80 1.86 2.04 -1.32 -2.93 117.51 118.07 2k77 h ILE 60 Ca 0.11 -1.68 -0.03 0.00 1.00 0.00 0.00 64.86 64.25 2k77 h ILE 60 Cb 0.30 1.91 -0.04 0.00 -0.74 0.00 0.00 36.82 38.26 2k77 h ILE 60 CO 0.00 0.52 0.38 -0.61 0.00 0.00 0.00 178.15 178.44 2k77 h GLN 61 N 0.30 1.16 -0.05 2.37 4.15 -1.01 -0.53 115.11 121.49 2k77 h GLN 61 Ca -0.00 -0.17 0.03 0.00 0.77 0.00 0.00 58.65 59.28 2k77 h GLN 61 Cb 1.05 -0.21 -0.04 0.00 0.21 0.00 0.00 27.48 28.49 2k77 h GLN 61 CO 0.10 0.90 -0.21 -0.22 -1.93 0.00 0.00 178.83 177.47 2k77 h LYS 62 N 1.14 -0.29 -0.17 1.69 3.64 -1.17 -0.97 116.57 120.44 2k77 h LYS 62 Ca 0.27 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.51 2k77 h LYS 62 Cb 0.13 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2k77 h LYS 62 CO -0.03 -0.20 -0.57 0.93 -2.27 0.00 0.00 179.45 177.31 2k77 h GLU 63 N -0.30 0.52 0.61 1.90 4.39 -1.30 -0.73 114.58 119.67 2k77 h GLU 63 Ca 0.07 -0.34 -0.03 0.00 0.34 0.00 0.00 59.36 59.41 2k77 h GLU 63 Cb 0.41 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.10 2k77 h GLU 63 CO -0.23 0.95 -0.34 0.28 -1.16 0.00 0.00 179.01 178.51 2k77 h VAL 64 N 0.40 0.30 -0.55 3.13 2.07 -1.04 -2.45 116.25 118.11 2k77 h VAL 64 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 2k77 h VAL 64 Cb 1.11 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 31.16 2k77 h VAL 64 CO 0.10 0.00 0.22 -0.33 0.02 0.00 0.00 177.57 177.58 2k77 h GLU 65 N -0.89 0.80 -0.41 1.57 5.08 -1.12 -2.19 114.58 117.43 2k77 h GLU 65 Ca -0.08 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.12 2k77 h GLU 65 Cb 0.71 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.79 2k77 h GLU 65 CO 0.10 0.66 0.08 1.03 -1.00 0.00 0.00 179.01 179.89 2k77 h SER 66 N 0.79 0.57 1.15 1.42 0.87 -1.10 -0.28 113.55 116.97 2k77 h SER 66 Ca 0.19 -0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.57 2k77 h SER 66 Cb 0.16 -0.15 -0.02 0.00 -0.44 0.00 0.00 62.40 61.96 2k77 h SER 66 CO -0.02 0.58 -0.89 -0.07 -0.53 0.00 0.00 176.83 175.90 2k77 h LEU 67 N 0.60 0.00 0.00 2.23 3.38 -0.92 -3.40 115.31 117.20 2k77 h LEU 67 Ca 0.14 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 58.06 2k77 h LEU 67 Cb 0.25 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 2k77 h LEU 67 CO -0.00 0.37 -1.35 2.30 0.09 0.00 0.00 178.44 179.85 2k77 n ILE 68 N -2.97 0.18 -4.92 1.22 -5.35 -0.88 -5.11 119.36 101.53 2k77 n ILE 68 Ca -0.03 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.26 2k77 n ILE 68 Cb 0.71 -0.16 0.00 0.00 -1.74 0.00 0.00 39.64 38.45 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 2.34 -0.18 3.77 3.28 0.00 -0.12 -4.76 105.19 109.51 2k77 n GLY 69 Ca -0.05 -0.95 -0.40 0.00 0.00 0.00 0.00 46.02 44.62 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 4.18 0.11 1.61 1.70 -1.26 -4.99 118.95 120.30 2k77 s ARG 70 Ca 0.00 2.21 -0.02 0.00 -0.47 0.00 0.00 55.73 57.45 2k77 s ARG 70 Cb 0.00 -2.94 0.03 0.00 -0.57 0.00 0.00 34.95 31.47 2k77 s ARG 70 CO 0.00 -0.33 0.15 0.41 -1.08 0.00 0.00 175.30 174.45 2k77 n GLY 71 N 0.72 -1.13 0.18 3.88 0.00 -0.10 -4.99 105.19 103.76 2k77 n GLY 71 Ca 0.02 -1.68 0.07 0.00 0.00 0.00 0.00 46.02 44.43 2k77 n GLY 71 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2k77 h GLN 72 N 0.00 0.00 -6.29 1.61 7.50 -1.69 -3.45 115.11 112.78 2k77 h GLN 72 Ca -0.05 0.00 -0.40 0.00 0.50 0.00 0.00 58.65 58.70 2k77 h GLN 72 Cb 0.14 0.00 0.04 0.00 0.05 0.00 0.00 27.48 27.71 2k77 h GLN 72 CO 0.03 0.26 -0.85 -1.91 -1.50 0.00 0.00 178.83 174.87 2k77 n GLU 73 N -3.19 -1.19 -0.00 1.46 2.13 -0.14 -4.94 120.64 114.78 2k77 n GLU 73 Ca 0.03 0.63 0.02 0.00 0.66 0.00 0.00 57.16 58.50 2k77 n GLU 73 Cb 0.62 -3.78 -0.03 0.00 0.27 0.00 0.00 31.44 28.52 2k77 n GLU 73 CO 0.00 0.00 0.00 -1.33 -0.41 0.00 0.00 177.13 175.39 2k77 n MET 74 N -3.59 2.97 -3.99 5.31 2.81 -1.26 -5.06 117.12 114.30 2k77 n MET 74 Ca -0.13 -0.02 -0.31 0.00 -1.81 0.00 0.00 57.70 55.43 2k77 n MET 74 Cb 0.60 -0.91 0.01 0.00 -0.71 0.00 0.00 33.22 32.20 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N -1.37 -3.76 -1.67 7.83 7.64 -1.26 -4.89 113.62 116.13 2k77 n SER 75 Ca 0.00 -0.87 0.05 0.00 1.01 0.00 0.00 58.87 59.06 2k77 n SER 75 Cb 0.10 -3.51 0.33 0.00 -1.01 0.00 0.00 64.21 60.13 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k77 n GLN 76 N -4.55 4.17 -1.48 1.43 -0.00 -1.26 -5.05 117.38 110.64 2k77 n GLN 76 Ca -0.00 -2.61 0.19 0.00 -0.00 0.00 0.00 57.00 54.58 2k77 n GLN 76 Cb 0.54 -2.14 -0.08 0.00 -0.00 0.00 0.00 30.24 28.57 2k77 n GLN 76 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 2k77 n THR 77 N 0.47 -0.28 -2.64 -0.39 5.66 -1.26 -4.96 114.28 110.87 2k77 n THR 77 Ca 0.24 0.64 -0.38 0.00 -3.05 0.00 0.00 64.05 61.50 2k77 n THR 77 Cb 1.06 -1.14 -0.05 0.00 -1.55 0.00 0.00 70.33 68.64 2k77 n THR 77 CO 0.00 0.00 0.00 -0.63 -3.05 0.00 0.00 175.07 171.39 2k77 s ILE 78 N -3.60 3.90 0.04 1.09 -1.09 -1.26 -4.72 121.20 115.56 2k77 s ILE 78 Ca 0.00 1.62 -0.00 0.00 -2.23 0.00 0.00 60.65 60.04 2k77 s ILE 78 Cb 0.00 -3.92 -0.03 0.00 -1.58 0.00 0.00 42.46 36.93 2k77 s ILE 78 CO 0.00 0.17 -0.03 -2.28 -1.23 0.00 0.00 174.94 171.57 2k77 s HIS 79 N -1.50 0.47 -0.07 3.97 5.65 -1.25 -5.01 115.29 117.54 2k77 s HIS 79 Ca 0.51 -0.88 -0.12 0.00 0.25 0.00 0.00 55.06 54.82 2k77 s HIS 79 Cb -0.23 -0.34 -0.05 0.00 -1.18 0.00 0.00 32.58 30.78 2k77 s HIS 79 CO 0.29 -0.30 0.30 0.71 -0.65 0.00 0.00 174.74 175.09 2k77 s TYR 80 N -3.06 3.63 0.86 3.88 1.51 -1.26 -0.90 117.35 122.01 2k77 s TYR 80 Ca -0.00 0.76 -0.11 0.00 -1.01 0.00 0.00 57.07 56.71 2k77 s TYR 80 Cb 0.02 -2.19 0.11 0.00 -0.11 0.00 0.00 41.96 39.79 2k77 s TYR 80 CO -0.07 0.59 1.10 0.95 -1.11 0.00 0.00 175.55 177.01 2k77 s THR 81 N -0.72 2.78 0.45 -0.71 -4.23 -0.48 -4.77 115.64 107.96 2k77 s THR 81 Ca 0.19 0.25 0.17 0.00 -1.18 0.00 0.00 61.69 61.12 2k77 s THR 81 Cb -0.14 -2.60 0.35 0.00 1.34 0.00 0.00 72.50 71.44 2k77 s THR 81 CO 0.08 -0.33 1.97 -0.65 -0.54 0.00 0.00 174.62 175.15 2k77 h PRO 82 N -1.51 0.31 0.03 3.99 0.11 -1.99 0.18 132.00 133.13 2k77 h PRO 82 Ca -0.46 -0.02 -0.24 0.00 0.11 0.00 0.00 66.00 65.40 2k77 h PRO 82 Cb 1.26 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.30 2k77 h PRO 82 CO 0.50 0.21 -1.00 0.00 -0.21 0.00 0.00 178.00 177.49 2k77 h ARG 83 N 0.32 0.39 -0.46 1.05 3.08 -1.94 -1.21 114.38 115.61 2k77 h ARG 83 Ca 0.30 -0.45 -0.12 0.00 0.07 0.00 0.00 59.98 59.77 2k77 h ARG 83 Cb 0.73 0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.90 2k77 h ARG 83 CO -0.07 1.13 -0.20 0.00 -1.07 0.00 0.00 179.97 179.76 2k77 h ALA 84 N 0.70 0.78 -0.63 0.04 0.00 -1.65 -0.07 119.26 118.44 2k77 h ALA 84 Ca -0.09 -0.38 0.02 0.00 0.00 0.00 0.00 54.91 54.46 2k77 h ALA 84 Cb 1.65 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 19.24 2k77 h ALA 84 CO 0.17 0.66 0.41 -0.22 0.00 0.00 0.00 179.25 180.27 2k77 h LYS 85 N 0.80 0.79 -0.68 0.00 3.64 -1.00 -0.61 116.57 119.52 2k77 h LYS 85 Ca 0.11 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.45 2k77 h LYS 85 Cb 0.75 -0.18 -0.03 0.00 -0.41 0.00 0.00 32.23 32.35 2k77 h LYS 85 CO 0.06 0.52 0.44 -0.22 -2.27 0.00 0.00 179.45 177.99 2k77 h LYS 86 N 0.82 0.90 -0.17 1.90 3.64 -1.01 -1.35 116.57 121.31 2k77 h LYS 86 Ca 0.24 -0.06 0.02 0.00 -1.27 0.00 0.00 60.65 59.58 2k77 h LYS 86 Cb -0.05 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.55 2k77 h LYS 86 CO -0.07 0.61 0.04 0.28 -2.27 0.00 0.00 179.45 178.04 2k77 h VAL 87 N 0.93 0.94 -0.45 2.00 2.07 -0.60 -0.32 116.25 120.82 2k77 h VAL 87 Ca 0.25 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.75 2k77 h VAL 87 Cb -0.09 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 30.46 2k77 h VAL 87 CO -0.05 0.02 0.26 0.40 0.02 0.00 0.00 177.57 178.22 2k77 h ILE 88 N 0.12 1.03 -0.47 4.57 1.08 -0.80 0.12 117.51 123.16 2k77 h ILE 88 Ca 0.07 -0.18 -0.10 0.00 -0.39 0.00 0.00 64.86 64.26 2k77 h ILE 88 Cb 0.06 0.47 -0.01 0.00 -3.07 0.00 0.00 36.82 34.26 2k77 h ILE 88 CO -0.09 0.09 -0.10 -0.33 -0.69 0.00 0.00 178.15 177.03 2k77 h GLU 89 N 0.52 0.91 -0.34 2.37 5.08 -1.14 -2.14 114.58 119.83 2k77 h GLU 89 Ca 0.18 -0.34 -0.10 0.00 -1.00 0.00 0.00 59.36 58.10 2k77 h GLU 89 Cb 0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2k77 h GLU 89 CO -0.09 0.99 -0.20 -0.07 -1.00 0.00 0.00 179.01 178.64 2k77 h LEU 90 N 0.76 0.64 -0.39 1.33 3.38 -0.78 -1.03 115.31 119.22 2k77 h LEU 90 Ca 0.12 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 57.86 2k77 h LEU 90 Cb 0.65 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.21 2k77 h LEU 90 CO 0.04 0.84 0.16 0.28 0.09 0.00 0.00 178.44 179.85 2k77 h SER 91 N 0.57 0.53 -0.20 -0.43 0.02 -0.68 -0.86 113.55 112.50 2k77 h SER 91 Ca 0.09 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.77 2k77 h SER 91 Cb 0.65 -0.14 -0.01 0.00 0.14 0.00 0.00 62.40 63.04 2k77 h SER 91 CO 0.05 0.55 -0.22 -0.03 -1.14 0.00 0.00 176.83 176.04 2k77 h MET 92 N 0.48 0.64 -0.07 3.45 1.85 -1.26 -1.36 114.93 118.67 2k77 h MET 92 Ca 0.13 -0.24 -0.12 0.00 -0.61 0.00 0.00 59.70 58.85 2k77 h MET 92 Cb 0.18 -0.04 -0.01 0.00 0.43 0.00 0.00 31.60 32.16 2k77 h MET 92 CO -0.01 0.81 -0.51 0.22 -0.40 0.00 0.00 176.91 177.02 2k77 h ASP 93 N 0.57 0.19 -0.16 1.39 3.58 -1.00 0.15 116.42 121.14 2k77 h ASP 93 Ca 0.08 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.38 2k77 h ASP 93 Cb 0.68 -0.05 -0.00 0.00 1.72 0.00 0.00 39.33 41.67 2k77 h ASP 93 CO 0.05 0.67 -0.14 -0.33 -2.88 0.00 0.00 179.24 176.62 2k77 h GLU 94 N 0.14 0.37 -0.66 0.28 4.39 -1.01 -2.49 114.58 115.60 2k77 h GLU 94 Ca 0.00 -0.19 0.04 0.00 0.34 0.00 0.00 59.36 59.56 2k77 h GLU 94 Cb 0.95 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.57 2k77 h GLU 94 CO 0.08 0.73 0.43 0.00 -1.16 0.00 0.00 179.01 179.09 2k77 h ALA 95 N 0.63 1.66 0.21 3.43 0.00 -1.11 -0.94 119.26 123.14 2k77 h ALA 95 Ca 0.03 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 95 Cb 0.66 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.24 2k77 h ALA 95 CO 0.03 0.26 -0.10 -0.09 0.00 0.00 0.00 179.25 179.36 2k77 h ARG 96 N 0.76 -0.27 0.00 0.00 2.43 -0.98 -1.38 114.38 114.94 2k77 h ARG 96 Ca 0.27 0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.36 2k77 h ARG 96 Cb 0.11 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 2k77 h ARG 96 CO -0.08 -0.05 -0.47 0.87 -1.51 0.00 0.00 179.97 178.73 2k77 h LYS 97 N -0.46 0.00 -0.00 0.20 1.57 -1.12 -2.10 116.57 114.67 2k77 h LYS 97 Ca -0.03 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2k77 h LYS 97 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.66 2k77 h LYS 97 CO 0.05 0.47 -0.02 1.28 -0.57 0.00 0.00 179.45 180.66 2k77 n LEU 98 N -3.72 0.06 -0.22 2.94 4.32 -0.38 -4.96 117.00 115.04 2k77 n LEU 98 Ca -0.01 0.27 -0.03 0.00 -0.02 0.00 0.00 56.01 56.23 2k77 n LEU 98 Cb 0.53 -0.29 -0.01 0.00 -1.62 0.00 0.00 43.42 42.03 2k77 n LEU 98 CO 0.39 0.01 -0.03 0.61 -1.22 0.00 0.00 177.39 177.16 2k77 n GLY 99 N 1.31 0.50 0.08 -0.72 0.00 -0.79 -4.96 105.19 100.60 2k77 n GLY 99 Ca 0.13 -0.92 -0.05 0.00 0.00 0.00 0.00 46.02 45.18 2k77 n GLY 99 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 2k77 h HIS 100 N 0.00 0.00 -0.68 1.61 3.86 -1.51 -3.48 115.15 114.95 2k77 h HIS 100 Ca -0.05 0.00 -0.22 0.00 -1.16 0.00 0.00 60.37 58.94 2k77 h HIS 100 Cb 0.38 0.00 -0.09 0.00 1.06 0.00 0.00 27.41 28.77 2k77 h HIS 100 CO 0.07 0.90 -0.20 0.43 0.86 0.00 0.00 177.93 179.99 2k77 n SER 101 N -3.42 -4.90 -3.61 2.45 7.64 -1.25 -4.94 113.62 105.58 2k77 n SER 101 Ca -0.00 0.26 -0.16 0.00 1.01 0.00 0.00 58.87 59.98 2k77 n SER 101 Cb 0.87 -3.77 -0.07 0.00 -1.01 0.00 0.00 64.21 60.23 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 -1.85 -0.49 -0.34 1.43 -0.85 -1.26 -4.64 117.35 109.35 2k77 s TYR 102 Ca 0.00 0.86 -0.21 0.00 -0.52 0.00 0.00 57.07 57.20 2k77 s TYR 102 Cb 0.00 0.29 0.00 0.00 0.38 0.00 0.00 41.96 42.63 2k77 s TYR 102 CO 0.00 -0.51 0.66 0.08 -1.52 0.00 0.00 175.55 174.26 2k77 s VAL 103 N -1.13 4.88 0.78 -3.49 1.01 0.31 -4.85 120.40 117.90 2k77 s VAL 103 Ca -0.11 0.70 -0.08 0.00 0.00 0.00 0.00 61.98 62.48 2k77 s VAL 103 Cb -0.02 -4.08 0.11 0.00 0.00 0.00 0.00 36.38 32.39 2k77 s VAL 103 CO 0.07 -0.29 1.11 -0.83 0.00 0.00 0.00 175.10 175.16 2k77 s GLY 104 N 1.76 1.72 0.27 4.51 0.00 -1.26 -1.21 107.32 113.12 2k77 s GLY 104 Ca 0.26 -1.13 -0.03 0.00 0.00 0.00 0.00 44.72 43.81 2k77 s GLY 104 CO 0.14 -0.59 1.93 -0.91 0.00 0.00 0.00 173.10 173.67 2k77 h THR 105 N -0.90 1.18 -0.38 0.90 1.35 -1.93 -1.64 112.91 111.49 2k77 h THR 105 Ca -0.43 -0.41 0.08 0.00 -0.55 0.00 0.00 66.41 65.09 2k77 h THR 105 Cb 1.29 -0.14 -0.09 0.00 -1.73 0.00 0.00 68.15 67.48 2k77 h THR 105 CO 0.51 0.22 -0.29 1.05 -0.25 0.00 0.00 175.52 176.75 2k77 h GLU 106 N 1.21 -0.23 -0.08 4.72 9.09 -1.94 -1.61 114.58 125.73 2k77 h GLU 106 Ca 0.37 0.02 -0.09 0.00 0.05 0.00 0.00 59.36 59.71 2k77 h GLU 106 Cb -0.02 0.05 -0.01 0.00 -1.65 0.00 0.00 28.75 27.12 2k77 h GLU 106 CO -0.11 -0.15 -0.35 0.45 0.05 0.00 0.00 179.01 178.90 2k77 h HIS 107 N -0.24 0.19 -0.25 2.06 3.86 -1.76 -0.95 115.15 118.07 2k77 h HIS 107 Ca 0.17 -0.04 0.00 0.00 -1.16 0.00 0.00 60.37 59.34 2k77 h HIS 107 Cb 0.52 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 28.93 2k77 h HIS 107 CO -0.50 0.51 0.16 0.82 0.86 0.00 0.00 177.93 179.77 2k77 h ILE 108 N 0.15 1.08 -0.53 2.45 2.04 -0.84 -0.32 117.51 121.54 2k77 h ILE 108 Ca 0.02 -0.18 -0.06 0.00 1.00 0.00 0.00 64.86 65.63 2k77 h ILE 108 Cb 0.70 0.75 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 2k77 h ILE 108 CO 0.05 0.08 0.09 0.25 0.00 0.00 0.00 178.15 178.62 2k77 h LEU 109 N 0.32 0.84 -1.12 1.44 5.85 -0.89 -1.07 115.31 120.69 2k77 h LEU 109 Ca 0.09 -0.26 0.09 0.00 0.84 0.00 0.00 57.88 58.64 2k77 h LEU 109 Cb -0.01 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.73 2k77 h LEU 109 CO -0.02 0.89 0.60 -0.07 -0.34 0.00 0.00 178.44 179.50 2k77 h LEU 110 N 0.76 0.89 -0.63 2.25 3.38 -1.05 -1.48 115.31 119.44 2k77 h LEU 110 Ca 0.16 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.13 2k77 h LEU 110 Cb 0.41 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 2k77 h LEU 110 CO 0.01 0.53 0.31 1.23 0.09 0.00 0.00 178.44 180.61 2k77 h GLY 111 N 0.99 0.96 0.96 0.83 0.00 -0.50 -0.81 103.07 105.50 2k77 h GLY 111 Ca 0.43 -0.47 -0.01 0.00 0.00 0.00 0.00 47.33 47.27 2k77 h GLY 111 CO -0.19 0.45 0.19 1.41 0.00 0.00 0.00 176.54 178.41 2k77 h LEU 112 N 0.86 0.50 -0.51 3.11 3.38 -0.23 -0.97 115.31 121.44 2k77 h LEU 112 Ca 0.22 -0.12 -0.17 0.00 0.09 0.00 0.00 57.88 57.90 2k77 h LEU 112 Cb 0.11 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2k77 h LEU 112 CO -0.03 0.47 -0.65 0.16 0.09 0.00 0.00 178.44 178.49 2k77 h ILE 113 N 0.48 1.37 0.00 1.22 3.07 -1.35 -3.24 117.51 119.07 2k77 h ILE 113 Ca 0.13 -2.02 -0.05 0.00 1.55 0.00 0.00 64.86 64.48 2k77 h ILE 113 Cb 0.10 2.01 -0.01 0.00 -0.27 0.00 0.00 36.82 38.65 2k77 h ILE 113 CO -0.02 0.61 -0.23 -0.09 -1.05 0.00 0.00 178.15 177.37 2k77 h ARG 114 N 0.27 0.00 -0.61 0.16 2.43 -0.96 -3.05 114.38 112.62 2k77 h ARG 114 Ca -0.01 0.00 -0.02 0.00 -0.81 0.00 0.00 59.98 59.13 2k77 h ARG 114 Cb 1.19 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 2k77 h ARG 114 CO 0.11 0.23 0.29 1.49 -1.51 0.00 0.00 179.97 180.57 2k77 h GLU 115 N 0.00 0.88 0.00 0.20 4.22 -1.20 -3.47 114.58 115.21 2k77 h GLU 115 Ca -0.00 -0.13 0.00 0.00 0.08 0.00 0.00 59.36 59.31 2k77 h GLU 115 Cb 0.72 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.81 2k77 h GLU 115 CO 0.03 0.71 0.00 0.41 -2.18 0.00 0.00 179.01 177.98 2k77 n GLY 116 N -0.93 0.94 0.00 1.92 0.00 -1.16 -4.74 105.19 101.22 2k77 n GLY 116 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 1.54 -0.95 1.61 1.02 -1.26 -4.99 120.64 115.61 2k77 n GLU 117 Ca 0.00 0.00 -0.29 0.00 -0.02 0.00 0.00 57.16 56.85 2k77 n GLU 117 Cb 0.00 -0.73 0.22 0.00 -0.02 0.00 0.00 31.44 30.91 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 -2.16 1.55 0.32 0.62 0.00 -1.26 -4.84 107.32 101.54 2k77 s GLY 118 Ca 0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 44.72 44.24 2k77 s GLY 118 CO 0.00 0.25 1.98 -2.08 0.00 0.00 0.00 173.10 173.25 2k77 h VAL 119 N -2.33 1.18 -0.61 1.40 2.07 -1.98 -2.81 116.25 113.18 2k77 h VAL 119 Ca -0.54 -0.35 0.04 0.00 0.82 0.00 0.00 66.70 66.67 2k77 h VAL 119 Cb 1.33 0.07 -0.05 0.00 -1.52 0.00 0.00 31.29 31.13 2k77 h VAL 119 CO 0.50 0.19 0.35 0.00 0.02 0.00 0.00 177.57 178.62 2k77 h ALA 120 N 1.53 0.79 -0.52 1.67 0.00 -1.92 0.12 119.26 120.93 2k77 h ALA 120 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.13 2k77 h ALA 120 Cb -0.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2k77 h ALA 120 CO -0.06 0.05 0.05 0.00 0.00 0.00 0.00 179.25 179.29 2k77 h ALA 121 N 1.29 1.11 -0.30 0.00 0.00 -1.70 -2.68 119.26 116.99 2k77 h ALA 121 Ca 0.26 -0.25 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 2k77 h ALA 121 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.67 2k77 h ALA 121 CO -0.14 0.58 -0.48 0.00 0.00 0.00 0.00 179.25 179.21 2k77 h ARG 122 N 0.80 0.81 -0.17 0.00 3.08 -1.14 -2.42 114.38 115.33 2k77 h ARG 122 Ca 0.16 -0.47 0.03 0.00 0.07 0.00 0.00 59.98 59.78 2k77 h ARG 122 Cb 0.40 0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.46 2k77 h ARG 122 CO 0.01 1.10 -0.03 0.28 -1.07 0.00 0.00 179.97 180.26 2k77 h VAL 123 N 0.64 0.84 -0.60 2.04 2.07 -0.72 0.10 116.25 120.63 2k77 h VAL 123 Ca 0.03 -0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.54 2k77 h VAL 123 Cb 1.06 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.63 2k77 h VAL 123 CO 0.11 0.00 0.35 -0.07 0.02 0.00 0.00 177.57 177.98 2k77 h LEU 124 N 0.01 0.73 -0.91 2.57 3.38 -1.45 -1.98 115.31 117.67 2k77 h LEU 124 Ca 0.08 -0.07 -0.11 0.00 0.09 0.00 0.00 57.88 57.87 2k77 h LEU 124 Cb 0.12 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 2k77 h LEU 124 CO -0.16 0.59 -0.41 0.78 0.09 0.00 0.00 178.44 179.33 2k77 h ASN 125 N 0.81 0.30 -0.69 -0.43 2.35 -1.20 0.38 115.58 117.10 2k77 h ASN 125 Ca 0.21 -0.13 -0.07 0.00 -0.55 0.00 0.00 56.30 55.77 2k77 h ASN 125 Cb 0.00 -0.08 -0.03 0.00 0.05 0.00 0.00 38.32 38.26 2k77 h ASN 125 CO -0.04 0.68 0.17 0.78 -1.65 0.00 0.00 177.43 177.37 2k77 h ASN 126 N 0.24 1.05 0.60 5.81 4.21 -0.68 -3.18 115.58 123.62 2k77 h ASN 126 Ca 0.02 -0.23 -0.21 0.00 1.21 0.00 0.00 56.30 57.09 2k77 h ASN 126 Cb 0.82 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 37.74 2k77 h ASN 126 CO 0.07 1.01 -0.93 -0.07 -1.29 0.00 0.00 177.43 176.22 2k77 h LEU 127 N 1.04 0.28 0.00 1.61 3.38 -1.13 -3.48 115.31 117.01 2k77 h LEU 127 Ca 0.22 -0.24 0.00 0.00 0.09 0.00 0.00 57.88 57.95 2k77 h LEU 127 Cb 0.37 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.03 2k77 h LEU 127 CO 0.00 1.06 0.00 0.61 0.09 0.00 0.00 178.44 180.20 2k77 n GLY 128 N 0.98 0.08 3.78 0.83 0.00 -0.10 -5.10 105.19 105.67 2k77 n GLY 128 Ca -0.04 0.00 -0.39 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 4.40 0.42 1.61 1.01 -0.07 -4.94 120.40 121.77 2k77 s VAL 129 Ca 0.00 1.62 0.07 0.00 0.00 0.00 0.00 61.98 63.67 2k77 s VAL 129 Cb 0.00 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2k77 s VAL 129 CO 0.00 0.44 0.22 -0.94 0.00 0.00 0.00 175.10 174.82 2k77 s SER 130 N -1.27 4.51 0.25 3.32 1.04 -1.26 -2.95 113.70 117.34 2k77 s SER 130 Ca 0.38 -1.05 -0.03 0.00 0.48 0.00 0.00 55.95 55.73 2k77 s SER 130 Cb -0.22 -0.42 0.51 0.00 0.10 0.00 0.00 66.02 65.99 2k77 s SER 130 CO 0.25 -0.60 1.73 0.25 0.98 0.00 0.00 173.24 175.85 2k77 h LEU 131 N 1.33 0.33 -0.15 2.42 6.46 -1.97 -1.33 115.31 122.41 2k77 h LEU 131 Ca -0.42 0.11 -0.13 0.00 -0.12 0.00 0.00 57.88 57.32 2k77 h LEU 131 Cb 1.26 0.08 0.00 0.00 -0.73 0.00 0.00 40.66 41.27 2k77 h LEU 131 CO 0.68 0.11 -0.42 0.78 -0.62 0.00 0.00 178.44 178.97 2k77 h ASN 132 N 0.47 0.63 -0.32 1.25 2.35 -1.98 -1.35 115.58 116.62 2k77 h ASN 132 Ca 0.44 -0.59 -0.04 0.00 -0.55 0.00 0.00 56.30 55.56 2k77 h ASN 132 Cb 0.69 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 2k77 h ASN 132 CO -0.41 1.11 0.04 0.11 -1.65 0.00 0.00 177.43 176.62 2k77 h LYS 133 N 0.18 0.54 -0.42 0.81 1.79 -1.90 -0.77 116.57 116.80 2k77 h LYS 133 Ca -0.01 -0.15 -0.09 0.00 -2.18 0.00 0.00 60.65 58.22 2k77 h LYS 133 Cb 1.04 -0.06 -0.01 0.00 -1.58 0.00 0.00 32.23 31.62 2k77 h LYS 133 CO 0.09 0.64 -0.09 0.00 -1.08 0.00 0.00 179.45 179.01 2k77 h ALA 134 N 0.88 0.58 -0.00 3.86 0.00 -1.33 -2.21 119.26 121.04 2k77 h ALA 134 Ca 0.10 -0.32 0.03 0.00 0.00 0.00 0.00 54.91 54.72 2k77 h ALA 134 Cb 0.37 -0.15 -0.04 0.00 0.00 0.00 0.00 17.79 17.97 2k77 h ALA 134 CO 0.01 0.45 -0.18 0.00 0.00 0.00 0.00 179.25 179.53 2k77 h ARG 135 N 0.63 -0.29 -0.56 0.00 3.08 -1.16 -1.46 114.38 114.63 2k77 h ARG 135 Ca 0.11 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.17 2k77 h ARG 135 Cb 0.62 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.71 2k77 h ARG 135 CO 0.04 -0.19 0.31 0.37 -1.07 0.00 0.00 179.97 179.43 2k77 h GLN 136 N -0.30 0.77 -0.19 0.04 5.75 -1.07 0.26 115.11 120.37 2k77 h GLN 136 Ca 0.06 -0.08 -0.18 0.00 -0.15 0.00 0.00 58.65 58.30 2k77 h GLN 136 Cb 0.37 -0.15 -0.00 0.00 1.07 0.00 0.00 27.48 28.76 2k77 h GLN 136 CO -0.17 0.58 -0.60 1.96 -2.65 0.00 0.00 178.83 177.94 2k77 h GLN 137 N 0.75 0.64 -0.22 1.69 1.08 -1.35 -1.54 115.11 116.16 2k77 h GLN 137 Ca 0.20 -0.43 -0.08 0.00 -1.45 0.00 0.00 58.65 56.89 2k77 h GLN 137 Cb 0.03 0.06 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 2k77 h GLN 137 CO -0.03 1.05 -0.16 0.28 -0.95 0.00 0.00 178.83 179.02 2k77 h VAL 138 N 0.48 1.31 0.00 -0.54 2.07 -1.06 -0.35 116.25 118.15 2k77 h VAL 138 Ca -0.00 -1.27 -0.06 0.00 0.82 0.00 0.00 66.70 66.19 2k77 h VAL 138 Cb 1.17 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 2k77 h VAL 138 CO 0.12 0.39 -0.27 -0.07 0.02 0.00 0.00 177.57 177.76 2k77 h LEU 139 N 0.20 0.00 0.00 2.57 3.38 -0.97 -2.12 115.31 118.36 2k77 h LEU 139 Ca 0.04 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.01 2k77 h LEU 139 Cb 0.68 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.43 2k77 h LEU 139 CO 0.04 0.27 -0.00 -0.61 0.09 0.00 0.00 178.44 178.23 2k77 h GLN 140 N 0.00 -0.00 0.00 1.13 4.15 -1.22 -3.39 115.11 115.78 2k77 h GLN 140 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k77 h GLN 140 Cb 0.58 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.27 2k77 h GLN 140 CO 0.04 0.86 0.00 1.25 -1.93 0.00 0.00 178.83 179.04 2k77 h LEU 141 N -0.86 0.00 0.00 -2.39 5.85 -0.92 -0.11 115.31 116.88 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 0.86 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.89 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 -2.47 0.00 0.00 2.25 -0.00 -0.81 -4.74 117.00 111.23 2k77 n LEU 142 Ca 0.04 0.31 0.00 0.00 -0.00 0.00 0.00 56.01 56.35 2k77 n LEU 142 Cb 0.36 -0.31 0.00 0.00 -0.00 0.00 0.00 43.42 43.47 2k77 n LEU 142 CO 0.27 -0.14 0.00 0.61 -0.00 0.00 0.00 177.39 178.13 2k77 n GLY 143 N 0.15 0.10 0.15 1.47 0.00 -1.17 -5.03 105.19 100.85 2k77 n GLY 143 Ca 0.08 0.00 -0.03 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 0.14 0.00 1.61 0.02 -1.53 -3.52 113.55 110.27 2k77 h SER 144 Ca 0.00 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 2k77 h SER 144 Cb 0.00 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.50 2k77 h SER 144 CO 0.00 0.72 0.00 0.59 -1.14 0.00 0.00 176.83 177.00