#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k77 s MET 2 N 0.00 1.48 0.12 2.12 0.00 -1.26 -5.10 119.30 116.66 2k77 s MET 2 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 55.69 53.85 2k77 s MET 2 Cb 0.00 0.35 -0.07 0.00 0.00 0.00 0.00 34.83 35.11 2k77 s MET 2 CO 0.00 -0.55 1.77 0.27 0.00 0.00 0.00 175.02 176.50 2k77 h PHE 3 N 2.38 0.25 0.00 3.16 -5.15 -1.99 -3.47 116.94 112.13 2k77 h PHE 3 Ca -0.31 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.47 2k77 h PHE 3 Cb 1.25 -0.09 0.00 0.00 0.22 0.00 0.00 35.95 37.33 2k77 h PHE 3 CO 0.78 0.17 0.00 0.41 -2.00 0.00 0.00 178.31 177.68 2k77 n GLY 4 N -1.11 0.22 3.88 6.09 0.00 -1.26 -4.98 105.19 108.03 2k77 n GLY 4 Ca -0.03 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.77 3.76 0.34 1.61 3.52 -1.26 -4.96 118.95 121.18 2k77 s ARG 5 Ca 0.00 0.41 0.10 0.00 -0.13 0.00 0.00 55.73 56.11 2k77 s ARG 5 Cb 0.00 -2.42 -0.06 0.00 -1.56 0.00 0.00 34.95 30.91 2k77 s ARG 5 CO 0.00 -0.02 -0.07 -0.06 -0.81 0.00 0.00 175.30 174.35 2k77 s PHE 6 N -2.36 2.45 0.84 5.12 0.40 -1.26 -0.61 117.98 122.56 2k77 s PHE 6 Ca 0.50 -0.46 -0.12 0.00 -0.60 0.00 0.00 56.93 56.25 2k77 s PHE 6 Cb -0.10 -1.39 0.10 0.00 0.51 0.00 0.00 43.02 42.14 2k77 s PHE 6 CO 0.32 0.56 1.15 0.95 0.70 0.00 0.00 175.22 178.90 2k77 s THR 7 N -2.57 2.16 0.23 0.64 -4.23 -0.14 -4.76 115.64 106.97 2k77 s THR 7 Ca 0.33 0.05 -0.04 0.00 -1.18 0.00 0.00 61.69 60.85 2k77 s THR 7 Cb 0.01 -2.93 0.09 0.00 1.34 0.00 0.00 72.50 71.01 2k77 s THR 7 CO 0.17 -0.07 1.71 1.05 -0.54 0.00 0.00 174.62 176.95 2k77 h GLU 8 N -1.21 0.85 -0.07 3.99 9.09 -1.99 -1.32 114.58 123.91 2k77 h GLU 8 Ca -0.48 -0.26 -0.16 0.00 0.05 0.00 0.00 59.36 58.52 2k77 h GLU 8 Cb 1.32 -0.09 -0.01 0.00 -1.65 0.00 0.00 28.75 28.33 2k77 h GLU 8 CO 0.64 0.88 -0.64 0.00 0.05 0.00 0.00 179.01 179.94 2k77 h ARG 9 N 0.78 0.28 -0.26 1.06 3.08 -1.96 -1.43 114.38 115.93 2k77 h ARG 9 Ca 0.14 -0.20 -0.08 0.00 0.07 0.00 0.00 59.98 59.91 2k77 h ARG 9 Cb 0.52 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.60 2k77 h ARG 9 CO 0.03 0.82 -0.14 0.00 -1.07 0.00 0.00 179.97 179.61 2k77 h ALA 10 N 1.13 0.37 -0.38 0.04 0.00 -1.82 -1.13 119.26 117.46 2k77 h ALA 10 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 2k77 h ALA 10 Cb 1.16 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.84 2k77 h ALA 10 CO 0.10 0.25 0.19 1.96 0.00 0.00 0.00 179.25 181.76 2k77 h GLN 11 N 0.29 0.53 -0.54 0.00 4.20 -1.25 -1.98 115.11 116.36 2k77 h GLN 11 Ca 0.06 -0.05 -0.07 0.00 0.06 0.00 0.00 58.65 58.64 2k77 h GLN 11 Cb 0.66 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.31 2k77 h GLN 11 CO 0.04 0.40 0.06 -0.22 -0.67 0.00 0.00 178.83 178.45 2k77 h LYS 12 N 0.53 0.92 -0.69 1.46 3.64 -0.95 -0.11 116.57 121.36 2k77 h LYS 12 Ca 0.14 -0.26 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 2k77 h LYS 12 Cb 0.04 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.73 2k77 h LYS 12 CO -0.02 0.90 0.29 -0.39 -2.27 0.00 0.00 179.45 177.96 2k77 h VAL 13 N 0.80 1.23 -0.07 2.00 -1.51 -0.66 -0.50 116.25 117.54 2k77 h VAL 13 Ca 0.16 -0.72 -0.16 0.00 -1.23 0.00 0.00 66.70 64.75 2k77 h VAL 13 Cb 0.44 0.39 -0.01 0.00 -2.13 0.00 0.00 31.29 29.98 2k77 h VAL 13 CO 0.02 0.29 -0.67 -0.07 -1.23 0.00 0.00 177.57 175.91 2k77 h LEU 14 N 1.00 0.36 -0.47 4.19 3.38 -1.20 0.32 115.31 122.89 2k77 h LEU 14 Ca 0.24 -0.23 -0.10 0.00 0.09 0.00 0.00 57.88 57.89 2k77 h LEU 14 Cb 0.17 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 2k77 h LEU 14 CO -0.02 0.93 -0.08 0.00 0.09 0.00 0.00 178.44 179.36 2k77 h ALA 15 N 1.07 0.64 -0.05 1.53 0.00 -0.84 -3.12 119.26 118.49 2k77 h ALA 15 Ca -0.02 -0.32 -0.11 0.00 0.00 0.00 0.00 54.91 54.47 2k77 h ALA 15 Cb 1.21 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 2k77 h ALA 15 CO 0.11 0.51 -0.47 -0.07 0.00 0.00 0.00 179.25 179.33 2k77 h LEU 16 N 0.73 0.12 -1.40 0.00 3.38 -0.97 -2.98 115.31 114.18 2k77 h LEU 16 Ca 0.12 -0.05 0.05 0.00 0.09 0.00 0.00 57.88 58.09 2k77 h LEU 16 Cb 0.62 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.29 2k77 h LEU 16 CO 0.04 0.57 0.45 0.00 0.09 0.00 0.00 178.44 179.59 2k77 h ALA 17 N 1.43 1.69 -0.31 1.53 0.00 -0.87 0.71 119.26 123.44 2k77 h ALA 17 Ca 0.00 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 2k77 h ALA 17 Cb 0.86 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2k77 h ALA 17 CO 0.07 0.22 -0.04 0.37 0.00 0.00 0.00 179.25 179.87 2k77 h GLN 18 N 0.75 0.58 -0.56 0.00 4.15 -1.52 -1.49 115.11 117.02 2k77 h GLN 18 Ca 0.29 -0.20 -0.09 0.00 0.77 0.00 0.00 58.65 59.41 2k77 h GLN 18 Cb 0.19 -0.04 -0.02 0.00 0.21 0.00 0.00 27.48 27.81 2k77 h GLN 18 CO -0.09 0.74 -0.01 0.93 -1.93 0.00 0.00 178.83 178.47 2k77 h GLU 19 N 0.36 0.99 -0.43 1.69 4.39 -1.30 -1.47 114.58 118.80 2k77 h GLU 19 Ca 0.08 -0.32 -0.12 0.00 0.34 0.00 0.00 59.36 59.35 2k77 h GLU 19 Cb 0.50 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2k77 h GLU 19 CO 0.02 0.99 -0.20 0.93 -1.16 0.00 0.00 179.01 179.60 2k77 h GLU 20 N 0.87 0.84 0.18 2.33 4.39 -0.91 0.41 114.58 122.69 2k77 h GLU 20 Ca 0.16 -0.33 -0.00 0.00 0.34 0.00 0.00 59.36 59.52 2k77 h GLU 20 Cb 0.55 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.15 2k77 h GLU 20 CO 0.03 0.96 -0.13 0.00 -1.16 0.00 0.00 179.01 178.71 2k77 h ALA 21 N 1.04 -0.30 -0.30 3.43 0.00 -1.15 -2.12 119.26 119.85 2k77 h ALA 21 Ca 0.10 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 2k77 h ALA 21 Cb 0.72 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 2k77 h ALA 21 CO 0.06 -0.68 -0.07 -0.07 0.00 0.00 0.00 179.25 178.48 2k77 h LEU 22 N -0.32 0.47 -0.86 0.00 3.38 -1.12 0.52 115.31 117.37 2k77 h LEU 22 Ca -0.01 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 2k77 h LEU 22 Cb 0.28 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 2k77 h LEU 22 CO -0.00 0.59 0.42 -0.09 0.09 0.00 0.00 178.44 179.45 2k77 h ARG 23 N 0.46 1.23 -0.04 1.13 2.43 -0.83 -1.71 114.38 117.05 2k77 h ARG 23 Ca 0.09 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2k77 h ARG 23 Cb 0.42 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.74 2k77 h ARG 23 CO 0.02 0.94 0.00 1.28 -1.51 0.00 0.00 179.97 180.70 2k77 n LEU 24 N -4.31 0.39 -0.49 3.80 4.77 -0.81 -4.93 117.00 115.43 2k77 n LEU 24 Ca 0.09 -0.16 -0.06 0.00 -0.03 0.00 0.00 56.01 55.84 2k77 n LEU 24 Cb 0.13 -0.03 -0.03 0.00 -2.33 0.00 0.00 43.42 41.17 2k77 n LEU 24 CO 0.40 0.08 -0.06 0.61 -1.33 0.00 0.00 177.39 177.09 2k77 n GLY 25 N 0.86 0.84 3.79 -0.72 0.00 -0.64 -0.74 105.19 108.57 2k77 n GLY 25 Ca 0.14 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.11 3.72 -0.30 1.61 3.76 0.10 -2.13 115.29 119.94 2k77 s HIS 26 Ca 0.00 1.17 0.11 0.00 -0.15 0.00 0.00 55.06 56.19 2k77 s HIS 26 Cb 0.00 -2.52 0.74 0.00 1.11 0.00 0.00 32.58 31.90 2k77 s HIS 26 CO 0.00 0.46 1.77 0.09 -0.85 0.00 0.00 174.74 176.20 2k77 n ASN 27 N 2.34 4.80 -3.91 1.40 4.13 -1.18 -2.96 115.26 119.88 2k77 n ASN 27 Ca -0.09 -3.20 -0.10 0.00 1.68 0.00 0.00 54.58 52.87 2k77 n ASN 27 Cb 0.51 -0.72 -0.10 0.00 -1.54 0.00 0.00 39.78 37.93 2k77 n ASN 27 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 2k77 s ASN 28 N -1.14 0.14 -0.33 6.41 4.22 -1.26 -3.53 114.94 119.45 2k77 s ASN 28 Ca 0.54 -0.44 -0.13 0.00 -2.14 0.00 0.00 52.86 50.69 2k77 s ASN 28 Cb 0.43 0.21 -0.02 0.00 1.28 0.00 0.00 41.25 43.15 2k77 s ASN 28 CO 0.13 -0.46 0.27 -0.63 -2.04 0.00 0.00 177.10 174.37 2k77 s ILE 29 N -2.21 5.26 0.61 0.54 1.01 0.09 -4.83 121.20 121.66 2k77 s ILE 29 Ca -0.08 -0.05 0.06 0.00 0.00 0.00 0.00 60.65 60.58 2k77 s ILE 29 Cb -0.03 -3.71 0.09 0.00 0.01 0.00 0.00 42.46 38.82 2k77 s ILE 29 CO -0.03 0.02 0.84 -0.83 0.00 0.00 0.00 174.94 174.94 2k77 s GLY 30 N 1.73 1.76 0.31 6.18 0.00 -1.26 -1.49 107.32 114.55 2k77 s GLY 30 Ca 0.08 -1.95 0.03 0.00 0.00 0.00 0.00 44.72 42.88 2k77 s GLY 30 CO 0.11 -1.49 1.88 -0.91 0.00 0.00 0.00 173.10 172.70 2k77 h THR 31 N -0.01 0.97 -0.70 0.90 1.35 -1.92 -1.39 112.91 112.11 2k77 h THR 31 Ca -0.33 -0.32 0.15 0.00 -0.55 0.00 0.00 66.41 65.36 2k77 h THR 31 Cb 1.28 -0.04 -0.11 0.00 -1.73 0.00 0.00 68.15 67.55 2k77 h THR 31 CO 0.41 0.17 0.12 1.05 -0.25 0.00 0.00 175.52 177.03 2k77 h GLU 32 N 0.93 0.22 0.01 4.72 9.09 -1.94 -0.28 114.58 127.33 2k77 h GLU 32 Ca 0.43 -0.01 -0.20 0.00 0.05 0.00 0.00 59.36 59.63 2k77 h GLU 32 Cb 0.39 -0.05 -0.02 0.00 -1.65 0.00 0.00 28.75 27.42 2k77 h GLU 32 CO -0.19 0.14 -0.91 0.45 0.05 0.00 0.00 179.01 178.55 2k77 h HIS 33 N 0.22 0.10 -0.41 2.06 3.86 -1.62 -0.10 115.15 119.25 2k77 h HIS 33 Ca 0.39 -0.06 -0.05 0.00 -1.16 0.00 0.00 60.37 59.49 2k77 h HIS 33 Cb 0.65 -0.01 -0.02 0.00 1.06 0.00 0.00 27.41 29.09 2k77 h HIS 33 CO -0.29 0.94 0.06 0.82 0.86 0.00 0.00 177.93 180.32 2k77 h ILE 34 N 0.03 1.24 -0.46 2.45 2.04 -1.05 0.10 117.51 121.86 2k77 h ILE 34 Ca -0.03 -0.88 -0.06 0.00 1.00 0.00 0.00 64.86 64.90 2k77 h ILE 34 Cb 1.59 1.02 -0.02 0.00 -0.74 0.00 0.00 36.82 38.67 2k77 h ILE 34 CO 0.13 0.30 0.07 0.25 0.00 0.00 0.00 178.15 178.90 2k77 h LEU 35 N 0.54 0.74 -0.85 1.44 5.85 -0.96 -1.08 115.31 121.00 2k77 h LEU 35 Ca 0.13 -0.27 -0.10 0.00 0.84 0.00 0.00 57.88 58.48 2k77 h LEU 35 Cb 0.38 -0.20 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 2k77 h LEU 35 CO 0.01 0.82 -0.21 0.25 -0.34 0.00 0.00 178.44 178.97 2k77 h LEU 36 N 0.63 0.62 -0.98 2.25 5.85 -0.96 -2.35 115.31 120.38 2k77 h LEU 36 Ca 0.14 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 2k77 h LEU 36 Cb 0.40 -0.17 -0.03 0.00 0.37 0.00 0.00 40.66 41.23 2k77 h LEU 36 CO 0.01 0.83 0.27 1.23 -0.34 0.00 0.00 178.44 180.45 2k77 h GLY 37 N 0.99 1.08 0.80 3.75 0.00 -0.67 -0.74 103.07 108.29 2k77 h GLY 37 Ca 0.08 -0.57 0.02 0.00 0.00 0.00 0.00 47.33 46.86 2k77 h GLY 37 CO 0.05 0.54 -0.06 1.41 0.00 0.00 0.00 176.54 178.47 2k77 h LEU 38 N 0.99 -0.19 -0.77 3.11 3.38 -0.71 -0.58 115.31 120.54 2k77 h LEU 38 Ca 0.23 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.17 2k77 h LEU 38 Cb 0.19 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.02 2k77 h LEU 38 CO -0.02 -0.09 -0.32 -0.37 0.09 0.00 0.00 178.44 177.72 2k77 h VAL 39 N -0.10 0.70 -0.06 1.22 -1.51 -1.35 -1.49 116.25 113.66 2k77 h VAL 39 Ca 0.04 -1.48 -0.11 0.00 -1.23 0.00 0.00 66.70 63.91 2k77 h VAL 39 Cb 0.15 1.97 -0.01 0.00 -2.13 0.00 0.00 31.29 31.26 2k77 h VAL 39 CO -0.09 0.32 -0.48 -0.09 -1.23 0.00 0.00 177.57 176.00 2k77 h ARG 40 N 0.00 0.14 0.03 5.19 9.65 -0.95 -3.15 114.38 125.30 2k77 h ARG 40 Ca -0.00 -0.07 -0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2k77 h ARG 40 Cb 0.94 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.53 2k77 h ARG 40 CO 0.04 0.59 -0.02 1.49 2.80 0.00 0.00 179.97 184.88 2k77 h GLU 41 N 0.11 -0.04 0.00 0.20 4.22 -0.83 -3.48 114.58 114.76 2k77 h GLU 41 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.45 2k77 h GLU 41 Cb 0.89 0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2k77 h GLU 41 CO 0.07 0.42 0.00 0.41 -2.18 0.00 0.00 179.01 177.73 2k77 n GLY 42 N 0.18 0.84 0.01 1.92 0.00 -0.59 -4.71 105.19 102.85 2k77 n GLY 42 Ca -0.08 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 2.29 -0.84 1.61 1.02 -1.26 -4.61 120.64 116.86 2k77 n GLU 43 Ca 0.00 -0.01 -0.30 0.00 -0.02 0.00 0.00 57.16 56.83 2k77 n GLU 43 Cb 0.00 -1.08 0.17 0.00 -0.02 0.00 0.00 31.44 30.51 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 -3.02 1.65 0.23 0.62 0.00 -1.26 -4.70 107.32 100.83 2k77 s GLY 44 Ca -0.01 0.29 -0.07 0.00 0.00 0.00 0.00 44.72 44.93 2k77 s GLY 44 CO 0.13 0.77 1.80 -2.22 0.00 0.00 0.00 173.10 173.58 2k77 h ILE 45 N -1.86 0.91 -0.44 0.90 1.08 -1.95 -0.58 117.51 115.57 2k77 h ILE 45 Ca -0.48 -0.24 -0.06 0.00 -0.39 0.00 0.00 64.86 63.70 2k77 h ILE 45 Cb 1.28 0.15 -0.02 0.00 -3.07 0.00 0.00 36.82 35.16 2k77 h ILE 45 CO 0.47 0.13 0.05 0.00 -0.69 0.00 0.00 178.15 178.11 2k77 h ALA 46 N 1.41 0.58 -0.65 1.87 0.00 -1.91 0.27 119.26 120.84 2k77 h ALA 46 Ca 0.35 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 2k77 h ALA 46 Cb 0.31 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 2k77 h ALA 46 CO -0.24 0.32 0.20 0.00 0.00 0.00 0.00 179.25 179.54 2k77 h ALA 47 N 0.93 0.85 -0.50 0.00 0.00 -1.69 -0.17 119.26 118.68 2k77 h ALA 47 Ca 0.13 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 2k77 h ALA 47 Cb 0.41 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 47 CO 0.01 0.52 0.08 -0.22 0.00 0.00 0.00 179.25 179.64 2k77 h LYS 48 N 0.93 0.78 -0.50 0.00 3.64 -1.02 -1.64 116.57 118.76 2k77 h LYS 48 Ca 0.21 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.31 2k77 h LYS 48 Cb 0.29 -0.11 -0.02 0.00 -0.41 0.00 0.00 32.23 31.98 2k77 h LYS 48 CO -0.01 0.73 -0.10 0.00 -2.27 0.00 0.00 179.45 177.80 2k77 h ALA 49 N 1.35 0.68 -0.14 5.00 0.00 -0.54 0.09 119.26 125.70 2k77 h ALA 49 Ca 0.16 -0.34 0.01 0.00 0.00 0.00 0.00 54.91 54.74 2k77 h ALA 49 Cb 0.33 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2k77 h ALA 49 CO 0.00 0.58 0.07 -0.07 0.00 0.00 0.00 179.25 179.84 2k77 h LEU 50 N 0.81 0.11 -1.04 0.00 3.38 -0.79 -1.99 115.31 115.79 2k77 h LEU 50 Ca 0.13 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.02 2k77 h LEU 50 Cb 0.66 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.38 2k77 h LEU 50 CO 0.05 0.09 -0.24 1.56 0.09 0.00 0.00 178.44 179.98 2k77 h GLN 51 N 0.16 0.39 -0.25 1.13 7.50 -1.24 -2.35 115.11 120.45 2k77 h GLN 51 Ca 0.06 -0.14 -0.05 0.00 0.50 0.00 0.00 58.65 59.02 2k77 h GLN 51 Cb 0.01 -0.03 -0.01 0.00 0.05 0.00 0.00 27.48 27.49 2k77 h GLN 51 CO -0.04 0.61 -0.04 0.00 -1.50 0.00 0.00 178.83 177.86 2k77 h ALA 52 N 1.40 1.46 0.00 3.87 0.00 -0.76 -1.59 119.26 123.63 2k77 h ALA 52 Ca 0.05 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2k77 h ALA 52 Cb 0.62 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.29 2k77 h ALA 52 CO 0.04 0.38 0.00 1.28 0.00 0.00 0.00 179.25 180.96 2k77 n LEU 53 N -4.29 0.00 0.00 0.00 4.77 -0.77 -4.87 117.00 111.84 2k77 n LEU 53 Ca 0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.99 2k77 n LEU 53 Cb 0.24 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.33 2k77 n LEU 53 CO 0.38 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 2k77 n GLY 54 N 0.35 0.73 2.49 -0.72 0.00 -0.60 -5.00 105.19 102.45 2k77 n GLY 54 Ca 0.02 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.51 0.99 4.77 -0.92 -4.99 117.00 113.35 2k77 n LEU 55 Ca 0.00 -0.96 -0.09 0.00 -0.03 0.00 0.00 56.01 54.93 2k77 n LEU 55 Cb 0.00 -0.65 -0.02 0.00 -2.33 0.00 0.00 43.42 40.42 2k77 n LEU 55 CO 0.00 -1.10 0.58 -0.83 -1.33 0.00 0.00 177.39 174.71 2k77 s GLY 56 N -4.84 -0.49 0.19 -0.72 0.00 -1.26 -4.41 107.32 95.79 2k77 s GLY 56 Ca 0.48 0.72 -0.12 0.00 0.00 0.00 0.00 44.72 45.81 2k77 s GLY 56 CO 0.34 0.24 1.81 1.48 0.00 0.00 0.00 173.10 176.96 2k77 h SER 57 N 2.00 0.50 -0.42 1.64 4.64 -1.99 -1.74 113.55 118.18 2k77 h SER 57 Ca -0.26 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 61.02 2k77 h SER 57 Cb 1.26 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 63.25 2k77 h SER 57 CO 0.33 0.34 0.06 -0.08 -0.87 0.00 0.00 176.83 176.61 2k77 h GLU 58 N 0.63 0.70 -0.31 4.77 4.81 -1.97 -0.69 114.58 122.52 2k77 h GLU 58 Ca 0.24 -0.20 0.02 0.00 -0.13 0.00 0.00 59.36 59.30 2k77 h GLU 58 Cb 0.09 -0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 2k77 h GLU 58 CO -0.14 0.75 0.16 0.87 -0.73 0.00 0.00 179.01 179.92 2k77 h LYS 59 N 0.56 0.32 -0.27 1.92 1.57 -1.87 -0.33 116.57 118.47 2k77 h LYS 59 Ca 0.13 -0.02 -0.11 0.00 -1.87 0.00 0.00 60.65 58.78 2k77 h LYS 59 Cb 0.39 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.63 2k77 h LYS 59 CO 0.01 0.21 -0.26 0.82 -0.57 0.00 0.00 179.45 179.66 2k77 h ILE 60 N 0.33 1.31 -0.61 1.86 2.04 -1.32 -2.83 117.51 118.28 2k77 h ILE 60 Ca 0.13 -1.43 0.00 0.00 1.00 0.00 0.00 64.86 64.56 2k77 h ILE 60 Cb 0.03 1.62 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 2k77 h ILE 60 CO -0.08 0.45 0.39 -0.61 0.00 0.00 0.00 178.15 178.30 2k77 h GLN 61 N 0.38 0.82 -0.61 2.37 4.15 -0.91 -0.31 115.11 120.99 2k77 h GLN 61 Ca 0.04 -0.06 -0.04 0.00 0.77 0.00 0.00 58.65 59.36 2k77 h GLN 61 Cb 0.83 -0.18 -0.03 0.00 0.21 0.00 0.00 27.48 28.31 2k77 h GLN 61 CO 0.07 0.57 0.23 0.87 -1.93 0.00 0.00 178.83 178.63 2k77 h LYS 62 N 0.83 0.93 -0.32 1.69 1.57 -1.09 -0.51 116.57 119.67 2k77 h LYS 62 Ca 0.22 -0.18 -0.14 0.00 -1.87 0.00 0.00 60.65 58.68 2k77 h LYS 62 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 2k77 h LYS 62 CO -0.05 0.80 -0.37 0.93 -0.57 0.00 0.00 179.45 180.19 2k77 h GLU 63 N 0.86 0.74 0.65 3.15 4.39 -1.26 -1.21 114.58 121.90 2k77 h GLU 63 Ca 0.20 -0.37 -0.03 0.00 0.34 0.00 0.00 59.36 59.50 2k77 h GLU 63 Cb 0.23 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 28.89 2k77 h GLU 63 CO -0.01 0.99 -0.31 0.28 -1.16 0.00 0.00 179.01 178.79 2k77 h VAL 64 N 0.61 0.36 -0.79 3.13 2.07 -0.91 -2.96 116.25 117.76 2k77 h VAL 64 Ca 0.06 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2k77 h VAL 64 Cb 0.91 0.37 -0.04 0.00 -1.52 0.00 0.00 31.29 31.01 2k77 h VAL 64 CO 0.08 0.01 0.52 -0.33 0.02 0.00 0.00 177.57 177.87 2k77 h GLU 65 N -0.90 0.95 0.00 1.57 5.08 -1.08 -1.39 114.58 118.82 2k77 h GLU 65 Ca -0.09 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 2k77 h GLU 65 Cb 0.68 -0.21 0.00 0.00 0.50 0.00 0.00 28.75 29.71 2k77 h GLU 65 CO 0.15 0.63 0.00 0.77 -1.00 0.00 0.00 179.01 179.56 2k77 h SER 66 N 0.98 0.00 0.00 1.42 0.02 -1.20 -0.68 113.55 114.10 2k77 h SER 66 Ca 0.31 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.10 2k77 h SER 66 Cb 0.03 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 2k77 h SER 66 CO -0.09 0.00 -2.03 0.18 -1.14 0.00 0.00 176.83 173.75 2k77 n LEU 67 N -2.81 0.00 -0.00 5.07 4.77 -0.60 -4.73 117.00 118.70 2k77 n LEU 67 Ca -0.00 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.01 2k77 n LEU 67 Cb 0.21 0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 41.48 2k77 n LEU 67 CO 0.22 0.22 -0.41 2.30 -1.33 0.00 0.00 177.39 178.39 2k77 n ILE 68 N -2.40 0.00 -4.68 -0.08 -5.35 -0.75 -5.12 119.36 100.98 2k77 n ILE 68 Ca -0.16 -0.20 0.00 0.00 -0.27 0.00 0.00 62.75 62.12 2k77 n ILE 68 Cb 0.78 0.55 0.00 0.00 -1.74 0.00 0.00 39.64 39.23 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 1.86 -0.43 3.04 3.28 0.00 -0.27 -4.93 105.19 107.74 2k77 n GLY 69 Ca -0.00 -1.04 -0.21 0.00 0.00 0.00 0.00 46.02 44.77 2k77 n GLY 69 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2k77 s ARG 70 N 0.00 1.01 0.00 1.61 3.00 -1.26 -4.89 118.95 118.41 2k77 s ARG 70 Ca 0.00 -0.37 0.00 0.00 -1.00 0.00 0.00 55.73 54.36 2k77 s ARG 70 Cb 0.00 -0.94 0.00 0.00 0.00 0.00 0.00 34.95 34.01 2k77 s ARG 70 CO 0.00 0.17 0.00 0.41 0.00 0.00 0.00 175.30 175.88 2k77 n GLY 71 N 3.08 1.38 2.53 8.12 0.00 0.08 -5.00 105.19 115.38 2k77 n GLY 71 Ca -0.16 -0.22 -0.32 0.00 0.00 0.00 0.00 46.02 45.32 2k77 n GLY 71 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2k77 n GLN 72 N -0.71 2.79 -2.75 1.61 6.02 -0.91 -4.90 117.38 118.54 2k77 n GLN 72 Ca 0.00 -1.89 -0.42 0.00 -0.01 0.00 0.00 57.00 54.68 2k77 n GLN 72 Cb 0.13 -2.70 -0.03 0.00 1.02 0.00 0.00 30.24 28.66 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 2.98 4.47 0.00 -1.09 2.12 -0.99 -3.07 118.70 123.12 2k77 s GLU 73 Ca 0.54 1.32 0.00 0.00 0.36 0.00 0.00 54.97 57.20 2k77 s GLU 73 Cb 0.14 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 31.03 2k77 s GLU 73 CO -0.04 -0.17 0.33 -1.33 -0.54 0.00 0.00 175.26 173.51 2k77 n MET 74 N 4.44 -0.12 -3.70 4.30 2.81 -1.26 -4.99 117.12 118.60 2k77 n MET 74 Ca 0.06 -0.33 -0.23 0.00 -1.81 0.00 0.00 57.70 55.40 2k77 n MET 74 Cb 0.50 -0.81 0.03 0.00 -0.71 0.00 0.00 33.22 32.23 2k77 n MET 74 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 2k77 n SER 75 N -0.08 -1.88 -4.00 7.83 7.64 -1.26 -5.01 113.62 116.87 2k77 n SER 75 Ca 0.00 -0.86 -0.10 0.00 1.01 0.00 0.00 58.87 58.92 2k77 n SER 75 Cb 0.06 -3.93 -0.07 0.00 -1.01 0.00 0.00 64.21 59.26 2k77 n SER 75 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 2k77 s GLN 76 N -5.94 1.23 0.60 1.43 -2.07 -1.26 -5.16 119.66 108.49 2k77 s GLN 76 Ca 0.09 -1.24 -0.19 0.00 -1.82 0.00 0.00 55.36 52.19 2k77 s GLN 76 Cb -0.02 0.38 -0.03 0.00 -1.09 0.00 0.00 33.01 32.25 2k77 s GLN 76 CO 0.82 -0.46 1.31 0.99 -1.32 0.00 0.00 175.29 176.63 2k77 s THR 77 N -4.00 2.12 0.39 3.63 2.01 -1.26 -4.87 115.64 113.67 2k77 s THR 77 Ca 0.21 0.08 -0.26 0.00 0.31 0.00 0.00 61.69 62.03 2k77 s THR 77 Cb 0.03 -3.04 -0.09 0.00 0.01 0.00 0.00 72.50 69.42 2k77 s THR 77 CO 0.03 -0.01 1.24 -0.63 -0.69 0.00 0.00 174.62 174.56 2k77 s ILE 78 N -1.38 2.88 0.16 1.82 1.09 -1.26 -4.91 121.20 119.60 2k77 s ILE 78 Ca 0.78 0.78 0.08 0.00 -1.10 0.00 0.00 60.65 61.19 2k77 s ILE 78 Cb -0.38 -3.45 -0.04 0.00 -1.06 0.00 0.00 42.46 37.53 2k77 s ILE 78 CO 0.42 0.10 -0.18 -1.00 -0.10 0.00 0.00 174.94 174.18 2k77 s HIS 79 N -1.31 1.81 0.04 3.97 3.76 -1.23 -4.98 115.29 117.35 2k77 s HIS 79 Ca 0.56 -0.47 -0.16 0.00 -0.15 0.00 0.00 55.06 54.84 2k77 s HIS 79 Cb -0.35 -0.91 -0.06 0.00 1.11 0.00 0.00 32.58 32.38 2k77 s HIS 79 CO 0.44 0.33 0.47 0.71 -0.85 0.00 0.00 174.74 175.84 2k77 s TYR 80 N -2.04 3.74 0.85 1.40 1.51 -1.26 -0.73 117.35 120.81 2k77 s TYR 80 Ca 0.15 1.07 -0.11 0.00 -1.01 0.00 0.00 57.07 57.18 2k77 s TYR 80 Cb -0.06 -2.35 0.10 0.00 -0.11 0.00 0.00 41.96 39.54 2k77 s TYR 80 CO 0.06 0.60 1.09 0.95 -1.11 0.00 0.00 175.55 177.15 2k77 s THR 81 N -1.14 2.90 0.42 -0.71 -4.23 -0.55 -4.79 115.64 107.53 2k77 s THR 81 Ca 0.27 0.29 0.11 0.00 -1.18 0.00 0.00 61.69 61.18 2k77 s THR 81 Cb -0.17 -2.82 0.31 0.00 1.34 0.00 0.00 72.50 71.16 2k77 s THR 81 CO 0.16 -0.38 2.00 -0.65 -0.54 0.00 0.00 174.62 175.20 2k77 h PRO 82 N -1.37 0.47 -0.13 3.99 0.11 -1.99 0.94 132.00 134.02 2k77 h PRO 82 Ca -0.48 -0.03 -0.20 0.00 0.11 0.00 0.00 66.00 65.40 2k77 h PRO 82 Cb 1.27 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 32.27 2k77 h PRO 82 CO 0.55 0.31 -0.74 0.00 -0.21 0.00 0.00 178.00 177.91 2k77 h ARG 83 N 0.49 0.64 -0.44 1.05 -0.00 -1.95 -0.97 114.38 113.20 2k77 h ARG 83 Ca 0.25 -0.51 -0.13 0.00 -0.50 0.00 0.00 59.98 59.09 2k77 h ARG 83 Cb 0.37 0.10 -0.01 0.00 0.00 0.00 0.00 29.97 30.43 2k77 h ARG 83 CO -0.07 1.13 -0.24 0.00 0.00 0.00 0.00 179.97 180.80 2k77 h ALA 84 N 0.72 0.62 -0.46 0.04 0.00 -1.70 -0.64 119.26 117.84 2k77 h ALA 84 Ca -0.04 -0.39 0.03 0.00 0.00 0.00 0.00 54.91 54.50 2k77 h ALA 84 Cb 1.35 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2k77 h ALA 84 CO 0.14 0.61 0.26 -0.22 0.00 0.00 0.00 179.25 180.05 2k77 h LYS 85 N 0.76 0.50 -0.41 0.00 3.64 -0.82 0.02 116.57 120.26 2k77 h LYS 85 Ca 0.09 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 59.47 2k77 h LYS 85 Cb 0.81 -0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 32.49 2k77 h LYS 85 CO 0.07 0.33 0.22 0.87 -2.27 0.00 0.00 179.45 178.67 2k77 h LYS 86 N 0.52 0.43 -0.45 1.90 1.57 -1.08 -1.67 116.57 117.80 2k77 h LYS 86 Ca 0.19 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.97 2k77 h LYS 86 Cb 0.05 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.22 2k77 h LYS 86 CO -0.10 0.28 0.24 0.28 -0.57 0.00 0.00 179.45 179.58 2k77 h VAL 87 N 0.44 1.00 -0.51 0.50 2.07 -0.67 0.20 116.25 119.28 2k77 h VAL 87 Ca 0.17 -0.17 -0.00 0.00 0.82 0.00 0.00 66.70 67.52 2k77 h VAL 87 Cb 0.06 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 30.28 2k77 h VAL 87 CO -0.11 0.09 0.30 0.40 0.02 0.00 0.00 177.57 178.28 2k77 h ILE 88 N 0.48 1.16 -0.19 4.57 1.08 -0.74 0.18 117.51 124.06 2k77 h ILE 88 Ca 0.19 -0.37 -0.14 0.00 -0.39 0.00 0.00 64.86 64.15 2k77 h ILE 88 Cb 0.06 0.48 -0.01 0.00 -3.07 0.00 0.00 36.82 34.28 2k77 h ILE 88 CO -0.11 0.16 -0.47 -0.33 -0.69 0.00 0.00 178.15 176.71 2k77 h GLU 89 N 0.68 0.49 0.00 2.37 5.08 -1.14 -2.93 114.58 119.13 2k77 h GLU 89 Ca 0.18 -0.27 -0.12 0.00 -1.00 0.00 0.00 59.36 58.15 2k77 h GLU 89 Cb 0.00 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.25 2k77 h GLU 89 CO -0.03 0.86 -0.56 -0.07 -1.00 0.00 0.00 179.01 178.20 2k77 h LEU 90 N 0.39 0.00 -0.70 1.33 3.38 -0.68 -2.12 115.31 116.91 2k77 h LEU 90 Ca 0.02 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 90 Cb 0.98 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.70 2k77 h LEU 90 CO 0.09 0.56 0.19 0.28 0.09 0.00 0.00 178.44 179.65 2k77 h SER 91 N 0.00 1.04 0.57 -0.43 0.02 -0.47 0.92 113.55 115.20 2k77 h SER 91 Ca -0.01 -0.22 -0.18 0.00 -0.84 0.00 0.00 61.79 60.54 2k77 h SER 91 Cb 1.02 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 63.27 2k77 h SER 91 CO 0.07 0.99 -0.80 0.00 -1.14 0.00 0.00 176.83 175.95 2k77 h MET 92 N 1.04 0.17 -0.05 3.45 -0.00 -1.51 -1.56 114.93 116.47 2k77 h MET 92 Ca 0.22 -0.17 -0.08 0.00 -0.00 0.00 0.00 59.70 59.67 2k77 h MET 92 Cb 0.34 0.04 -0.01 0.00 -0.00 0.00 0.00 31.60 31.97 2k77 h MET 92 CO -0.00 0.89 -0.35 0.22 -0.00 0.00 0.00 176.91 177.66 2k77 h ASP 93 N 0.10 0.11 -0.08 -0.10 3.58 -1.05 -0.07 116.42 118.91 2k77 h ASP 93 Ca -0.03 -0.04 -0.20 0.00 0.42 0.00 0.00 57.03 57.18 2k77 h ASP 93 Cb 1.40 -0.03 0.01 0.00 1.72 0.00 0.00 39.33 42.43 2k77 h ASP 93 CO 0.12 0.46 -0.72 -0.33 -2.88 0.00 0.00 179.24 175.88 2k77 h GLU 94 N 0.09 0.63 -0.68 0.28 4.39 -0.80 -0.42 114.58 118.08 2k77 h GLU 94 Ca 0.01 -0.57 0.02 0.00 0.34 0.00 0.00 59.36 59.16 2k77 h GLU 94 Cb 0.67 0.14 -0.04 0.00 -0.10 0.00 0.00 28.75 29.42 2k77 h GLU 94 CO 0.05 1.19 0.45 0.00 -1.16 0.00 0.00 179.01 179.53 2k77 h ALA 95 N 0.46 1.57 -0.23 3.43 0.00 -1.15 -1.62 119.26 121.72 2k77 h ALA 95 Ca -0.07 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 2k77 h ALA 95 Cb 1.38 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2k77 h ALA 95 CO 0.15 0.38 -0.41 -0.09 0.00 0.00 0.00 179.25 179.28 2k77 h ARG 96 N 0.86 0.53 -0.75 0.00 2.43 -0.97 0.05 114.38 116.53 2k77 h ARG 96 Ca 0.26 -0.27 -0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2k77 h ARG 96 Cb -0.02 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 2k77 h ARG 96 CO -0.07 0.85 0.34 -0.22 -1.51 0.00 0.00 179.97 179.37 2k77 h LYS 97 N 0.44 1.08 -0.00 0.20 1.63 -0.17 -2.18 116.57 117.56 2k77 h LYS 97 Ca 0.04 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.68 2k77 h LYS 97 Cb 0.90 -0.19 0.00 0.00 -0.60 0.00 0.00 32.23 32.34 2k77 h LYS 97 CO 0.08 0.85 -0.16 1.28 -3.45 0.00 0.00 179.45 178.04 2k77 n LEU 98 N -4.31 0.64 -1.61 5.20 7.99 -0.72 -4.97 117.00 119.22 2k77 n LEU 98 Ca 0.07 -0.07 -0.14 0.00 -0.01 0.00 0.00 56.01 55.86 2k77 n LEU 98 Cb 0.15 -0.17 -0.00 0.00 -0.11 0.00 0.00 43.42 43.28 2k77 n LEU 98 CO 0.39 0.12 -0.17 0.61 -1.51 0.00 0.00 177.39 176.84 2k77 n GLY 99 N 1.30 -0.20 0.09 -0.72 0.00 -0.82 -4.94 105.19 99.91 2k77 n GLY 99 Ca 0.13 -0.30 0.13 0.00 0.00 0.00 0.00 46.02 45.99 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 0.82 -0.73 1.61 -0.00 -0.06 -4.96 115.22 107.88 2k77 n HIS 100 Ca -0.16 0.24 0.00 0.00 0.46 0.00 0.00 57.72 58.26 2k77 n HIS 100 Cb 0.62 -0.85 0.00 0.00 -0.12 0.00 0.00 29.99 29.64 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 -2.21 -2.48 -3.51 0.26 7.64 -1.26 -4.90 113.62 107.16 2k77 n SER 101 Ca 0.05 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.81 2k77 n SER 101 Cb 0.43 -2.76 -0.04 0.00 -1.01 0.00 0.00 64.21 60.84 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 -1.14 -0.46 -0.43 1.43 -0.85 -1.26 -4.73 117.35 109.90 2k77 s TYR 102 Ca 0.00 0.54 -0.24 0.00 -0.52 0.00 0.00 57.07 56.85 2k77 s TYR 102 Cb 0.00 0.49 0.02 0.00 0.38 0.00 0.00 41.96 42.86 2k77 s TYR 102 CO 0.00 -0.57 0.85 0.08 -1.52 0.00 0.00 175.55 174.39 2k77 s VAL 103 N -2.35 4.59 0.83 -3.49 1.01 0.22 -4.87 120.40 116.34 2k77 s VAL 103 Ca -0.01 0.69 -0.11 0.00 0.00 0.00 0.00 61.98 62.55 2k77 s VAL 103 Cb -0.01 -4.35 0.12 0.00 0.00 0.00 0.00 36.38 32.15 2k77 s VAL 103 CO -0.03 -0.70 1.17 -0.83 0.00 0.00 0.00 175.10 174.70 2k77 s GLY 104 N 2.12 1.71 0.30 4.51 0.00 -1.26 -0.96 107.32 113.73 2k77 s GLY 104 Ca 0.34 -1.05 0.01 0.00 0.00 0.00 0.00 44.72 44.01 2k77 s GLY 104 CO 0.23 -0.47 1.91 -0.91 0.00 0.00 0.00 173.10 173.86 2k77 h THR 105 N -1.09 1.06 -0.43 0.90 1.35 -1.93 -1.60 112.91 111.17 2k77 h THR 105 Ca -0.44 -0.35 0.09 0.00 -0.55 0.00 0.00 66.41 65.16 2k77 h THR 105 Cb 1.28 -0.05 -0.09 0.00 -1.73 0.00 0.00 68.15 67.56 2k77 h THR 105 CO 0.51 0.19 -0.19 1.05 -0.25 0.00 0.00 175.52 176.83 2k77 h GLU 106 N 1.02 -0.10 0.00 4.72 9.09 -1.94 -1.82 114.58 125.56 2k77 h GLU 106 Ca 0.39 0.01 -0.11 0.00 0.05 0.00 0.00 59.36 59.70 2k77 h GLU 106 Cb 0.21 0.02 -0.02 0.00 -1.65 0.00 0.00 28.75 27.32 2k77 h GLU 106 CO -0.15 -0.06 -0.51 0.45 0.05 0.00 0.00 179.01 178.79 2k77 h HIS 107 N -0.10 0.00 -0.28 2.06 3.86 -1.69 -1.53 115.15 117.46 2k77 h HIS 107 Ca 0.21 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.41 2k77 h HIS 107 Cb 0.42 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.88 2k77 h HIS 107 CO -0.44 0.51 0.14 0.82 0.86 0.00 0.00 177.93 179.82 2k77 h ILE 108 N 0.00 1.14 -0.63 2.45 2.04 -0.94 -0.82 117.51 120.75 2k77 h ILE 108 Ca -0.01 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.43 2k77 h ILE 108 Cb 1.02 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2k77 h ILE 108 CO 0.07 0.14 0.28 0.25 0.00 0.00 0.00 178.15 178.89 2k77 h LEU 109 N 0.33 0.85 -1.03 1.44 5.85 -0.99 -0.87 115.31 120.89 2k77 h LEU 109 Ca 0.10 -0.15 0.07 0.00 0.84 0.00 0.00 57.88 58.74 2k77 h LEU 109 Cb 0.10 -0.22 -0.07 0.00 0.37 0.00 0.00 40.66 40.84 2k77 h LEU 109 CO -0.01 0.77 0.64 -0.07 -0.34 0.00 0.00 178.44 179.43 2k77 h LEU 110 N 0.88 1.01 -0.61 2.25 3.38 -1.17 -1.90 115.31 119.15 2k77 h LEU 110 Ca 0.21 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 2k77 h LEU 110 Cb 0.16 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 2k77 h LEU 110 CO -0.02 0.63 0.31 1.23 0.09 0.00 0.00 178.44 180.68 2k77 h GLY 111 N 1.14 0.93 1.01 0.83 0.00 -0.47 -0.58 103.07 105.93 2k77 h GLY 111 Ca 0.44 -0.44 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2k77 h GLY 111 CO -0.18 0.42 0.45 1.41 0.00 0.00 0.00 176.54 178.64 2k77 h LEU 112 N 0.83 0.85 -0.14 3.11 3.38 -0.47 -1.95 115.31 120.91 2k77 h LEU 112 Ca 0.21 -0.05 -0.21 0.00 0.09 0.00 0.00 57.88 57.93 2k77 h LEU 112 Cb 0.09 -0.21 0.01 0.00 0.09 0.00 0.00 40.66 40.63 2k77 h LEU 112 CO -0.03 0.64 -0.72 0.16 0.09 0.00 0.00 178.44 178.59 2k77 h ILE 113 N 0.98 1.30 -0.29 1.22 3.07 -1.29 -3.31 117.51 119.18 2k77 h ILE 113 Ca 0.26 -1.94 -0.03 0.00 1.55 0.00 0.00 64.86 64.70 2k77 h ILE 113 Cb -0.07 2.03 -0.02 0.00 -0.27 0.00 0.00 36.82 38.50 2k77 h ILE 113 CO -0.05 0.61 0.05 -0.09 -1.05 0.00 0.00 178.15 177.62 2k77 h ARG 114 N 0.44 0.42 -0.25 0.16 9.65 -0.91 -2.97 114.38 120.92 2k77 h ARG 114 Ca -0.05 -0.06 -0.09 0.00 -1.10 0.00 0.00 59.98 58.67 2k77 h ARG 114 Cb 1.35 -0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.85 2k77 h ARG 114 CO 0.15 0.41 -0.21 1.49 2.80 0.00 0.00 179.97 184.60 2k77 h GLU 115 N 0.42 0.59 0.00 0.20 4.22 -1.46 -3.47 114.58 115.07 2k77 h GLU 115 Ca 0.10 -0.30 0.00 0.00 0.08 0.00 0.00 59.36 59.24 2k77 h GLU 115 Cb 0.19 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.45 2k77 h GLU 115 CO -0.00 0.89 0.00 0.41 -2.18 0.00 0.00 179.01 178.13 2k77 n GLY 116 N 0.12 0.78 0.05 1.92 0.00 -1.13 -4.74 105.19 102.19 2k77 n GLY 116 Ca -0.04 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.92 2k77 n GLY 116 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2k77 n GLU 117 N -2.00 1.54 -0.61 1.61 2.13 -1.26 -4.88 120.64 117.17 2k77 n GLU 117 Ca 0.00 0.03 -0.30 0.00 0.66 0.00 0.00 57.16 57.54 2k77 n GLU 117 Cb 0.00 -1.21 0.20 0.00 0.27 0.00 0.00 31.44 30.69 2k77 n GLU 117 CO 0.00 0.00 0.00 0.20 -0.41 0.00 0.00 177.13 176.92 2k77 s GLY 118 N -4.49 1.64 0.36 8.31 0.00 -1.26 -4.90 107.32 106.98 2k77 s GLY 118 Ca -0.09 0.39 0.06 0.00 0.00 0.00 0.00 44.72 45.08 2k77 s GLY 118 CO 0.30 0.91 1.95 -2.08 0.00 0.00 0.00 173.10 174.18 2k77 h VAL 119 N -2.16 1.02 -0.64 1.40 2.07 -1.96 -2.95 116.25 113.03 2k77 h VAL 119 Ca -0.49 -0.26 0.05 0.00 0.82 0.00 0.00 66.70 66.82 2k77 h VAL 119 Cb 1.29 0.18 -0.05 0.00 -1.52 0.00 0.00 31.29 31.19 2k77 h VAL 119 CO 0.44 0.14 0.35 0.00 0.02 0.00 0.00 177.57 178.52 2k77 h ALA 120 N 1.60 0.84 -0.42 1.67 0.00 -1.92 0.11 119.26 121.14 2k77 h ALA 120 Ca 0.32 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.20 2k77 h ALA 120 Cb 0.27 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 2k77 h ALA 120 CO -0.11 0.03 0.05 0.00 0.00 0.00 0.00 179.25 179.22 2k77 h ALA 121 N 1.33 1.31 -0.14 0.00 0.00 -1.69 -2.25 119.26 117.81 2k77 h ALA 121 Ca 0.28 -0.20 -0.20 0.00 0.00 0.00 0.00 54.91 54.80 2k77 h ALA 121 Cb 0.17 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.78 2k77 h ALA 121 CO -0.17 0.48 -0.71 0.00 0.00 0.00 0.00 179.25 178.85 2k77 h ARG 122 N 0.63 0.61 -0.14 0.00 3.08 -1.29 -2.28 114.38 114.99 2k77 h ARG 122 Ca 0.14 -0.47 0.02 0.00 0.07 0.00 0.00 59.98 59.74 2k77 h ARG 122 Cb 0.31 0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.43 2k77 h ARG 122 CO 0.01 1.09 -0.00 0.28 -1.07 0.00 0.00 179.97 180.28 2k77 h VAL 123 N 0.43 0.90 -0.52 2.04 2.07 -0.68 -0.35 116.25 120.14 2k77 h VAL 123 Ca -0.03 -0.02 0.00 0.00 0.82 0.00 0.00 66.70 67.47 2k77 h VAL 123 Cb 1.30 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 31.90 2k77 h VAL 123 CO 0.14 0.01 0.33 -0.07 0.02 0.00 0.00 177.57 177.99 2k77 h LEU 124 N 0.05 0.61 -1.02 2.57 3.38 -1.39 -1.63 115.31 117.86 2k77 h LEU 124 Ca 0.06 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 2k77 h LEU 124 Cb 0.08 -0.15 -0.01 0.00 0.09 0.00 0.00 40.66 40.66 2k77 h LEU 124 CO -0.11 0.47 -0.25 0.78 0.09 0.00 0.00 178.44 179.42 2k77 h ASN 125 N 0.70 0.40 -0.52 -0.43 2.35 -1.23 0.27 115.58 117.13 2k77 h ASN 125 Ca 0.19 -0.13 -0.11 0.00 -0.55 0.00 0.00 56.30 55.70 2k77 h ASN 125 Cb -0.04 -0.11 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 2k77 h ASN 125 CO -0.04 0.65 -0.12 0.78 -1.65 0.00 0.00 177.43 177.06 2k77 h ASN 126 N 0.36 1.00 0.56 5.81 4.21 -0.75 -3.21 115.58 123.56 2k77 h ASN 126 Ca 0.06 -0.36 -0.16 0.00 1.21 0.00 0.00 56.30 57.05 2k77 h ASN 126 Cb 0.63 -0.27 -0.02 0.00 -1.12 0.00 0.00 38.32 37.54 2k77 h ASN 126 CO 0.05 1.12 -0.72 -0.07 -1.29 0.00 0.00 177.43 176.51 2k77 h LEU 127 N 0.86 0.16 0.00 1.61 3.38 -1.09 -3.48 115.31 116.75 2k77 h LEU 127 Ca 0.13 -0.11 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2k77 h LEU 127 Cb 0.68 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.39 2k77 h LEU 127 CO 0.05 0.83 0.00 0.61 0.09 0.00 0.00 178.44 180.01 2k77 n GLY 128 N 0.53 1.10 3.83 0.83 0.00 -0.32 -5.09 105.19 106.08 2k77 n GLY 128 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -1.68 4.81 0.23 1.61 1.01 -0.07 -4.97 120.40 121.34 2k77 s VAL 129 Ca 0.00 0.99 0.03 0.00 0.00 0.00 0.00 61.98 63.01 2k77 s VAL 129 Cb 0.00 -3.80 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2k77 s VAL 129 CO 0.00 0.38 0.01 -0.44 0.00 0.00 0.00 175.10 175.05 2k77 s SER 130 N -1.44 1.77 0.19 3.32 0.01 -1.26 -3.26 113.70 113.03 2k77 s SER 130 Ca 0.34 -1.23 -0.20 0.00 1.31 0.00 0.00 55.95 56.16 2k77 s SER 130 Cb -0.17 0.02 0.14 0.00 0.21 0.00 0.00 66.02 66.23 2k77 s SER 130 CO 0.19 -0.53 1.58 -0.07 0.41 0.00 0.00 173.24 174.82 2k77 h LEU 131 N 2.46 -1.16 -0.44 2.44 3.38 -1.99 -0.86 115.31 119.15 2k77 h LEU 131 Ca -0.38 0.23 -0.16 0.00 0.09 0.00 0.00 57.88 57.66 2k77 h LEU 131 Cb 1.22 0.58 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 2k77 h LEU 131 CO 0.64 -0.30 -0.39 0.78 0.09 0.00 0.00 178.44 179.26 2k77 h ASN 132 N -0.14 0.93 -0.39 -0.43 2.35 -1.98 -0.68 115.58 115.24 2k77 h ASN 132 Ca 0.25 -0.43 -0.02 0.00 -0.55 0.00 0.00 56.30 55.55 2k77 h ASN 132 Cb 0.55 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.64 2k77 h ASN 132 CO -0.71 1.21 0.15 0.11 -1.65 0.00 0.00 177.43 176.54 2k77 h LYS 133 N 0.71 0.58 0.09 0.81 1.57 -1.82 -1.43 116.57 117.08 2k77 h LYS 133 Ca 0.06 -0.11 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2k77 h LYS 133 Cb 0.97 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 33.19 2k77 h LYS 133 CO 0.09 0.56 -0.04 0.00 -0.57 0.00 0.00 179.45 179.49 2k77 h ALA 134 N 1.00 -0.12 -0.32 3.86 0.00 -1.19 -3.12 119.26 119.37 2k77 h ALA 134 Ca 0.13 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.89 2k77 h ALA 134 Cb 0.19 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 2k77 h ALA 134 CO -0.01 -0.40 0.17 0.00 0.00 0.00 0.00 179.25 179.00 2k77 h ARG 135 N -0.44 0.34 -0.41 0.00 3.08 -1.01 -0.28 114.38 115.66 2k77 h ARG 135 Ca -0.01 -0.02 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 2k77 h ARG 135 Cb 0.37 -0.08 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 2k77 h ARG 135 CO 0.02 0.22 -0.12 1.96 -1.07 0.00 0.00 179.97 180.98 2k77 h GLN 136 N 0.35 0.73 -0.17 0.04 7.50 -1.38 0.58 115.11 122.76 2k77 h GLN 136 Ca 0.13 -0.24 -0.06 0.00 0.50 0.00 0.00 58.65 58.98 2k77 h GLN 136 Cb 0.04 -0.06 -0.00 0.00 0.05 0.00 0.00 27.48 27.50 2k77 h GLN 136 CO -0.09 0.82 -0.13 1.96 -1.50 0.00 0.00 178.83 179.90 2k77 h GLN 137 N 0.66 0.38 -0.36 1.46 1.08 -1.41 -2.23 115.11 114.70 2k77 h GLN 137 Ca 0.11 -0.19 -0.05 0.00 -1.45 0.00 0.00 58.65 57.08 2k77 h GLN 137 Cb 0.58 -0.00 -0.01 0.00 -0.05 0.00 0.00 27.48 28.00 2k77 h GLN 137 CO 0.04 0.73 0.03 0.28 -0.95 0.00 0.00 178.83 178.96 2k77 h VAL 138 N 0.04 1.25 0.00 -0.54 2.07 -0.91 0.20 116.25 118.37 2k77 h VAL 138 Ca 0.03 -0.90 -0.05 0.00 0.82 0.00 0.00 66.70 66.60 2k77 h VAL 138 Cb 0.64 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.54 2k77 h VAL 138 CO 0.03 0.30 -0.25 -0.07 0.02 0.00 0.00 177.57 177.60 2k77 h LEU 139 N 0.43 0.00 0.00 2.57 3.38 -0.96 -2.22 115.31 118.51 2k77 h LEU 139 Ca 0.10 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.07 2k77 h LEU 139 Cb 0.40 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.15 2k77 h LEU 139 CO 0.01 0.25 -0.00 1.56 0.09 0.00 0.00 178.44 180.35 2k77 h GLN 140 N 0.00 -0.00 0.00 1.13 4.20 -1.30 -3.40 115.11 115.74 2k77 h GLN 140 Ca -0.00 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2k77 h GLN 140 Cb 0.73 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.51 2k77 h GLN 140 CO 0.03 0.73 -0.00 1.25 -0.67 0.00 0.00 178.83 180.17 2k77 h LEU 141 N -0.99 0.00 -0.02 1.46 5.85 -0.83 0.16 115.31 120.94 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 0.73 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.76 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 -3.10 0.01 0.00 2.25 -0.00 -0.85 -4.68 117.00 110.64 2k77 n LEU 142 Ca -0.00 0.50 0.00 0.00 -0.00 0.00 0.00 56.01 56.51 2k77 n LEU 142 Cb 0.24 -0.50 0.00 0.00 -0.00 0.00 0.00 43.42 43.16 2k77 n LEU 142 CO 0.25 -0.37 0.00 0.61 -0.00 0.00 0.00 177.39 177.88 2k77 n GLY 143 N -0.68 -0.31 0.15 1.47 0.00 -1.03 -5.05 105.19 99.74 2k77 n GLY 143 Ca 0.02 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.07 2k77 n GLY 143 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k77 n SER 144 N 0.00 1.04 0.00 1.61 7.64 0.38 -5.12 113.62 119.17 2k77 n SER 144 Ca 0.00 -1.02 0.07 0.00 1.01 0.00 0.00 58.87 58.93 2k77 n SER 144 Cb 0.00 0.34 0.42 0.00 -1.01 0.00 0.00 64.21 63.96 2k77 n SER 144 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83