#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1sqe n MET 17 N 0.00 0.54 -4.30 1.57 2.00 -1.25 -4.09 117.12 111.59 1sqe n MET 17 Ca 0.00 0.25 -0.18 0.00 0.00 0.00 0.00 57.70 57.77 1sqe n MET 17 Cb 0.00 -2.35 -0.14 0.00 0.00 0.00 0.00 33.22 30.74 1sqe n MET 17 CO 0.00 0.00 0.00 0.12 0.00 0.00 0.00 175.97 176.09 1sqe s PHE 18 N -1.82 0.92 -0.04 2.03 5.36 0.46 -1.66 117.98 123.22 1sqe s PHE 18 Ca 0.75 -0.28 0.03 0.00 -0.96 0.00 0.00 56.93 56.48 1sqe s PHE 18 Cb -0.34 -0.56 0.00 0.00 -0.34 0.00 0.00 43.02 41.78 1sqe s PHE 18 CO 0.48 -0.01 -0.14 1.41 -1.46 0.00 0.00 175.22 175.51 1sqe s MET 19 N -0.77 1.55 0.03 10.12 -2.45 -0.40 0.03 119.30 127.42 1sqe s MET 19 Ca 0.00 -0.49 0.08 0.00 -1.25 0.00 0.00 55.69 54.03 1sqe s MET 19 Cb -0.06 -1.35 -0.03 0.00 1.25 0.00 0.00 34.83 34.64 1sqe s MET 19 CO 0.00 0.16 -0.21 0.00 1.05 0.00 0.00 175.02 176.02 1sqe s ALA 20 N 0.21 2.45 -0.05 4.11 0.00 -0.54 -0.32 121.76 127.62 1sqe s ALA 20 Ca -0.06 -1.20 0.03 0.00 0.00 0.00 0.00 51.96 50.74 1sqe s ALA 20 Cb -0.12 -0.65 0.00 0.00 0.00 0.00 0.00 23.12 22.36 1sqe s ALA 20 CO 0.02 0.55 -0.15 -2.00 0.00 0.00 0.00 175.76 174.19 1sqe s GLU 21 N -1.25 1.70 -0.38 0.00 2.12 0.32 -1.47 118.70 119.74 1sqe s GLU 21 Ca 0.13 -0.51 -0.04 0.00 0.36 0.00 0.00 54.97 54.91 1sqe s GLU 21 Cb -0.10 -1.45 0.09 0.00 0.26 0.00 0.00 34.13 32.93 1sqe s GLU 21 CO 0.03 0.14 0.16 1.21 -0.54 0.00 0.00 175.26 176.26 1sqe s ASN 22 N 0.30 5.22 -0.29 -1.70 2.47 -0.18 -1.40 114.94 119.36 1sqe s ASN 22 Ca -0.08 -1.74 -0.16 0.00 0.42 0.00 0.00 52.86 51.30 1sqe s ASN 22 Cb -0.13 -1.82 -0.03 0.00 -1.45 0.00 0.00 41.25 37.82 1sqe s ASN 22 CO 0.03 -0.46 0.42 -0.60 -3.72 0.00 0.00 177.10 172.76 1sqe s ARG 23 N 1.22 3.92 -0.10 0.43 3.52 0.42 -1.45 118.95 126.90 1sqe s ARG 23 Ca 0.04 0.01 0.01 0.00 -0.13 0.00 0.00 55.73 55.66 1sqe s ARG 23 Cb -0.22 -3.69 -0.02 0.00 -1.56 0.00 0.00 34.95 29.46 1sqe s ARG 23 CO -0.02 -0.37 -0.14 -0.51 -0.81 0.00 0.00 175.30 173.44 1sqe s LEU 24 N 2.15 2.66 -0.20 -0.88 1.43 0.71 -0.85 118.68 123.70 1sqe s LEU 24 Ca 0.16 -0.31 -0.06 0.00 -1.03 0.00 0.00 54.13 52.89 1sqe s LEU 24 Cb -0.16 -1.57 -0.03 0.00 0.03 0.00 0.00 46.19 44.46 1sqe s LEU 24 CO 0.10 0.22 0.02 -1.10 0.23 0.00 0.00 176.35 175.83 1sqe s GLN 25 N 0.04 3.72 0.35 1.70 -1.52 -0.52 -1.27 119.66 122.16 1sqe s GLN 25 Ca -0.05 -0.47 0.09 0.00 -1.95 0.00 0.00 55.36 52.98 1sqe s GLN 25 Cb -0.15 -3.14 -0.06 0.00 -0.22 0.00 0.00 33.01 29.45 1sqe s GLN 25 CO 0.04 0.07 0.02 -0.51 -0.25 0.00 0.00 175.29 174.67 1sqe s LEU 26 N 0.87 2.98 0.27 2.90 1.02 0.36 0.70 118.68 127.78 1sqe s LEU 26 Ca 0.02 -1.02 -0.30 0.00 0.02 0.00 0.00 54.13 52.84 1sqe s LEU 26 Cb -0.14 -1.32 -0.12 0.00 0.02 0.00 0.00 46.19 44.62 1sqe s LEU 26 CO 0.02 -0.27 1.56 1.67 0.02 0.00 0.00 176.35 179.35 1sqe n GLN 27 N -0.97 2.54 -1.68 1.70 -0.06 0.66 -1.71 117.38 117.86 1sqe n GLN 27 Ca -0.04 0.90 -0.49 0.00 -2.00 0.00 0.00 57.00 55.37 1sqe n GLN 27 Cb 0.63 -2.66 -0.05 0.00 -4.06 0.00 0.00 30.24 24.10 1sqe n GLN 27 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 1sqe n LYS 28 N 2.23 1.98 -0.15 3.69 3.00 -1.26 -1.04 118.16 126.61 1sqe n LYS 28 Ca 0.10 0.72 0.00 0.00 -0.00 0.00 0.00 58.31 59.13 1sqe n LYS 28 Cb 0.35 -2.52 0.00 0.00 0.00 0.00 0.00 35.03 32.87 1sqe n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1sqe n GLY 29 N 4.00 0.81 0.45 3.14 0.00 -1.26 -4.92 105.19 107.40 1sqe n GLY 29 Ca 0.21 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.37 1sqe n GLY 29 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1sqe n SER 30 N 0.00 1.50 0.21 1.61 3.41 -0.21 -4.45 113.62 115.70 1sqe n SER 30 Ca 0.00 -1.35 -0.15 0.00 -0.26 0.00 0.00 58.87 57.11 1sqe n SER 30 Cb 0.00 0.06 -0.07 0.00 -0.26 0.00 0.00 64.21 63.94 1sqe n SER 30 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1sqe h ALA 31 N 4.16 -0.60 -1.04 7.33 0.00 -1.92 -2.18 119.26 125.00 1sqe h ALA 31 Ca 0.00 -0.10 0.27 0.00 0.00 0.00 0.00 54.91 55.07 1sqe h ALA 31 Cb 0.55 0.36 -0.11 0.00 0.00 0.00 0.00 17.79 18.59 1sqe h ALA 31 CO 0.00 -0.86 0.65 0.93 0.00 0.00 0.00 179.25 179.96 1sqe h GLU 32 N -0.61 0.43 0.00 0.00 3.07 -1.99 0.43 114.58 115.92 1sqe h GLU 32 Ca -0.03 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.81 1sqe h GLU 32 Cb 0.53 -0.10 0.00 0.00 -0.84 0.00 0.00 28.75 28.34 1sqe h GLU 32 CO -0.01 0.29 -1.00 -0.85 -1.40 0.00 0.00 179.01 176.04 1sqe n GLU 33 N -4.74 0.43 -0.12 2.33 0.28 -1.18 -4.50 120.64 113.14 1sqe n GLU 33 Ca 0.27 0.05 -0.18 0.00 -0.16 0.00 0.00 57.16 57.13 1sqe n GLU 33 Cb 0.86 -1.69 -0.10 0.00 1.43 0.00 0.00 31.44 31.93 1sqe n GLU 33 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1sqe n THR 34 N -2.27 1.34 -0.27 3.84 -1.04 -0.40 -4.75 114.28 110.75 1sqe n THR 34 Ca 0.01 -0.48 0.08 0.00 -2.04 0.00 0.00 64.05 61.62 1sqe n THR 34 Cb 0.49 -1.42 0.21 0.00 -1.82 0.00 0.00 70.33 67.78 1sqe n THR 34 CO 0.00 0.00 0.00 -0.29 -0.64 0.00 0.00 175.07 174.14 1sqe h ILE 35 N -0.17 0.41 -0.34 12.58 2.10 -0.43 -2.82 117.51 128.84 1sqe h ILE 35 Ca -0.54 -0.07 0.10 0.00 1.08 0.00 0.00 64.86 65.42 1sqe h ILE 35 Cb 1.76 0.18 -0.01 0.00 -1.09 0.00 0.00 36.82 37.66 1sqe h ILE 35 CO -0.14 0.04 0.44 -0.33 -1.08 0.00 0.00 178.15 177.08 1sqe h GLU 36 N 0.21 0.00 -0.18 2.19 5.08 -1.83 -0.04 114.58 120.01 1sqe h GLU 36 Ca 0.46 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.74 1sqe h GLU 36 Cb 0.83 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 1sqe h GLU 36 CO -0.59 0.00 -0.21 0.07 -1.00 0.00 0.00 179.01 177.27 1sqe h ARG 37 N 0.00 0.32 0.00 2.33 0.11 -1.85 -2.29 114.38 113.00 1sqe h ARG 37 Ca 0.16 -0.10 0.00 0.00 0.10 0.00 0.00 59.98 60.14 1sqe h ARG 37 Cb 1.04 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.09 1sqe h ARG 37 CO -0.00 0.52 0.00 1.19 0.10 0.00 0.00 179.97 181.78 1sqe n PHE 38 N -4.18 0.00 0.97 4.08 3.72 -0.03 -2.64 117.46 119.38 1sqe n PHE 38 Ca -0.01 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.53 1sqe n PHE 38 Cb 0.35 -0.24 0.60 0.00 -0.94 0.00 0.00 39.48 39.25 1sqe n PHE 38 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1sqe n TYR 39 N -1.24 0.00 -2.33 1.38 4.02 -0.86 -4.76 117.16 113.38 1sqe n TYR 39 Ca 0.11 0.00 -0.43 0.00 -0.01 0.00 0.00 57.90 57.57 1sqe n TYR 39 Cb 0.15 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 38.96 1sqe n TYR 39 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 176.86 177.06 1sqe s ASN 40 N -2.97 6.82 0.23 7.72 3.84 -1.08 -4.90 114.94 124.60 1sqe s ASN 40 Ca 0.14 1.73 0.04 0.00 0.21 0.00 0.00 52.86 54.98 1sqe s ASN 40 Cb 0.18 -2.54 0.22 0.00 -0.55 0.00 0.00 41.25 38.56 1sqe s ASN 40 CO 0.50 -0.86 1.54 0.03 -2.79 0.00 0.00 177.10 175.51 1sqe h ARG 41 N 8.74 0.25 -6.25 0.43 3.08 -1.92 -3.48 114.38 115.23 1sqe h ARG 41 Ca -0.29 -0.18 -0.45 0.00 0.07 0.00 0.00 59.98 59.13 1sqe h ARG 41 Cb 1.12 0.03 0.00 0.00 0.08 0.00 0.00 29.97 31.20 1sqe h ARG 41 CO 0.98 0.79 -0.84 1.04 -1.07 0.00 0.00 179.97 180.88 1sqe n GLN 42 N -3.85 -4.51 -1.13 0.04 6.02 -1.26 -2.18 117.38 110.51 1sqe n GLN 42 Ca -0.03 0.55 -0.04 0.00 -0.01 0.00 0.00 57.00 57.47 1sqe n GLN 42 Cb 0.64 -5.05 -0.02 0.00 1.02 0.00 0.00 30.24 26.83 1sqe n GLN 42 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1sqe n GLY 43 N -1.70 0.68 0.24 1.08 0.00 -1.26 -4.68 105.19 99.55 1sqe n GLY 43 Ca -0.24 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.46 1sqe n GLY 43 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1sqe h ILE 44 N 0.00 1.12 0.00 -0.61 2.10 -1.82 -1.98 117.51 116.32 1sqe h ILE 44 Ca -0.09 -0.55 0.00 0.00 1.08 0.00 0.00 64.86 65.30 1sqe h ILE 44 Cb 0.46 1.20 0.00 0.00 -1.09 0.00 0.00 36.82 37.39 1sqe h ILE 44 CO 0.13 0.17 0.00 -1.84 -1.08 0.00 0.00 178.15 175.53 1sqe n GLU 45 N -4.35 0.54 0.00 2.19 0.00 -1.26 -2.40 120.64 115.36 1sqe n GLU 45 Ca -0.02 0.03 0.14 0.00 0.00 0.00 0.00 57.16 57.31 1sqe n GLU 45 Cb 0.22 -1.50 0.50 0.00 0.00 0.00 0.00 31.44 30.65 1sqe n GLU 45 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.13 177.38 1sqe n THR 46 N -1.15 0.00 -3.17 3.84 -2.24 -0.74 -4.82 114.28 106.00 1sqe n THR 46 Ca 0.15 -0.13 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 1sqe n THR 46 Cb 0.14 0.24 -0.06 0.00 -2.10 0.00 0.00 70.33 68.55 1sqe n THR 46 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 1sqe s ILE 47 N -2.37 5.07 0.18 2.28 -1.09 -1.01 -5.02 121.20 119.24 1sqe s ILE 47 Ca 0.29 1.15 -0.32 0.00 -2.23 0.00 0.00 60.65 59.54 1sqe s ILE 47 Cb 0.20 -3.92 -0.11 0.00 -1.58 0.00 0.00 42.46 37.05 1sqe s ILE 47 CO 0.46 0.19 1.74 -0.70 -1.23 0.00 0.00 174.94 175.40 1sqe s GLU 48 N 1.44 4.13 0.00 2.79 2.56 -1.26 -1.77 118.70 126.59 1sqe s GLU 48 Ca 0.29 2.59 0.00 0.00 0.00 0.00 0.00 54.97 57.84 1sqe s GLU 48 Cb -0.16 -3.20 0.00 0.00 2.00 0.00 0.00 34.13 32.77 1sqe s GLU 48 CO 0.11 -0.76 0.00 0.41 -0.56 0.00 0.00 175.26 174.46 1sqe n GLY 49 N 4.02 3.19 3.73 -1.50 0.00 -1.26 -4.74 105.19 108.63 1sqe n GLY 49 Ca 0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1sqe n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1sqe s PHE 50 N -2.79 3.18 -0.02 1.61 5.36 -0.73 -1.00 117.98 123.59 1sqe s PHE 50 Ca 0.00 1.07 -0.01 0.00 -0.96 0.00 0.00 56.93 57.02 1sqe s PHE 50 Cb 0.00 -3.70 -0.01 0.00 -0.34 0.00 0.00 43.02 38.97 1sqe s PHE 50 CO 0.00 -2.31 -0.03 1.04 -1.46 0.00 0.00 175.22 172.46 1sqe n GLN 51 N 2.96 0.05 -3.80 10.12 6.02 0.45 -4.93 117.38 128.25 1sqe n GLN 51 Ca 0.08 0.02 -0.09 0.00 -0.01 0.00 0.00 57.00 57.00 1sqe n GLN 51 Cb 0.42 -0.61 -0.06 0.00 1.02 0.00 0.00 30.24 31.00 1sqe n GLN 51 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1sqe s GLN 52 N -2.04 0.96 -0.03 -1.09 -0.21 -1.03 -4.98 119.66 111.24 1sqe s GLN 52 Ca -0.03 -0.91 -0.02 0.00 0.02 0.00 0.00 55.36 54.42 1sqe s GLN 52 Cb 0.01 0.39 0.02 0.00 1.00 0.00 0.00 33.01 34.43 1sqe s GLN 52 CO 0.04 -0.34 0.07 1.41 -2.12 0.00 0.00 175.29 174.35 1sqe s MET 53 N -3.86 0.04 0.02 2.91 -2.45 -1.26 -0.26 119.30 114.44 1sqe s MET 53 Ca 0.06 0.18 0.05 0.00 -1.25 0.00 0.00 55.69 54.73 1sqe s MET 53 Cb 0.04 -0.11 -0.02 0.00 1.25 0.00 0.00 34.83 35.99 1sqe s MET 53 CO -0.10 -0.10 -0.14 -0.06 1.05 0.00 0.00 175.02 175.67 1sqe s PHE 54 N 0.63 1.26 -0.16 4.11 0.40 0.52 -4.98 117.98 119.75 1sqe s PHE 54 Ca -0.05 -0.30 0.00 0.00 -0.60 0.00 0.00 56.93 55.98 1sqe s PHE 54 Cb -0.07 -0.78 0.03 0.00 0.51 0.00 0.00 43.02 42.72 1sqe s PHE 54 CO -0.02 0.01 -0.11 0.08 0.70 0.00 0.00 175.22 175.88 1sqe s VAL 55 N -0.60 1.47 0.25 -0.44 1.01 -1.26 -0.46 120.40 120.37 1sqe s VAL 55 Ca 0.04 -0.72 0.12 0.00 0.00 0.00 0.00 61.98 61.41 1sqe s VAL 55 Cb -0.07 -1.48 -0.05 0.00 0.00 0.00 0.00 36.38 34.78 1sqe s VAL 55 CO 0.00 0.30 -0.20 0.42 0.00 0.00 0.00 175.10 175.62 1sqe s THR 56 N 1.50 2.50 -0.13 3.92 -4.23 0.12 -4.96 115.64 114.36 1sqe s THR 56 Ca 0.02 -2.25 0.01 0.00 -1.18 0.00 0.00 61.69 58.29 1sqe s THR 56 Cb -0.14 -2.27 0.02 0.00 1.34 0.00 0.00 72.50 71.44 1sqe s THR 56 CO -0.09 -0.30 -0.15 -0.75 -0.54 0.00 0.00 174.62 172.79 1sqe s LYS 57 N -3.23 2.28 0.14 3.99 2.20 -1.26 -1.34 119.74 122.52 1sqe s LYS 57 Ca 0.27 -0.56 -0.31 0.00 -0.36 0.00 0.00 55.97 55.01 1sqe s LYS 57 Cb -0.06 -2.02 -0.08 0.00 -1.51 0.00 0.00 37.83 34.16 1sqe s LYS 57 CO 0.14 -0.16 1.36 0.99 -0.36 0.00 0.00 175.35 177.32 1sqe s THR 58 N 1.27 3.29 0.45 3.43 2.01 -0.18 -5.00 115.64 120.91 1sqe s THR 58 Ca -0.00 0.96 -0.20 0.00 0.31 0.00 0.00 61.69 62.76 1sqe s THR 58 Cb -0.14 -3.62 -0.10 0.00 0.01 0.00 0.00 72.50 68.65 1sqe s THR 58 CO -0.07 0.09 0.96 -0.76 -0.69 0.00 0.00 174.62 174.16 1sqe s LEU 59 N 0.75 3.86 -1.46 4.42 1.43 -1.26 -4.25 118.68 122.17 1sqe s LEU 59 Ca 0.62 1.67 -0.07 0.00 -1.03 0.00 0.00 54.13 55.32 1sqe s LEU 59 Cb -0.37 -4.53 0.03 0.00 0.03 0.00 0.00 46.19 41.35 1sqe s LEU 59 CO 0.33 -0.43 0.62 0.59 0.23 0.00 0.00 176.35 177.69 1sqe n ASN 60 N -0.87 -5.31 -4.86 2.29 4.13 -1.26 -5.00 115.26 104.38 1sqe n ASN 60 Ca 0.07 -0.36 -0.33 0.00 1.68 0.00 0.00 54.58 55.64 1sqe n ASN 60 Cb 0.54 -4.31 -0.06 0.00 -1.54 0.00 0.00 39.78 34.42 1sqe n ASN 60 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1sqe s THR 61 N -3.11 4.83 -0.05 3.41 -4.23 -1.26 -5.01 115.64 110.22 1sqe s THR 61 Ca 0.37 0.71 -0.01 0.00 -1.18 0.00 0.00 61.69 61.58 1sqe s THR 61 Cb -0.18 -3.65 -0.03 0.00 1.34 0.00 0.00 72.50 69.98 1sqe s THR 61 CO 0.45 -0.02 -0.05 -0.62 -0.54 0.00 0.00 174.62 173.84 1sqe n GLU 62 N 0.04 0.12 -0.11 3.99 1.02 -1.26 -4.77 120.64 119.67 1sqe n GLU 62 Ca 0.00 0.04 -0.07 0.00 -0.02 0.00 0.00 57.16 57.11 1sqe n GLU 62 Cb 0.52 -0.95 0.11 0.00 -0.02 0.00 0.00 31.44 31.10 1sqe n GLU 62 CO 0.00 0.00 0.00 -0.44 1.18 0.00 0.00 177.13 177.87 1sqe h ASP 63 N -0.07 0.80 -5.08 1.62 3.32 -1.99 -3.47 116.42 111.54 1sqe h ASP 63 Ca -0.12 -0.25 -0.04 0.00 0.02 0.00 0.00 57.03 56.64 1sqe h ASP 63 Cb 1.15 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.47 1sqe h ASP 63 CO -0.04 0.94 0.18 0.42 -1.72 0.00 0.00 179.24 179.02 1sqe s THR 64 N -4.78 0.00 -0.09 0.35 -4.23 -1.26 -4.40 115.64 101.22 1sqe s THR 64 Ca -0.10 -1.10 -0.09 0.00 -1.18 0.00 0.00 61.69 59.22 1sqe s THR 64 Cb 0.14 -2.68 -0.04 0.00 1.34 0.00 0.00 72.50 71.25 1sqe s THR 64 CO 0.83 0.00 0.21 -1.81 -0.54 0.00 0.00 174.62 173.30 1sqe s ASP 65 N -3.07 6.49 -0.15 3.99 1.11 -0.70 -4.71 116.67 119.64 1sqe s ASP 65 Ca 0.17 0.59 0.02 0.00 0.18 0.00 0.00 52.55 53.51 1sqe s ASP 65 Cb -0.04 -2.11 0.01 0.00 1.07 0.00 0.00 42.92 41.85 1sqe s ASP 65 CO 0.12 0.39 -0.21 -0.70 1.18 0.00 0.00 175.17 175.95 1sqe s GLU 66 N -1.03 2.98 -0.05 8.23 2.12 -1.26 -0.48 118.70 129.20 1sqe s GLU 66 Ca 0.17 -0.83 0.05 0.00 0.36 0.00 0.00 54.97 54.72 1sqe s GLU 66 Cb -0.13 -2.46 -0.02 0.00 0.26 0.00 0.00 34.13 31.78 1sqe s GLU 66 CO 0.06 -0.09 -0.20 0.08 -0.54 0.00 0.00 175.26 174.57 1sqe s VAL 67 N 1.00 2.50 -0.02 3.70 1.01 -0.40 -1.02 120.40 127.17 1sqe s VAL 67 Ca -0.03 -0.92 0.04 0.00 0.00 0.00 0.00 61.98 61.07 1sqe s VAL 67 Cb -0.15 -1.94 -0.01 0.00 0.00 0.00 0.00 36.38 34.29 1sqe s VAL 67 CO -0.06 0.58 -0.13 -0.54 0.00 0.00 0.00 175.10 174.94 1sqe s LYS 68 N -0.42 1.16 -0.28 2.72 1.02 -0.45 -0.21 119.74 123.27 1sqe s LYS 68 Ca 0.04 -0.48 -0.01 0.00 0.02 0.00 0.00 55.97 55.55 1sqe s LYS 68 Cb -0.12 -1.10 0.05 0.00 -0.52 0.00 0.00 37.83 36.14 1sqe s LYS 68 CO 0.02 0.26 -0.04 0.42 -0.92 0.00 0.00 175.35 175.09 1sqe s ILE 69 N -0.22 2.76 -0.18 2.17 1.01 -0.53 -0.70 121.20 125.51 1sqe s ILE 69 Ca 0.03 -1.40 -0.05 0.00 0.00 0.00 0.00 60.65 59.23 1sqe s ILE 69 Cb -0.06 -2.57 -0.03 0.00 0.01 0.00 0.00 42.46 39.81 1sqe s ILE 69 CO -0.00 -0.05 -0.00 -0.76 0.00 0.00 0.00 174.94 174.13 1sqe s LEU 70 N 1.22 3.36 -0.09 2.97 1.43 0.39 -1.01 118.68 126.96 1sqe s LEU 70 Ca -0.06 -0.11 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 1sqe s LEU 70 Cb -0.19 -1.83 0.00 0.00 0.03 0.00 0.00 46.19 44.20 1sqe s LEU 70 CO -0.03 0.13 -0.21 0.42 0.23 0.00 0.00 176.35 176.90 1sqe s THR 71 N 0.58 1.83 -0.20 5.49 -4.23 -0.54 -0.36 115.64 118.22 1sqe s THR 71 Ca -0.01 -0.88 -0.09 0.00 -1.18 0.00 0.00 61.69 59.53 1sqe s THR 71 Cb -0.14 -1.60 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 1sqe s THR 71 CO 0.02 0.51 0.10 -0.63 -0.54 0.00 0.00 174.62 174.08 1sqe s ILE 72 N 0.46 5.07 0.15 2.99 -1.09 0.64 -1.47 121.20 127.95 1sqe s ILE 72 Ca -0.17 0.07 0.06 0.00 -2.23 0.00 0.00 60.65 58.37 1sqe s ILE 72 Cb -0.17 -3.30 -0.04 0.00 -1.58 0.00 0.00 42.46 37.36 1sqe s ILE 72 CO 0.07 0.44 -0.12 0.26 -1.23 0.00 0.00 174.94 174.36 1sqe s TRP 73 N 0.45 1.39 -0.25 3.97 0.52 0.10 -0.41 118.94 124.72 1sqe s TRP 73 Ca 0.05 -0.65 0.28 0.00 0.02 0.00 0.00 56.10 55.80 1sqe s TRP 73 Cb -0.12 -0.70 0.98 0.00 -1.15 0.00 0.00 33.47 32.48 1sqe s TRP 73 CO -0.00 0.16 1.82 1.05 0.02 0.00 0.00 176.95 179.99 1sqe h GLU 74 N 2.99 0.00 -2.39 4.98 4.11 -1.35 0.13 114.58 123.05 1sqe h GLU 74 Ca -0.38 0.00 0.09 0.00 0.07 0.00 0.00 59.36 59.14 1sqe h GLU 74 Cb 1.20 0.00 -0.15 0.00 0.50 0.00 0.00 28.75 30.30 1sqe h GLU 74 CO 0.59 0.00 0.45 -1.54 0.07 0.00 0.00 179.01 178.58 1sqe s SER 75 N -5.37 -0.40 0.49 3.06 1.04 -1.26 -3.76 113.70 107.51 1sqe s SER 75 Ca 0.04 -0.00 0.26 0.00 0.48 0.00 0.00 55.95 56.73 1sqe s SER 75 Cb 0.08 0.42 1.24 0.00 0.10 0.00 0.00 66.02 67.87 1sqe s SER 75 CO 0.55 -0.68 1.97 -0.08 0.98 0.00 0.00 173.24 175.98 1sqe h GLU 76 N 2.00 0.00 -0.48 4.02 4.81 -1.89 -2.39 114.58 120.64 1sqe h GLU 76 Ca -0.24 0.00 -0.11 0.00 -0.13 0.00 0.00 59.36 58.88 1sqe h GLU 76 Cb 1.25 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 1sqe h GLU 76 CO 0.32 0.17 -0.12 -0.44 -0.73 0.00 0.00 179.01 178.20 1sqe h ASP 77 N 0.00 0.90 -0.45 1.04 3.32 -1.97 -1.22 116.42 118.04 1sqe h ASP 77 Ca -0.00 -0.29 0.03 0.00 0.02 0.00 0.00 57.03 56.79 1sqe h ASP 77 Cb 0.50 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.77 1sqe h ASP 77 CO 0.02 1.03 0.23 0.28 -1.72 0.00 0.00 179.24 179.08 1sqe h SER 78 N 0.80 0.34 -0.34 6.45 0.02 -1.72 -0.25 113.55 118.85 1sqe h SER 78 Ca 0.13 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.10 1sqe h SER 78 Cb 0.65 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 1sqe h SER 78 CO 0.05 0.24 0.20 0.15 -1.14 0.00 0.00 176.83 176.32 1sqe h PHE 79 N 0.46 0.45 -0.81 3.45 3.57 -1.35 -2.12 116.94 120.59 1sqe h PHE 79 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 1sqe h PHE 79 Cb 0.09 -0.15 -0.04 0.00 2.79 0.00 0.00 35.95 38.65 1sqe h PHE 79 CO -0.10 0.33 0.51 -0.91 -2.23 0.00 0.00 178.31 175.92 1sqe h ASN 80 N 0.43 0.95 -0.57 0.41 2.35 -0.70 -1.18 115.58 117.26 1sqe h ASN 80 Ca 0.12 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 1sqe h ASN 80 Cb 0.02 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.13 1sqe h ASN 80 CO -0.02 0.70 0.24 0.78 -1.65 0.00 0.00 177.43 177.48 1sqe h ASN 81 N 1.10 0.81 -0.38 5.81 2.35 -0.68 -1.06 115.58 123.53 1sqe h ASN 81 Ca 0.29 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1sqe h ASN 81 Cb -0.09 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.05 1sqe h ASN 81 CO -0.06 0.73 0.21 -0.25 -1.65 0.00 0.00 177.43 176.41 1sqe h TRP 82 N 0.87 0.52 -0.48 1.19 -0.00 -0.59 -0.63 115.95 116.83 1sqe h TRP 82 Ca 0.21 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.89 59.07 1sqe h TRP 82 Cb 0.18 -0.17 -0.02 0.00 -0.00 0.00 0.00 29.16 29.15 1sqe h TRP 82 CO 0.01 0.40 0.23 -0.07 -0.00 0.00 0.00 178.44 179.02 1sqe h LEU 83 N 0.48 0.60 -1.66 0.65 3.38 -0.53 -2.39 115.31 115.84 1sqe h LEU 83 Ca 0.13 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1sqe h LEU 83 Cb 0.06 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1sqe h LEU 83 CO -0.02 0.51 0.00 0.59 0.09 0.00 0.00 178.44 179.61 1sqe n ASN 84 N -4.39 2.45 -4.90 -0.43 3.02 -0.48 -4.72 115.26 105.81 1sqe n ASN 84 Ca 0.04 -1.89 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 1sqe n ASN 84 Cb 0.12 -0.23 0.05 0.00 -0.61 0.00 0.00 39.78 39.11 1sqe n ASN 84 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1sqe s SER 85 N -1.32 5.35 0.12 6.41 1.04 -0.28 -4.96 113.70 120.05 1sqe s SER 85 Ca 0.34 0.93 -0.08 0.00 0.48 0.00 0.00 55.95 57.62 1sqe s SER 85 Cb 0.18 -1.74 -0.11 0.00 0.10 0.00 0.00 66.02 64.46 1sqe s SER 85 CO 0.26 -1.34 1.31 0.44 0.98 0.00 0.00 173.24 174.89 1sqe h ASP 86 N -0.55 0.71 0.00 7.02 3.32 -1.90 -2.01 116.42 123.01 1sqe h ASP 86 Ca -0.45 -0.52 -0.00 0.00 0.02 0.00 0.00 57.03 56.08 1sqe h ASP 86 Cb 1.27 -0.21 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 1sqe h ASP 86 CO 0.63 1.31 -0.00 -0.37 -1.72 0.00 0.00 179.24 179.08 1sqe h VAL 87 N 0.35 0.95 0.06 -1.35 -1.51 -1.90 0.72 116.25 113.56 1sqe h VAL 87 Ca -0.07 -0.00 -0.15 0.00 -1.23 0.00 0.00 66.70 65.24 1sqe h VAL 87 Cb 1.51 1.00 0.01 0.00 -2.13 0.00 0.00 31.29 31.68 1sqe h VAL 87 CO 0.16 0.00 -0.63 0.15 -1.23 0.00 0.00 177.57 176.03 1sqe h PHE 88 N 0.00 0.53 0.13 5.19 3.57 -1.73 -2.66 116.94 121.96 1sqe h PHE 88 Ca -0.00 -0.33 -0.01 0.00 3.53 0.00 0.00 57.97 61.17 1sqe h PHE 88 Cb 0.00 -0.04 0.00 0.00 2.79 0.00 0.00 35.95 38.70 1sqe h PHE 88 CO 0.00 1.19 -0.06 -0.22 -2.23 0.00 0.00 178.31 176.98 1sqe h LYS 89 N -0.28 -0.17 -0.26 1.11 3.64 -0.51 -2.91 116.57 117.20 1sqe h LYS 89 Ca -0.09 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.36 1sqe h LYS 89 Cb 1.40 0.04 -0.07 0.00 -0.41 0.00 0.00 32.23 33.19 1sqe h LYS 89 CO 0.12 -0.04 -0.23 1.49 -2.27 0.00 0.00 179.45 178.53 1sqe h GLU 90 N -0.26 -0.21 0.00 1.90 4.22 0.30 -3.40 114.58 117.13 1sqe h GLU 90 Ca -0.02 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.44 1sqe h GLU 90 Cb 0.20 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1sqe h GLU 90 CO 0.03 -0.14 0.00 0.00 -2.18 0.00 0.00 179.01 176.72 1sqe n ALA 91 N -2.79 0.00 -2.78 2.92 0.00 -1.00 -5.09 120.51 111.76 1sqe n ALA 91 Ca -0.01 0.00 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1sqe n ALA 91 Cb 0.28 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.71 1sqe n ALA 91 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1sqe n HIS 92 N -2.26 -3.05 -1.90 0.00 8.25 -1.26 -4.92 115.22 110.08 1sqe n HIS 92 Ca 0.00 1.67 -0.38 0.00 -0.26 0.00 0.00 57.72 58.75 1sqe n HIS 92 Cb 0.00 -3.06 0.02 0.00 1.12 0.00 0.00 29.99 28.08 1sqe n HIS 92 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1sqe s ASP 101 N -0.73 5.60 0.23 0.41 1.01 -1.26 -5.00 116.67 116.94 1sqe s ASP 101 Ca -0.15 2.68 -0.30 0.00 0.71 0.00 0.00 52.55 55.49 1sqe s ASP 101 Cb 0.01 -2.63 -0.15 0.00 1.01 0.00 0.00 42.92 41.16 1sqe s ASP 101 CO 0.55 -1.34 1.01 -0.67 0.21 0.00 0.00 175.17 174.93 1sqe n ASP 102 N -0.73 1.00 0.00 0.27 -0.08 -1.26 0.07 116.55 115.82 1sqe n ASP 102 Ca 0.09 1.16 0.00 0.00 -1.51 0.00 0.00 54.79 54.53 1sqe n ASP 102 Cb 0.45 -1.22 0.00 0.00 2.34 0.00 0.00 41.12 42.69 1sqe n ASP 102 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1sqe n GLY 103 N 1.60 2.88 3.71 0.27 0.00 -1.26 -5.01 105.19 107.37 1sqe n GLY 103 Ca 0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.71 1sqe n GLY 103 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1sqe n GLN 104 N -2.00 2.49 -2.22 1.61 7.27 0.11 -4.91 117.38 119.73 1sqe n GLN 104 Ca 0.00 0.89 -0.42 0.00 0.07 0.00 0.00 57.00 57.54 1sqe n GLN 104 Cb 0.00 -2.67 -0.03 0.00 2.41 0.00 0.00 30.24 29.95 1sqe n GLN 104 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 1sqe s GLN 105 N 0.44 4.30 0.33 3.69 0.74 -1.26 -4.95 119.66 122.95 1sqe s GLN 105 Ca 0.72 1.98 -0.29 0.00 0.05 0.00 0.00 55.36 57.83 1sqe s GLN 105 Cb -0.57 -3.47 -0.11 0.00 1.10 0.00 0.00 33.01 29.96 1sqe s GLN 105 CO 0.40 -0.52 1.41 0.45 -0.55 0.00 0.00 175.29 176.49 1sqe s SER 106 N 1.63 6.57 0.20 6.67 0.15 -1.26 -4.92 113.70 122.73 1sqe s SER 106 Ca 0.64 2.84 0.26 0.00 0.70 0.00 0.00 55.95 60.39 1sqe s SER 106 Cb -0.33 -2.65 0.81 0.00 -1.71 0.00 0.00 66.02 62.14 1sqe s SER 106 CO 0.28 -0.71 1.77 -0.81 1.20 0.00 0.00 173.24 174.96 1sqe n PRO 107 N 0.97 0.25 -2.82 5.44 -0.04 -1.26 -4.75 135.00 132.79 1sqe n PRO 107 Ca 0.02 0.20 -0.42 0.00 -0.04 0.00 0.00 63.50 63.25 1sqe n PRO 107 Cb 0.40 -1.78 -0.04 0.00 -0.04 0.00 0.00 33.50 32.04 1sqe n PRO 107 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1sqe s ILE 108 N -3.10 4.63 -0.04 0.52 1.01 -1.26 -0.24 121.20 122.72 1sqe s ILE 108 Ca 0.11 1.26 -0.07 0.00 0.00 0.00 0.00 60.65 61.95 1sqe s ILE 108 Cb 0.13 -4.29 -0.29 0.00 0.01 0.00 0.00 42.46 38.02 1sqe s ILE 108 CO 0.60 -0.45 0.67 -0.07 0.00 0.00 0.00 174.94 175.69 1sqe h LEU 109 N 9.90 0.48 -7.59 2.97 3.38 -0.02 -3.48 115.31 120.95 1sqe h LEU 109 Ca -0.23 -0.77 -0.09 0.00 0.09 0.00 0.00 57.88 56.88 1sqe h LEU 109 Cb 1.08 -0.16 -0.16 0.00 0.09 0.00 0.00 40.66 41.51 1sqe h LEU 109 CO 0.96 1.66 -0.26 -0.94 0.09 0.00 0.00 178.44 179.95 1sqe s SER 110 N -7.09 -0.09 -0.21 -0.43 1.04 -1.08 -4.96 113.70 100.87 1sqe s SER 110 Ca -0.14 -0.27 -0.04 0.00 0.48 0.00 0.00 55.95 55.98 1sqe s SER 110 Cb 0.06 0.36 0.09 0.00 0.10 0.00 0.00 66.02 66.63 1sqe s SER 110 CO 0.84 -0.64 0.20 0.21 0.98 0.00 0.00 173.24 174.83 1sqe s ASN 111 N -2.20 1.68 0.27 7.02 3.84 -1.26 -1.44 114.94 122.85 1sqe s ASN 111 Ca -0.03 -0.40 0.09 0.00 0.21 0.00 0.00 52.86 52.73 1sqe s ASN 111 Cb -0.00 0.26 -0.05 0.00 -0.55 0.00 0.00 41.25 40.90 1sqe s ASN 111 CO -0.05 -0.34 -0.13 -0.54 -2.79 0.00 0.00 177.10 173.24 1sqe s LYS 112 N 2.29 1.57 -0.04 0.43 1.02 -0.03 -4.97 119.74 120.00 1sqe s LYS 112 Ca 0.07 -1.74 0.05 0.00 0.02 0.00 0.00 55.97 54.36 1sqe s LYS 112 Cb -0.16 -1.42 -0.01 0.00 -0.52 0.00 0.00 37.83 35.72 1sqe s LYS 112 CO -0.15 0.19 -0.19 0.08 -0.92 0.00 0.00 175.35 174.36 1sqe s VAL 113 N -2.78 1.56 0.06 3.17 1.01 -1.26 -0.43 120.40 121.73 1sqe s VAL 113 Ca 0.28 -0.80 0.05 0.00 0.00 0.00 0.00 61.98 61.51 1sqe s VAL 113 Cb -0.01 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 35.02 1sqe s VAL 113 CO 0.12 0.45 -0.15 -0.36 0.00 0.00 0.00 175.10 175.16 1sqe s PHE 114 N -0.09 1.27 0.04 5.22 0.08 -0.50 -4.98 117.98 119.04 1sqe s PHE 114 Ca -0.02 -0.42 0.08 0.00 0.12 0.00 0.00 56.93 56.69 1sqe s PHE 114 Cb -0.11 -0.73 -0.03 0.00 -0.57 0.00 0.00 43.02 41.58 1sqe s PHE 114 CO 0.02 0.06 -0.22 0.15 -0.10 0.00 0.00 175.22 175.14 1sqe s LYS 115 N -1.55 1.45 0.02 0.44 1.02 -1.26 -0.53 119.74 119.33 1sqe s LYS 115 Ca -0.00 -0.97 0.00 0.00 0.02 0.00 0.00 55.97 55.03 1sqe s LYS 115 Cb -0.09 -1.57 -0.02 0.00 -0.52 0.00 0.00 37.83 35.63 1sqe s LYS 115 CO 0.02 0.40 -0.03 0.71 -0.92 0.00 0.00 175.35 175.53 1sqe s TYR 116 N -0.80 0.28 -0.13 3.18 2.02 0.56 -5.02 117.35 117.44 1sqe s TYR 116 Ca 0.08 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.26 1sqe s TYR 116 Cb -0.09 -0.19 -0.05 0.00 -0.40 0.00 0.00 41.96 41.23 1sqe s TYR 116 CO 0.02 -0.13 0.27 -0.51 -1.57 0.00 0.00 175.55 173.64 1sqe s ASP 117 N -1.11 6.46 -0.52 2.29 1.01 -1.26 -1.27 116.67 122.27 1sqe s ASP 117 Ca -0.11 0.55 -0.20 0.00 0.71 0.00 0.00 52.55 53.49 1sqe s ASP 117 Cb -0.08 -2.17 0.06 0.00 1.01 0.00 0.00 42.92 41.74 1sqe s ASP 117 CO -0.01 0.19 0.70 -0.63 0.21 0.00 0.00 175.17 175.63 1sqe s ILE 118 N 0.01 4.76 -0.21 0.77 1.01 -0.67 -4.89 121.20 121.98 1sqe s ILE 118 Ca 0.17 -0.35 0.21 0.00 0.00 0.00 0.00 60.65 60.68 1sqe s ILE 118 Cb -0.13 -4.36 0.23 0.00 0.01 0.00 0.00 42.46 38.21 1sqe s ILE 118 CO 0.05 -0.89 1.62 1.23 0.00 0.00 0.00 174.94 176.94 1sqe h GLY 119 N 10.01 0.00 -5.15 6.18 0.00 -1.96 -3.38 103.07 108.77 1sqe h GLY 119 Ca -0.27 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 46.98 1sqe h GLY 119 CO 1.00 0.00 -0.07 -0.47 0.00 0.00 0.00 176.54 177.00 1sqe s TYR 120 N -3.23 -0.64 -0.07 5.60 5.04 -1.26 -5.09 117.35 117.70 1sqe s TYR 120 Ca 0.05 1.53 -0.07 0.00 -2.44 0.00 0.00 57.07 56.14 1sqe s TYR 120 Cb 0.07 0.24 0.02 0.00 0.35 0.00 0.00 41.96 42.64 1sqe s TYR 120 CO 0.68 -0.31 0.19 -1.58 -1.34 0.00 0.00 175.55 173.18 1sqe s HIS 121 N 0.44 -0.19 -0.09 4.97 5.65 -1.26 -5.15 115.29 119.66 1sqe s HIS 121 Ca -0.01 0.47 -0.05 0.00 0.25 0.00 0.00 55.06 55.72 1sqe s HIS 121 Cb -0.04 0.06 0.04 0.00 -1.18 0.00 0.00 32.58 31.46 1sqe s HIS 121 CO -0.01 -0.11 0.21 -0.47 -0.65 0.00 0.00 174.74 173.70 1sqe s TYR 122 N 0.02 -0.26 -0.08 3.88 5.04 -1.26 -5.14 117.35 119.55 1sqe s TYR 122 Ca -0.01 0.65 0.00 0.00 -2.44 0.00 0.00 57.07 55.27 1sqe s TYR 122 Cb -0.02 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.33 1sqe s TYR 122 CO 0.00 -0.19 -0.07 -1.14 -1.34 0.00 0.00 175.55 172.81 1sqe s GLN 123 N 1.03 1.31 0.00 4.97 0.74 -1.26 -5.33 119.66 121.12 1sqe s GLN 123 Ca -0.08 -0.21 0.06 0.00 0.05 0.00 0.00 55.36 55.18 1sqe s GLN 123 Cb -0.09 -1.33 0.34 0.00 1.10 0.00 0.00 33.01 33.03 1sqe s GLN 123 CO -0.06 -0.18 0.81 1.17 -0.55 0.00 0.00 175.29 176.48