#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j n ALA 2 N 0.00 0.46 -2.12 4.61 0.00 -1.26 -5.05 120.51 117.15 2k7j n ALA 2 Ca 0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 53.44 51.22 2k7j n ALA 2 Cb 0.00 1.16 -0.00 0.00 0.00 0.00 0.00 19.45 20.61 2k7j n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2k7j n GLU 3 N -0.85 4.41 -2.34 0.00 4.71 -1.26 -4.72 120.64 120.59 2k7j n GLU 3 Ca -0.08 -3.55 -0.05 0.00 -0.01 0.00 0.00 57.16 53.48 2k7j n GLU 3 Cb 0.53 -2.69 0.01 0.00 -1.01 0.00 0.00 31.44 28.28 2k7j n GLU 3 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2k7j n GLY 4 N 1.89 -1.06 2.58 0.62 0.00 -1.26 -4.72 105.19 103.24 2k7j n GLY 4 Ca 0.56 0.70 -0.40 0.00 0.00 0.00 0.00 46.02 46.87 2k7j n GLY 4 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2k7j n ASN 5 N -0.47 7.63 -4.55 1.61 4.13 -1.26 -3.72 115.26 118.63 2k7j n ASN 5 Ca 0.07 -3.46 -0.43 0.00 1.68 0.00 0.00 54.58 52.44 2k7j n ASN 5 Cb 0.30 -1.25 -0.01 0.00 -1.54 0.00 0.00 39.78 37.28 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 2k7j s THR 6 N -3.00 4.25 -0.14 3.41 2.01 -1.26 -4.91 115.64 116.01 2k7j s THR 6 Ca 0.46 -1.72 -0.34 0.00 0.31 0.00 0.00 61.69 60.40 2k7j s THR 6 Cb 0.20 -5.09 -0.11 0.00 0.01 0.00 0.00 72.50 67.51 2k7j s THR 6 CO -0.13 -1.91 1.94 0.18 -0.69 0.00 0.00 174.62 174.01 2k7j n LEU 7 N 7.97 3.23 -4.12 4.42 4.77 -1.26 -1.72 117.00 130.30 2k7j n LEU 7 Ca 0.41 0.86 -0.09 0.00 -0.03 0.00 0.00 56.01 57.16 2k7j n LEU 7 Cb 0.47 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.10 2k7j n LEU 7 CO 0.70 -0.20 -0.29 0.27 -1.33 0.00 0.00 177.39 176.55 2k7j s ILE 8 N 4.75 0.13 -0.37 -0.08 -4.36 -0.02 -2.17 121.20 119.08 2k7j s ILE 8 Ca 0.96 -1.84 0.02 0.00 -0.26 0.00 0.00 60.65 59.53 2k7j s ILE 8 Cb -0.71 -1.90 0.11 0.00 1.25 0.00 0.00 42.46 41.21 2k7j s ILE 8 CO 0.51 -0.57 0.14 -0.94 0.24 0.00 0.00 174.94 174.31 2k7j s SER 9 N -3.01 4.17 -0.11 4.36 1.04 -0.76 -2.15 113.70 117.25 2k7j s SER 9 Ca 0.19 -2.17 -0.13 0.00 0.48 0.00 0.00 55.95 54.33 2k7j s SER 9 Cb 0.07 -1.20 -0.05 0.00 0.10 0.00 0.00 66.02 64.95 2k7j s SER 9 CO -0.01 -0.35 0.30 0.54 0.98 0.00 0.00 173.24 174.70 2k7j s VAL 10 N 0.91 5.27 -0.07 5.02 0.11 -1.25 -1.27 120.40 129.12 2k7j s VAL 10 Ca 0.13 0.57 0.01 0.00 -2.93 0.00 0.00 61.98 59.76 2k7j s VAL 10 Cb -0.20 -3.61 0.02 0.00 -1.53 0.00 0.00 36.38 31.05 2k7j s VAL 10 CO -0.12 0.48 -0.08 -0.62 -3.33 0.00 0.00 175.10 171.43 2k7j s ASP 11 N -0.19 1.51 0.28 3.54 2.15 -1.26 -0.85 116.67 121.85 2k7j s ASP 11 Ca 0.18 -0.22 -0.02 0.00 0.43 0.00 0.00 52.55 52.92 2k7j s ASP 11 Cb -0.14 -0.66 -0.02 0.00 -0.30 0.00 0.00 42.92 41.81 2k7j s ASP 11 CO 0.06 -0.04 0.34 -0.72 -0.17 0.00 0.00 175.17 174.65 2k7j s TYR 12 N 1.01 1.10 -0.50 -5.34 -0.85 -1.17 -4.21 117.35 107.39 2k7j s TYR 12 Ca -0.09 -1.29 0.03 0.00 -0.52 0.00 0.00 57.07 55.21 2k7j s TYR 12 Cb -0.14 -0.29 0.14 0.00 0.38 0.00 0.00 41.96 42.05 2k7j s TYR 12 CO -0.00 -0.93 0.28 -1.83 -1.52 0.00 0.00 175.55 171.56 2k7j s GLU 13 N -3.60 1.66 0.43 -3.49 1.03 -1.26 -2.49 118.70 110.98 2k7j s GLU 13 Ca 0.33 -2.40 -0.24 0.00 0.03 0.00 0.00 54.97 52.70 2k7j s GLU 13 Cb 0.02 -2.78 -0.10 0.00 -0.80 0.00 0.00 34.13 30.47 2k7j s GLU 13 CO 0.17 -1.17 0.94 -0.89 -1.33 0.00 0.00 175.26 172.98 2k7j n ILE 14 N 3.15 2.44 -2.43 1.83 2.08 -1.14 -4.65 119.36 120.64 2k7j n ILE 14 Ca 0.10 -0.50 -0.02 0.00 0.56 0.00 0.00 62.75 62.89 2k7j n ILE 14 Cb 0.34 -1.06 0.01 0.00 -0.75 0.00 0.00 39.64 38.18 2k7j n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2k7j n PHE 15 N -0.63 -3.25 0.00 1.39 3.72 -1.14 -2.16 117.46 115.38 2k7j n PHE 15 Ca 0.10 -0.16 0.00 0.00 -0.05 0.00 0.00 57.45 57.34 2k7j n PHE 15 Cb 0.40 -0.06 0.00 0.00 -0.94 0.00 0.00 39.48 38.88 2k7j n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k7j n GLY 16 N 4.35 1.24 2.59 1.37 0.00 -1.26 -4.57 105.19 108.90 2k7j n GLY 16 Ca 0.01 -2.14 -0.39 0.00 0.00 0.00 0.00 46.02 43.51 2k7j n GLY 16 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2k7j n LYS 17 N 0.11 2.97 -0.80 1.61 2.85 -0.90 -4.50 118.16 119.50 2k7j n LYS 17 Ca 0.00 -2.24 0.02 0.00 -1.05 0.00 0.00 58.31 55.04 2k7j n LYS 17 Cb 0.00 -2.96 0.32 0.00 -0.65 0.00 0.00 35.03 31.73 2k7j n LYS 17 CO 0.00 0.00 0.00 1.33 -0.05 0.00 0.00 177.40 178.68 2k7j n VAL 18 N 4.48 2.68 0.02 0.58 0.24 -1.26 -4.08 118.33 120.98 2k7j n VAL 18 Ca 0.62 -1.73 -0.10 0.00 -2.04 0.00 0.00 64.34 61.09 2k7j n VAL 18 Cb 0.30 -0.30 -0.08 0.00 -1.47 0.00 0.00 33.84 32.29 2k7j n VAL 18 CO 0.00 0.00 0.00 1.56 -2.14 0.00 0.00 176.83 176.25 2k7j h GLN 19 N 2.68 -0.14 -0.77 7.34 4.20 -1.86 -3.30 115.11 123.26 2k7j h GLN 19 Ca 0.11 0.01 -0.04 0.00 0.06 0.00 0.00 58.65 58.78 2k7j h GLN 19 Cb 1.92 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 29.71 2k7j h GLN 19 CO 0.49 0.34 0.06 0.41 -0.67 0.00 0.00 178.83 179.46 2k7j n GLY 20 N 0.95 2.59 2.96 3.46 0.00 -1.26 -4.68 105.19 109.20 2k7j n GLY 20 Ca -0.07 -0.59 -0.30 0.00 0.00 0.00 0.00 46.02 45.06 2k7j n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2k7j s VAL 21 N -2.10 2.56 -0.48 1.61 1.01 -1.24 -4.96 120.40 116.79 2k7j s VAL 21 Ca 0.34 -3.24 -0.02 0.00 0.00 0.00 0.00 61.98 59.07 2k7j s VAL 21 Cb 0.27 -2.79 0.25 0.00 0.00 0.00 0.00 36.38 34.11 2k7j s VAL 21 CO 0.10 -0.78 2.19 0.49 0.00 0.00 0.00 175.10 177.09 2k7j n PHE 22 N 3.21 2.11 -3.01 5.22 3.72 -1.26 -4.81 117.46 122.63 2k7j n PHE 22 Ca 0.05 -2.27 -0.44 0.00 -0.05 0.00 0.00 57.45 54.74 2k7j n PHE 22 Cb 0.33 -1.20 0.00 0.00 -0.94 0.00 0.00 39.48 37.67 2k7j n PHE 22 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 2k7j n PHE 23 N 0.06 4.74 -1.12 1.38 -0.00 -1.26 -4.77 117.46 116.50 2k7j n PHE 23 Ca 0.45 -3.44 -0.12 0.00 -0.00 0.00 0.00 57.45 54.34 2k7j n PHE 23 Cb 0.56 -1.97 0.26 0.00 -0.00 0.00 0.00 39.48 38.33 2k7j n PHE 23 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.76 177.30 2k7j n ARG 24 N 4.34 3.19 -0.06 -4.13 1.74 -1.26 -4.22 116.66 116.26 2k7j n ARG 24 Ca 0.33 -3.07 -0.01 0.00 -0.77 0.00 0.00 57.85 54.32 2k7j n ARG 24 Cb 0.40 -2.19 -0.16 0.00 -1.02 0.00 0.00 32.46 29.49 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k7j n LYS 25 N -0.52 0.68 -0.69 5.56 4.81 -1.26 -4.12 118.16 122.63 2k7j n LYS 25 Ca 0.47 -0.08 0.07 0.00 -0.87 0.00 0.00 58.31 57.90 2k7j n LYS 25 Cb 1.48 -1.53 0.34 0.00 0.02 0.00 0.00 35.03 35.34 2k7j n LYS 25 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2k7j n HIS 26 N -2.55 1.61 -0.01 5.64 -0.00 -1.26 -4.03 115.22 114.62 2k7j n HIS 26 Ca -0.21 -0.59 -0.01 0.00 0.46 0.00 0.00 57.72 57.38 2k7j n HIS 26 Cb 0.91 -0.36 -0.01 0.00 -0.12 0.00 0.00 29.99 30.41 2k7j n HIS 26 CO 0.00 0.00 0.00 -2.37 0.46 0.00 0.00 176.34 174.43 2k7j n THR 27 N 0.75 0.11 0.12 3.57 5.66 -1.26 -4.49 114.28 118.74 2k7j n THR 27 Ca 0.24 -0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 2k7j n THR 27 Cb 0.96 -0.95 -0.01 0.00 -1.55 0.00 0.00 70.33 68.78 2k7j n THR 27 CO 0.00 0.00 0.00 0.06 -3.05 0.00 0.00 175.07 172.08 2k7j h GLN 28 N 0.00 0.00 -0.04 1.09 3.07 -1.72 -3.31 115.11 114.21 2k7j h GLN 28 Ca -0.04 0.00 -0.19 0.00 0.09 0.00 0.00 58.65 58.50 2k7j h GLN 28 Cb 1.10 0.00 0.01 0.00 0.08 0.00 0.00 27.48 28.67 2k7j h GLN 28 CO 0.00 0.59 -0.72 0.00 0.09 0.00 0.00 178.83 178.79 2k7j h ALA 29 N 1.40 0.14 -0.91 0.06 0.00 -1.83 -3.22 119.26 114.88 2k7j h ALA 29 Ca -0.01 -0.59 0.21 0.00 0.00 0.00 0.00 54.91 54.51 2k7j h ALA 29 Cb 1.47 0.03 -0.07 0.00 0.00 0.00 0.00 17.79 19.22 2k7j h ALA 29 CO 0.08 0.48 0.60 0.93 0.00 0.00 0.00 179.25 181.34 2k7j h GLU 30 N 0.15 0.41 -0.62 0.00 3.07 -1.79 0.48 114.58 116.27 2k7j h GLU 30 Ca -0.08 -0.02 -0.06 0.00 -0.50 0.00 0.00 59.36 58.70 2k7j h GLU 30 Cb 1.40 -0.09 -0.03 0.00 -0.84 0.00 0.00 28.75 29.19 2k7j h GLU 30 CO 0.14 0.27 0.16 0.78 -1.40 0.00 0.00 179.01 178.96 2k7j h GLY 31 N 0.42 1.04 1.93 -3.84 0.00 -1.66 -2.47 103.07 98.49 2k7j h GLY 31 Ca 0.48 -0.62 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 2k7j h GLY 31 CO -0.19 0.58 -0.10 0.50 0.00 0.00 0.00 176.54 177.33 2k7j h LYS 32 N 0.93 0.09 -0.65 4.80 1.79 -0.99 0.28 116.57 122.82 2k7j h LYS 32 Ca 0.20 -0.01 0.12 0.00 -2.18 0.00 0.00 60.65 58.77 2k7j h LYS 32 Cb 0.32 -0.02 -0.08 0.00 -1.58 0.00 0.00 32.23 30.87 2k7j h LYS 32 CO -0.00 0.19 0.21 -0.22 -1.08 0.00 0.00 179.45 178.56 2k7j h LYS 33 N 0.09 0.36 0.00 3.15 3.11 -1.30 -2.50 116.57 119.48 2k7j h LYS 33 Ca 0.02 -0.02 -0.19 0.00 -2.81 0.00 0.00 60.65 57.64 2k7j h LYS 33 Cb 0.23 -0.08 -0.04 0.00 -1.00 0.00 0.00 32.23 31.34 2k7j h LYS 33 CO 0.01 0.24 -1.77 1.28 -2.81 0.00 0.00 179.45 176.40 2k7j n LEU 34 N -5.04 0.50 0.00 5.20 4.77 -1.01 -5.01 117.00 116.40 2k7j n LEU 34 Ca 0.10 0.22 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2k7j n LEU 34 Cb 0.33 0.17 0.00 0.00 -2.33 0.00 0.00 43.42 41.60 2k7j n LEU 34 CO 0.19 0.22 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 2k7j n GLY 35 N 1.47 0.73 3.71 -0.72 0.00 0.78 -5.12 105.19 106.04 2k7j n GLY 35 Ca -0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.61 2k7j n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7j s LEU 36 N 0.00 2.94 0.00 0.99 1.43 0.01 -4.97 118.68 119.08 2k7j s LEU 36 Ca 0.00 -1.24 0.02 0.00 -1.03 0.00 0.00 54.13 51.89 2k7j s LEU 36 Cb 0.00 -1.19 -0.01 0.00 0.03 0.00 0.00 46.19 45.03 2k7j s LEU 36 CO 0.00 -0.57 0.08 1.33 0.23 0.00 0.00 176.35 177.41 2k7j n VAL 37 N -1.18 0.00 -0.14 -1.59 0.24 -1.26 -4.11 118.33 110.29 2k7j n VAL 37 Ca -0.04 -1.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.66 2k7j n VAL 37 Cb 0.66 0.52 0.00 0.00 -1.47 0.00 0.00 33.84 33.55 2k7j n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7j n GLY 38 N 0.37 0.28 3.56 7.63 0.00 -1.26 -1.74 105.19 114.03 2k7j n GLY 38 Ca -0.06 -1.31 -0.15 0.00 0.00 0.00 0.00 46.02 44.50 2k7j n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7j s TRP 39 N -3.91 -0.60 -0.18 1.61 -2.14 -1.26 -2.73 118.94 109.74 2k7j s TRP 39 Ca 0.00 1.13 -0.00 0.00 2.66 0.00 0.00 56.10 59.89 2k7j s TRP 39 Cb 0.00 0.40 0.00 0.00 -3.10 0.00 0.00 33.47 30.77 2k7j s TRP 39 CO 0.00 -0.49 -0.15 0.08 -2.66 0.00 0.00 176.95 173.74 2k7j s VAL 40 N -0.84 2.58 0.02 -0.66 1.01 -1.24 -3.34 120.40 117.93 2k7j s VAL 40 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 61.98 61.16 2k7j s VAL 40 Cb -0.01 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.25 2k7j s VAL 40 CO 0.06 0.50 -0.06 -1.58 0.00 0.00 0.00 175.10 174.02 2k7j s GLN 41 N 1.13 0.45 0.02 2.72 -0.44 -0.74 -1.97 119.66 120.83 2k7j s GLN 41 Ca 0.01 -0.46 0.01 0.00 -2.50 0.00 0.00 55.36 52.41 2k7j s GLN 41 Cb -0.14 -0.32 -0.04 0.00 -1.64 0.00 0.00 33.01 30.87 2k7j s GLN 41 CO -0.05 0.07 0.08 1.21 0.50 0.00 0.00 175.29 177.10 2k7j s ASN 42 N -0.86 5.62 0.53 6.67 3.84 -1.26 -0.24 114.94 129.25 2k7j s ASN 42 Ca -0.04 0.10 0.06 0.00 0.21 0.00 0.00 52.86 53.18 2k7j s ASN 42 Cb -0.06 -1.58 0.06 0.00 -0.55 0.00 0.00 41.25 39.11 2k7j s ASN 42 CO 0.00 0.24 0.48 0.35 -2.79 0.00 0.00 177.10 175.39 2k7j n THR 43 N 0.99 0.00 -0.03 -5.21 -2.24 -1.12 -4.89 114.28 101.78 2k7j n THR 43 Ca -0.12 -2.01 -0.06 0.00 -2.27 0.00 0.00 64.05 59.59 2k7j n THR 43 Cb 0.52 -0.17 -0.13 0.00 -2.10 0.00 0.00 70.33 68.45 2k7j n THR 43 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2k7j n ASP 44 N -1.97 0.57 0.07 3.42 8.00 -1.26 -4.33 116.55 121.05 2k7j n ASP 44 Ca 0.02 0.27 -0.13 0.00 0.71 0.00 0.00 54.79 55.66 2k7j n ASP 44 Cb 0.59 0.40 -0.07 0.00 -0.02 0.00 0.00 41.12 42.02 2k7j n ASP 44 CO 0.00 0.00 0.00 -0.09 -0.39 0.00 0.00 177.20 176.72 2k7j h ARG 45 N 0.00 -0.08 0.00 -1.24 2.43 -2.02 -3.47 114.38 110.00 2k7j h ARG 45 Ca -0.32 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 58.86 2k7j h ARG 45 Cb 1.93 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 31.50 2k7j h ARG 45 CO 0.05 -0.04 0.00 0.41 -1.51 0.00 0.00 179.97 178.89 2k7j n GLY 46 N -1.07 0.18 3.30 2.80 0.00 -1.26 -5.05 105.19 104.08 2k7j n GLY 46 Ca -0.08 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 2k7j n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7j s THR 47 N -0.17 0.01 -0.60 2.61 -4.23 -1.26 -4.38 115.64 107.61 2k7j s THR 47 Ca 0.00 -0.10 -0.26 0.00 -1.18 0.00 0.00 61.69 60.15 2k7j s THR 47 Cb 0.00 -0.60 0.04 0.00 1.34 0.00 0.00 72.50 73.28 2k7j s THR 47 CO 0.00 -0.05 1.11 -0.69 -0.54 0.00 0.00 174.62 174.44 2k7j s VAL 48 N -0.16 4.11 -0.57 2.29 1.01 -0.92 -2.80 120.40 123.36 2k7j s VAL 48 Ca -0.03 0.52 -0.26 0.00 0.00 0.00 0.00 61.98 62.21 2k7j s VAL 48 Cb -0.03 -4.69 0.04 0.00 0.00 0.00 0.00 36.38 31.69 2k7j s VAL 48 CO 0.02 -1.36 1.04 -1.10 0.00 0.00 0.00 175.10 173.70 2k7j s GLN 49 N 4.69 3.38 -0.10 2.72 -0.21 0.67 -2.86 119.66 127.94 2k7j s GLN 49 Ca 0.36 -0.12 -0.27 0.00 0.02 0.00 0.00 55.36 55.36 2k7j s GLN 49 Cb -0.10 -4.05 0.06 0.00 1.00 0.00 0.00 33.01 29.92 2k7j s GLN 49 CO 0.20 -1.59 0.63 0.20 -2.12 0.00 0.00 175.29 172.61 2k7j s GLY 50 N 2.95 -0.50 0.51 3.09 0.00 -1.04 -1.79 107.32 110.55 2k7j s GLY 50 Ca 0.34 1.34 0.07 0.00 0.00 0.00 0.00 44.72 46.47 2k7j s GLY 50 CO 0.21 1.03 0.43 -1.59 0.00 0.00 0.00 173.10 173.18 2k7j s LYS 51 N -0.79 2.32 -0.33 2.90 0.00 -1.21 -3.04 119.74 119.59 2k7j s LYS 51 Ca -0.08 -1.86 0.01 0.00 0.00 0.00 0.00 55.97 54.03 2k7j s LYS 51 Cb -0.02 -2.22 0.14 0.00 0.00 0.00 0.00 37.83 35.74 2k7j s LYS 51 CO 0.07 -0.53 0.32 -0.51 0.00 0.00 0.00 175.35 174.70 2k7j s LEU 52 N -4.27 -0.05 1.20 2.77 1.43 -0.03 -4.05 118.68 115.67 2k7j s LEU 52 Ca 0.41 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 52.11 2k7j s LEU 52 Cb -0.02 0.44 0.28 0.00 0.03 0.00 0.00 46.19 46.91 2k7j s LEU 52 CO 0.25 -0.33 1.06 -1.10 0.23 0.00 0.00 176.35 176.45 2k7j s GLN 53 N 1.87 -1.16 0.00 1.70 -1.52 -0.71 -3.80 119.66 116.03 2k7j s GLN 53 Ca 0.13 0.25 0.00 0.00 -1.95 0.00 0.00 55.36 53.79 2k7j s GLN 53 Cb -0.15 -1.58 0.00 0.00 -0.22 0.00 0.00 33.01 31.06 2k7j s GLN 53 CO -0.18 -3.74 0.00 0.41 -0.25 0.00 0.00 175.29 171.53 2k7j n GLY 54 N -0.24 1.80 3.77 3.09 0.00 -0.91 -4.23 105.19 108.47 2k7j n GLY 54 Ca 0.09 -2.14 -0.32 0.00 0.00 0.00 0.00 46.02 43.65 2k7j n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7j s PRO 55 N -1.75 2.50 0.40 1.61 0.04 -1.26 -0.84 135.00 135.70 2k7j s PRO 55 Ca 0.00 1.27 0.10 0.00 0.04 0.00 0.00 61.00 62.41 2k7j s PRO 55 Cb 0.00 -1.92 0.83 0.00 0.04 0.00 0.00 34.50 33.45 2k7j s PRO 55 CO 0.00 -1.47 1.95 0.82 0.04 0.00 0.00 177.00 178.34 2k7j h ILE 56 N -0.60 1.16 0.00 0.56 2.04 -1.57 0.16 117.51 119.27 2k7j h ILE 56 Ca -0.45 -0.67 -0.01 0.00 1.00 0.00 0.00 64.86 64.73 2k7j h ILE 56 Cb 1.24 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 38.45 2k7j h ILE 56 CO 0.53 0.21 -0.05 0.77 0.00 0.00 0.00 178.15 179.60 2k7j h SER 57 N 0.24 0.00 0.00 1.72 4.64 -1.85 -1.37 113.55 116.93 2k7j h SER 57 Ca 0.05 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.94 2k7j h SER 57 Cb 0.30 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.33 2k7j h SER 57 CO 0.02 0.05 -2.44 0.29 -0.87 0.00 0.00 176.83 173.88 2k7j n LYS 58 N -4.01 0.61 -0.21 4.77 4.01 -0.73 -4.41 118.16 118.20 2k7j n LYS 58 Ca -0.03 0.24 0.17 0.00 -0.51 0.00 0.00 58.31 58.18 2k7j n LYS 58 Cb 0.14 -1.52 0.49 0.00 -0.51 0.00 0.00 35.03 33.63 2k7j n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7j h VAL 59 N -0.64 0.75 -0.13 -0.18 2.07 -0.65 0.24 116.25 117.71 2k7j h VAL 59 Ca -0.64 -0.15 0.04 0.00 0.82 0.00 0.00 66.70 66.77 2k7j h VAL 59 Cb 1.71 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.74 2k7j h VAL 59 CO -0.29 0.08 0.12 0.03 0.02 0.00 0.00 177.57 177.53 2k7j h ARG 60 N 0.44 0.00 0.03 1.57 2.47 -1.46 0.16 114.38 117.59 2k7j h ARG 60 Ca 0.42 0.00 -0.31 0.00 -1.26 0.00 0.00 59.98 58.83 2k7j h ARG 60 Cb 0.98 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 29.26 2k7j h ARG 60 CO -0.15 0.00 -1.81 0.39 0.56 0.00 0.00 179.97 178.96 2k7j n GLU 61 N -3.99 0.66 0.02 0.04 -0.58 0.80 -4.15 120.64 113.45 2k7j n GLU 61 Ca 0.00 0.28 -0.10 0.00 -0.42 0.00 0.00 57.16 56.92 2k7j n GLU 61 Cb 0.24 -1.76 0.05 0.00 -0.57 0.00 0.00 31.44 29.39 2k7j n GLU 61 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2k7j h MET 62 N 0.02 0.50 -0.02 3.49 4.05 -0.67 -2.96 114.93 119.33 2k7j h MET 62 Ca -0.33 -0.34 0.01 0.00 -0.28 0.00 0.00 59.70 58.75 2k7j h MET 62 Cb 2.03 0.05 -0.00 0.00 -0.80 0.00 0.00 31.60 32.88 2k7j h MET 62 CO 0.08 0.96 0.02 -0.56 0.23 0.00 0.00 176.91 177.64 2k7j h GLN 63 N 0.37 0.00 0.00 0.39 3.07 -0.90 -0.75 115.11 117.29 2k7j h GLN 63 Ca -0.01 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.53 2k7j h GLN 63 Cb 1.17 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.70 2k7j h GLN 63 CO 0.11 0.00 -1.06 0.87 0.09 0.00 0.00 178.83 178.84 2k7j h LYS 64 N 0.00 0.00 0.00 0.06 6.56 -1.68 -2.86 116.57 118.65 2k7j h LYS 64 Ca 0.01 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.56 2k7j h LYS 64 Cb 0.06 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.71 2k7j h LYS 64 CO -0.00 0.80 -0.19 -1.49 -2.06 0.00 0.00 179.45 176.51 2k7j h TRP 65 N 0.00 0.00 -0.28 -1.35 4.06 -1.06 0.27 115.95 117.58 2k7j h TRP 65 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 2k7j h TRP 65 Cb 1.74 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.90 2k7j h TRP 65 CO 0.00 0.19 0.00 1.28 -3.56 0.00 0.00 178.44 176.35 2k7j n LEU 66 N -3.53 3.25 0.00 -4.49 4.77 -1.09 -3.44 117.00 112.47 2k7j n LEU 66 Ca -0.01 -2.45 0.00 0.00 -0.03 0.00 0.00 56.01 53.52 2k7j n LEU 66 Cb 0.34 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.08 2k7j n LEU 66 CO 0.32 0.69 -0.45 1.21 -1.33 0.00 0.00 177.39 177.84 2k7j n GLU 67 N -0.02 0.45 -0.01 3.23 2.13 -0.97 -4.86 120.64 120.59 2k7j n GLU 67 Ca 0.15 0.00 -0.01 0.00 0.66 0.00 0.00 57.16 57.97 2k7j n GLU 67 Cb 0.61 -0.95 -0.03 0.00 0.27 0.00 0.00 31.44 31.34 2k7j n GLU 67 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 2k7j n THR 68 N -2.33 0.17 -3.47 6.31 -2.24 0.05 -4.76 114.28 108.02 2k7j n THR 68 Ca 0.00 -0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.46 2k7j n THR 68 Cb 0.45 -0.44 0.02 0.00 -2.10 0.00 0.00 70.33 68.26 2k7j n THR 68 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 2k7j n ARG 69 N -1.97 0.79 -1.40 -0.78 5.12 -1.07 -5.02 116.66 112.33 2k7j n ARG 69 Ca -0.04 -2.53 0.00 0.00 -1.93 0.00 0.00 57.85 53.34 2k7j n ARG 69 Cb 0.45 0.08 0.00 0.00 -1.16 0.00 0.00 32.46 31.83 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7j n GLY 70 N -0.23 -0.14 3.82 -0.13 0.00 -1.22 -4.38 105.19 102.92 2k7j n GLY 70 Ca 0.05 -1.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.05 2k7j n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7j s SER 71 N -1.70 5.18 0.20 1.61 0.01 -1.26 -4.98 113.70 112.76 2k7j s SER 71 Ca 0.00 1.47 -0.04 0.00 1.31 0.00 0.00 55.95 58.69 2k7j s SER 71 Cb 0.00 -2.31 0.15 0.00 0.21 0.00 0.00 66.02 64.07 2k7j s SER 71 CO 0.00 -1.55 1.56 1.55 0.41 0.00 0.00 173.24 175.21 2k7j h PRO 72 N -0.79 0.64 0.98 12.44 0.13 -2.02 -3.30 132.00 140.07 2k7j h PRO 72 Ca -0.45 -0.34 -0.05 0.00 -0.87 0.00 0.00 66.00 64.30 2k7j h PRO 72 Cb 1.23 0.01 0.01 0.00 0.13 0.00 0.00 31.00 32.38 2k7j h PRO 72 CO 0.58 0.94 -0.47 1.49 -0.23 0.00 0.00 178.00 180.31 2k7j h GLU 73 N 0.52 -1.26 -7.14 0.86 4.22 -1.99 -3.43 114.58 106.36 2k7j h GLU 73 Ca 0.04 0.09 -0.47 0.00 0.08 0.00 0.00 59.36 59.09 2k7j h GLU 73 Cb 0.94 0.29 0.03 0.00 0.50 0.00 0.00 28.75 30.51 2k7j h GLU 73 CO 0.09 -0.84 0.38 -1.54 -2.18 0.00 0.00 179.01 174.91 2k7j s SER 74 N -4.03 6.29 -0.08 1.04 1.04 -1.24 -5.02 113.70 111.69 2k7j s SER 74 Ca -0.19 1.79 0.01 0.00 0.48 0.00 0.00 55.95 58.03 2k7j s SER 74 Cb 0.02 -2.54 0.02 0.00 0.10 0.00 0.00 66.02 63.62 2k7j s SER 74 CO 0.57 -0.82 -0.08 -2.28 0.98 0.00 0.00 173.24 171.62 2k7j s HIS 75 N -2.29 1.26 -0.55 5.02 2.46 -1.26 -4.58 115.29 115.35 2k7j s HIS 75 Ca 0.64 -0.53 -0.15 0.00 0.47 0.00 0.00 55.06 55.49 2k7j s HIS 75 Cb -0.14 -1.04 0.13 0.00 -0.13 0.00 0.00 32.58 31.40 2k7j s HIS 75 CO 0.27 -0.37 0.51 0.42 -2.47 0.00 0.00 174.74 173.10 2k7j s ILE 76 N 1.30 5.16 -0.10 0.89 1.01 -1.26 -2.11 121.20 126.09 2k7j s ILE 76 Ca -0.03 -1.58 0.14 0.00 0.00 0.00 0.00 60.65 59.17 2k7j s ILE 76 Cb -0.14 -4.31 -0.04 0.00 0.01 0.00 0.00 42.46 37.99 2k7j s ILE 76 CO -0.03 -0.87 1.24 -0.78 0.00 0.00 0.00 174.94 174.50 2k7j h ASP 77 N 8.79 0.00 -4.16 3.58 3.58 -1.91 -3.47 116.42 122.82 2k7j h ASP 77 Ca -0.27 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.16 2k7j h ASP 77 Cb 1.09 0.00 -0.21 0.00 1.72 0.00 0.00 39.33 41.93 2k7j h ASP 77 CO 1.01 0.62 0.22 -1.59 -2.88 0.00 0.00 179.24 176.62 2k7j s LYS 78 N -2.90 0.83 0.32 0.28 -2.85 -1.26 -5.07 119.74 109.10 2k7j s LYS 78 Ca 0.02 0.68 0.05 0.00 -1.00 0.00 0.00 55.97 55.72 2k7j s LYS 78 Cb 0.08 0.40 -0.03 0.00 -2.06 0.00 0.00 37.83 36.23 2k7j s LYS 78 CO 0.78 -0.16 0.30 0.00 0.10 0.00 0.00 175.35 176.37 2k7j s ALA 79 N -0.17 1.61 -0.25 0.59 0.00 -1.26 -2.90 121.76 119.38 2k7j s ALA 79 Ca -0.03 -1.95 -0.29 0.00 0.00 0.00 0.00 51.96 49.69 2k7j s ALA 79 Cb -0.03 1.42 0.17 0.00 0.00 0.00 0.00 23.12 24.67 2k7j s ALA 79 CO 0.02 -0.68 1.24 1.21 0.00 0.00 0.00 175.76 177.55 2k7j s ASN 80 N -3.33 -0.15 0.22 0.00 2.47 -1.26 -5.00 114.94 107.89 2k7j s ASN 80 Ca 0.39 0.17 0.06 0.00 0.42 0.00 0.00 52.86 53.90 2k7j s ASN 80 Cb 0.02 0.13 -0.04 0.00 -1.45 0.00 0.00 41.25 39.92 2k7j s ASN 80 CO 0.25 -0.13 0.21 0.72 -3.72 0.00 0.00 177.10 174.43 2k7j s PHE 81 N -0.99 3.20 0.40 0.43 -0.12 -1.26 -4.56 117.98 115.08 2k7j s PHE 81 Ca 0.05 -0.05 0.04 0.00 -0.05 0.00 0.00 56.93 56.92 2k7j s PHE 81 Cb -0.01 -1.48 0.04 0.00 -0.63 0.00 0.00 43.02 40.95 2k7j s PHE 81 CO -0.05 0.51 0.36 1.63 -0.05 0.00 0.00 175.22 177.62 2k7j n LYS 82 N -0.94 0.86 -2.10 1.99 5.02 -1.26 -5.02 118.16 116.71 2k7j n LYS 82 Ca -0.08 -2.39 -0.34 0.00 -2.02 0.00 0.00 58.31 53.48 2k7j n LYS 82 Cb 0.57 0.15 -0.04 0.00 -0.02 0.00 0.00 35.03 35.69 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2k7j s ASN 83 N -3.37 5.33 0.63 4.39 3.04 -1.26 -4.82 114.94 118.89 2k7j s ASN 83 Ca 0.28 -0.22 -0.17 0.00 0.04 0.00 0.00 52.86 52.78 2k7j s ASN 83 Cb -0.02 -2.55 -0.05 0.00 -1.54 0.00 0.00 41.25 37.09 2k7j s ASN 83 CO 0.18 -2.45 0.73 -1.84 -3.04 0.00 0.00 177.10 170.67 2k7j n GLU 84 N 9.05 0.59 -3.59 0.43 0.00 -1.26 -4.84 120.64 121.01 2k7j n GLU 84 Ca 0.28 0.24 -0.40 0.00 0.00 0.00 0.00 57.16 57.28 2k7j n GLU 84 Cb 0.50 -1.95 -0.08 0.00 0.00 0.00 0.00 31.44 29.90 2k7j n GLU 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.13 177.34 2k7j s LYS 85 N -2.62 2.56 0.16 3.44 2.47 -0.40 -4.89 119.74 120.46 2k7j s LYS 85 Ca 0.71 -2.02 -0.32 0.00 -1.56 0.00 0.00 55.97 52.78 2k7j s LYS 85 Cb -0.40 -3.90 -0.12 0.00 -1.46 0.00 0.00 37.83 31.95 2k7j s LYS 85 CO 0.52 -1.19 1.75 0.28 0.16 0.00 0.00 175.35 176.87 2k7j n VAL 86 N 4.44 0.15 -4.36 4.02 0.31 -1.26 -1.82 118.33 119.81 2k7j n VAL 86 Ca -0.01 -0.03 -0.19 0.00 -0.01 0.00 0.00 64.34 64.10 2k7j n VAL 86 Cb 0.41 -1.95 -0.10 0.00 -0.91 0.00 0.00 33.84 31.29 2k7j n VAL 86 CO 0.00 0.00 0.00 0.27 -1.32 0.00 0.00 176.83 175.78 2k7j s ILE 87 N 1.77 0.51 -0.21 2.52 -4.36 -0.92 -4.93 121.20 115.59 2k7j s ILE 87 Ca 0.79 -2.00 0.13 0.00 -0.26 0.00 0.00 60.65 59.31 2k7j s ILE 87 Cb -0.53 -2.56 -0.22 0.00 1.25 0.00 0.00 42.46 40.39 2k7j s ILE 87 CO 0.36 0.00 -0.01 0.18 0.24 0.00 0.00 174.94 175.71 2k7j n LEU 88 N -0.59 0.79 -4.13 0.37 7.99 -1.26 -4.51 117.00 115.66 2k7j n LEU 88 Ca -0.00 -0.04 -0.24 0.00 -0.01 0.00 0.00 56.01 55.72 2k7j n LEU 88 Cb 0.65 0.12 -0.15 0.00 -0.11 0.00 0.00 43.42 43.93 2k7j n LEU 88 CO 0.36 0.60 -0.49 -1.59 -1.51 0.00 0.00 177.39 174.77 2k7j s LYS 89 N -2.48 1.31 0.47 3.23 -2.85 -1.26 -5.00 119.74 113.15 2k7j s LYS 89 Ca -0.16 -0.56 -0.23 0.00 -1.00 0.00 0.00 55.97 54.02 2k7j s LYS 89 Cb 0.07 -1.25 -0.07 0.00 -2.06 0.00 0.00 37.83 34.51 2k7j s LYS 89 CO 0.74 0.32 1.18 -0.51 0.10 0.00 0.00 175.35 177.18 2k7j s LEU 90 N -0.31 3.99 0.26 2.77 1.43 -1.26 -4.94 118.68 120.61 2k7j s LEU 90 Ca 0.05 2.33 0.14 0.00 -1.03 0.00 0.00 54.13 55.62 2k7j s LEU 90 Cb -0.07 -4.25 0.03 0.00 0.03 0.00 0.00 46.19 41.93 2k7j s LEU 90 CO -0.00 -0.97 1.42 -2.24 0.23 0.00 0.00 176.35 174.79 2k7j h ASP 91 N 1.98 0.00 -3.03 2.29 2.03 -2.00 -3.46 116.42 114.24 2k7j h ASP 91 Ca -0.49 0.00 -0.48 0.00 -0.73 0.00 0.00 57.03 55.32 2k7j h ASP 91 Cb 1.25 0.00 -0.14 0.00 -0.83 0.00 0.00 39.33 39.61 2k7j h ASP 91 CO 0.60 0.58 -0.66 -0.31 -1.03 0.00 0.00 179.24 178.42 2k7j s TYR 92 N -2.93 1.94 -0.03 4.15 2.02 -1.26 -5.06 117.35 116.17 2k7j s TYR 92 Ca 0.03 -0.76 0.04 0.00 -0.37 0.00 0.00 57.07 56.01 2k7j s TYR 92 Cb 0.08 -1.15 -0.06 0.00 -0.40 0.00 0.00 41.96 40.44 2k7j s TYR 92 CO 0.76 0.21 0.04 0.43 -1.57 0.00 0.00 175.55 175.42 2k7j n SER 93 N -0.60 3.97 -3.82 2.29 7.64 -1.26 -4.88 113.62 116.95 2k7j n SER 93 Ca -0.05 0.00 -0.13 0.00 1.01 0.00 0.00 58.87 59.70 2k7j n SER 93 Cb 0.64 0.82 -0.14 0.00 -1.01 0.00 0.00 64.21 64.51 2k7j n SER 93 CO 0.00 0.00 0.00 1.51 -3.01 0.00 0.00 175.04 173.54 2k7j s ASP 94 N -3.16 -0.01 0.16 6.43 -4.77 -1.26 -4.87 116.67 109.18 2k7j s ASP 94 Ca -0.02 0.07 -0.31 0.00 -3.30 0.00 0.00 52.55 48.99 2k7j s ASP 94 Cb 0.02 0.03 -0.11 0.00 -1.09 0.00 0.00 42.92 41.77 2k7j s ASP 94 CO 0.18 -0.06 1.77 0.12 0.70 0.00 0.00 175.17 177.88 2k7j s PHE 95 N 0.43 2.50 0.43 2.11 2.19 -1.26 -4.54 117.98 119.85 2k7j s PHE 95 Ca -0.03 0.17 0.03 0.00 0.33 0.00 0.00 56.93 57.43 2k7j s PHE 95 Cb -0.05 -4.14 -0.04 0.00 -1.31 0.00 0.00 43.02 37.48 2k7j s PHE 95 CO -0.01 -4.53 0.05 -1.14 1.83 0.00 0.00 175.22 171.41 2k7j s GLN 96 N 2.05 1.99 0.02 10.12 0.74 -1.10 -4.93 119.66 128.55 2k7j s GLN 96 Ca 0.78 -2.21 0.08 0.00 0.05 0.00 0.00 55.36 54.05 2k7j s GLN 96 Cb -0.47 -1.18 -0.02 0.00 1.10 0.00 0.00 33.01 32.44 2k7j s GLN 96 CO 0.34 -0.32 -0.24 0.42 -0.55 0.00 0.00 175.29 174.95 2k7j s ILE 97 N -3.01 1.89 -0.02 -2.34 1.01 -1.26 -3.62 121.20 113.85 2k7j s ILE 97 Ca 0.21 -1.17 -0.00 0.00 0.00 0.00 0.00 60.65 59.69 2k7j s ILE 97 Cb 0.04 -1.60 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2k7j s ILE 97 CO 0.11 0.40 0.04 -0.69 0.00 0.00 0.00 174.94 174.79 2k7j s VAL 98 N -0.69 4.46 -2.00 2.92 1.01 -0.83 -4.89 120.40 120.37 2k7j s VAL 98 Ca 0.09 -0.44 0.03 0.00 0.00 0.00 0.00 61.98 61.66 2k7j s VAL 98 Cb -0.09 -2.99 0.08 0.00 0.00 0.00 0.00 36.38 33.38 2k7j s VAL 98 CO 0.01 0.41 0.66 1.17 0.00 0.00 0.00 175.10 177.34