#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j s ALA 2 N 0.00 3.37 0.16 4.61 0.00 -1.26 -5.13 121.76 123.51 2k7j s ALA 2 Ca 0.00 -1.08 0.06 0.00 0.00 0.00 0.00 51.96 50.94 2k7j s ALA 2 Cb 0.00 -1.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.82 2k7j s ALA 2 CO 0.00 0.72 0.03 -1.83 0.00 0.00 0.00 175.76 174.67 2k7j s GLU 3 N -2.32 2.53 0.00 0.00 1.03 -1.26 -5.01 118.70 113.68 2k7j s GLU 3 Ca 0.27 -1.01 0.00 0.00 0.03 0.00 0.00 54.97 54.25 2k7j s GLU 3 Cb -0.12 -2.45 0.00 0.00 -0.80 0.00 0.00 34.13 30.76 2k7j s GLU 3 CO 0.19 0.48 0.00 0.41 -1.33 0.00 0.00 175.26 175.01 2k7j n GLY 4 N -0.05 -1.12 3.32 -3.83 0.00 -1.26 -5.09 105.19 97.16 2k7j n GLY 4 Ca -0.10 0.26 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 2k7j n GLY 4 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2k7j n ASN 5 N 0.00 5.59 -4.18 1.61 2.85 -1.26 -4.73 115.26 115.13 2k7j n ASN 5 Ca 0.00 -3.07 -0.40 0.00 -0.11 0.00 0.00 54.58 51.01 2k7j n ASN 5 Cb 0.00 -1.38 -0.09 0.00 1.24 0.00 0.00 39.78 39.55 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 2k7j s THR 6 N -1.31 4.02 -0.11 -0.44 2.01 -1.26 -5.05 115.64 113.51 2k7j s THR 6 Ca 0.31 -2.05 -0.23 0.00 0.31 0.00 0.00 61.69 60.04 2k7j s THR 6 Cb -0.09 -3.66 -0.03 0.00 0.01 0.00 0.00 72.50 68.74 2k7j s THR 6 CO -0.06 -0.79 0.69 -0.76 -0.69 0.00 0.00 174.62 173.01 2k7j s LEU 7 N 1.05 4.26 0.00 4.42 1.43 -1.26 -0.59 118.68 127.98 2k7j s LEU 7 Ca 0.08 1.09 0.06 0.00 -1.03 0.00 0.00 54.13 54.34 2k7j s LEU 7 Cb -0.24 -3.04 -0.02 0.00 0.03 0.00 0.00 46.19 42.92 2k7j s LEU 7 CO -0.02 -0.18 0.23 2.30 0.23 0.00 0.00 176.35 178.91 2k7j n ILE 8 N 4.10 0.00 -3.37 -0.59 -5.35 -0.65 -1.90 119.36 111.60 2k7j n ILE 8 Ca -0.01 -2.31 -0.09 0.00 -0.27 0.00 0.00 62.75 60.07 2k7j n ILE 8 Cb 0.51 1.06 -0.08 0.00 -1.74 0.00 0.00 39.64 39.38 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 2k7j s SER 9 N -3.27 0.22 -0.05 7.28 1.04 0.49 -2.22 113.70 117.19 2k7j s SER 9 Ca 0.33 0.26 0.05 0.00 0.48 0.00 0.00 55.95 57.07 2k7j s SER 9 Cb 0.02 1.12 -0.01 0.00 0.10 0.00 0.00 66.02 67.25 2k7j s SER 9 CO 0.23 -0.30 -0.21 0.54 0.98 0.00 0.00 173.24 174.48 2k7j s VAL 10 N 2.55 1.76 0.02 5.02 0.11 -1.22 -1.60 120.40 127.04 2k7j s VAL 10 Ca 0.12 -0.91 0.08 0.00 -2.93 0.00 0.00 61.98 58.34 2k7j s VAL 10 Cb -0.15 -1.49 -0.02 0.00 -1.53 0.00 0.00 36.38 33.18 2k7j s VAL 10 CO -0.16 0.50 -0.23 1.51 -3.33 0.00 0.00 175.10 173.39 2k7j s ASP 11 N -0.12 2.71 0.24 3.54 -4.77 -1.26 -0.66 116.67 116.35 2k7j s ASP 11 Ca -0.02 -0.50 -0.14 0.00 -3.30 0.00 0.00 52.55 48.59 2k7j s ASP 11 Cb -0.12 -0.26 -0.00 0.00 -1.09 0.00 0.00 42.92 41.45 2k7j s ASP 11 CO 0.03 0.23 0.49 -0.72 0.70 0.00 0.00 175.17 175.89 2k7j s TYR 12 N -0.71 0.29 -0.60 2.11 -0.85 -0.49 -3.74 117.35 113.36 2k7j s TYR 12 Ca 0.09 -0.66 0.03 0.00 -0.52 0.00 0.00 57.07 56.01 2k7j s TYR 12 Cb -0.09 0.23 0.15 0.00 0.38 0.00 0.00 41.96 42.63 2k7j s TYR 12 CO 0.01 -0.99 0.37 -1.83 -1.52 0.00 0.00 175.55 171.59 2k7j s GLU 13 N -4.00 2.27 0.42 -3.49 1.03 -1.26 -0.11 118.70 113.55 2k7j s GLU 13 Ca 0.20 -2.81 -0.24 0.00 0.03 0.00 0.00 54.97 52.15 2k7j s GLU 13 Cb -0.01 -3.45 -0.11 0.00 -0.80 0.00 0.00 34.13 29.76 2k7j s GLU 13 CO 0.07 -1.17 0.94 -0.89 -1.33 0.00 0.00 175.26 172.89 2k7j n ILE 14 N 2.87 2.36 -2.78 1.83 2.08 -0.66 -4.60 119.36 120.46 2k7j n ILE 14 Ca 0.10 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.91 2k7j n ILE 14 Cb 0.34 -1.05 0.00 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 -0.53 -3.08 0.00 1.39 3.72 -1.14 -2.11 117.46 115.70 2k7j n PHE 15 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k7j n PHE 15 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 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 5.00 -0.19 2.81 1.37 0.00 -1.26 -4.57 105.19 108.36 2k7j n GLY 16 Ca 0.00 -1.81 -0.41 0.00 0.00 0.00 0.00 46.02 43.80 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 -0.15 2.40 -0.78 1.61 2.85 -1.05 -4.53 118.16 118.52 2k7j n LYS 17 Ca 0.00 -2.22 -0.03 0.00 -1.05 0.00 0.00 58.31 55.01 2k7j n LYS 17 Cb 0.00 -3.06 0.23 0.00 -0.65 0.00 0.00 35.03 31.55 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 5.22 2.61 -5.02 0.58 0.24 -1.26 -2.89 118.33 117.80 2k7j n VAL 18 Ca 0.53 -2.22 -0.29 0.00 -2.04 0.00 0.00 64.34 60.32 2k7j n VAL 18 Cb 0.36 -0.32 -0.17 0.00 -1.47 0.00 0.00 33.84 32.24 2k7j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7j s GLN 19 N -3.09 2.55 0.00 7.34 1.03 -1.26 -4.68 119.66 121.55 2k7j s GLN 19 Ca 0.47 -0.74 0.00 0.00 0.04 0.00 0.00 55.36 55.13 2k7j s GLN 19 Cb 0.40 -1.99 0.00 0.00 0.03 0.00 0.00 33.01 31.45 2k7j s GLN 19 CO 0.06 0.16 0.00 0.41 -2.54 0.00 0.00 175.29 173.38 2k7j n GLY 20 N 3.52 0.72 3.15 2.60 0.00 -1.26 -5.07 105.19 108.84 2k7j n GLY 20 Ca -0.20 -0.57 -0.25 0.00 0.00 0.00 0.00 46.02 45.01 2k7j n GLY 20 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2k7j n VAL 21 N -2.53 0.00 -3.71 1.61 0.24 -1.26 -5.10 118.33 107.58 2k7j n VAL 21 Ca 0.00 -2.20 -0.32 0.00 -2.04 0.00 0.00 64.34 59.78 2k7j n VAL 21 Cb 0.02 0.73 -0.09 0.00 -1.47 0.00 0.00 33.84 33.03 2k7j n VAL 21 CO 0.00 0.00 0.00 0.33 -2.14 0.00 0.00 176.83 175.02 2k7j n PHE 22 N -0.91 3.73 -0.01 6.34 7.35 -1.26 -4.75 117.46 127.95 2k7j n PHE 22 Ca -0.08 -4.17 -0.01 0.00 -0.76 0.00 0.00 57.45 52.44 2k7j n PHE 22 Cb 0.57 -0.88 -0.03 0.00 0.35 0.00 0.00 39.48 39.49 2k7j n PHE 22 CO 0.00 0.00 0.00 1.97 -0.76 0.00 0.00 176.76 177.97 2k7j n PHE 23 N 1.99 0.00 -0.32 -5.13 -1.74 -1.26 -4.65 117.46 106.35 2k7j n PHE 23 Ca 0.22 0.00 0.14 0.00 -0.56 0.00 0.00 57.45 57.25 2k7j n PHE 23 Cb 0.36 -0.14 0.38 0.00 1.52 0.00 0.00 39.48 41.60 2k7j n PHE 23 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k7j h ARG 24 N 0.00 0.65 -0.74 3.97 3.08 -1.97 0.25 114.38 119.62 2k7j h ARG 24 Ca -0.07 -0.04 0.13 0.00 0.07 0.00 0.00 59.98 60.07 2k7j h ARG 24 Cb 0.97 -0.15 -0.05 0.00 0.08 0.00 0.00 29.97 30.82 2k7j h ARG 24 CO 0.00 0.43 0.49 -0.22 -1.07 0.00 0.00 179.97 179.61 2k7j h LYS 25 N 0.67 0.49 0.00 0.04 1.63 -1.97 -1.21 116.57 116.23 2k7j h LYS 25 Ca 0.53 -0.03 -0.19 0.00 -0.85 0.00 0.00 60.65 60.11 2k7j h LYS 25 Cb 0.93 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 32.42 2k7j h LYS 25 CO -0.29 0.32 -1.65 0.72 -3.45 0.00 0.00 179.45 175.10 2k7j n HIS 26 N -4.49 0.73 -0.04 1.91 8.25 0.54 -3.74 115.22 118.38 2k7j n HIS 26 Ca 0.13 0.24 0.02 0.00 -0.26 0.00 0.00 57.72 57.86 2k7j n HIS 26 Cb 0.45 -1.02 0.36 0.00 1.12 0.00 0.00 29.99 30.89 2k7j n HIS 26 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2k7j h THR 27 N 0.00 1.15 0.00 1.59 2.02 0.51 -1.60 112.91 116.58 2k7j h THR 27 Ca -0.22 -0.39 -0.14 0.00 0.77 0.00 0.00 66.41 66.43 2k7j h THR 27 Cb 1.66 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 68.61 2k7j h THR 27 CO 0.04 0.16 -0.86 0.06 0.37 0.00 0.00 175.52 175.30 2k7j h GLN 28 N 0.62 0.00 0.02 6.66 -0.00 -1.54 -3.28 115.11 117.59 2k7j h GLN 28 Ca 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.81 2k7j h GLN 28 Cb 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.52 2k7j h GLN 28 CO -0.02 0.51 -0.01 0.00 -0.00 0.00 0.00 178.83 179.31 2k7j h ALA 29 N 1.39 -0.02 -0.38 0.06 0.00 -1.45 -3.08 119.26 115.78 2k7j h ALA 29 Ca -0.06 -0.22 0.07 0.00 0.00 0.00 0.00 54.91 54.70 2k7j h ALA 29 Cb 1.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.29 2k7j h ALA 29 CO 0.07 -0.29 0.26 1.05 0.00 0.00 0.00 179.25 180.34 2k7j h GLU 30 N -0.46 0.22 0.00 0.00 4.11 -1.45 -0.00 114.58 117.00 2k7j h GLU 30 Ca -0.00 -0.01 -0.01 0.00 0.07 0.00 0.00 59.36 59.40 2k7j h GLU 30 Cb 0.45 -0.05 -0.00 0.00 0.50 0.00 0.00 28.75 29.64 2k7j h GLU 30 CO 0.00 0.15 -0.06 0.78 0.07 0.00 0.00 179.01 179.95 2k7j h GLY 31 N 0.23 0.00 1.78 1.06 0.00 -1.59 -2.29 103.07 102.26 2k7j h GLY 31 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 47.33 47.28 2k7j h GLY 31 CO -0.03 0.00 -1.00 0.50 0.00 0.00 0.00 176.54 176.01 2k7j h LYS 32 N 0.00 0.18 -0.58 4.80 1.79 -1.00 0.02 116.57 121.77 2k7j h LYS 32 Ca -0.00 -0.24 0.07 0.00 -2.18 0.00 0.00 60.65 58.30 2k7j h LYS 32 Cb 0.28 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 30.95 2k7j h LYS 32 CO 0.01 1.03 0.25 -0.22 -1.08 0.00 0.00 179.45 179.44 2k7j h LYS 33 N 0.08 0.45 0.12 3.15 3.11 -1.41 -3.07 116.57 119.01 2k7j h LYS 33 Ca -0.06 -0.03 -0.30 0.00 -2.81 0.00 0.00 60.65 57.45 2k7j h LYS 33 Cb 1.68 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.80 2k7j h LYS 33 CO 0.15 0.30 -1.58 -0.07 -2.81 0.00 0.00 179.45 175.45 2k7j h LEU 34 N 0.47 0.40 0.00 5.20 3.38 -1.63 -3.49 115.31 119.64 2k7j h LEU 34 Ca 0.28 -0.86 0.00 0.00 0.09 0.00 0.00 57.88 57.39 2k7j h LEU 34 Cb 0.28 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.90 2k7j h LEU 34 CO -0.24 1.69 0.00 0.61 0.09 0.00 0.00 178.44 180.58 2k7j n GLY 35 N 1.79 1.08 3.85 0.83 0.00 -0.24 -5.04 105.19 107.46 2k7j n GLY 35 Ca -0.27 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.54 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 3.76 0.00 0.99 1.43 -0.17 -4.87 118.68 119.82 2k7j s LEU 36 Ca 0.00 -0.33 0.01 0.00 -1.03 0.00 0.00 54.13 52.78 2k7j s LEU 36 Cb 0.00 -2.34 -0.00 0.00 0.03 0.00 0.00 46.19 43.88 2k7j s LEU 36 CO 0.00 -0.19 0.02 1.33 0.23 0.00 0.00 176.35 177.74 2k7j n VAL 37 N -1.29 0.00 0.00 -1.59 0.24 0.42 -4.05 118.33 112.06 2k7j n VAL 37 Ca -0.05 -1.96 0.00 0.00 -2.04 0.00 0.00 64.34 60.29 2k7j n VAL 37 Cb 0.59 0.44 0.00 0.00 -1.47 0.00 0.00 33.84 33.40 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 0.01 0.57 3.52 7.63 0.00 -1.26 -1.56 105.19 114.09 2k7j n GLY 38 Ca -0.15 -1.42 -0.14 0.00 0.00 0.00 0.00 46.02 44.31 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 -4.00 -0.51 -0.02 1.61 -2.14 -1.26 -3.66 118.94 108.96 2k7j s TRP 39 Ca 0.00 0.72 0.05 0.00 2.66 0.00 0.00 56.10 59.53 2k7j s TRP 39 Cb 0.00 0.46 -0.01 0.00 -3.10 0.00 0.00 33.47 30.82 2k7j s TRP 39 CO 0.00 -0.57 -0.16 0.08 -2.66 0.00 0.00 176.95 173.65 2k7j s VAL 40 N -1.88 1.25 -0.28 -0.66 1.01 -1.25 -3.41 120.40 115.19 2k7j s VAL 40 Ca -0.04 -0.67 -0.25 0.00 0.00 0.00 0.00 61.98 61.02 2k7j s VAL 40 Cb -0.00 -1.05 0.13 0.00 0.00 0.00 0.00 36.38 35.45 2k7j s VAL 40 CO 0.01 0.36 1.05 -1.58 0.00 0.00 0.00 175.10 174.94 2k7j s GLN 41 N -0.28 0.48 0.74 2.72 0.74 -1.26 -2.09 119.66 120.72 2k7j s GLN 41 Ca 0.04 0.58 -0.08 0.00 0.05 0.00 0.00 55.36 55.95 2k7j s GLN 41 Cb -0.07 0.24 0.08 0.00 1.10 0.00 0.00 33.01 34.35 2k7j s GLN 41 CO -0.00 -0.06 1.06 0.54 -0.55 0.00 0.00 175.29 176.28 2k7j s ASN 42 N 0.23 4.61 0.47 6.67 2.20 -1.26 -2.18 114.94 125.68 2k7j s ASN 42 Ca 0.03 0.45 0.02 0.00 -0.94 0.00 0.00 52.86 52.42 2k7j s ASN 42 Cb -0.05 -1.01 -0.01 0.00 -2.00 0.00 0.00 41.25 38.18 2k7j s ASN 42 CO -0.07 -1.75 0.08 0.35 -2.94 0.00 0.00 177.10 172.77 2k7j n THR 43 N -3.04 0.00 -1.01 0.54 -2.24 -0.84 -4.85 114.28 102.83 2k7j n THR 43 Ca 0.09 -2.47 -0.13 0.00 -2.27 0.00 0.00 64.05 59.27 2k7j n THR 43 Cb 0.60 0.69 0.24 0.00 -2.10 0.00 0.00 70.33 69.77 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 -1.41 4.30 -0.01 3.42 8.00 -1.26 -4.18 116.55 125.41 2k7j n ASP 44 Ca -0.14 -3.32 -0.01 0.00 0.71 0.00 0.00 54.79 52.04 2k7j n ASP 44 Cb 0.65 -0.78 -0.01 0.00 -0.02 0.00 0.00 41.12 40.97 2k7j n ASP 44 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 2k7j n ARG 45 N -0.53 1.77 0.00 -1.24 1.74 -1.26 -5.04 116.66 112.09 2k7j n ARG 45 Ca 0.47 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.55 2k7j n ARG 45 Cb 1.47 -1.02 0.00 0.00 -1.02 0.00 0.00 32.46 31.89 2k7j n ARG 45 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2k7j n GLY 46 N 3.22 0.99 2.70 -0.13 0.00 -1.26 -5.16 105.19 105.55 2k7j n GLY 46 Ca -0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 2k7j n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k7j n THR 47 N 0.00 0.00 -3.71 2.61 -2.24 -1.26 -4.43 114.28 105.25 2k7j n THR 47 Ca 0.00 -1.48 -0.25 0.00 -2.27 0.00 0.00 64.05 60.05 2k7j n THR 47 Cb 0.00 0.89 -0.17 0.00 -2.10 0.00 0.00 70.33 68.95 2k7j n THR 47 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k7j s VAL 48 N -2.77 0.29 -0.89 2.28 1.01 -0.90 -1.99 120.40 117.43 2k7j s VAL 48 Ca 0.24 -0.18 -0.25 0.00 0.00 0.00 0.00 61.98 61.79 2k7j s VAL 48 Cb -0.01 -0.70 0.02 0.00 0.00 0.00 0.00 36.38 35.69 2k7j s VAL 48 CO 0.17 -0.05 1.52 -1.10 0.00 0.00 0.00 175.10 175.64 2k7j s GLN 49 N 1.98 3.24 -0.06 2.72 -0.21 -0.93 -1.65 119.66 124.75 2k7j s GLN 49 Ca 0.02 -0.61 0.01 0.00 0.02 0.00 0.00 55.36 54.80 2k7j s GLN 49 Cb -0.15 -4.92 -0.03 0.00 1.00 0.00 0.00 33.01 28.91 2k7j s GLN 49 CO -0.07 -2.43 -0.06 0.20 -2.12 0.00 0.00 175.29 170.81 2k7j s GLY 50 N 5.41 1.72 0.08 3.09 0.00 0.84 -4.04 107.32 114.42 2k7j s GLY 50 Ca 0.49 -0.89 0.09 0.00 0.00 0.00 0.00 44.72 44.40 2k7j s GLY 50 CO 0.01 -0.67 -0.21 1.25 0.00 0.00 0.00 173.10 173.47 2k7j s LYS 51 N -0.88 1.82 -0.47 2.90 2.20 -1.22 -1.40 119.74 122.70 2k7j s LYS 51 Ca 0.13 -1.13 0.04 0.00 -0.36 0.00 0.00 55.97 54.65 2k7j s LYS 51 Cb -0.11 -2.08 0.12 0.00 -1.51 0.00 0.00 37.83 34.25 2k7j s LYS 51 CO 0.02 0.50 0.20 -0.51 -0.36 0.00 0.00 175.35 175.20 2k7j s LEU 52 N -1.73 4.39 -0.16 5.43 1.43 0.17 -4.25 118.68 123.96 2k7j s LEU 52 Ca 0.15 -2.76 -0.14 0.00 -1.03 0.00 0.00 54.13 50.35 2k7j s LEU 52 Cb -0.10 -1.62 -0.05 0.00 0.03 0.00 0.00 46.19 44.45 2k7j s LEU 52 CO 0.06 -0.27 0.32 -1.10 0.23 0.00 0.00 176.35 175.59 2k7j s GLN 53 N 0.06 4.27 0.00 1.70 -0.21 -0.60 -3.40 119.66 121.48 2k7j s GLN 53 Ca 0.15 0.14 0.00 0.00 0.02 0.00 0.00 55.36 55.67 2k7j s GLN 53 Cb -0.24 -3.43 0.00 0.00 1.00 0.00 0.00 33.01 30.34 2k7j s GLN 53 CO -0.02 0.21 0.00 0.41 -2.12 0.00 0.00 175.29 173.77 2k7j n GLY 54 N 3.41 -0.65 3.75 3.09 0.00 -0.94 -0.43 105.19 113.42 2k7j n GLY 54 Ca -0.11 -1.50 -0.41 0.00 0.00 0.00 0.00 46.02 44.00 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 -1.94 4.42 0.48 1.61 0.04 -1.26 -1.63 135.00 136.72 2k7j s PRO 55 Ca 0.00 2.05 0.19 0.00 0.04 0.00 0.00 61.00 63.28 2k7j s PRO 55 Cb 0.00 -3.17 1.21 0.00 0.04 0.00 0.00 34.50 32.58 2k7j s PRO 55 CO 0.00 -0.18 2.01 0.82 0.04 0.00 0.00 177.00 179.69 2k7j h ILE 56 N 3.53 0.84 -0.78 0.56 2.04 -1.20 -0.14 117.51 122.36 2k7j h ILE 56 Ca -0.46 -0.06 0.23 0.00 1.00 0.00 0.00 64.86 65.56 2k7j h ILE 56 Cb 1.22 0.64 -0.03 0.00 -0.74 0.00 0.00 36.82 37.90 2k7j h ILE 56 CO 0.74 0.03 0.56 0.28 0.00 0.00 0.00 178.15 179.76 2k7j h SER 57 N 0.19 0.00 0.00 1.72 0.02 -1.85 0.02 113.55 113.65 2k7j h SER 57 Ca 0.23 0.00 -0.31 0.00 -0.84 0.00 0.00 61.79 60.87 2k7j h SER 57 Cb 0.67 -0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.15 2k7j h SER 57 CO -0.04 0.00 -2.17 0.29 -1.14 0.00 0.00 176.83 173.78 2k7j n LYS 58 N -4.30 0.71 -0.29 3.45 4.01 -0.22 -4.49 118.16 117.02 2k7j n LYS 58 Ca 0.16 0.09 0.08 0.00 -0.51 0.00 0.00 58.31 58.13 2k7j n LYS 58 Cb 0.85 -1.42 0.30 0.00 -0.51 0.00 0.00 35.03 34.25 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 0.00 0.95 -0.29 -0.18 2.07 -0.59 0.91 116.25 119.12 2k7j h VAL 59 Ca -0.46 -0.30 0.08 0.00 0.82 0.00 0.00 66.70 66.84 2k7j h VAL 59 Cb 1.78 -0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 31.53 2k7j h VAL 59 CO -0.05 0.16 0.29 0.03 0.02 0.00 0.00 177.57 178.02 2k7j h ARG 60 N 0.88 0.00 0.02 1.57 2.47 -1.23 0.16 114.38 118.24 2k7j h ARG 60 Ca 0.43 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.78 2k7j h ARG 60 Cb 0.44 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.70 2k7j h ARG 60 CO -0.19 0.00 -2.25 0.39 0.56 0.00 0.00 179.97 178.48 2k7j n GLU 61 N -3.87 0.68 0.20 0.04 -0.58 0.14 -4.27 120.64 112.98 2k7j n GLU 61 Ca 0.04 0.13 0.04 0.00 -0.42 0.00 0.00 57.16 56.95 2k7j n GLU 61 Cb 0.44 -1.59 0.41 0.00 -0.57 0.00 0.00 31.44 30.12 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 0.01 0.00 0.00 3.49 4.05 -0.05 -2.43 114.93 120.00 2k7j h MET 62 Ca -0.50 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 58.91 2k7j h MET 62 Cb 2.07 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.87 2k7j h MET 62 CO 0.01 0.34 -0.08 -0.56 0.23 0.00 0.00 176.91 176.85 2k7j h GLN 63 N 0.00 0.00 0.00 0.39 3.07 -0.92 -1.99 115.11 115.66 2k7j h GLN 63 Ca -0.00 0.00 -0.20 0.00 0.09 0.00 0.00 58.65 58.54 2k7j h GLN 63 Cb 0.64 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.16 2k7j h GLN 63 CO 0.04 0.08 -1.58 1.63 0.09 0.00 0.00 178.83 179.09 2k7j n LYS 64 N -3.96 0.63 0.24 0.06 5.02 -0.95 -2.42 118.16 116.79 2k7j n LYS 64 Ca -0.03 0.20 0.10 0.00 -2.02 0.00 0.00 58.31 56.56 2k7j n LYS 64 Cb 0.17 -1.77 0.61 0.00 -0.02 0.00 0.00 35.03 34.02 2k7j n LYS 64 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2k7j h TRP 65 N 0.00 0.00 0.00 2.13 4.06 -1.03 0.15 115.95 121.25 2k7j h TRP 65 Ca -0.21 0.00 -0.19 0.00 2.06 0.00 0.00 58.89 60.55 2k7j h TRP 65 Cb 1.70 0.00 -0.04 0.00 -1.00 0.00 0.00 29.16 29.82 2k7j h TRP 65 CO 0.00 0.18 -2.00 1.28 -3.56 0.00 0.00 178.44 174.34 2k7j n LEU 66 N -3.78 0.00 -0.05 -4.49 4.77 -1.06 -2.79 117.00 109.60 2k7j n LEU 66 Ca -0.02 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.91 2k7j n LEU 66 Cb 0.29 0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.58 2k7j n LEU 66 CO 0.33 0.25 0.16 -0.08 -1.33 0.00 0.00 177.39 176.71 2k7j h GLU 67 N 0.00 -0.02 0.03 3.23 4.81 -1.33 -3.41 114.58 117.89 2k7j h GLU 67 Ca -0.28 0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.71 2k7j h GLU 67 Cb 1.55 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.91 2k7j h GLU 67 CO 0.02 0.35 -1.34 1.79 -0.73 0.00 0.00 179.01 179.10 2k7j h THR 68 N -1.00 0.92 -2.00 0.32 1.35 -1.00 -3.44 112.91 108.06 2k7j h THR 68 Ca -0.00 -2.24 -0.47 0.00 -0.55 0.00 0.00 66.41 63.15 2k7j h THR 68 Cb 0.38 2.38 0.07 0.00 -1.73 0.00 0.00 68.15 69.25 2k7j h THR 68 CO 0.00 0.47 0.06 -0.13 -0.25 0.00 0.00 175.52 175.67 2k7j s ARG 69 N -2.40 1.86 0.00 4.72 1.81 -0.62 -4.93 118.95 119.39 2k7j s ARG 69 Ca -0.26 -1.15 0.00 0.00 -1.72 0.00 0.00 55.73 52.60 2k7j s ARG 69 Cb 0.05 -2.39 0.00 0.00 -0.45 0.00 0.00 34.95 32.16 2k7j s ARG 69 CO 0.64 -1.29 0.00 0.41 -0.68 0.00 0.00 175.30 174.39 2k7j n GLY 70 N -2.70 -1.99 3.43 -3.53 0.00 -1.12 -3.73 105.19 95.56 2k7j n GLY 70 Ca 0.14 0.78 -0.12 0.00 0.00 0.00 0.00 46.02 46.83 2k7j n GLY 70 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2k7j s SER 71 N -4.00 -0.52 0.30 1.61 1.04 -1.26 -4.94 113.70 105.93 2k7j s SER 71 Ca 0.00 -0.07 0.08 0.00 0.48 0.00 0.00 55.95 56.44 2k7j s SER 71 Cb 0.00 0.59 0.46 0.00 0.10 0.00 0.00 66.02 67.18 2k7j s SER 71 CO 0.00 -0.98 1.69 1.55 0.98 0.00 0.00 173.24 176.48 2k7j h PRO 72 N 2.04 0.13 0.00 4.02 0.13 -2.02 -3.35 132.00 132.95 2k7j h PRO 72 Ca -0.33 -0.07 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2k7j h PRO 72 Cb 1.30 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2k7j h PRO 72 CO 0.38 0.58 0.00 0.39 -0.23 0.00 0.00 178.00 179.13 2k7j n GLU 73 N -3.97 0.00 -1.06 0.86 -0.58 -1.26 -4.89 120.64 109.74 2k7j n GLU 73 Ca -0.02 0.44 -0.29 0.00 -0.42 0.00 0.00 57.16 56.88 2k7j n GLU 73 Cb 0.51 -1.13 0.22 0.00 -0.57 0.00 0.00 31.44 30.47 2k7j n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2k7j s SER 74 N -2.49 1.45 0.04 1.62 1.04 -1.26 -5.06 113.70 109.03 2k7j s SER 74 Ca 0.00 0.89 -0.01 0.00 0.48 0.00 0.00 55.95 57.31 2k7j s SER 74 Cb 0.00 -1.33 -0.03 0.00 0.10 0.00 0.00 66.02 64.76 2k7j s SER 74 CO 0.00 -3.82 -0.03 -2.28 0.98 0.00 0.00 173.24 168.08 2k7j s HIS 75 N -2.93 0.43 -0.33 5.02 2.46 -1.14 -4.57 115.29 114.22 2k7j s HIS 75 Ca 0.69 -0.86 0.00 0.00 0.47 0.00 0.00 55.06 55.36 2k7j s HIS 75 Cb -0.14 -0.31 0.10 0.00 -0.13 0.00 0.00 32.58 32.10 2k7j s HIS 75 CO 0.57 -0.30 0.11 0.42 -2.47 0.00 0.00 174.74 173.07 2k7j s ILE 76 N -2.95 1.10 -0.07 0.89 1.01 -1.26 -2.54 121.20 117.37 2k7j s ILE 76 Ca -0.02 -1.66 0.13 0.00 0.00 0.00 0.00 60.65 59.10 2k7j s ILE 76 Cb 0.01 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.64 2k7j s ILE 76 CO -0.06 -0.70 1.40 -0.78 0.00 0.00 0.00 174.94 174.80 2k7j h ASP 77 N 7.86 0.00 -4.59 3.58 1.82 -1.93 -3.48 116.42 119.68 2k7j h ASP 77 Ca -0.11 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.62 2k7j h ASP 77 Cb 1.00 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 40.85 2k7j h ASP 77 CO 0.48 0.65 0.47 -1.59 -1.61 0.00 0.00 179.24 177.64 2k7j s LYS 78 N -2.89 0.82 0.08 0.28 -2.85 -1.26 -5.05 119.74 108.87 2k7j s LYS 78 Ca 0.03 -0.21 -0.26 0.00 -1.00 0.00 0.00 55.97 54.53 2k7j s LYS 78 Cb 0.08 0.38 0.08 0.00 -2.06 0.00 0.00 37.83 36.31 2k7j s LYS 78 CO 0.77 -0.34 0.70 0.00 0.10 0.00 0.00 175.35 176.58 2k7j s ALA 79 N -2.74 -1.69 0.26 0.59 0.00 -1.26 -2.91 121.76 114.01 2k7j s ALA 79 Ca 0.03 0.76 -0.20 0.00 0.00 0.00 0.00 51.96 52.55 2k7j s ALA 79 Cb -0.01 0.61 0.02 0.00 0.00 0.00 0.00 23.12 23.74 2k7j s ALA 79 CO -0.07 -0.69 0.67 -0.80 0.00 0.00 0.00 175.76 174.88 2k7j s ASN 80 N -2.45 -0.26 0.34 0.00 -0.87 -1.26 -5.04 114.94 105.40 2k7j s ASN 80 Ca 0.01 -0.60 0.08 0.00 -1.57 0.00 0.00 52.86 50.78 2k7j s ASN 80 Cb -0.01 0.69 -0.03 0.00 -0.02 0.00 0.00 41.25 41.88 2k7j s ASN 80 CO -0.09 -1.28 0.23 0.72 -2.57 0.00 0.00 177.10 174.11 2k7j s PHE 81 N -3.92 2.81 0.00 2.20 -0.12 -1.26 -4.51 117.98 113.19 2k7j s PHE 81 Ca 0.12 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.65 2k7j s PHE 81 Cb -0.05 -1.74 0.00 0.00 -0.63 0.00 0.00 43.02 40.60 2k7j s PHE 81 CO 0.05 0.24 0.00 1.63 -0.05 0.00 0.00 175.22 177.10 2k7j n LYS 82 N -1.28 0.00 -3.21 1.99 5.02 -1.24 -5.04 118.16 114.39 2k7j n LYS 82 Ca -0.02 0.00 0.04 0.00 -2.02 0.00 0.00 58.31 56.31 2k7j n LYS 82 Cb 0.60 -0.37 -0.02 0.00 -0.02 0.00 0.00 35.03 35.22 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 -3.34 -0.56 1.02 4.39 3.84 -1.26 -5.10 114.94 113.92 2k7j s ASN 83 Ca 0.00 0.45 -0.12 0.00 0.21 0.00 0.00 52.86 53.41 2k7j s ASN 83 Cb 0.00 1.51 0.20 0.00 -0.55 0.00 0.00 41.25 42.41 2k7j s ASN 83 CO 0.00 -0.11 1.08 -1.83 -2.79 0.00 0.00 177.10 173.45 2k7j s GLU 84 N 2.79 0.24 -0.04 0.43 1.03 -1.26 -4.59 118.70 117.30 2k7j s GLU 84 Ca 0.01 0.96 -0.02 0.00 0.03 0.00 0.00 54.97 55.95 2k7j s GLU 84 Cb -0.09 -1.68 0.03 0.00 -0.80 0.00 0.00 34.13 31.59 2k7j s GLU 84 CO -0.14 -2.98 0.07 0.15 -1.33 0.00 0.00 175.26 171.04 2k7j s LYS 85 N -4.68 -0.04 -0.44 -4.83 -0.14 -0.62 -4.93 119.74 104.05 2k7j s LYS 85 Ca 0.66 0.35 -0.28 0.00 -1.36 0.00 0.00 55.97 55.34 2k7j s LYS 85 Cb -0.22 -0.38 0.03 0.00 -1.68 0.00 0.00 37.83 35.58 2k7j s LYS 85 CO 0.60 -0.27 1.09 0.08 -0.76 0.00 0.00 175.35 176.10 2k7j s VAL 86 N 1.80 4.31 0.36 3.17 1.01 -1.26 -0.38 120.40 129.41 2k7j s VAL 86 Ca -0.00 1.27 0.09 0.00 0.00 0.00 0.00 61.98 63.33 2k7j s VAL 86 Cb -0.12 -4.54 -0.06 0.00 0.00 0.00 0.00 36.38 31.66 2k7j s VAL 86 CO -0.04 -0.87 -0.03 0.27 0.00 0.00 0.00 175.10 174.44 2k7j s ILE 87 N 4.18 2.33 -0.10 2.22 -4.36 -0.80 -5.00 121.20 119.67 2k7j s ILE 87 Ca 0.46 -2.07 0.14 0.00 -0.26 0.00 0.00 60.65 58.92 2k7j s ILE 87 Cb -0.09 -2.77 -0.24 0.00 1.25 0.00 0.00 42.46 40.62 2k7j s ILE 87 CO 0.27 -0.16 0.45 0.18 0.24 0.00 0.00 174.94 175.93 2k7j n LEU 88 N -0.90 0.63 -3.87 0.37 4.32 -1.26 -4.35 117.00 111.93 2k7j n LEU 88 Ca -0.05 0.27 -0.12 0.00 -0.02 0.00 0.00 56.01 56.10 2k7j n LEU 88 Cb 0.64 0.25 -0.12 0.00 -1.62 0.00 0.00 43.42 42.56 2k7j n LEU 88 CO 0.44 0.44 -0.28 -0.54 -1.22 0.00 0.00 177.39 176.23 2k7j s LYS 89 N -2.56 0.17 -0.06 3.23 1.02 -1.26 -4.96 119.74 115.33 2k7j s LYS 89 Ca -0.07 -0.08 -0.30 0.00 0.02 0.00 0.00 55.97 55.55 2k7j s LYS 89 Cb 0.07 0.07 -0.02 0.00 -0.52 0.00 0.00 37.83 37.44 2k7j s LYS 89 CO 0.82 -0.03 1.04 -0.51 -0.92 0.00 0.00 175.35 175.75 2k7j s LEU 90 N -0.39 4.29 0.54 3.17 1.43 -1.26 -4.92 118.68 121.54 2k7j s LEU 90 Ca -0.04 1.63 0.22 0.00 -1.03 0.00 0.00 54.13 54.91 2k7j s LEU 90 Cb -0.03 -3.56 1.41 0.00 0.03 0.00 0.00 46.19 44.04 2k7j s LEU 90 CO 0.00 -0.42 2.09 -0.78 0.23 0.00 0.00 176.35 177.47 2k7j h ASP 91 N 7.06 0.00 -2.32 2.29 1.82 -2.00 -3.42 116.42 119.85 2k7j h ASP 91 Ca -0.34 0.00 -0.51 0.00 -0.39 0.00 0.00 57.03 55.78 2k7j h ASP 91 Cb 1.17 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.14 2k7j h ASP 91 CO 0.83 0.00 -0.52 -0.31 -1.61 0.00 0.00 179.24 177.63 2k7j s TYR 92 N -4.95 3.19 -0.11 0.28 1.51 -1.26 -5.04 117.35 110.97 2k7j s TYR 92 Ca -0.05 -0.06 0.11 0.00 -1.01 0.00 0.00 57.07 56.06 2k7j s TYR 92 Cb 0.18 -1.46 -0.16 0.00 -0.11 0.00 0.00 41.96 40.40 2k7j s TYR 92 CO 0.67 0.51 0.07 0.43 -1.11 0.00 0.00 175.55 176.11 2k7j n SER 93 N -1.01 1.96 -3.81 2.29 7.64 -1.26 -4.98 113.62 114.47 2k7j n SER 93 Ca -0.08 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.70 2k7j n SER 93 Cb 0.57 0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 64.58 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 -4.42 0.01 0.22 6.43 1.47 -1.26 -4.95 116.67 114.17 2k7j s ASP 94 Ca -0.06 -0.46 -0.30 0.00 1.18 0.00 0.00 52.55 52.91 2k7j s ASP 94 Cb 0.04 0.35 -0.08 0.00 -0.34 0.00 0.00 42.92 42.89 2k7j s ASP 94 CO 0.51 -0.69 1.03 0.12 0.68 0.00 0.00 175.17 176.82 2k7j s PHE 95 N -3.34 3.76 0.06 2.11 2.19 -1.26 -4.36 117.98 117.14 2k7j s PHE 95 Ca 0.01 1.76 -0.10 0.00 0.33 0.00 0.00 56.93 58.94 2k7j s PHE 95 Cb 0.02 -3.15 0.00 0.00 -1.31 0.00 0.00 43.02 38.59 2k7j s PHE 95 CO -0.08 -0.12 0.21 -1.14 1.83 0.00 0.00 175.22 175.92 2k7j s GLN 96 N -0.91 0.77 -0.06 10.12 2.00 -1.24 -4.97 119.66 125.37 2k7j s GLN 96 Ca 0.45 -0.74 -0.06 0.00 -2.00 0.00 0.00 55.36 53.02 2k7j s GLN 96 Cb -0.28 0.32 -0.04 0.00 0.80 0.00 0.00 33.01 33.80 2k7j s GLN 96 CO 0.35 -0.23 0.18 0.42 -0.50 0.00 0.00 175.29 175.50 2k7j s ILE 97 N -3.05 5.45 -0.06 -2.34 1.01 -1.26 -3.74 121.20 117.20 2k7j s ILE 97 Ca -0.01 0.08 -0.18 0.00 0.00 0.00 0.00 60.65 60.54 2k7j s ILE 97 Cb 0.01 -3.48 -0.05 0.00 0.01 0.00 0.00 42.46 38.95 2k7j s ILE 97 CO -0.07 0.48 0.48 -0.69 0.00 0.00 0.00 174.94 175.15 2k7j s VAL 98 N -1.17 5.08 -2.26 2.92 1.01 -0.89 -4.92 120.40 120.17 2k7j s VAL 98 Ca 0.21 0.98 0.30 0.00 0.00 0.00 0.00 61.98 63.47 2k7j s VAL 98 Cb -0.12 -3.81 0.72 0.00 0.00 0.00 0.00 36.38 33.17 2k7j s VAL 98 CO 0.11 0.41 1.98 1.17 0.00 0.00 0.00 175.10 178.77