#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 2.72 0.04 4.61 0.00 -1.26 -5.06 121.76 122.80 2k7j s ALA 2 Ca 0.00 -1.22 -0.03 0.00 0.00 0.00 0.00 51.96 50.70 2k7j s ALA 2 Cb 0.00 -2.60 -0.01 0.00 0.00 0.00 0.00 23.12 20.51 2k7j s ALA 2 CO 0.00 -2.00 -0.06 0.39 0.00 0.00 0.00 175.76 174.09 2k7j n GLU 3 N -3.41 0.10 0.00 0.00 1.02 -1.26 -5.09 120.64 111.99 2k7j n GLU 3 Ca 0.13 0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.31 2k7j n GLU 3 Cb 0.60 -0.62 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 2k7j n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7j n GLY 4 N 3.09 2.81 3.34 0.62 0.00 -1.26 -5.08 105.19 108.71 2k7j n GLY 4 Ca -0.03 -0.38 0.02 0.00 0.00 0.00 0.00 46.02 45.63 2k7j n GLY 4 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2k7j s ASN 5 N 0.00 -0.55 -0.29 1.61 2.47 -1.26 -5.14 114.94 111.79 2k7j s ASN 5 Ca 0.00 0.68 0.03 0.00 0.42 0.00 0.00 52.86 53.99 2k7j s ASN 5 Cb 0.00 1.59 0.07 0.00 -1.45 0.00 0.00 41.25 41.47 2k7j s ASN 5 CO 0.00 -0.10 -0.05 -0.89 -3.72 0.00 0.00 177.10 172.33 2k7j s THR 6 N 2.50 2.19 -0.00 -5.21 2.01 -1.26 -5.08 115.64 110.79 2k7j s THR 6 Ca -0.01 -1.89 -0.09 0.00 0.31 0.00 0.00 61.69 60.00 2k7j s THR 6 Cb -0.06 -2.42 -0.05 0.00 0.01 0.00 0.00 72.50 69.98 2k7j s THR 6 CO -0.17 -0.24 0.31 -0.76 -0.69 0.00 0.00 174.62 173.07 2k7j s LEU 7 N 1.04 4.40 0.00 4.42 1.43 -1.25 -0.23 118.68 128.48 2k7j s LEU 7 Ca -0.02 0.70 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2k7j s LEU 7 Cb -0.20 -2.61 -0.01 0.00 0.03 0.00 0.00 46.19 43.41 2k7j s LEU 7 CO -0.06 0.28 0.25 2.30 0.23 0.00 0.00 176.35 179.35 2k7j n ILE 8 N 1.41 0.00 -3.15 -0.59 -5.35 0.83 -1.28 119.36 111.23 2k7j n ILE 8 Ca -0.13 -1.40 0.04 0.00 -0.27 0.00 0.00 62.75 61.00 2k7j n ILE 8 Cb 0.53 0.76 -0.01 0.00 -1.74 0.00 0.00 39.64 39.18 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 -2.48 -1.40 -0.07 7.28 1.04 0.64 -0.72 113.70 117.99 2k7j s SER 9 Ca 0.23 0.67 0.05 0.00 0.48 0.00 0.00 55.95 57.38 2k7j s SER 9 Cb 0.00 2.09 -0.01 0.00 0.10 0.00 0.00 66.02 68.20 2k7j s SER 9 CO 0.16 -0.26 -0.23 0.54 0.98 0.00 0.00 173.24 174.44 2k7j s VAL 10 N 2.86 2.27 -0.06 5.02 0.11 -0.93 -0.12 120.40 129.55 2k7j s VAL 10 Ca 0.17 -0.98 0.05 0.00 -2.93 0.00 0.00 61.98 58.29 2k7j s VAL 10 Cb -0.13 -1.85 -0.00 0.00 -1.53 0.00 0.00 36.38 32.86 2k7j s VAL 10 CO -0.22 0.57 -0.21 1.51 -3.33 0.00 0.00 175.10 173.42 2k7j s ASP 11 N -0.12 2.63 0.28 3.54 -4.77 -1.26 -0.11 116.67 116.86 2k7j s ASP 11 Ca -0.04 -0.45 -0.16 0.00 -3.30 0.00 0.00 52.55 48.60 2k7j s ASP 11 Cb -0.14 -0.89 0.01 0.00 -1.09 0.00 0.00 42.92 40.81 2k7j s ASP 11 CO 0.04 0.17 0.61 -0.72 0.70 0.00 0.00 175.17 175.98 2k7j s TYR 12 N 0.11 0.13 -0.65 2.11 -0.85 -0.89 -3.57 117.35 113.74 2k7j s TYR 12 Ca -0.08 -0.56 0.00 0.00 -0.52 0.00 0.00 57.07 55.91 2k7j s TYR 12 Cb -0.14 0.46 0.16 0.00 0.38 0.00 0.00 41.96 42.82 2k7j s TYR 12 CO 0.04 -1.16 0.45 -1.83 -1.52 0.00 0.00 175.55 171.53 2k7j s GLU 13 N -3.78 2.50 0.41 -3.49 1.03 -1.26 -2.76 118.70 111.36 2k7j s GLU 13 Ca 0.17 -2.77 -0.24 0.00 0.03 0.00 0.00 54.97 52.16 2k7j s GLU 13 Cb -0.03 -3.62 -0.11 0.00 -0.80 0.00 0.00 34.13 29.57 2k7j s GLU 13 CO 0.09 -1.18 0.94 -0.89 -1.33 0.00 0.00 175.26 172.88 2k7j n ILE 14 N 3.03 2.34 -2.98 1.83 2.08 -1.05 -4.67 119.36 119.94 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 0.36 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.21 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 -0.52 -3.01 0.00 1.39 3.72 -1.17 -2.02 117.46 115.86 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 4.99 0.79 2.45 1.37 0.00 -1.26 -4.39 105.19 109.14 2k7j n GLY 16 Ca 0.00 -2.22 -0.40 0.00 0.00 0.00 0.00 46.02 43.40 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 -0.46 3.81 -1.10 1.61 2.85 -0.69 -4.58 118.16 119.60 2k7j n LYS 17 Ca 0.00 -2.67 -0.13 0.00 -1.05 0.00 0.00 58.31 54.45 2k7j n LYS 17 Cb 0.00 -2.84 0.25 0.00 -0.65 0.00 0.00 35.03 31.79 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 3.31 3.01 0.00 0.58 0.24 -1.26 -4.27 118.33 119.94 2k7j n VAL 18 Ca 0.68 -1.71 0.00 0.00 -2.04 0.00 0.00 64.34 61.27 2k7j n VAL 18 Cb 0.27 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.22 2k7j n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7j n GLN 19 N -0.54 0.00 -1.44 7.34 6.02 -1.26 -4.33 117.38 123.17 2k7j n GLN 19 Ca 0.48 0.28 -0.25 0.00 -0.01 0.00 0.00 57.00 57.50 2k7j n GLN 19 Cb 1.50 -0.79 -0.07 0.00 1.02 0.00 0.00 30.24 31.89 2k7j n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7j n GLY 20 N 2.13 4.16 3.02 1.08 0.00 -1.26 -4.85 105.19 109.47 2k7j n GLY 20 Ca 0.00 -1.77 -0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.48 -0.02 -1.24 1.61 1.01 -1.26 -5.05 120.40 113.97 2k7j s VAL 21 Ca 0.60 0.06 -0.09 0.00 0.00 0.00 0.00 61.98 62.56 2k7j s VAL 21 Cb 0.35 -0.27 -0.11 0.00 0.00 0.00 0.00 36.38 36.36 2k7j s VAL 21 CO -0.17 0.03 3.05 0.49 0.00 0.00 0.00 175.10 178.50 2k7j n PHE 22 N 3.46 1.92 0.12 5.22 3.72 -1.26 -4.51 117.46 126.12 2k7j n PHE 22 Ca -0.18 -2.72 -0.02 0.00 -0.05 0.00 0.00 57.45 54.48 2k7j n PHE 22 Cb 0.56 -2.23 0.15 0.00 -0.94 0.00 0.00 39.48 37.02 2k7j n PHE 22 CO 0.00 0.00 0.00 0.35 -0.05 0.00 0.00 176.76 177.06 2k7j h PHE 23 N 4.51 0.07 -0.74 1.38 3.57 -1.95 -3.18 116.94 120.60 2k7j h PHE 23 Ca 0.71 -0.03 0.11 0.00 3.53 0.00 0.00 57.97 62.29 2k7j h PHE 23 Cb 0.55 -0.01 -0.08 0.00 2.79 0.00 0.00 35.95 39.20 2k7j h PHE 23 CO 1.84 0.66 0.36 -0.09 -2.23 0.00 0.00 178.31 178.85 2k7j h ARG 24 N 0.04 0.57 -0.19 1.11 2.43 -1.96 0.49 114.38 116.87 2k7j h ARG 24 Ca -0.01 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.12 2k7j h ARG 24 Cb 1.11 -0.13 -0.01 0.00 -0.42 0.00 0.00 29.97 30.52 2k7j h ARG 24 CO 0.08 0.38 0.06 -0.22 -1.51 0.00 0.00 179.97 178.77 2k7j h LYS 25 N 0.59 0.26 -0.85 0.20 3.64 -1.93 -1.11 116.57 117.37 2k7j h LYS 25 Ca 0.37 -0.03 -0.27 0.00 -1.27 0.00 0.00 60.65 59.45 2k7j h LYS 25 Cb 0.43 -0.05 -0.16 0.00 -0.41 0.00 0.00 32.23 32.04 2k7j h LYS 25 CO -0.30 0.23 0.35 0.72 -2.27 0.00 0.00 179.45 178.18 2k7j n HIS 26 N -4.44 2.40 -0.01 1.91 8.25 0.10 -4.06 115.22 119.37 2k7j n HIS 26 Ca -0.00 -1.28 -0.00 0.00 -0.26 0.00 0.00 57.72 56.18 2k7j n HIS 26 Cb 0.13 -0.71 -0.02 0.00 1.12 0.00 0.00 29.99 30.50 2k7j n HIS 26 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2k7j n THR 27 N -0.34 0.11 0.02 1.59 -1.04 -0.42 -4.55 114.28 109.64 2k7j n THR 27 Ca 0.42 -0.10 -0.13 0.00 -2.04 0.00 0.00 64.05 62.20 2k7j n THR 27 Cb 1.37 -0.29 -0.14 0.00 -1.82 0.00 0.00 70.33 69.45 2k7j n THR 27 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 2k7j h GLN 28 N 0.00 0.12 -0.07 -2.82 3.07 -1.69 -3.32 115.11 110.40 2k7j h GLN 28 Ca -0.04 -0.20 -0.00 0.00 0.09 0.00 0.00 58.65 58.49 2k7j h GLN 28 Cb 0.70 0.08 -0.00 0.00 0.08 0.00 0.00 27.48 28.33 2k7j h GLN 28 CO 0.00 0.87 0.03 0.00 0.09 0.00 0.00 178.83 179.82 2k7j h ALA 29 N 0.71 0.09 -0.90 0.06 0.00 -1.84 -2.93 119.26 114.45 2k7j h ALA 29 Ca -0.25 -0.10 0.10 0.00 0.00 0.00 0.00 54.91 54.67 2k7j h ALA 29 Cb 1.98 -0.03 -0.08 0.00 0.00 0.00 0.00 17.79 19.67 2k7j h ALA 29 CO 0.12 -0.32 0.54 1.05 0.00 0.00 0.00 179.25 180.64 2k7j h GLU 30 N -0.06 0.86 0.00 0.00 4.11 -1.80 0.97 114.58 118.66 2k7j h GLU 30 Ca 0.02 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.40 2k7j h GLU 30 Cb 0.18 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.23 2k7j h GLU 30 CO -0.00 0.57 0.01 0.78 0.07 0.00 0.00 179.01 180.44 2k7j h GLY 31 N 0.89 0.00 0.65 1.06 0.00 -1.61 -2.14 103.07 101.92 2k7j h GLY 31 Ca 0.44 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 47.52 2k7j h GLY 31 CO -0.25 0.00 -1.20 0.50 0.00 0.00 0.00 176.54 175.59 2k7j h LYS 32 N 0.00 0.28 0.31 4.80 1.57 -0.76 0.11 116.57 122.89 2k7j h LYS 32 Ca 0.00 -0.49 -0.00 0.00 -1.87 0.00 0.00 60.65 58.29 2k7j h LYS 32 Cb 0.03 0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.49 2k7j h LYS 32 CO 0.00 1.23 -0.49 -0.22 -0.57 0.00 0.00 179.45 179.40 2k7j h LYS 33 N -0.30 -0.82 -0.13 3.15 3.11 -1.15 -3.01 116.57 117.44 2k7j h LYS 33 Ca -0.24 0.06 -0.01 0.00 -2.81 0.00 0.00 60.65 57.64 2k7j h LYS 33 Cb 1.75 0.19 -0.01 0.00 -1.00 0.00 0.00 32.23 33.16 2k7j h LYS 33 CO 0.11 -0.54 0.04 -0.07 -2.81 0.00 0.00 179.45 176.17 2k7j h LEU 34 N -0.85 0.19 0.00 5.20 3.38 -1.71 -3.47 115.31 118.05 2k7j h LEU 34 Ca -0.04 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.72 2k7j h LEU 34 Cb 0.78 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2k7j h LEU 34 CO -0.16 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.33 2k7j n GLY 35 N -0.56 1.92 3.91 0.83 0.00 -0.98 -4.97 105.19 105.34 2k7j n GLY 35 Ca -0.05 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.69 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 3.88 0.36 0.99 1.43 0.36 -4.86 118.68 120.83 2k7j s LEU 36 Ca 0.00 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 53.95 2k7j s LEU 36 Cb 0.00 -3.69 -0.05 0.00 0.03 0.00 0.00 46.19 42.47 2k7j s LEU 36 CO 0.00 -0.36 0.07 0.68 0.23 0.00 0.00 176.35 176.96 2k7j s VAL 37 N -2.37 1.11 0.00 -1.59 -7.23 -0.78 -3.54 120.40 106.00 2k7j s VAL 37 Ca 0.46 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.63 2k7j s VAL 37 Cb -0.10 -2.68 0.00 0.00 0.56 0.00 0.00 36.38 34.15 2k7j s VAL 37 CO 0.35 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.75 2k7j n GLY 38 N -0.78 -0.01 3.63 2.32 0.00 -1.26 -1.55 105.19 107.55 2k7j n GLY 38 Ca -0.04 -0.76 -0.05 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.84 -0.19 0.03 1.61 -2.14 -1.26 -3.84 118.94 110.31 2k7j s TRP 39 Ca 0.00 0.40 0.03 0.00 2.66 0.00 0.00 56.10 59.19 2k7j s TRP 39 Cb 0.00 0.46 -0.02 0.00 -3.10 0.00 0.00 33.47 30.81 2k7j s TRP 39 CO 0.00 -0.14 -0.08 0.54 -2.66 0.00 0.00 176.95 174.61 2k7j s VAL 40 N -0.52 0.63 -0.23 -0.66 0.11 -1.25 -2.82 120.40 115.66 2k7j s VAL 40 Ca 0.05 -0.84 -0.03 0.00 -2.93 0.00 0.00 61.98 58.22 2k7j s VAL 40 Cb -0.03 -0.63 0.10 0.00 -1.53 0.00 0.00 36.38 34.30 2k7j s VAL 40 CO -0.08 -0.18 0.22 -1.58 -3.33 0.00 0.00 175.10 170.15 2k7j s GLN 41 N -1.12 0.21 0.85 1.54 0.74 0.84 -2.69 119.66 120.03 2k7j s GLN 41 Ca -0.04 0.03 -0.14 0.00 0.05 0.00 0.00 55.36 55.26 2k7j s GLN 41 Cb -0.07 -1.15 0.01 0.00 1.10 0.00 0.00 33.01 32.90 2k7j s GLN 41 CO 0.00 -0.77 0.52 -1.71 -0.55 0.00 0.00 175.29 172.78 2k7j n ASN 42 N 5.31 -1.47 -4.77 6.67 2.85 -1.26 -3.10 115.26 119.49 2k7j n ASN 42 Ca -0.05 0.45 -0.31 0.00 -0.11 0.00 0.00 54.58 54.56 2k7j n ASN 42 Cb 0.48 -1.24 -0.07 0.00 1.24 0.00 0.00 39.78 40.19 2k7j n ASN 42 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 2k7j s THR 43 N -2.18 1.34 -0.13 -0.44 -4.23 -0.93 -4.84 115.64 104.24 2k7j s THR 43 Ca 0.62 -1.92 0.14 0.00 -1.18 0.00 0.00 61.69 59.35 2k7j s THR 43 Cb -0.27 -2.27 -0.24 0.00 1.34 0.00 0.00 72.50 71.06 2k7j s THR 43 CO 0.62 0.00 0.34 -0.67 -0.54 0.00 0.00 174.62 174.37 2k7j n ASP 44 N -1.30 0.51 -0.29 3.99 2.03 -1.26 -4.30 116.55 115.94 2k7j n ASP 44 Ca -0.15 0.19 -0.05 0.00 0.52 0.00 0.00 54.79 55.31 2k7j n ASP 44 Cb 0.67 0.43 0.07 0.00 -0.72 0.00 0.00 41.12 41.56 2k7j n ASP 44 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2k7j h ARG 45 N 0.00 1.06 0.00 -0.67 2.43 -2.02 -3.46 114.38 111.72 2k7j h ARG 45 Ca -0.43 -0.09 0.00 0.00 -0.81 0.00 0.00 59.98 58.65 2k7j h ARG 45 Cb 2.13 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 31.45 2k7j h ARG 45 CO 0.05 0.74 0.00 0.41 -1.51 0.00 0.00 179.97 179.66 2k7j n GLY 46 N -1.22 0.52 3.42 2.80 0.00 -1.26 -5.05 105.19 104.40 2k7j n GLY 46 Ca 0.08 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.00 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 -0.07 0.05 -0.41 2.61 -4.23 -1.26 -4.54 115.64 107.78 2k7j s THR 47 Ca 0.00 -1.06 -0.08 0.00 -1.18 0.00 0.00 61.69 59.36 2k7j s THR 47 Cb 0.00 -1.67 0.08 0.00 1.34 0.00 0.00 72.50 72.25 2k7j s THR 47 CO 0.00 -0.23 0.24 -0.69 -0.54 0.00 0.00 174.62 173.41 2k7j s VAL 48 N -3.91 4.08 -0.64 2.29 1.01 -0.86 -2.19 120.40 120.19 2k7j s VAL 48 Ca 0.12 -1.47 -0.25 0.00 0.00 0.00 0.00 61.98 60.38 2k7j s VAL 48 Cb 0.01 -3.52 0.05 0.00 0.00 0.00 0.00 36.38 32.92 2k7j s VAL 48 CO -0.02 -0.51 1.06 -1.10 0.00 0.00 0.00 175.10 174.52 2k7j s GLN 49 N 1.39 3.24 0.23 2.72 -0.21 -1.18 -2.52 119.66 123.34 2k7j s GLN 49 Ca 0.03 -0.39 -0.22 0.00 0.02 0.00 0.00 55.36 54.81 2k7j s GLN 49 Cb -0.23 -4.14 0.04 0.00 1.00 0.00 0.00 33.01 29.68 2k7j s GLN 49 CO 0.01 -1.78 0.67 0.20 -2.12 0.00 0.00 175.29 172.28 2k7j s GLY 50 N 3.35 -0.29 0.28 3.09 0.00 -1.11 -0.11 107.32 112.53 2k7j s GLY 50 Ca 0.30 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2k7j s GLY 50 CO 0.16 0.00 0.08 0.58 0.00 0.00 0.00 173.10 173.92 2k7j n LYS 51 N -0.43 0.80 -3.37 2.90 2.85 -1.13 -2.08 118.16 117.70 2k7j n LYS 51 Ca -0.09 -2.31 -0.13 0.00 -1.05 0.00 0.00 58.31 54.74 2k7j n LYS 51 Cb 0.61 1.12 -0.09 0.00 -0.65 0.00 0.00 35.03 36.03 2k7j n LYS 51 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k7j s LEU 52 N 0.00 -0.49 -0.13 -5.58 1.43 0.84 -4.39 118.68 110.37 2k7j s LEU 52 Ca 0.11 -0.27 -0.02 0.00 -1.03 0.00 0.00 54.13 52.92 2k7j s LEU 52 Cb 0.01 0.84 -0.02 0.00 0.03 0.00 0.00 46.19 47.04 2k7j s LEU 52 CO 0.08 -0.34 -0.07 0.00 0.23 0.00 0.00 176.35 176.24 2k7j s GLN 53 N 2.46 3.43 0.00 1.70 -2.07 -0.59 -2.18 119.66 122.41 2k7j s GLN 53 Ca 0.10 -0.58 0.00 0.00 -1.82 0.00 0.00 55.36 53.06 2k7j s GLN 53 Cb -0.14 -2.77 0.00 0.00 -1.09 0.00 0.00 33.01 29.01 2k7j s GLN 53 CO -0.24 0.30 0.00 0.41 -1.32 0.00 0.00 175.29 174.44 2k7j n GLY 54 N 3.32 -0.73 3.70 2.60 0.00 0.10 -1.87 105.19 112.31 2k7j n GLY 54 Ca -0.18 -1.23 -0.42 0.00 0.00 0.00 0.00 46.02 44.19 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 -2.00 4.30 0.55 1.61 0.04 -1.26 -0.12 135.00 138.12 2k7j s PRO 55 Ca 0.00 2.03 0.29 0.00 0.04 0.00 0.00 61.00 63.36 2k7j s PRO 55 Cb 0.00 -3.43 1.46 0.00 0.04 0.00 0.00 34.50 32.57 2k7j s PRO 55 CO 0.00 -0.51 1.92 0.82 0.04 0.00 0.00 177.00 179.26 2k7j h ILE 56 N 4.62 0.57 -0.49 0.56 2.04 -0.96 0.17 117.51 124.01 2k7j h ILE 56 Ca -0.40 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.60 2k7j h ILE 56 Cb 1.19 0.61 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2k7j h ILE 56 CO 0.88 0.00 0.42 0.28 0.00 0.00 0.00 178.15 179.73 2k7j h SER 57 N 0.00 0.00 0.00 1.72 0.02 -1.90 -0.66 113.55 112.73 2k7j h SER 57 Ca 0.34 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 61.02 2k7j h SER 57 Cb 1.43 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.92 2k7j h SER 57 CO -0.00 0.00 -2.03 0.29 -1.14 0.00 0.00 176.83 173.95 2k7j n LYS 58 N -4.05 0.44 0.05 3.45 4.01 0.49 -4.48 118.16 118.07 2k7j n LYS 58 Ca 0.09 0.11 0.20 0.00 -0.51 0.00 0.00 58.31 58.21 2k7j n LYS 58 Cb 0.63 -1.33 0.73 0.00 -0.51 0.00 0.00 35.03 34.54 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 -0.10 0.58 0.00 -0.18 2.07 -0.97 0.27 116.25 117.92 2k7j h VAL 59 Ca -0.41 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.08 2k7j h VAL 59 Cb 1.59 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 2k7j h VAL 59 CO -0.10 0.00 -0.11 0.03 0.02 0.00 0.00 177.57 177.41 2k7j h ARG 60 N 0.00 0.00 0.02 1.57 2.47 -1.35 -1.49 114.38 115.60 2k7j h ARG 60 Ca 0.22 0.00 -0.37 0.00 -1.26 0.00 0.00 59.98 58.57 2k7j h ARG 60 Cb 0.97 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.24 2k7j h ARG 60 CO -0.00 0.11 -2.28 0.39 0.56 0.00 0.00 179.97 178.75 2k7j n GLU 61 N -3.83 0.68 0.14 0.04 -0.58 0.84 -3.85 120.64 114.08 2k7j n GLU 61 Ca -0.02 0.14 0.12 0.00 -0.42 0.00 0.00 57.16 56.98 2k7j n GLU 61 Cb 0.21 -1.58 0.52 0.00 -0.57 0.00 0.00 31.44 30.01 2k7j n GLU 61 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 2k7j n MET 62 N -3.12 0.20 0.02 3.49 1.56 -0.52 -0.97 117.12 117.78 2k7j n MET 62 Ca -0.36 0.46 -0.21 0.00 -0.27 0.00 0.00 57.70 57.31 2k7j n MET 62 Cb 1.06 -1.90 -0.14 0.00 2.15 0.00 0.00 33.22 34.38 2k7j n MET 62 CO 0.00 0.00 0.00 -0.56 -0.73 0.00 0.00 175.97 174.68 2k7j h GLN 63 N 0.00 0.29 0.00 2.12 3.07 -1.44 -3.27 115.11 115.88 2k7j h GLN 63 Ca 0.00 -0.49 -0.09 0.00 0.09 0.00 0.00 58.65 58.15 2k7j h GLN 63 Cb 0.32 0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2k7j h GLN 63 CO 0.00 1.22 -0.45 -0.22 0.09 0.00 0.00 178.83 179.48 2k7j h LYS 64 N 0.08 0.00 0.00 0.06 3.11 -1.61 -2.94 116.57 115.26 2k7j h LYS 64 Ca -0.40 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.44 2k7j h LYS 64 Cb 2.05 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 33.28 2k7j h LYS 64 CO 0.11 0.45 0.00 -1.49 -2.81 0.00 0.00 179.45 175.71 2k7j h TRP 65 N 0.00 0.00 -0.27 1.91 4.06 -1.21 -3.14 115.95 117.30 2k7j h TRP 65 Ca -0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2k7j h TRP 65 Cb 1.31 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.47 2k7j h TRP 65 CO 0.00 0.00 0.00 1.28 -3.56 0.00 0.00 178.44 176.16 2k7j n LEU 66 N -2.49 3.10 -0.11 -4.49 4.77 -1.19 -0.17 117.00 116.43 2k7j n LEU 66 Ca 0.05 -2.36 -0.15 0.00 -0.03 0.00 0.00 56.01 53.52 2k7j n LEU 66 Cb 0.45 -0.31 -0.11 0.00 -2.33 0.00 0.00 43.42 41.12 2k7j n LEU 66 CO 0.31 0.69 -1.23 1.21 -1.33 0.00 0.00 177.39 177.04 2k7j n GLU 67 N 0.02 0.60 0.00 3.23 2.13 -1.12 -4.85 120.64 120.65 2k7j n GLU 67 Ca 0.14 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.08 2k7j n GLU 67 Cb 0.56 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.82 2k7j n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2k7j n THR 68 N -3.13 0.00 0.00 6.31 5.66 -1.24 -4.50 114.28 117.38 2k7j n THR 68 Ca -0.39 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.61 2k7j n THR 68 Cb 0.94 -0.13 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 2k7j n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k7j n ARG 69 N -1.73 0.00 0.00 1.09 5.12 -1.25 -4.47 116.66 115.41 2k7j n ARG 69 Ca 0.00 0.41 0.00 0.00 -1.93 0.00 0.00 57.85 56.33 2k7j n ARG 69 Cb 0.07 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.11 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 -0.83 0.79 3.94 -0.13 0.00 0.76 -4.76 105.19 104.95 2k7j n GLY 70 Ca 0.00 -0.84 -0.24 0.00 0.00 0.00 0.00 46.02 44.94 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 -4.00 6.13 0.29 1.61 0.01 -1.26 -4.98 113.70 111.49 2k7j s SER 71 Ca 0.00 0.50 0.25 0.00 1.31 0.00 0.00 55.95 58.01 2k7j s SER 71 Cb 0.00 -1.91 1.03 0.00 0.21 0.00 0.00 66.02 65.34 2k7j s SER 71 CO 0.00 -0.49 1.74 1.55 0.41 0.00 0.00 173.24 176.44 2k7j h PRO 72 N 0.52 0.00 0.00 12.44 0.13 -2.00 -3.19 132.00 139.89 2k7j h PRO 72 Ca -0.48 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.52 2k7j h PRO 72 Cb 1.23 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 2k7j h PRO 72 CO 0.60 0.00 -0.72 0.93 -0.23 0.00 0.00 178.00 178.58 2k7j h GLU 73 N 0.00 0.00 0.00 0.86 4.39 -1.97 -3.48 114.58 114.38 2k7j h GLU 73 Ca 0.00 0.00 -0.29 0.00 0.34 0.00 0.00 59.36 59.41 2k7j h GLU 73 Cb 0.37 0.00 0.08 0.00 -0.10 0.00 0.00 28.75 29.10 2k7j h GLU 73 CO 0.00 0.88 0.15 0.43 -1.16 0.00 0.00 179.01 179.30 2k7j n SER 74 N -4.52 0.57 -3.36 1.42 7.64 -1.21 -5.05 113.62 109.10 2k7j n SER 74 Ca -0.21 -1.57 0.01 0.00 1.01 0.00 0.00 58.87 58.10 2k7j n SER 74 Cb 0.55 -0.51 -0.03 0.00 -1.01 0.00 0.00 64.21 63.21 2k7j n SER 74 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2k7j s HIS 75 N -2.28 -1.42 -1.12 1.43 2.46 -1.26 -4.62 115.29 108.49 2k7j s HIS 75 Ca 0.45 1.84 -0.18 0.00 0.47 0.00 0.00 55.06 57.64 2k7j s HIS 75 Cb -0.02 0.59 0.11 0.00 -0.13 0.00 0.00 32.58 33.13 2k7j s HIS 75 CO 0.31 -0.77 1.44 0.42 -2.47 0.00 0.00 174.74 173.66 2k7j s ILE 76 N 2.83 4.48 0.59 0.89 1.09 -1.26 -1.70 121.20 128.12 2k7j s ILE 76 Ca 0.10 -1.79 0.29 0.00 -1.10 0.00 0.00 60.65 58.15 2k7j s ILE 76 Cb -0.14 -4.99 0.36 0.00 -1.06 0.00 0.00 42.46 36.64 2k7j s ILE 76 CO -0.19 -1.77 2.08 -0.78 -0.10 0.00 0.00 174.94 174.18 2k7j h ASP 77 N 8.25 0.00 -4.84 3.58 3.58 -1.85 -3.41 116.42 121.73 2k7j h ASP 77 Ca 0.29 0.00 0.03 0.00 0.42 0.00 0.00 57.03 57.76 2k7j h ASP 77 Cb 0.94 0.00 -0.14 0.00 1.72 0.00 0.00 39.33 41.85 2k7j h ASP 77 CO 1.31 0.00 0.32 -1.59 -2.88 0.00 0.00 179.24 176.40 2k7j s LYS 78 N -4.62 1.07 -0.04 0.28 -2.85 -1.26 -5.04 119.74 107.27 2k7j s LYS 78 Ca -0.05 -0.33 -0.31 0.00 -1.00 0.00 0.00 55.97 54.29 2k7j s LYS 78 Cb 0.15 0.49 0.07 0.00 -2.06 0.00 0.00 37.83 36.49 2k7j s LYS 78 CO 0.54 -0.46 0.69 0.00 0.10 0.00 0.00 175.35 176.22 2k7j s ALA 79 N -3.23 -1.77 0.10 0.59 0.00 -1.26 -3.02 121.76 113.17 2k7j s ALA 79 Ca 0.01 1.29 -0.11 0.00 0.00 0.00 0.00 51.96 53.16 2k7j s ALA 79 Cb -0.01 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.14 2k7j s ALA 79 CO -0.09 -0.38 0.26 1.21 0.00 0.00 0.00 175.76 176.75 2k7j s ASN 80 N -1.25 -0.00 0.11 0.00 2.47 -1.26 -5.04 114.94 109.97 2k7j s ASN 80 Ca -0.10 -0.53 0.07 0.00 0.42 0.00 0.00 52.86 52.71 2k7j s ASN 80 Cb -0.00 0.38 -0.04 0.00 -1.45 0.00 0.00 41.25 40.14 2k7j s ASN 80 CO 0.09 -0.77 -0.08 0.72 -3.72 0.00 0.00 177.10 173.34 2k7j s PHE 81 N -3.83 2.78 0.00 0.43 -0.71 -1.26 -4.49 117.98 110.90 2k7j s PHE 81 Ca 0.04 -0.14 0.00 0.00 -1.04 0.00 0.00 56.93 55.79 2k7j s PHE 81 Cb 0.04 -1.44 0.00 0.00 -1.21 0.00 0.00 43.02 40.41 2k7j s PHE 81 CO -0.11 0.44 0.00 1.63 -1.34 0.00 0.00 175.22 175.84 2k7j n LYS 82 N 0.60 0.00 -3.15 1.99 5.02 -1.23 -5.01 118.16 116.37 2k7j n LYS 82 Ca -0.13 0.23 0.05 0.00 -2.02 0.00 0.00 58.31 56.44 2k7j n LYS 82 Cb 0.53 -0.69 -0.01 0.00 -0.02 0.00 0.00 35.03 34.83 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 -2.23 -0.85 1.25 4.39 3.84 -1.26 -5.09 114.94 114.99 2k7j s ASN 83 Ca 0.00 0.43 -0.16 0.00 0.21 0.00 0.00 52.86 53.35 2k7j s ASN 83 Cb 0.00 1.67 0.30 0.00 -0.55 0.00 0.00 41.25 42.68 2k7j s ASN 83 CO 0.00 -0.16 0.89 -1.84 -2.79 0.00 0.00 177.10 173.20 2k7j n GLU 84 N 5.41 -3.02 -3.49 0.43 0.00 -1.26 -4.57 120.64 114.15 2k7j n GLU 84 Ca -0.02 -0.86 -0.17 0.00 0.00 0.00 0.00 57.16 56.10 2k7j n GLU 84 Cb 0.53 -2.06 -0.12 0.00 0.00 0.00 0.00 31.44 29.79 2k7j n GLU 84 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.13 177.28 2k7j s LYS 85 N -4.41 0.20 -0.36 3.44 -0.14 0.83 -4.89 119.74 114.41 2k7j s LYS 85 Ca 0.67 0.25 -0.28 0.00 -1.36 0.00 0.00 55.97 55.25 2k7j s LYS 85 Cb -0.22 -1.10 -0.01 0.00 -1.68 0.00 0.00 37.83 34.82 2k7j s LYS 85 CO 0.64 -0.64 1.68 0.08 -0.76 0.00 0.00 175.35 176.35 2k7j s VAL 86 N 2.35 3.60 0.33 3.17 1.01 -1.26 -0.26 120.40 129.34 2k7j s VAL 86 Ca 0.07 0.60 0.08 0.00 0.00 0.00 0.00 61.98 62.73 2k7j s VAL 86 Cb -0.16 -3.82 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 2k7j s VAL 86 CO -0.12 -0.53 0.19 0.27 0.00 0.00 0.00 175.10 174.91 2k7j s ILE 87 N 6.50 3.27 -0.08 2.22 -4.36 -0.41 -4.94 121.20 123.40 2k7j s ILE 87 Ca 0.74 -1.58 0.05 0.00 -0.26 0.00 0.00 60.65 59.60 2k7j s ILE 87 Cb -0.20 -3.06 -0.24 0.00 1.25 0.00 0.00 42.46 40.21 2k7j s ILE 87 CO 0.33 -0.19 0.50 -0.11 0.24 0.00 0.00 174.94 175.71 2k7j n LEU 88 N -1.22 1.58 -4.06 0.37 0.00 -1.26 -3.89 117.00 108.52 2k7j n LEU 88 Ca -0.03 0.31 -0.10 0.00 0.00 0.00 0.00 56.01 56.19 2k7j n LEU 88 Cb 0.60 -0.34 -0.07 0.00 0.00 0.00 0.00 43.42 43.61 2k7j n LEU 88 CO 0.43 0.59 0.04 -0.54 0.00 0.00 0.00 177.39 177.90 2k7j s LYS 89 N -2.58 1.42 0.41 1.96 1.02 -1.26 -4.85 119.74 115.86 2k7j s LYS 89 Ca -0.12 -1.36 0.08 0.00 0.02 0.00 0.00 55.97 54.58 2k7j s LYS 89 Cb 0.07 0.40 -0.00 0.00 -0.52 0.00 0.00 37.83 37.79 2k7j s LYS 89 CO 0.80 -0.55 0.50 -0.51 -0.92 0.00 0.00 175.35 174.66 2k7j s LEU 90 N -3.06 3.61 -0.01 3.17 1.02 -1.26 -5.04 118.68 117.11 2k7j s LEU 90 Ca 0.27 -0.49 0.10 0.00 0.02 0.00 0.00 54.13 54.02 2k7j s LEU 90 Cb 0.02 -2.48 -0.15 0.00 0.02 0.00 0.00 46.19 43.60 2k7j s LEU 90 CO 0.09 -0.69 0.22 -0.67 0.02 0.00 0.00 176.35 175.33 2k7j n ASP 91 N -1.73 2.70 -4.85 2.29 2.03 -1.26 -5.03 116.55 110.70 2k7j n ASP 91 Ca 0.06 -0.03 -0.21 0.00 0.52 0.00 0.00 54.79 55.12 2k7j n ASP 91 Cb 0.60 1.42 -0.04 0.00 -0.72 0.00 0.00 41.12 42.38 2k7j n ASP 91 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k7j s TYR 92 N -2.64 2.74 -0.06 -0.67 1.51 -1.26 -5.05 117.35 111.93 2k7j s TYR 92 Ca -0.03 -0.45 0.11 0.00 -1.01 0.00 0.00 57.07 55.69 2k7j s TYR 92 Cb 0.06 -2.04 -0.16 0.00 -0.11 0.00 0.00 41.96 39.71 2k7j s TYR 92 CO 0.40 -0.00 0.15 0.43 -1.11 0.00 0.00 175.55 175.42 2k7j n SER 93 N -1.46 2.28 -3.62 2.29 7.64 -1.26 -4.99 113.62 114.50 2k7j n SER 93 Ca 0.02 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.79 2k7j n SER 93 Cb 0.61 1.17 -0.03 0.00 -1.01 0.00 0.00 64.21 64.96 2k7j n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7j s ASP 94 N -3.85 -0.37 -0.06 6.43 -1.08 -1.26 -4.95 116.67 111.53 2k7j s ASP 94 Ca -0.05 -0.29 -0.30 0.00 -0.52 0.00 0.00 52.55 51.39 2k7j s ASP 94 Cb 0.06 0.59 -0.03 0.00 -1.46 0.00 0.00 42.92 42.07 2k7j s ASP 94 CO 0.47 -1.03 1.24 0.12 0.52 0.00 0.00 175.17 176.50 2k7j s PHE 95 N -3.82 3.10 0.24 -5.34 2.19 -1.23 -4.34 117.98 108.77 2k7j s PHE 95 Ca 0.05 1.13 0.08 0.00 0.33 0.00 0.00 56.93 58.53 2k7j s PHE 95 Cb -0.01 -3.47 -0.05 0.00 -1.31 0.00 0.00 43.02 38.18 2k7j s PHE 95 CO -0.07 -1.53 -0.13 -1.14 1.83 0.00 0.00 175.22 174.18 2k7j s GLN 96 N 2.39 1.45 -0.04 10.12 2.00 -1.25 -4.84 119.66 129.49 2k7j s GLN 96 Ca 0.57 -1.68 -0.03 0.00 -2.00 0.00 0.00 55.36 52.23 2k7j s GLN 96 Cb -0.25 -1.25 -0.04 0.00 0.80 0.00 0.00 33.01 32.27 2k7j s GLN 96 CO 0.22 0.17 0.12 0.42 -0.50 0.00 0.00 175.29 175.72 2k7j s ILE 97 N -2.90 5.11 -0.02 -2.34 1.01 -1.26 -3.88 121.20 116.92 2k7j s ILE 97 Ca 0.26 -0.18 -0.13 0.00 0.00 0.00 0.00 60.65 60.60 2k7j s ILE 97 Cb -0.00 -3.32 -0.05 0.00 0.01 0.00 0.00 42.46 39.10 2k7j s ILE 97 CO 0.10 0.42 0.36 -0.69 0.00 0.00 0.00 174.94 175.13 2k7j s VAL 98 N -1.18 5.11 0.00 2.92 1.01 -1.09 -4.96 120.40 122.21 2k7j s VAL 98 Ca 0.22 0.73 0.00 0.00 0.00 0.00 0.00 61.98 62.93 2k7j s VAL 98 Cb -0.12 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.60 2k7j s VAL 98 CO 0.13 0.59 0.08 0.29 0.00 0.00 0.00 175.10 176.18