#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 6.32 -3.38 4.61 0.00 -1.26 -4.94 120.51 121.86 2k7j n ALA 2 Ca 0.00 -4.07 -0.27 0.00 0.00 0.00 0.00 53.44 49.10 2k7j n ALA 2 Cb 0.00 -1.78 -0.17 0.00 0.00 0.00 0.00 19.45 17.50 2k7j n ALA 2 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 2k7j s GLU 3 N -3.98 2.15 0.00 0.00 0.41 -1.26 -5.13 118.70 110.89 2k7j s GLU 3 Ca 0.53 -0.57 0.00 0.00 -0.41 0.00 0.00 54.97 54.52 2k7j s GLU 3 Cb 0.44 -1.70 0.00 0.00 -1.78 0.00 0.00 34.13 31.09 2k7j s GLU 3 CO -0.34 0.08 0.00 0.41 -0.49 0.00 0.00 175.26 174.92 2k7j n GLY 4 N 3.71 3.15 2.41 -1.39 0.00 -1.26 -4.78 105.19 107.03 2k7j n GLY 4 Ca -0.22 -1.84 -0.19 0.00 0.00 0.00 0.00 46.02 43.77 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 0.00 -5.44 -4.50 1.61 3.02 -1.26 -4.89 115.26 103.81 2k7j n ASN 5 Ca 0.00 0.08 -0.44 0.00 -0.03 0.00 0.00 54.58 54.19 2k7j n ASN 5 Cb 0.00 -4.57 -0.00 0.00 -0.61 0.00 0.00 39.78 34.60 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2k7j s THR 6 N -2.91 4.73 0.02 3.41 2.01 -1.26 -4.91 115.64 116.74 2k7j s THR 6 Ca 0.00 -2.34 -0.30 0.00 0.31 0.00 0.00 61.69 59.36 2k7j s THR 6 Cb 0.00 -4.99 -0.08 0.00 0.01 0.00 0.00 72.50 67.44 2k7j s THR 6 CO 0.00 -1.74 1.81 -0.76 -0.69 0.00 0.00 174.62 173.24 2k7j s LEU 7 N 2.47 4.39 0.00 4.42 1.43 -1.26 -1.38 118.68 128.75 2k7j s LEU 7 Ca 0.46 2.52 0.05 0.00 -1.03 0.00 0.00 54.13 56.13 2k7j s LEU 7 Cb -0.01 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.65 2k7j s LEU 7 CO 0.02 -0.98 0.17 2.30 0.23 0.00 0.00 176.35 178.09 2k7j n ILE 8 N 5.31 0.00 -3.43 -0.59 -5.35 0.80 -1.11 119.36 114.98 2k7j n ILE 8 Ca 0.18 -1.79 -0.08 0.00 -0.27 0.00 0.00 62.75 60.80 2k7j n ILE 8 Cb 0.41 0.80 -0.08 0.00 -1.74 0.00 0.00 39.64 39.03 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 -2.77 -0.05 -0.06 7.28 1.04 0.63 -1.94 113.70 117.83 2k7j s SER 9 Ca 0.24 0.52 0.00 0.00 0.48 0.00 0.00 55.95 57.20 2k7j s SER 9 Cb 0.01 1.28 0.02 0.00 0.10 0.00 0.00 66.02 67.44 2k7j s SER 9 CO 0.17 -0.28 -0.04 0.54 0.98 0.00 0.00 173.24 174.62 2k7j s VAL 10 N 2.59 0.57 0.15 5.02 0.11 -1.22 -0.71 120.40 126.90 2k7j s VAL 10 Ca 0.09 -0.08 0.05 0.00 -2.93 0.00 0.00 61.98 59.10 2k7j s VAL 10 Cb -0.14 -0.63 -0.04 0.00 -1.53 0.00 0.00 36.38 34.04 2k7j s VAL 10 CO -0.15 0.26 0.11 1.51 -3.33 0.00 0.00 175.10 173.49 2k7j s ASP 11 N 1.30 5.42 0.16 3.54 1.47 -1.26 -2.20 116.67 125.10 2k7j s ASP 11 Ca -0.05 -0.14 -0.25 0.00 1.18 0.00 0.00 52.55 53.30 2k7j s ASP 11 Cb -0.14 -1.39 0.06 0.00 -0.34 0.00 0.00 42.92 41.11 2k7j s ASP 11 CO -0.02 0.09 0.93 -0.72 0.68 0.00 0.00 175.17 176.13 2k7j s TYR 12 N -1.66 -0.16 -0.56 2.11 -0.85 -0.84 -3.31 117.35 112.09 2k7j s TYR 12 Ca 0.30 -0.15 0.04 0.00 -0.52 0.00 0.00 57.07 56.73 2k7j s TYR 12 Cb -0.10 0.64 0.14 0.00 0.38 0.00 0.00 41.96 43.01 2k7j s TYR 12 CO 0.22 -0.85 0.31 -1.83 -1.52 0.00 0.00 175.55 171.88 2k7j s GLU 13 N -3.34 2.10 0.44 -3.49 -1.05 -1.26 -0.11 118.70 111.98 2k7j s GLU 13 Ca 0.11 -2.74 -0.23 0.00 -0.15 0.00 0.00 54.97 51.96 2k7j s GLU 13 Cb -0.02 -3.36 -0.10 0.00 -0.44 0.00 0.00 34.13 30.20 2k7j s GLU 13 CO 0.02 -1.14 0.90 -0.89 0.95 0.00 0.00 175.26 175.09 2k7j n ILE 14 N 2.94 2.42 -2.64 1.83 2.08 -1.12 -4.65 119.36 120.21 2k7j n ILE 14 Ca 0.08 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.89 2k7j n ILE 14 Cb 0.33 -1.01 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 -0.71 -3.04 0.00 1.39 3.72 -1.14 -2.76 117.46 114.92 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 0.40 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.94 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 -0.01 1.76 1.37 0.00 -1.26 -4.51 105.19 107.55 2k7j n GLY 16 Ca 0.00 -2.25 -0.06 0.00 0.00 0.00 0.00 46.02 43.71 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 0.00 3.03 0.28 1.61 -0.00 -0.92 -4.40 118.16 117.76 2k7j n LYS 17 Ca 0.00 -2.39 0.13 0.00 -0.00 0.00 0.00 58.31 56.05 2k7j n LYS 17 Cb 0.00 -2.01 0.79 0.00 -0.00 0.00 0.00 35.03 33.81 2k7j n LYS 17 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.40 177.01 2k7j h VAL 18 N 1.97 0.60 -0.88 0.58 -1.51 -1.83 -2.37 116.25 112.82 2k7j h VAL 18 Ca 0.24 -0.29 0.16 0.00 -1.23 0.00 0.00 66.70 65.58 2k7j h VAL 18 Cb 2.05 1.18 -0.07 0.00 -2.13 0.00 0.00 31.29 32.32 2k7j h VAL 18 CO 0.62 0.07 0.57 1.56 -1.23 0.00 0.00 177.57 179.16 2k7j h GLN 19 N 0.00 0.57 -0.94 5.19 4.20 -1.84 0.69 115.11 122.97 2k7j h GLN 19 Ca -0.00 -0.03 -0.48 0.00 0.06 0.00 0.00 58.65 58.20 2k7j h GLN 19 Cb 0.18 -0.13 -0.28 0.00 0.30 0.00 0.00 27.48 27.54 2k7j h GLN 19 CO 0.01 0.38 0.58 0.41 -0.67 0.00 0.00 178.83 179.54 2k7j n GLY 20 N -1.46 4.48 3.09 3.46 0.00 -0.89 -4.92 105.19 108.95 2k7j n GLY 20 Ca 0.18 -1.09 -0.12 0.00 0.00 0.00 0.00 46.02 44.98 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 -3.28 0.03 -0.54 1.61 1.01 0.23 -5.00 120.40 114.47 2k7j s VAL 21 Ca 0.56 -0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.30 2k7j s VAL 21 Cb 0.47 -0.35 0.39 0.00 0.00 0.00 0.00 36.38 36.89 2k7j s VAL 21 CO 0.10 -0.15 1.24 2.22 0.00 0.00 0.00 175.10 178.51 2k7j n PHE 22 N 2.33 3.45 -3.45 5.22 -1.74 -1.26 -4.89 117.46 117.12 2k7j n PHE 22 Ca -0.17 -3.14 -0.43 0.00 -0.56 0.00 0.00 57.45 53.15 2k7j n PHE 22 Cb 0.57 -0.35 -0.07 0.00 1.52 0.00 0.00 39.48 41.16 2k7j n PHE 22 CO 0.00 0.00 0.00 -0.06 -0.56 0.00 0.00 176.76 176.14 2k7j s PHE 23 N -3.64 3.39 -0.02 2.97 0.40 -1.26 -4.81 117.98 115.01 2k7j s PHE 23 Ca 0.48 -1.70 0.04 0.00 -0.60 0.00 0.00 56.93 55.15 2k7j s PHE 23 Cb 0.38 -3.63 -0.05 0.00 0.51 0.00 0.00 43.02 40.22 2k7j s PHE 23 CO -0.21 -1.00 0.04 0.54 0.70 0.00 0.00 175.22 175.29 2k7j n ARG 24 N 4.89 2.11 0.18 0.44 1.74 -1.26 -4.45 116.66 120.31 2k7j n ARG 24 Ca -0.08 -0.02 0.05 0.00 -0.77 0.00 0.00 57.85 57.04 2k7j n ARG 24 Cb 0.41 -1.09 0.26 0.00 -1.02 0.00 0.00 32.46 31.01 2k7j n ARG 24 CO 0.00 0.00 0.00 -0.22 -1.52 0.00 0.00 177.63 175.89 2k7j h LYS 25 N 0.00 0.00 0.11 5.56 3.64 -1.98 -2.18 116.57 121.72 2k7j h LYS 25 Ca -0.06 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.07 2k7j h LYS 25 Cb 0.81 0.00 0.03 0.00 -0.41 0.00 0.00 32.23 32.66 2k7j h LYS 25 CO 0.00 0.41 -1.04 1.25 -2.27 0.00 0.00 179.45 177.80 2k7j h HIS 26 N 0.00 0.83 -0.19 1.91 2.76 -1.89 -1.29 115.15 117.29 2k7j h HIS 26 Ca -0.00 -0.53 -0.14 0.00 -2.20 0.00 0.00 60.37 57.49 2k7j h HIS 26 Cb 1.03 -0.06 -0.01 0.00 1.55 0.00 0.00 27.41 29.92 2k7j h HIS 26 CO 0.00 1.38 -0.48 0.00 -1.30 0.00 0.00 177.93 177.53 2k7j h THR 27 N 0.05 1.32 0.04 6.26 1.03 -1.72 -3.00 112.91 116.88 2k7j h THR 27 Ca -0.16 -1.70 -0.22 0.00 -0.01 0.00 0.00 66.41 64.32 2k7j h THR 27 Cb 1.75 1.70 -0.02 0.00 -1.07 0.00 0.00 68.15 70.51 2k7j h THR 27 CO 0.20 0.53 -1.04 0.06 -0.01 0.00 0.00 175.52 175.26 2k7j h GLN 28 N 0.39 0.11 -0.48 0.00 -0.00 -1.48 -3.20 115.11 110.45 2k7j h GLN 28 Ca 0.02 -0.17 -0.02 0.00 -0.00 0.00 0.00 58.65 58.48 2k7j h GLN 28 Cb 0.99 0.06 -0.02 0.00 -0.00 0.00 0.00 27.48 28.51 2k7j h GLN 28 CO 0.09 1.04 0.22 0.00 -0.00 0.00 0.00 178.83 180.18 2k7j h ALA 29 N 0.89 1.49 -0.04 0.06 0.00 -1.16 -2.10 119.26 118.40 2k7j h ALA 29 Ca -0.05 -0.11 -0.16 0.00 0.00 0.00 0.00 54.91 54.59 2k7j h ALA 29 Cb 1.76 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 19.34 2k7j h ALA 29 CO 0.15 0.41 -0.71 1.49 0.00 0.00 0.00 179.25 180.59 2k7j h GLU 30 N 0.68 0.20 0.00 0.00 4.57 -1.57 -3.08 114.58 115.38 2k7j h GLU 30 Ca 0.17 -0.17 -0.06 0.00 -1.18 0.00 0.00 59.36 58.13 2k7j h GLU 30 Cb 0.09 0.04 -0.01 0.00 -0.16 0.00 0.00 28.75 28.70 2k7j h GLU 30 CO -0.02 0.83 -0.27 0.78 -1.18 0.00 0.00 179.01 179.15 2k7j h GLY 31 N 1.66 0.00 1.92 1.92 0.00 -1.39 -2.83 103.07 104.36 2k7j h GLY 31 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.12 2k7j h GLY 31 CO 0.11 0.00 -0.87 0.50 0.00 0.00 0.00 176.54 176.28 2k7j h LYS 32 N 0.00 0.07 -0.23 4.80 1.79 -1.38 -2.74 116.57 118.88 2k7j h LYS 32 Ca -0.00 -0.08 0.07 0.00 -2.18 0.00 0.00 60.65 58.46 2k7j h LYS 32 Cb 0.66 0.02 -0.01 0.00 -1.58 0.00 0.00 32.23 31.32 2k7j h LYS 32 CO 0.04 0.89 0.24 0.87 -1.08 0.00 0.00 179.45 180.40 2k7j h LYS 33 N 0.03 0.00 0.07 3.15 1.79 -1.47 -2.13 116.57 118.01 2k7j h LYS 33 Ca -0.02 0.00 -0.38 0.00 -2.18 0.00 0.00 60.65 58.07 2k7j h LYS 33 Cb 1.51 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.12 2k7j h LYS 33 CO 0.12 0.00 -2.19 1.28 -1.08 0.00 0.00 179.45 177.58 2k7j n LEU 34 N -3.86 2.77 0.00 2.94 4.77 -1.19 -5.03 117.00 117.40 2k7j n LEU 34 Ca 0.03 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k7j n LEU 34 Cb 0.37 -1.03 0.00 0.00 -2.33 0.00 0.00 43.42 40.43 2k7j n LEU 34 CO 0.28 0.88 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 2k7j n GLY 35 N 2.09 0.96 3.62 -0.72 0.00 -0.80 -5.09 105.19 105.26 2k7j n GLY 35 Ca -0.38 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.05 -4.96 118.68 118.03 2k7j s LEU 36 Ca 0.00 -1.03 0.01 0.00 -1.03 0.00 0.00 54.13 52.07 2k7j s LEU 36 Cb 0.00 -1.29 0.01 0.00 0.03 0.00 0.00 46.19 44.94 2k7j s LEU 36 CO 0.00 -0.24 0.06 1.33 0.23 0.00 0.00 176.35 177.72 2k7j n VAL 37 N -0.94 0.00 0.00 -1.59 0.24 -0.90 -3.68 118.33 111.47 2k7j n VAL 37 Ca -0.04 -1.33 0.00 0.00 -2.04 0.00 0.00 64.34 60.93 2k7j n VAL 37 Cb 0.63 0.14 0.00 0.00 -1.47 0.00 0.00 33.84 33.14 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 1.48 0.37 3.65 7.63 0.00 -1.26 -2.53 105.19 114.53 2k7j n GLY 38 Ca -0.09 -1.24 -0.04 0.00 0.00 0.00 0.00 46.02 44.65 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 -0.18 -0.18 1.61 -2.14 -1.26 -3.46 118.94 109.34 2k7j s TRP 39 Ca 0.00 0.43 -0.03 0.00 2.66 0.00 0.00 56.10 59.16 2k7j s TRP 39 Cb 0.00 0.41 -0.02 0.00 -3.10 0.00 0.00 33.47 30.76 2k7j s TRP 39 CO 0.00 -0.09 -0.05 0.08 -2.66 0.00 0.00 176.95 174.24 2k7j s VAL 40 N 0.21 3.62 0.03 -0.66 1.01 -1.20 -2.96 120.40 120.44 2k7j s VAL 40 Ca 0.04 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.60 2k7j s VAL 40 Cb -0.05 -2.60 -0.02 0.00 0.00 0.00 0.00 36.38 33.71 2k7j s VAL 40 CO -0.13 0.46 -0.06 -1.58 0.00 0.00 0.00 175.10 173.80 2k7j s GLN 41 N 0.81 0.42 -0.63 2.72 0.74 -1.08 -0.73 119.66 121.90 2k7j s GLN 41 Ca -0.01 -0.58 -0.07 0.00 0.05 0.00 0.00 55.36 54.74 2k7j s GLN 41 Cb -0.15 -0.18 0.16 0.00 1.10 0.00 0.00 33.01 33.95 2k7j s GLN 41 CO 0.02 0.03 0.49 1.21 -0.55 0.00 0.00 175.29 176.48 2k7j s ASN 42 N -1.23 5.69 1.07 6.67 2.47 -1.26 -0.13 114.94 128.22 2k7j s ASN 42 Ca -0.09 -2.59 -0.14 0.00 0.42 0.00 0.00 52.86 50.46 2k7j s ASN 42 Cb -0.08 -1.97 0.17 0.00 -1.45 0.00 0.00 41.25 37.92 2k7j s ASN 42 CO -0.00 -0.49 0.67 0.35 -3.72 0.00 0.00 177.10 173.91 2k7j n THR 43 N 3.93 0.00 0.13 -5.21 -2.24 -0.72 -4.92 114.28 105.25 2k7j n THR 43 Ca 0.06 -0.27 0.01 0.00 -2.27 0.00 0.00 64.05 61.57 2k7j n THR 43 Cb 0.41 -0.83 0.01 0.00 -2.10 0.00 0.00 70.33 67.82 2k7j n THR 43 CO 0.00 0.00 0.00 0.44 -0.57 0.00 0.00 175.07 174.94 2k7j h ASP 44 N -2.17 0.00 -0.01 3.42 3.32 -1.98 -3.34 116.42 115.65 2k7j h ASP 44 Ca -0.53 0.00 0.03 0.00 0.02 0.00 0.00 57.03 56.56 2k7j h ASP 44 Cb 1.32 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.81 2k7j h ASP 44 CO 0.42 0.58 -0.36 0.03 -1.72 0.00 0.00 179.24 178.19 2k7j h ARG 45 N 0.00 -0.49 0.00 3.56 2.47 -2.04 -3.45 114.38 114.42 2k7j h ARG 45 Ca -0.01 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 58.75 2k7j h ARG 45 Cb 1.44 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 29.87 2k7j h ARG 45 CO 0.08 -0.33 0.00 0.41 0.56 0.00 0.00 179.97 180.69 2k7j n GLY 46 N -1.43 0.00 3.67 0.04 0.00 -1.25 -5.16 105.19 101.06 2k7j n GLY 46 Ca -0.05 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.87 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 0.00 0.00 -0.44 2.61 -4.23 -1.26 -4.70 115.64 107.62 2k7j s THR 47 Ca 0.00 -1.28 -0.00 0.00 -1.18 0.00 0.00 61.69 59.23 2k7j s THR 47 Cb 0.00 -2.46 0.12 0.00 1.34 0.00 0.00 72.50 71.50 2k7j s THR 47 CO 0.00 0.00 0.21 -0.69 -0.54 0.00 0.00 174.62 173.60 2k7j s VAL 48 N -3.31 3.01 -0.55 2.29 1.01 -1.11 -1.75 120.40 119.98 2k7j s VAL 48 Ca 0.21 -2.41 -0.26 0.00 0.00 0.00 0.00 61.98 59.51 2k7j s VAL 48 Cb -0.03 -3.08 -0.08 0.00 0.00 0.00 0.00 36.38 33.19 2k7j s VAL 48 CO 0.12 -0.71 2.41 -1.10 0.00 0.00 0.00 175.10 175.82 2k7j s GLN 49 N 0.73 1.99 -0.11 2.72 -0.21 0.82 -2.78 119.66 122.83 2k7j s GLN 49 Ca 0.11 1.21 -0.03 0.00 0.02 0.00 0.00 55.36 56.67 2k7j s GLN 49 Cb -0.22 -4.63 -0.03 0.00 1.00 0.00 0.00 33.01 29.13 2k7j s GLN 49 CO -0.05 -3.52 0.03 0.20 -2.12 0.00 0.00 175.29 169.83 2k7j s GLY 50 N 11.92 1.89 0.00 3.09 0.00 0.84 -2.62 107.32 122.45 2k7j s GLY 50 Ca 0.96 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.96 2k7j s GLY 50 CO 0.22 -0.42 -0.16 1.25 0.00 0.00 0.00 173.10 174.00 2k7j s LYS 51 N -0.63 2.27 -0.47 2.90 2.47 -1.16 -1.99 119.74 123.13 2k7j s LYS 51 Ca 0.11 -0.86 0.03 0.00 -1.56 0.00 0.00 55.97 53.69 2k7j s LYS 51 Cb -0.12 -2.28 0.13 0.00 -1.46 0.00 0.00 37.83 34.10 2k7j s LYS 51 CO 0.02 0.57 0.23 -0.51 0.16 0.00 0.00 175.35 175.83 2k7j s LEU 52 N -1.17 3.72 -0.19 5.43 1.43 -0.93 -4.10 118.68 122.88 2k7j s LEU 52 Ca 0.14 -2.78 -0.10 0.00 -1.03 0.00 0.00 54.13 50.35 2k7j s LEU 52 Cb -0.11 -1.41 -0.05 0.00 0.03 0.00 0.00 46.19 44.66 2k7j s LEU 52 CO 0.04 -0.26 0.15 -1.10 0.23 0.00 0.00 176.35 175.41 2k7j s GLN 53 N 0.06 4.16 0.00 1.70 -1.52 -1.05 -3.46 119.66 119.55 2k7j s GLN 53 Ca 0.17 -0.17 0.00 0.00 -1.95 0.00 0.00 55.36 53.40 2k7j s GLN 53 Cb -0.25 -3.41 0.00 0.00 -0.22 0.00 0.00 33.01 29.14 2k7j s GLN 53 CO -0.01 0.32 0.00 0.41 -0.25 0.00 0.00 175.29 175.76 2k7j n GLY 54 N 3.41 0.73 3.75 3.09 0.00 -0.82 -2.11 105.19 113.24 2k7j n GLY 54 Ca -0.16 -1.82 -0.41 0.00 0.00 0.00 0.00 46.02 43.63 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 4.43 0.53 1.61 0.04 -1.26 -0.14 135.00 138.21 2k7j s PRO 55 Ca 0.00 2.05 0.17 0.00 0.04 0.00 0.00 61.00 63.27 2k7j s PRO 55 Cb 0.00 -3.15 1.32 0.00 0.04 0.00 0.00 34.50 32.71 2k7j s PRO 55 CO 0.00 -0.13 2.16 0.82 0.04 0.00 0.00 177.00 179.88 2k7j h ILE 56 N 3.37 0.95 -0.80 0.56 2.04 -1.59 -1.59 117.51 120.47 2k7j h ILE 56 Ca -0.47 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.62 2k7j h ILE 56 Cb 1.22 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 2k7j h ILE 56 CO 0.71 0.00 0.57 -1.28 0.00 0.00 0.00 178.15 178.15 2k7j h SER 57 N 0.00 0.01 0.02 1.72 0.87 -1.91 0.76 113.55 115.02 2k7j h SER 57 Ca 0.01 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.19 2k7j h SER 57 Cb 0.02 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 61.91 2k7j h SER 57 CO -0.00 0.01 -2.39 0.29 -0.53 0.00 0.00 176.83 174.20 2k7j n LYS 58 N -4.31 0.68 0.25 2.24 4.01 -0.65 -4.31 118.16 116.07 2k7j n LYS 58 Ca 0.16 0.05 0.09 0.00 -0.51 0.00 0.00 58.31 58.10 2k7j n LYS 58 Cb 0.86 -1.53 0.64 0.00 -0.51 0.00 0.00 35.03 34.48 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 0.88 -0.00 -0.18 2.07 -0.67 -1.74 116.25 116.60 2k7j h VAL 59 Ca -0.55 -0.45 0.00 0.00 0.82 0.00 0.00 66.70 66.52 2k7j h VAL 59 Cb 2.13 1.26 -0.00 0.00 -1.52 0.00 0.00 31.29 33.16 2k7j h VAL 59 CO -0.00 0.12 0.00 0.03 0.02 0.00 0.00 177.57 177.74 2k7j h ARG 60 N 0.00 0.00 0.01 1.57 2.47 -1.09 -1.99 114.38 115.36 2k7j h ARG 60 Ca -0.00 0.00 -0.34 0.00 -1.26 0.00 0.00 59.98 58.38 2k7j h ARG 60 Cb 0.25 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.51 2k7j h ARG 60 CO 0.02 0.00 -2.07 0.39 0.56 0.00 0.00 179.97 178.87 2k7j n GLU 61 N -3.98 0.67 -0.32 0.04 -0.58 -0.69 -4.28 120.64 111.50 2k7j n GLU 61 Ca -0.03 0.16 -0.04 0.00 -0.42 0.00 0.00 57.16 56.84 2k7j n GLU 61 Cb 0.09 -1.66 0.08 0.00 -0.57 0.00 0.00 31.44 29.38 2k7j n GLU 61 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2k7j h MET 62 N 0.01 1.15 -0.80 3.49 2.86 -1.00 -1.70 114.93 118.94 2k7j h MET 62 Ca -0.43 -0.10 0.23 0.00 -2.06 0.00 0.00 59.70 57.35 2k7j h MET 62 Cb 2.09 -0.25 -0.03 0.00 0.06 0.00 0.00 31.60 33.48 2k7j h MET 62 CO 0.05 0.80 0.57 -0.56 1.06 0.00 0.00 176.91 178.83 2k7j h GLN 63 N 1.17 0.01 0.01 1.72 3.07 -1.57 0.30 115.11 119.82 2k7j h GLN 63 Ca 0.31 -0.00 -0.27 0.00 0.09 0.00 0.00 58.65 58.78 2k7j h GLN 63 Cb -0.07 -0.00 -0.04 0.00 0.08 0.00 0.00 27.48 27.45 2k7j h GLN 63 CO -0.06 0.01 -1.50 0.87 0.09 0.00 0.00 178.83 178.24 2k7j h LYS 64 N 0.01 0.02 0.00 0.06 6.56 -1.55 -3.12 116.57 118.55 2k7j h LYS 64 Ca 0.38 -0.03 -0.10 0.00 -1.06 0.00 0.00 60.65 59.84 2k7j h LYS 64 Cb 1.52 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 33.17 2k7j h LYS 64 CO -0.01 0.68 -0.46 -1.49 -2.06 0.00 0.00 179.45 176.12 2k7j h TRP 65 N 0.00 0.00 -0.48 -1.35 4.06 -0.02 -2.37 115.95 115.79 2k7j h TRP 65 Ca -0.21 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.74 2k7j h TRP 65 Cb 1.94 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.10 2k7j h TRP 65 CO 0.00 0.46 0.00 1.28 -3.56 0.00 0.00 178.44 176.62 2k7j n LEU 66 N -3.42 4.61 0.00 -4.49 4.77 0.71 -3.18 117.00 115.99 2k7j n LEU 66 Ca 0.00 -2.71 0.00 0.00 -0.03 0.00 0.00 56.01 53.27 2k7j n LEU 66 Cb 0.61 -0.56 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 2k7j n LEU 66 CO 0.39 0.71 -0.47 1.21 -1.33 0.00 0.00 177.39 177.89 2k7j n GLU 67 N 0.43 0.00 -0.03 3.23 2.13 -1.15 -4.87 120.64 120.38 2k7j n GLU 67 Ca 0.24 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.06 2k7j n GLU 67 Cb 0.94 -0.53 -0.08 0.00 0.27 0.00 0.00 31.44 32.04 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 -2.92 0.34 -3.54 6.31 5.66 -0.90 -4.51 114.28 114.72 2k7j n THR 68 Ca 0.00 -0.34 -0.22 0.00 -3.05 0.00 0.00 64.05 60.45 2k7j n THR 68 Cb 0.47 -0.24 -0.01 0.00 -1.55 0.00 0.00 70.33 69.00 2k7j n THR 68 CO 0.00 0.00 0.00 -0.13 -3.05 0.00 0.00 175.07 171.89 2k7j s ARG 69 N -2.50 2.46 0.00 1.09 1.81 -1.19 -4.79 118.95 115.83 2k7j s ARG 69 Ca -0.04 -1.64 0.00 0.00 -1.72 0.00 0.00 55.73 52.33 2k7j s ARG 69 Cb 0.05 -2.37 0.00 0.00 -0.45 0.00 0.00 34.95 32.18 2k7j s ARG 69 CO 0.43 -0.36 0.00 0.41 -0.68 0.00 0.00 175.30 175.10 2k7j n GLY 70 N -1.69 -1.48 3.35 -3.53 0.00 -1.22 -4.21 105.19 96.40 2k7j n GLY 70 Ca 0.04 0.50 -0.11 0.00 0.00 0.00 0.00 46.02 46.45 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 -0.28 0.54 1.61 1.04 -1.26 -4.20 113.70 107.15 2k7j s SER 71 Ca 0.00 -0.30 0.33 0.00 0.48 0.00 0.00 55.95 56.46 2k7j s SER 71 Cb 0.00 0.50 1.35 0.00 0.10 0.00 0.00 66.02 67.97 2k7j s SER 71 CO 0.00 -0.89 1.98 1.55 0.98 0.00 0.00 173.24 176.87 2k7j h PRO 72 N 2.30 0.00 0.00 4.02 0.13 -2.02 -3.30 132.00 133.14 2k7j h PRO 72 Ca -0.33 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.75 2k7j h PRO 72 Cb 1.26 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.39 2k7j h PRO 72 CO 0.45 0.04 -0.62 1.49 -0.23 0.00 0.00 178.00 179.13 2k7j h GLU 73 N 0.00 0.00 -7.40 0.86 4.57 -2.02 -3.48 114.58 107.11 2k7j h GLU 73 Ca -0.00 0.00 -0.49 0.00 -1.18 0.00 0.00 59.36 57.69 2k7j h GLU 73 Cb 0.52 0.00 0.07 0.00 -0.16 0.00 0.00 28.75 29.18 2k7j h GLU 73 CO 0.00 0.20 0.36 -1.54 -1.18 0.00 0.00 179.01 176.85 2k7j s SER 74 N -5.94 5.39 0.07 1.04 1.04 -1.24 -5.00 113.70 109.06 2k7j s SER 74 Ca -0.17 0.99 -0.06 0.00 0.48 0.00 0.00 55.95 57.20 2k7j s SER 74 Cb 0.03 -1.81 -0.01 0.00 0.10 0.00 0.00 66.02 64.33 2k7j s SER 74 CO 0.28 -1.33 0.12 -2.28 0.98 0.00 0.00 173.24 171.01 2k7j s HIS 75 N -3.29 0.26 -0.37 5.02 2.46 -1.26 -4.23 115.29 113.87 2k7j s HIS 75 Ca 0.58 -0.70 0.00 0.00 0.47 0.00 0.00 55.06 55.41 2k7j s HIS 75 Cb -0.11 -0.16 0.13 0.00 -0.13 0.00 0.00 32.58 32.31 2k7j s HIS 75 CO 0.50 -0.48 0.20 0.42 -2.47 0.00 0.00 174.74 172.91 2k7j s ILE 76 N -3.71 0.74 0.35 0.89 1.09 -1.26 -2.16 121.20 117.14 2k7j s ILE 76 Ca 0.04 -1.92 0.11 0.00 -1.10 0.00 0.00 60.65 57.78 2k7j s ILE 76 Cb 0.05 -1.54 0.07 0.00 -1.06 0.00 0.00 42.46 39.99 2k7j s ILE 76 CO -0.10 -0.88 1.79 -0.78 -0.10 0.00 0.00 174.94 174.87 2k7j h ASP 77 N 7.18 0.07 -5.02 3.58 3.58 -1.80 -3.41 116.42 120.61 2k7j h ASP 77 Ca -0.02 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.34 2k7j h ASP 77 Cb 0.96 -0.02 -0.17 0.00 1.72 0.00 0.00 39.33 41.83 2k7j h ASP 77 CO 0.40 0.45 0.03 -1.59 -2.88 0.00 0.00 179.24 175.65 2k7j s LYS 78 N -4.17 1.01 0.24 0.28 -2.85 -1.26 -5.06 119.74 107.93 2k7j s LYS 78 Ca -0.03 -0.20 0.02 0.00 -1.00 0.00 0.00 55.97 54.75 2k7j s LYS 78 Cb 0.14 0.46 -0.01 0.00 -2.06 0.00 0.00 37.83 36.37 2k7j s LYS 78 CO 0.74 -0.36 0.27 0.00 0.10 0.00 0.00 175.35 176.11 2k7j n ALA 79 N 0.49 0.11 -3.87 0.59 0.00 -1.26 -2.88 120.51 113.68 2k7j n ALA 79 Ca -0.18 -1.24 -0.03 0.00 0.00 0.00 0.00 53.44 51.99 2k7j n ALA 79 Cb 0.60 1.00 0.01 0.00 0.00 0.00 0.00 19.45 21.06 2k7j n ALA 79 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2k7j s ASN 80 N -2.56 -0.01 0.05 0.00 2.47 -1.26 -4.97 114.94 108.65 2k7j s ASN 80 Ca 0.24 -0.61 -0.02 0.00 0.42 0.00 0.00 52.86 52.89 2k7j s ASN 80 Cb 0.00 0.47 -0.03 0.00 -1.45 0.00 0.00 41.25 40.24 2k7j s ASN 80 CO 0.17 -0.92 0.01 0.72 -3.72 0.00 0.00 177.10 173.35 2k7j s PHE 81 N -2.26 0.43 0.25 0.43 -0.12 -1.26 -4.72 117.98 110.73 2k7j s PHE 81 Ca 0.21 -0.93 0.03 0.00 -0.05 0.00 0.00 56.93 56.20 2k7j s PHE 81 Cb -0.02 -0.32 0.03 0.00 -0.63 0.00 0.00 43.02 42.08 2k7j s PHE 81 CO 0.04 -0.38 0.27 1.63 -0.05 0.00 0.00 175.22 176.73 2k7j n LYS 82 N 0.26 0.98 -1.88 1.99 4.76 -1.21 -5.00 118.16 118.06 2k7j n LYS 82 Ca -0.15 -1.43 -0.31 0.00 -2.87 0.00 0.00 58.31 53.55 2k7j n LYS 82 Cb 0.60 0.03 -0.04 0.00 -1.84 0.00 0.00 35.03 33.78 2k7j n LYS 82 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 2k7j s ASN 83 N -2.49 4.86 1.08 4.39 2.47 -1.26 -4.86 114.94 119.12 2k7j s ASN 83 Ca 0.20 0.13 -0.17 0.00 0.42 0.00 0.00 52.86 53.44 2k7j s ASN 83 Cb -0.02 -2.54 0.09 0.00 -1.45 0.00 0.00 41.25 37.34 2k7j s ASN 83 CO 0.13 -2.82 0.12 -1.84 -3.72 0.00 0.00 177.10 168.97 2k7j n GLU 84 N 9.00 -1.28 -3.58 0.43 0.00 -1.26 -4.87 120.64 119.08 2k7j n GLU 84 Ca 0.33 -0.35 -0.23 0.00 0.00 0.00 0.00 57.16 56.91 2k7j n GLU 84 Cb 0.50 -1.74 -0.16 0.00 0.00 0.00 0.00 31.44 30.03 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 -3.50 0.09 0.04 3.44 2.47 0.11 -4.96 119.74 117.43 2k7j s LYS 85 Ca 0.56 0.05 -0.31 0.00 -1.56 0.00 0.00 55.97 54.71 2k7j s LYS 85 Cb -0.14 -1.53 -0.06 0.00 -1.46 0.00 0.00 37.83 34.64 2k7j s LYS 85 CO 0.66 -0.63 1.33 0.08 0.16 0.00 0.00 175.35 176.95 2k7j s VAL 86 N 2.20 3.72 0.25 4.02 1.01 -1.26 -0.27 120.40 130.06 2k7j s VAL 86 Ca 0.04 1.18 0.04 0.00 0.00 0.00 0.00 61.98 63.23 2k7j s VAL 86 Cb -0.16 -3.76 -0.05 0.00 0.00 0.00 0.00 36.38 32.41 2k7j s VAL 86 CO -0.09 0.05 -0.00 0.27 0.00 0.00 0.00 175.10 175.32 2k7j s ILE 87 N 1.66 1.14 -0.14 2.22 -4.36 -0.27 -4.94 121.20 116.50 2k7j s ILE 87 Ca 0.62 -2.04 0.17 0.00 -0.26 0.00 0.00 60.65 59.14 2k7j s ILE 87 Cb -0.32 -2.41 -0.24 0.00 1.25 0.00 0.00 42.46 40.74 2k7j s ILE 87 CO 0.28 -0.28 0.32 -0.11 0.24 0.00 0.00 174.94 175.38 2k7j n LEU 88 N -0.47 0.26 -4.02 0.37 7.94 -1.26 -4.27 117.00 115.55 2k7j n LEU 88 Ca -0.05 0.12 -0.21 0.00 -1.11 0.00 0.00 56.01 54.76 2k7j n LEU 88 Cb 0.64 0.33 -0.16 0.00 0.53 0.00 0.00 43.42 44.77 2k7j n LEU 88 CO 0.38 0.38 -0.45 -1.59 -1.11 0.00 0.00 177.39 175.00 2k7j s LYS 89 N -2.69 1.10 0.58 1.96 -2.85 -1.26 -4.96 119.74 111.63 2k7j s LYS 89 Ca -0.08 -0.35 -0.17 0.00 -1.00 0.00 0.00 55.97 54.37 2k7j s LYS 89 Cb 0.08 -1.01 -0.04 0.00 -2.06 0.00 0.00 37.83 34.79 2k7j s LYS 89 CO 0.84 0.13 1.06 -0.51 0.10 0.00 0.00 175.35 176.97 2k7j s LEU 90 N 0.19 3.56 0.16 2.77 1.43 -1.26 -4.97 118.68 120.56 2k7j s LEU 90 Ca -0.04 1.87 0.14 0.00 -1.03 0.00 0.00 54.13 55.07 2k7j s LEU 90 Cb -0.09 -4.54 -0.06 0.00 0.03 0.00 0.00 46.19 41.52 2k7j s LEU 90 CO 0.01 -1.15 1.17 -0.78 0.23 0.00 0.00 176.35 175.83 2k7j h ASP 91 N 0.62 0.00 -2.97 2.29 1.82 -1.98 -3.47 116.42 112.73 2k7j h ASP 91 Ca -0.47 0.00 -0.49 0.00 -0.39 0.00 0.00 57.03 55.68 2k7j h ASP 91 Cb 1.22 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.09 2k7j h ASP 91 CO 0.57 0.63 -0.71 -0.31 -1.61 0.00 0.00 179.24 177.82 2k7j s TYR 92 N -2.89 1.88 -0.07 0.28 1.51 -1.26 -5.05 117.35 111.75 2k7j s TYR 92 Ca 0.01 -0.61 0.10 0.00 -1.01 0.00 0.00 57.07 55.55 2k7j s TYR 92 Cb 0.08 -0.97 -0.14 0.00 -0.11 0.00 0.00 41.96 40.83 2k7j s TYR 92 CO 0.78 0.36 0.11 0.43 -1.11 0.00 0.00 175.55 176.12 2k7j n SER 93 N -0.50 2.53 -3.86 2.29 7.64 -1.26 -4.87 113.62 115.59 2k7j n SER 93 Ca -0.06 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.69 2k7j n SER 93 Cb 0.62 1.02 -0.14 0.00 -1.01 0.00 0.00 64.21 64.70 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 -3.87 -0.04 0.29 6.43 1.47 -1.26 -4.84 116.67 114.85 2k7j s ASP 94 Ca -0.05 0.07 -0.30 0.00 1.18 0.00 0.00 52.55 53.46 2k7j s ASP 94 Cb 0.04 0.08 -0.11 0.00 -0.34 0.00 0.00 42.92 42.59 2k7j s ASP 94 CO 0.43 -0.02 1.48 0.12 0.68 0.00 0.00 175.17 177.86 2k7j s PHE 95 N 0.01 2.88 0.25 2.11 2.19 -1.24 -4.51 117.98 119.68 2k7j s PHE 95 Ca -0.00 1.02 0.04 0.00 0.33 0.00 0.00 56.93 58.32 2k7j s PHE 95 Cb -0.00 -3.91 -0.01 0.00 -1.31 0.00 0.00 43.02 37.79 2k7j s PHE 95 CO 0.00 -2.89 0.13 1.04 1.83 0.00 0.00 175.22 175.34 2k7j n GLN 96 N 1.83 0.54 -4.36 10.12 6.02 -1.22 -4.93 117.38 125.37 2k7j n GLN 96 Ca 0.05 -2.28 -0.23 0.00 -0.01 0.00 0.00 57.00 54.53 2k7j n GLN 96 Cb 0.39 1.47 -0.13 0.00 1.02 0.00 0.00 30.24 33.00 2k7j n GLN 96 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2k7j s ILE 97 N -2.70 1.57 -0.17 5.09 1.01 -1.26 -3.25 121.20 121.49 2k7j s ILE 97 Ca 0.19 -1.39 -0.01 0.00 0.00 0.00 0.00 60.65 59.44 2k7j s ILE 97 Cb 0.01 -1.42 -0.00 0.00 0.01 0.00 0.00 42.46 41.05 2k7j s ILE 97 CO 0.13 -0.02 -0.12 -0.69 0.00 0.00 0.00 174.94 174.25 2k7j s VAL 98 N -1.07 2.94 -1.57 2.92 1.01 0.09 -4.85 120.40 119.86 2k7j s VAL 98 Ca 0.05 -0.67 0.00 0.00 0.00 0.00 0.00 61.98 61.36 2k7j s VAL 98 Cb -0.10 -2.27 0.00 0.00 0.00 0.00 0.00 36.38 34.01 2k7j s VAL 98 CO 0.03 0.49 0.39 0.29 0.00 0.00 0.00 175.10 176.31