#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j h ALA 2 N 0.00 -0.00 -5.98 4.61 0.00 -2.04 -3.48 119.26 112.37 2k7j h ALA 2 Ca 0.00 -0.50 -0.42 0.00 0.00 0.00 0.00 54.91 53.99 2k7j h ALA 2 Cb 0.00 0.02 0.09 0.00 0.00 0.00 0.00 17.79 17.90 2k7j h ALA 2 CO 0.00 0.06 -0.70 0.39 0.00 0.00 0.00 179.25 179.00 2k7j n GLU 3 N -4.53 -7.30 0.00 0.00 1.02 -1.26 -4.98 120.64 103.59 2k7j n GLU 3 Ca -0.10 0.76 0.00 0.00 -0.02 0.00 0.00 57.16 57.80 2k7j n GLU 3 Cb 0.52 -5.78 0.00 0.00 -0.02 0.00 0.00 31.44 26.16 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 -1.92 3.65 2.83 0.62 0.00 -1.26 -4.88 105.19 104.23 2k7j n GLY 4 Ca 0.02 -1.69 -0.38 0.00 0.00 0.00 0.00 46.02 43.97 2k7j n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k7j n ASN 5 N 0.00 5.71 -4.21 1.61 0.23 -1.26 -4.19 115.26 113.15 2k7j n ASN 5 Ca 0.00 -3.44 -0.44 0.00 -0.53 0.00 0.00 54.58 50.17 2k7j n ASN 5 Cb 0.00 -1.09 0.00 0.00 -2.08 0.00 0.00 39.78 36.61 2k7j n ASN 5 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2k7j n THR 6 N 1.12 4.77 -1.64 5.53 -1.04 -1.26 -4.97 114.28 116.78 2k7j n THR 6 Ca 0.28 -5.57 -0.47 0.00 -2.04 0.00 0.00 64.05 56.26 2k7j n THR 6 Cb 0.35 -2.41 -0.04 0.00 -1.82 0.00 0.00 70.33 66.42 2k7j n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k7j n LEU 7 N 2.19 2.63 0.00 -4.42 4.77 -1.26 -1.56 117.00 119.35 2k7j n LEU 7 Ca 0.25 1.13 -0.15 0.00 -0.03 0.00 0.00 56.01 57.20 2k7j n LEU 7 Cb 0.37 -1.36 -0.05 0.00 -2.33 0.00 0.00 43.42 40.05 2k7j n LEU 7 CO 0.55 -0.67 0.04 2.30 -1.33 0.00 0.00 177.39 178.28 2k7j n ILE 8 N 2.22 0.00 -3.45 -0.08 -5.35 0.82 -2.18 119.36 111.34 2k7j n ILE 8 Ca 0.14 -1.85 -0.10 0.00 -0.27 0.00 0.00 62.75 60.67 2k7j n ILE 8 Cb 0.28 1.02 -0.09 0.00 -1.74 0.00 0.00 39.64 39.11 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 -2.98 0.29 -0.03 7.28 1.04 0.36 -2.59 113.70 117.06 2k7j s SER 9 Ca 0.30 0.35 -0.00 0.00 0.48 0.00 0.00 55.95 57.08 2k7j s SER 9 Cb 0.00 1.04 0.03 0.00 0.10 0.00 0.00 66.02 67.19 2k7j s SER 9 CO 0.22 -0.29 0.02 0.54 0.98 0.00 0.00 173.24 174.71 2k7j s VAL 10 N 2.52 0.08 0.25 5.02 0.11 -1.24 -0.80 120.40 126.33 2k7j s VAL 10 Ca 0.09 0.18 0.10 0.00 -2.93 0.00 0.00 61.98 59.42 2k7j s VAL 10 Cb -0.15 -0.21 -0.04 0.00 -1.53 0.00 0.00 36.38 34.45 2k7j s VAL 10 CO -0.14 0.14 -0.10 1.51 -3.33 0.00 0.00 175.10 173.18 2k7j s ASP 11 N 1.28 4.13 0.07 3.54 -4.77 -1.26 -0.64 116.67 119.02 2k7j s ASP 11 Ca -0.06 -0.76 -0.27 0.00 -3.30 0.00 0.00 52.55 48.16 2k7j s ASP 11 Cb -0.13 -0.62 0.09 0.00 -1.09 0.00 0.00 42.92 41.17 2k7j s ASP 11 CO -0.03 0.04 1.14 -0.72 0.70 0.00 0.00 175.17 176.31 2k7j s TYR 12 N -2.20 -0.06 -0.50 2.11 -0.85 -0.78 -3.39 117.35 111.68 2k7j s TYR 12 Ca 0.29 -0.16 0.03 0.00 -0.52 0.00 0.00 57.07 56.72 2k7j s TYR 12 Cb -0.07 0.60 0.14 0.00 0.38 0.00 0.00 41.96 43.01 2k7j s TYR 12 CO 0.17 -0.55 0.28 -1.83 -1.52 0.00 0.00 175.55 172.10 2k7j s GLU 13 N -2.68 1.71 0.43 -3.49 -1.05 -1.26 -2.26 118.70 110.10 2k7j s GLU 13 Ca 0.15 -2.43 -0.23 0.00 -0.15 0.00 0.00 54.97 52.31 2k7j s GLU 13 Cb 0.01 -2.86 -0.10 0.00 -0.44 0.00 0.00 34.13 30.74 2k7j s GLU 13 CO -0.00 -1.16 0.91 -0.89 0.95 0.00 0.00 175.26 175.07 2k7j n ILE 14 N 3.15 2.42 -2.47 1.83 2.08 -1.04 -4.67 119.36 120.66 2k7j n ILE 14 Ca 0.09 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.90 2k7j n ILE 14 Cb 0.34 -1.03 0.00 0.00 -0.75 0.00 0.00 39.64 38.20 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 -0.67 -3.22 0.00 1.39 3.72 -1.13 -2.14 117.46 115.41 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 1.90 1.37 0.00 -1.26 -4.58 105.19 107.63 2k7j n GLY 16 Ca 0.00 -2.27 -0.14 0.00 0.00 0.00 0.00 46.02 43.60 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 2.40 0.23 1.61 2.85 -0.74 -4.49 118.16 120.02 2k7j n LYS 17 Ca 0.00 -2.41 0.18 0.00 -1.05 0.00 0.00 58.31 55.03 2k7j n LYS 17 Cb 0.00 -1.97 0.87 0.00 -0.65 0.00 0.00 35.03 33.28 2k7j n LYS 17 CO 0.00 0.00 0.00 -0.39 -0.05 0.00 0.00 177.40 176.96 2k7j h VAL 18 N 1.25 0.36 -0.25 0.58 -1.51 -1.84 -0.53 116.25 114.31 2k7j h VAL 18 Ca 0.41 0.00 0.07 0.00 -1.23 0.00 0.00 66.70 65.95 2k7j h VAL 18 Cb 2.33 0.83 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 2k7j h VAL 18 CO 0.79 0.00 0.26 0.06 -1.23 0.00 0.00 177.57 177.45 2k7j h GLN 19 N 0.00 0.00 -2.95 5.19 -0.00 -1.81 -3.15 115.11 112.39 2k7j h GLN 19 Ca 0.07 0.00 -0.68 0.00 -0.00 0.00 0.00 58.65 58.04 2k7j h GLN 19 Cb 0.48 0.00 -0.37 0.00 -0.00 0.00 0.00 27.48 27.59 2k7j h GLN 19 CO -0.00 0.00 -0.16 0.41 -0.00 0.00 0.00 178.83 179.08 2k7j n GLY 20 N -1.44 4.42 3.63 0.06 0.00 -0.21 -5.00 105.19 106.66 2k7j n GLY 20 Ca 0.03 -2.65 -0.05 0.00 0.00 0.00 0.00 46.02 43.35 2k7j n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7j s VAL 21 N -1.87 0.00 -0.66 1.61 0.11 -1.19 -4.75 120.40 113.65 2k7j s VAL 21 Ca 0.31 0.00 0.03 0.00 -2.93 0.00 0.00 61.98 59.39 2k7j s VAL 21 Cb 0.00 -1.00 0.36 0.00 -1.53 0.00 0.00 36.38 34.21 2k7j s VAL 21 CO -0.07 0.00 1.30 0.49 -3.33 0.00 0.00 175.10 173.48 2k7j n PHE 22 N 1.02 3.50 -3.84 1.54 3.01 -1.26 -4.95 117.46 116.48 2k7j n PHE 22 Ca -0.06 -3.27 -0.30 0.00 1.01 0.00 0.00 57.45 54.83 2k7j n PHE 22 Cb 0.58 -0.59 -0.15 0.00 -0.01 0.00 0.00 39.48 39.30 2k7j n PHE 22 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 2k7j s PHE 23 N -3.73 2.43 -0.03 1.38 0.40 -1.26 -4.92 117.98 112.24 2k7j s PHE 23 Ca 0.47 -2.15 0.05 0.00 -0.60 0.00 0.00 56.93 54.70 2k7j s PHE 23 Cb 0.32 -2.11 -0.07 0.00 0.51 0.00 0.00 43.02 41.67 2k7j s PHE 23 CO -0.19 -0.89 0.06 0.54 0.70 0.00 0.00 175.22 175.44 2k7j n ARG 24 N 4.64 1.94 0.18 0.44 1.74 -1.26 -4.54 116.66 119.80 2k7j n ARG 24 Ca -0.01 -0.02 0.04 0.00 -0.77 0.00 0.00 57.85 57.09 2k7j n ARG 24 Cb 0.42 -1.13 0.33 0.00 -1.02 0.00 0.00 32.46 31.05 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 0.00 5.56 3.64 -2.01 -2.81 116.57 120.96 2k7j h LYS 25 Ca -0.08 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.20 2k7j h LYS 25 Cb 0.89 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.70 2k7j h LYS 25 CO 0.00 0.41 -0.46 1.25 -2.27 0.00 0.00 179.45 178.39 2k7j h HIS 26 N 0.00 0.00 -0.43 1.91 2.76 -1.98 -2.40 115.15 115.01 2k7j h HIS 26 Ca -0.00 0.00 -0.14 0.00 -2.20 0.00 0.00 60.37 58.02 2k7j h HIS 26 Cb 0.87 0.00 -0.01 0.00 1.55 0.00 0.00 27.41 29.82 2k7j h HIS 26 CO 0.00 0.46 -0.29 1.15 -1.30 0.00 0.00 177.93 177.95 2k7j h THR 27 N 0.00 1.27 0.00 6.26 2.02 -1.73 -3.06 112.91 117.67 2k7j h THR 27 Ca -0.00 -1.45 -0.12 0.00 0.77 0.00 0.00 66.41 65.60 2k7j h THR 27 Cb 1.12 1.25 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 2k7j h THR 27 CO 0.06 0.49 -0.59 0.06 0.37 0.00 0.00 175.52 175.91 2k7j h GLN 28 N 0.80 0.00 -0.24 6.66 3.07 -1.55 -3.32 115.11 120.52 2k7j h GLN 28 Ca 0.09 0.00 0.04 0.00 0.09 0.00 0.00 58.65 58.87 2k7j h GLN 28 Cb 0.87 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.39 2k7j h GLN 28 CO 0.08 0.54 -0.01 0.00 0.09 0.00 0.00 178.83 179.52 2k7j h ALA 29 N 1.45 0.20 -0.49 0.06 0.00 -1.32 -1.02 119.26 118.13 2k7j h ALA 29 Ca -0.01 0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.08 2k7j h ALA 29 Cb 1.43 0.13 -0.03 0.00 0.00 0.00 0.00 17.79 19.32 2k7j h ALA 29 CO 0.07 -0.43 0.34 0.93 0.00 0.00 0.00 179.25 180.16 2k7j h GLU 30 N 0.06 0.17 0.00 0.00 4.39 -1.65 0.65 114.58 118.19 2k7j h GLU 30 Ca 0.11 -0.01 -0.09 0.00 0.34 0.00 0.00 59.36 59.71 2k7j h GLU 30 Cb 0.15 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.75 2k7j h GLU 30 CO -0.20 0.11 -0.45 0.78 -1.16 0.00 0.00 179.01 178.09 2k7j h GLY 31 N 0.17 0.00 0.88 -3.84 0.00 -1.35 -3.25 103.07 95.67 2k7j h GLY 31 Ca 0.23 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.33 2k7j h GLY 31 CO -0.04 0.00 -1.03 0.50 0.00 0.00 0.00 176.54 175.98 2k7j h LYS 32 N 0.00 0.39 -0.86 4.80 1.57 -0.33 -0.12 116.57 122.02 2k7j h LYS 32 Ca -0.00 -0.65 0.22 0.00 -1.87 0.00 0.00 60.65 58.35 2k7j h LYS 32 Cb 1.07 0.24 -0.05 0.00 0.08 0.00 0.00 32.23 33.57 2k7j h LYS 32 CO 0.06 1.31 0.59 -0.22 -0.57 0.00 0.00 179.45 180.62 2k7j h LYS 33 N -0.19 0.18 0.00 3.15 1.63 -1.35 -3.16 116.57 116.83 2k7j h LYS 33 Ca -0.18 -0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.61 2k7j h LYS 33 Cb 1.81 -0.04 0.00 0.00 -0.60 0.00 0.00 32.23 33.40 2k7j h LYS 33 CO 0.19 0.12 -0.41 1.28 -3.45 0.00 0.00 179.45 177.18 2k7j n LEU 34 N -4.39 1.08 0.00 5.20 4.77 -1.23 -5.06 117.00 117.37 2k7j n LEU 34 Ca 0.18 0.36 0.00 0.00 -0.03 0.00 0.00 56.01 56.52 2k7j n LEU 34 Cb 0.80 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 41.21 2k7j n LEU 34 CO 0.35 -0.44 0.00 0.61 -1.33 0.00 0.00 177.39 176.58 2k7j n GLY 35 N 1.59 0.26 3.84 -0.72 0.00 -0.41 -5.09 105.19 104.66 2k7j n GLY 35 Ca -0.06 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.71 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 2.87 0.31 0.99 1.43 -0.19 -4.90 118.68 119.20 2k7j s LEU 36 Ca 0.00 -1.17 0.02 0.00 -1.03 0.00 0.00 54.13 51.95 2k7j s LEU 36 Cb 0.00 -1.34 -0.02 0.00 0.03 0.00 0.00 46.19 44.86 2k7j s LEU 36 CO 0.00 -0.87 0.34 0.68 0.23 0.00 0.00 176.35 176.73 2k7j s VAL 37 N -2.69 0.00 0.00 -1.59 -7.23 -0.37 -4.23 120.40 104.29 2k7j s VAL 37 Ca 0.35 -1.83 0.00 0.00 -1.81 0.00 0.00 61.98 58.69 2k7j s VAL 37 Cb -0.00 -2.54 0.00 0.00 0.56 0.00 0.00 36.38 34.40 2k7j s VAL 37 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2k7j n GLY 38 N -0.54 0.00 3.59 2.32 0.00 -1.26 -0.77 105.19 108.52 2k7j n GLY 38 Ca 0.04 -0.19 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 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 0.00 -0.21 -0.04 1.61 -2.14 -1.26 -4.15 118.94 112.74 2k7j s TRP 39 Ca 0.00 0.27 -0.04 0.00 2.66 0.00 0.00 56.10 58.99 2k7j s TRP 39 Cb 0.00 0.49 0.01 0.00 -3.10 0.00 0.00 33.47 30.88 2k7j s TRP 39 CO 0.00 -0.25 0.11 0.54 -2.66 0.00 0.00 176.95 174.70 2k7j s VAL 40 N -1.76 -0.00 0.07 -0.66 0.11 -1.21 -3.19 120.40 113.76 2k7j s VAL 40 Ca 0.05 0.02 -0.23 0.00 -2.93 0.00 0.00 61.98 58.89 2k7j s VAL 40 Cb -0.01 -0.17 0.06 0.00 -1.53 0.00 0.00 36.38 34.73 2k7j s VAL 40 CO -0.04 0.01 0.55 -1.58 -3.33 0.00 0.00 175.10 170.71 2k7j s GLN 41 N 0.16 1.11 -0.44 1.54 0.74 -0.29 -1.63 119.66 120.85 2k7j s GLN 41 Ca -0.01 -0.28 -0.08 0.00 0.05 0.00 0.00 55.36 55.04 2k7j s GLN 41 Cb -0.02 0.51 0.10 0.00 1.10 0.00 0.00 33.01 34.71 2k7j s GLN 41 CO -0.00 -0.42 0.29 1.21 -0.55 0.00 0.00 175.29 175.81 2k7j s ASN 42 N -2.17 5.60 1.29 6.67 2.47 -1.26 -0.23 114.94 127.32 2k7j s ASN 42 Ca -0.03 -1.79 -0.20 0.00 0.42 0.00 0.00 52.86 51.25 2k7j s ASN 42 Cb -0.00 -1.97 0.32 0.00 -1.45 0.00 0.00 41.25 38.14 2k7j s ASN 42 CO -0.04 -0.62 1.02 0.42 -3.72 0.00 0.00 177.10 174.16 2k7j s THR 43 N 1.35 1.48 -0.07 -5.21 -4.23 -1.06 -4.97 115.64 102.92 2k7j s THR 43 Ca 0.05 0.00 0.14 0.00 -1.18 0.00 0.00 61.69 60.70 2k7j s THR 43 Cb -0.25 -2.25 -0.16 0.00 1.34 0.00 0.00 72.50 71.18 2k7j s THR 43 CO -0.00 0.00 0.86 -0.78 -0.54 0.00 0.00 174.62 174.16 2k7j h ASP 44 N -2.96 0.00 -0.21 3.99 3.58 -1.98 -3.37 116.42 115.47 2k7j h ASP 44 Ca -0.47 0.00 0.05 0.00 0.42 0.00 0.00 57.03 57.04 2k7j h ASP 44 Cb 1.32 0.00 -0.05 0.00 1.72 0.00 0.00 39.33 42.32 2k7j h ASP 44 CO 0.34 0.78 -0.13 -0.09 -2.88 0.00 0.00 179.24 177.26 2k7j h ARG 45 N 0.00 -0.12 0.00 0.28 9.65 -2.04 -3.46 114.38 118.70 2k7j h ARG 45 Ca -0.18 0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.71 2k7j h ARG 45 Cb 1.76 0.03 0.00 0.00 -1.39 0.00 0.00 29.97 30.36 2k7j h ARG 45 CO 0.07 -0.08 0.00 0.41 2.80 0.00 0.00 179.97 183.17 2k7j n GLY 46 N -1.29 0.20 3.27 2.80 0.00 -1.26 -5.08 105.19 103.84 2k7j n GLY 46 Ca -0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.40 0.08 -0.34 2.61 -4.23 -1.26 -4.50 115.64 107.60 2k7j s THR 47 Ca 0.00 -0.68 -0.19 0.00 -1.18 0.00 0.00 61.69 59.64 2k7j s THR 47 Cb 0.00 -1.01 -0.00 0.00 1.34 0.00 0.00 72.50 72.83 2k7j s THR 47 CO 0.00 -0.38 0.58 -0.69 -0.54 0.00 0.00 174.62 173.60 2k7j s VAL 48 N -2.84 4.95 -0.42 2.29 1.01 -0.91 -2.57 120.40 121.91 2k7j s VAL 48 Ca -0.03 0.54 -0.24 0.00 0.00 0.00 0.00 61.98 62.25 2k7j s VAL 48 Cb 0.00 -4.01 0.02 0.00 0.00 0.00 0.00 36.38 32.39 2k7j s VAL 48 CO -0.05 -0.23 0.86 -1.10 0.00 0.00 0.00 175.10 174.58 2k7j s GLN 49 N 2.55 3.63 0.12 2.72 -0.21 0.68 -2.50 119.66 126.65 2k7j s GLN 49 Ca 0.22 0.23 -0.24 0.00 0.02 0.00 0.00 55.36 55.59 2k7j s GLN 49 Cb -0.15 -3.87 0.08 0.00 1.00 0.00 0.00 33.01 30.06 2k7j s GLN 49 CO 0.14 -1.05 0.68 0.20 -2.12 0.00 0.00 175.29 173.13 2k7j s GLY 50 N 2.06 -0.57 0.36 3.09 0.00 -0.96 -1.13 107.32 110.17 2k7j s GLY 50 Ca 0.34 0.61 0.03 0.00 0.00 0.00 0.00 44.72 45.71 2k7j s GLY 50 CO 0.22 0.20 0.11 -1.59 0.00 0.00 0.00 173.10 172.04 2k7j s LYS 51 N -3.59 1.77 -0.44 2.90 0.00 -1.19 -1.87 119.74 117.33 2k7j s LYS 51 Ca 0.02 -2.04 0.03 0.00 0.00 0.00 0.00 55.97 53.98 2k7j s LYS 51 Cb -0.01 -0.60 0.12 0.00 0.00 0.00 0.00 37.83 37.34 2k7j s LYS 51 CO -0.12 -0.38 0.20 -0.51 0.00 0.00 0.00 175.35 174.55 2k7j s LEU 52 N -3.52 3.50 -0.18 2.77 1.43 0.18 -4.50 118.68 118.37 2k7j s LEU 52 Ca 0.30 -2.58 -0.19 0.00 -1.03 0.00 0.00 54.13 50.63 2k7j s LEU 52 Cb 0.05 -1.31 -0.03 0.00 0.03 0.00 0.00 46.19 44.92 2k7j s LEU 52 CO 0.15 -0.29 0.52 -1.58 0.23 0.00 0.00 176.35 175.38 2k7j s GLN 53 N 0.36 4.23 0.00 1.70 0.74 0.05 -3.68 119.66 123.05 2k7j s GLN 53 Ca 0.15 0.45 0.00 0.00 0.05 0.00 0.00 55.36 56.01 2k7j s GLN 53 Cb -0.23 -3.53 0.00 0.00 1.10 0.00 0.00 33.01 30.34 2k7j s GLN 53 CO -0.04 -0.08 0.00 0.41 -0.55 0.00 0.00 175.29 175.03 2k7j n GLY 54 N 3.73 0.23 3.77 2.59 0.00 -1.07 -1.24 105.19 113.20 2k7j n GLY 54 Ca -0.05 -1.71 -0.37 0.00 0.00 0.00 0.00 46.02 43.89 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 -1.93 3.85 0.54 1.61 0.04 -1.26 -0.13 135.00 137.72 2k7j s PRO 55 Ca 0.00 1.81 0.20 0.00 0.04 0.00 0.00 61.00 63.05 2k7j s PRO 55 Cb 0.00 -2.50 1.39 0.00 0.04 0.00 0.00 34.50 33.43 2k7j s PRO 55 CO 0.00 -0.49 2.14 0.82 0.04 0.00 0.00 177.00 179.51 2k7j h ILE 56 N 2.02 0.87 -0.80 0.56 2.04 -1.56 -1.35 117.51 119.29 2k7j h ILE 56 Ca -0.49 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.60 2k7j h ILE 56 Cb 1.24 0.95 -0.03 0.00 -0.74 0.00 0.00 36.82 38.25 2k7j h ILE 56 CO 0.61 0.00 0.57 -1.28 0.00 0.00 0.00 178.15 178.05 2k7j h SER 57 N 0.00 0.01 0.00 1.72 0.87 -1.86 -0.55 113.55 113.74 2k7j h SER 57 Ca 0.04 0.00 -0.34 0.00 -1.23 0.00 0.00 61.79 60.26 2k7j h SER 57 Cb 0.17 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.07 2k7j h SER 57 CO -0.00 0.00 -2.28 0.29 -0.53 0.00 0.00 176.83 174.31 2k7j n LYS 58 N -4.30 0.67 -0.19 2.24 4.01 -0.59 -4.44 118.16 115.55 2k7j n LYS 58 Ca 0.16 0.11 0.14 0.00 -0.51 0.00 0.00 58.31 58.21 2k7j n LYS 58 Cb 0.86 -1.46 0.47 0.00 -0.51 0.00 0.00 35.03 34.39 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 0.81 0.00 -0.18 2.07 -0.73 0.25 116.25 118.47 2k7j h VAL 59 Ca -0.50 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 66.84 2k7j h VAL 59 Cb 1.85 0.27 -0.00 0.00 -1.52 0.00 0.00 31.29 31.89 2k7j h VAL 59 CO -0.06 0.09 -0.05 0.03 0.02 0.00 0.00 177.57 177.60 2k7j h ARG 60 N 0.49 0.00 0.14 1.57 2.47 -1.33 -0.68 114.38 117.04 2k7j h ARG 60 Ca 0.39 0.00 -0.35 0.00 -1.26 0.00 0.00 59.98 58.76 2k7j h ARG 60 Cb 0.80 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.11 2k7j h ARG 60 CO -0.14 0.05 -1.82 0.93 0.56 0.00 0.00 179.97 179.56 2k7j h GLU 61 N 0.00 0.29 -0.59 0.04 5.08 -0.76 -3.36 114.58 115.28 2k7j h GLU 61 Ca -0.00 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.77 2k7j h GLU 61 Cb 0.16 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 2k7j h GLU 61 CO 0.01 1.18 -0.03 0.52 -1.00 0.00 0.00 179.01 179.68 2k7j h MET 62 N 0.08 1.06 -0.14 2.33 2.86 -0.91 0.23 114.93 120.44 2k7j h MET 62 Ca -0.36 -0.35 0.04 0.00 -2.06 0.00 0.00 59.70 56.97 2k7j h MET 62 Cb 2.05 -0.09 -0.01 0.00 0.06 0.00 0.00 31.60 33.62 2k7j h MET 62 CO 0.13 1.05 0.17 -0.56 1.06 0.00 0.00 176.91 178.76 2k7j h GLN 63 N 0.96 0.00 0.00 1.72 3.07 -1.29 0.37 115.11 119.94 2k7j h GLN 63 Ca 0.16 0.00 -0.31 0.00 0.09 0.00 0.00 58.65 58.59 2k7j h GLN 63 Cb 0.59 0.00 -0.06 0.00 0.08 0.00 0.00 27.48 28.09 2k7j h GLN 63 CO 0.04 0.00 -2.26 1.63 0.09 0.00 0.00 178.83 178.32 2k7j n LYS 64 N -3.73 0.87 0.23 0.06 5.02 -0.95 -3.19 118.16 116.48 2k7j n LYS 64 Ca 0.01 -0.03 0.12 0.00 -2.02 0.00 0.00 58.31 56.38 2k7j n LYS 64 Cb 0.28 -1.49 0.48 0.00 -0.02 0.00 0.00 35.03 34.28 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 0.40 -0.55 115.95 121.98 2k7j h TRP 65 Ca -0.46 0.00 -0.04 0.00 2.06 0.00 0.00 58.89 60.44 2k7j h TRP 65 Cb 2.04 0.00 -0.01 0.00 -1.00 0.00 0.00 29.16 30.20 2k7j h TRP 65 CO 0.00 0.16 -1.89 1.28 -3.56 0.00 0.00 178.44 174.44 2k7j n LEU 66 N -3.29 0.00 -0.06 -4.49 4.77 0.03 -3.23 117.00 110.73 2k7j n LEU 66 Ca 0.01 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2k7j n LEU 66 Cb 0.42 0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.55 2k7j n LEU 66 CO 0.32 0.06 -0.19 -0.08 -1.33 0.00 0.00 177.39 176.17 2k7j h GLU 67 N 0.00 0.00 0.05 3.23 4.81 -1.50 -3.43 114.58 117.75 2k7j h GLU 67 Ca -0.07 0.00 -0.20 0.00 -0.13 0.00 0.00 59.36 58.96 2k7j h GLU 67 Cb 1.01 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 2k7j h GLU 67 CO 0.00 0.10 -1.07 1.79 -0.73 0.00 0.00 179.01 179.10 2k7j h THR 68 N -1.00 1.14 -2.85 0.32 1.35 -1.37 -3.45 112.91 107.06 2k7j h THR 68 Ca -0.02 -2.31 -0.45 0.00 -0.55 0.00 0.00 66.41 63.08 2k7j h THR 68 Cb 0.38 2.68 0.05 0.00 -1.73 0.00 0.00 68.15 69.53 2k7j h THR 68 CO -0.01 0.55 0.02 -0.13 -0.25 0.00 0.00 175.52 175.70 2k7j s ARG 69 N -2.38 2.57 0.00 4.72 1.81 -0.90 -4.92 118.95 119.83 2k7j s ARG 69 Ca -0.23 -0.60 0.00 0.00 -1.72 0.00 0.00 55.73 53.18 2k7j s ARG 69 Cb 0.03 -2.42 0.00 0.00 -0.45 0.00 0.00 34.95 32.11 2k7j s ARG 69 CO 0.69 -0.75 0.00 0.41 -0.68 0.00 0.00 175.30 174.96 2k7j n GLY 70 N -2.43 -0.88 3.78 -3.53 0.00 -1.20 -3.73 105.19 97.20 2k7j n GLY 70 Ca 0.07 -0.70 -0.30 0.00 0.00 0.00 0.00 46.02 45.08 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 4.50 0.30 1.61 0.01 -1.26 -4.96 113.70 109.90 2k7j s SER 71 Ca 0.00 1.57 0.08 0.00 1.31 0.00 0.00 55.95 58.92 2k7j s SER 71 Cb 0.00 -2.32 0.46 0.00 0.21 0.00 0.00 66.02 64.36 2k7j s SER 71 CO 0.00 -2.00 1.69 1.55 0.41 0.00 0.00 173.24 174.89 2k7j h PRO 72 N -1.11 0.14 0.00 12.44 0.13 -2.01 -3.35 132.00 138.24 2k7j h PRO 72 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 2k7j h PRO 72 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2k7j h PRO 72 CO 0.55 0.59 -0.28 0.93 -0.23 0.00 0.00 178.00 179.56 2k7j h GLU 73 N 0.12 0.00 -7.13 0.86 4.39 -1.98 -3.47 114.58 107.36 2k7j h GLU 73 Ca 0.01 0.00 -0.54 0.00 0.34 0.00 0.00 59.36 59.17 2k7j h GLU 73 Cb 0.88 0.00 0.14 0.00 -0.10 0.00 0.00 28.75 29.67 2k7j h GLU 73 CO 0.07 0.00 0.45 -1.54 -1.16 0.00 0.00 179.01 176.83 2k7j s SER 74 N -5.24 4.73 -0.02 1.42 1.04 -1.26 -5.04 113.70 109.33 2k7j s SER 74 Ca -0.08 2.42 0.04 0.00 0.48 0.00 0.00 55.95 58.81 2k7j s SER 74 Cb 0.01 -2.60 -0.01 0.00 0.10 0.00 0.00 66.02 63.52 2k7j s SER 74 CO 0.12 -1.91 -0.14 -1.00 0.98 0.00 0.00 173.24 171.29 2k7j s HIS 75 N -1.70 1.31 -0.23 5.02 3.76 -1.26 -4.31 115.29 117.89 2k7j s HIS 75 Ca 0.77 -0.27 -0.05 0.00 -0.15 0.00 0.00 55.06 55.36 2k7j s HIS 75 Cb -0.31 -0.86 -0.01 0.00 1.11 0.00 0.00 32.58 32.51 2k7j s HIS 75 CO 0.39 -0.05 -0.01 0.42 -0.85 0.00 0.00 174.74 174.64 2k7j s ILE 76 N -0.23 3.64 -0.13 0.60 1.01 -1.26 -1.79 121.20 123.04 2k7j s ILE 76 Ca 0.03 -0.40 0.19 0.00 0.00 0.00 0.00 60.65 60.47 2k7j s ILE 76 Cb -0.07 -2.67 -0.26 0.00 0.01 0.00 0.00 42.46 39.47 2k7j s ILE 76 CO -0.00 0.40 0.32 -0.67 0.00 0.00 0.00 174.94 175.00 2k7j n ASP 77 N 4.78 0.14 -3.56 3.58 2.03 -1.26 -4.99 116.55 117.27 2k7j n ASP 77 Ca -0.18 0.06 -0.14 0.00 0.52 0.00 0.00 54.79 55.06 2k7j n ASP 77 Cb 0.51 1.18 -0.06 0.00 -0.72 0.00 0.00 41.12 42.03 2k7j n ASP 77 CO 0.00 0.00 0.00 -1.59 -1.92 0.00 0.00 177.20 173.69 2k7j s LYS 78 N -2.89 0.78 0.34 -0.67 -2.85 -1.26 -5.05 119.74 108.14 2k7j s LYS 78 Ca -0.08 0.29 0.05 0.00 -1.00 0.00 0.00 55.97 55.23 2k7j s LYS 78 Cb 0.09 0.37 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2k7j s LYS 78 CO 0.85 -0.22 0.33 0.00 0.10 0.00 0.00 175.35 176.41 2k7j s ALA 79 N -0.92 1.64 0.29 0.59 0.00 -1.26 -2.83 121.76 119.27 2k7j s ALA 79 Ca -0.05 -1.97 -0.19 0.00 0.00 0.00 0.00 51.96 49.76 2k7j s ALA 79 Cb -0.01 1.41 0.07 0.00 0.00 0.00 0.00 23.12 24.58 2k7j s ALA 79 CO 0.04 -0.69 0.91 -0.80 0.00 0.00 0.00 175.76 175.21 2k7j s ASN 80 N -3.35 0.00 -0.02 0.00 0.02 -1.26 -4.98 114.94 105.36 2k7j s ASN 80 Ca 0.39 -0.93 -0.09 0.00 -1.02 0.00 0.00 52.86 51.21 2k7j s ASN 80 Cb 0.02 0.69 0.01 0.00 0.02 0.00 0.00 41.25 41.98 2k7j s ASN 80 CO 0.26 -1.37 0.18 0.72 0.02 0.00 0.00 177.10 176.92 2k7j s PHE 81 N -2.25 -0.05 0.46 2.20 -0.12 -1.26 -4.77 117.98 112.19 2k7j s PHE 81 Ca 0.18 0.07 -0.01 0.00 -0.05 0.00 0.00 56.93 57.12 2k7j s PHE 81 Cb -0.04 0.00 0.09 0.00 -0.63 0.00 0.00 43.02 42.45 2k7j s PHE 81 CO 0.09 -0.27 0.63 1.63 -0.05 0.00 0.00 175.22 177.24 2k7j n LYS 82 N 1.71 0.07 -2.24 1.99 4.76 -1.22 -4.98 118.16 118.26 2k7j n LYS 82 Ca -0.21 -1.61 -0.37 0.00 -2.87 0.00 0.00 58.31 53.26 2k7j n LYS 82 Cb 0.56 -0.45 -0.03 0.00 -1.84 0.00 0.00 35.03 33.27 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 -3.52 5.64 1.11 4.39 3.84 -1.26 -4.88 114.94 120.26 2k7j s ASN 83 Ca 0.41 -0.29 -0.19 0.00 0.21 0.00 0.00 52.86 53.00 2k7j s ASN 83 Cb -0.02 -2.55 0.10 0.00 -0.55 0.00 0.00 41.25 38.23 2k7j s ASN 83 CO 0.27 -2.20 -0.00 -1.84 -2.79 0.00 0.00 177.10 170.54 2k7j n GLU 84 N 9.14 -1.53 -3.66 0.43 0.00 -1.26 -4.91 120.64 118.85 2k7j n GLU 84 Ca 0.21 -0.43 -0.18 0.00 0.00 0.00 0.00 57.16 56.76 2k7j n GLU 84 Cb 0.50 -1.70 -0.17 0.00 0.00 0.00 0.00 31.44 30.08 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 -3.43 -0.02 -0.31 3.44 2.47 0.02 -4.95 119.74 116.97 2k7j s LYS 85 Ca 0.56 0.46 -0.29 0.00 -1.56 0.00 0.00 55.97 55.14 2k7j s LYS 85 Cb -0.12 -0.43 -0.01 0.00 -1.46 0.00 0.00 37.83 35.81 2k7j s LYS 85 CO 0.66 -0.33 1.49 0.08 0.16 0.00 0.00 175.35 177.41 2k7j s VAL 86 N 2.23 3.85 0.54 4.02 1.01 -1.26 -0.49 120.40 130.31 2k7j s VAL 86 Ca 0.04 0.93 0.04 0.00 0.00 0.00 0.00 61.98 63.00 2k7j s VAL 86 Cb -0.12 -3.96 0.03 0.00 0.00 0.00 0.00 36.38 32.33 2k7j s VAL 86 CO -0.05 -0.48 0.32 0.27 0.00 0.00 0.00 175.10 175.16 2k7j s ILE 87 N 5.21 1.54 -0.09 2.22 -4.36 -0.93 -4.98 121.20 119.81 2k7j s ILE 87 Ca 0.65 -1.60 0.11 0.00 -0.26 0.00 0.00 60.65 59.56 2k7j s ILE 87 Cb -0.19 -2.14 -0.16 0.00 1.25 0.00 0.00 42.46 41.22 2k7j s ILE 87 CO 0.29 0.00 0.10 0.18 0.24 0.00 0.00 174.94 175.75 2k7j n LEU 88 N -1.67 0.00 -3.88 0.37 4.32 -1.26 -4.43 117.00 110.46 2k7j n LEU 88 Ca -0.05 0.00 -0.09 0.00 -0.02 0.00 0.00 56.01 55.85 2k7j n LEU 88 Cb 0.65 0.22 -0.08 0.00 -1.62 0.00 0.00 43.42 42.59 2k7j n LEU 88 CO 0.39 0.22 -0.12 -0.54 -1.22 0.00 0.00 177.39 176.11 2k7j s LYS 89 N -2.43 0.77 0.53 3.23 1.02 -1.26 -4.92 119.74 116.68 2k7j s LYS 89 Ca -0.06 -0.88 0.02 0.00 0.02 0.00 0.00 55.97 55.08 2k7j s LYS 89 Cb 0.05 0.31 0.03 0.00 -0.52 0.00 0.00 37.83 37.70 2k7j s LYS 89 CO 0.49 -0.23 0.75 -0.51 -0.92 0.00 0.00 175.35 174.93 2k7j s LEU 90 N -2.62 3.32 -0.20 3.17 1.43 -1.26 -5.01 118.68 117.52 2k7j s LEU 90 Ca 0.02 -0.09 0.13 0.00 -1.03 0.00 0.00 54.13 53.16 2k7j s LEU 90 Cb 0.03 -2.81 0.40 0.00 0.03 0.00 0.00 46.19 43.84 2k7j s LEU 90 CO -0.09 -1.10 1.23 -0.67 0.23 0.00 0.00 176.35 175.95 2k7j n ASP 91 N -2.28 1.99 -3.68 2.29 2.03 -1.26 -5.02 116.55 110.63 2k7j n ASP 91 Ca 0.08 -3.67 -0.14 0.00 0.52 0.00 0.00 54.79 51.59 2k7j n ASP 91 Cb 0.60 -0.51 -0.07 0.00 -0.72 0.00 0.00 41.12 40.41 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 -3.14 -0.29 -0.12 -0.67 2.02 -1.26 -5.05 117.35 108.84 2k7j s TYR 92 Ca 0.37 0.38 0.16 0.00 -0.37 0.00 0.00 57.07 57.61 2k7j s TYR 92 Cb 0.35 0.20 -0.23 0.00 -0.40 0.00 0.00 41.96 41.88 2k7j s TYR 92 CO -0.03 -0.51 0.17 0.43 -1.57 0.00 0.00 175.55 174.04 2k7j n SER 93 N 0.86 0.89 -3.63 2.29 7.64 -1.26 -4.95 113.62 115.46 2k7j n SER 93 Ca -0.20 0.00 -0.11 0.00 1.01 0.00 0.00 58.87 59.57 2k7j n SER 93 Cb 0.58 1.22 -0.05 0.00 -1.01 0.00 0.00 64.21 64.94 2k7j n SER 93 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2k7j s ASP 94 N -4.72 -0.27 -0.15 6.43 1.01 -1.26 -4.99 116.67 112.72 2k7j s ASP 94 Ca -0.08 -0.18 -0.29 0.00 0.71 0.00 0.00 52.55 52.71 2k7j s ASP 94 Cb 0.07 0.46 -0.02 0.00 1.01 0.00 0.00 42.92 44.45 2k7j s ASP 94 CO 0.70 -0.79 1.30 0.12 0.21 0.00 0.00 175.17 176.71 2k7j s PHE 95 N -3.31 2.79 0.34 4.23 2.19 -1.26 -4.43 117.98 118.53 2k7j s PHE 95 Ca -0.00 0.94 0.07 0.00 0.33 0.00 0.00 56.93 58.28 2k7j s PHE 95 Cb 0.01 -3.54 -0.03 0.00 -1.31 0.00 0.00 43.02 38.15 2k7j s PHE 95 CO -0.08 -1.88 0.30 -1.14 1.83 0.00 0.00 175.22 174.24 2k7j s GLN 96 N 3.45 2.74 -0.33 10.12 2.00 -1.26 -4.98 119.66 131.40 2k7j s GLN 96 Ca 0.57 -1.28 0.02 0.00 -2.00 0.00 0.00 55.36 52.66 2k7j s GLN 96 Cb -0.23 -2.49 0.09 0.00 0.80 0.00 0.00 33.01 31.18 2k7j s GLN 96 CO 0.17 0.10 0.04 0.42 -0.50 0.00 0.00 175.29 175.51 2k7j s ILE 97 N -2.30 2.49 0.46 -2.34 1.01 -1.26 -3.31 121.20 115.95 2k7j s ILE 97 Ca 0.41 -2.08 -0.25 0.00 0.00 0.00 0.00 60.65 58.74 2k7j s ILE 97 Cb -0.06 -2.71 -0.08 0.00 0.01 0.00 0.00 42.46 39.63 2k7j s ILE 97 CO 0.27 -0.46 1.40 0.52 0.00 0.00 0.00 174.94 176.67 2k7j n VAL 98 N 4.38 2.91 0.94 2.92 0.31 -0.64 -4.97 118.33 124.18 2k7j n VAL 98 Ca -0.02 -0.50 0.08 0.00 -0.01 0.00 0.00 64.34 63.88 2k7j n VAL 98 Cb 0.42 -1.78 0.45 0.00 -0.91 0.00 0.00 33.84 32.02 2k7j n VAL 98 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80