#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7j n ALA 2 N 0.00 0.44 -3.09 4.61 0.00 -1.26 -5.18 120.51 116.04 2k7j n ALA 2 Ca 0.00 -1.79 -0.11 0.00 0.00 0.00 0.00 53.44 51.54 2k7j n ALA 2 Cb 0.00 1.13 -0.04 0.00 0.00 0.00 0.00 19.45 20.54 2k7j n ALA 2 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 2k7j s GLU 3 N -3.38 1.71 0.00 0.00 -1.05 -1.26 -5.09 118.70 109.63 2k7j s GLU 3 Ca 0.12 -1.45 0.00 0.00 -0.15 0.00 0.00 54.97 53.49 2k7j s GLU 3 Cb 0.01 0.46 0.00 0.00 -0.44 0.00 0.00 34.13 34.16 2k7j s GLU 3 CO 0.08 -0.71 0.00 0.41 0.95 0.00 0.00 175.26 175.99 2k7j n GLY 4 N -0.45 -1.58 2.71 -3.83 0.00 -1.26 -4.76 105.19 96.03 2k7j n GLY 4 Ca -0.01 -0.51 -0.41 0.00 0.00 0.00 0.00 46.02 45.09 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 7.42 -4.25 1.61 6.94 -1.26 -4.45 115.26 121.27 2k7j n ASN 5 Ca 0.00 -3.72 -0.43 0.00 -0.02 0.00 0.00 54.58 50.41 2k7j n ASN 5 Cb 0.00 -1.15 -0.04 0.00 -2.36 0.00 0.00 39.78 36.23 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 2k7j s THR 6 N -4.48 5.03 -0.08 5.53 2.01 -1.26 -5.03 115.64 117.35 2k7j s THR 6 Ca 0.43 -2.81 -0.30 0.00 0.31 0.00 0.00 61.69 59.32 2k7j s THR 6 Cb 0.26 -4.13 -0.03 0.00 0.01 0.00 0.00 72.50 68.61 2k7j s THR 6 CO -0.21 -1.01 1.17 -0.76 -0.69 0.00 0.00 174.62 173.13 2k7j s LEU 7 N -0.16 4.25 0.00 4.42 1.43 -1.26 -0.88 118.68 126.48 2k7j s LEU 7 Ca 0.20 1.74 0.05 0.00 -1.03 0.00 0.00 54.13 55.08 2k7j s LEU 7 Cb -0.13 -3.55 -0.02 0.00 0.03 0.00 0.00 46.19 42.52 2k7j s LEU 7 CO -0.08 -0.59 0.17 2.30 0.23 0.00 0.00 176.35 178.38 2k7j n ILE 8 N 4.73 0.00 -3.34 -0.59 -5.35 0.60 -1.85 119.36 113.56 2k7j n ILE 8 Ca 0.11 -1.78 -0.08 0.00 -0.27 0.00 0.00 62.75 60.73 2k7j n ILE 8 Cb 0.46 0.79 -0.08 0.00 -1.74 0.00 0.00 39.64 39.07 2k7j n ILE 8 CO 0.00 0.00 0.00 -0.44 -1.76 0.00 0.00 176.55 174.35 2k7j s SER 9 N -2.77 0.15 -0.05 7.28 0.01 0.58 -1.51 113.70 117.39 2k7j s SER 9 Ca 0.24 0.26 0.03 0.00 1.31 0.00 0.00 55.95 57.78 2k7j s SER 9 Cb 0.01 1.17 0.01 0.00 0.21 0.00 0.00 66.02 67.42 2k7j s SER 9 CO 0.17 -0.30 -0.12 0.54 0.41 0.00 0.00 173.24 173.94 2k7j s VAL 10 N 2.56 1.08 -0.01 3.43 0.11 -1.26 -0.20 120.40 126.11 2k7j s VAL 10 Ca 0.13 -0.47 0.08 0.00 -2.93 0.00 0.00 61.98 58.78 2k7j s VAL 10 Cb -0.15 -0.98 -0.02 0.00 -1.53 0.00 0.00 36.38 33.70 2k7j s VAL 10 CO -0.16 0.34 -0.25 1.51 -3.33 0.00 0.00 175.10 173.21 2k7j s ASP 11 N 0.48 2.89 0.26 3.54 -4.77 -1.26 -1.55 116.67 116.26 2k7j s ASP 11 Ca -0.10 -0.46 -0.05 0.00 -3.30 0.00 0.00 52.55 48.63 2k7j s ASP 11 Cb -0.14 -0.31 -0.02 0.00 -1.09 0.00 0.00 42.92 41.37 2k7j s ASP 11 CO 0.03 0.29 0.36 -0.72 0.70 0.00 0.00 175.17 175.82 2k7j s TYR 12 N -0.61 0.87 -0.56 2.11 -0.85 0.14 -3.75 117.35 114.68 2k7j s TYR 12 Ca 0.10 -1.13 0.04 0.00 -0.52 0.00 0.00 57.07 55.56 2k7j s TYR 12 Cb -0.09 -0.17 0.14 0.00 0.38 0.00 0.00 41.96 42.22 2k7j s TYR 12 CO -0.00 -0.91 0.33 -1.83 -1.52 0.00 0.00 175.55 171.62 2k7j s GLU 13 N -3.79 2.02 0.42 -3.49 -1.05 -1.26 -0.11 118.70 111.45 2k7j s GLU 13 Ca 0.31 -2.77 -0.24 0.00 -0.15 0.00 0.00 54.97 52.12 2k7j s GLU 13 Cb 0.02 -3.19 -0.11 0.00 -0.44 0.00 0.00 34.13 30.41 2k7j s GLU 13 CO 0.14 -1.18 0.93 -0.89 0.95 0.00 0.00 175.26 175.21 2k7j n ILE 14 N 2.80 2.38 -2.67 1.83 2.08 -0.97 -4.59 119.36 120.22 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 -1.04 0.00 0.00 -0.75 0.00 0.00 39.64 38.19 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 -0.59 -3.16 0.00 1.39 3.72 -1.16 -2.18 117.46 115.47 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 1.30 2.77 1.37 0.00 -1.26 -4.60 105.19 109.76 2k7j n GLY 16 Ca 0.00 -2.05 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 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 1.12 2.50 -2.16 1.61 2.85 -0.39 -4.67 118.16 119.02 2k7j n LYS 17 Ca 0.00 -2.20 -0.34 0.00 -1.05 0.00 0.00 58.31 54.71 2k7j n LYS 17 Cb 0.00 -3.02 0.02 0.00 -0.65 0.00 0.00 35.03 31.38 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 5.06 3.08 -3.54 0.58 0.24 -1.26 -3.87 118.33 118.62 2k7j n VAL 18 Ca 0.54 -4.58 -0.42 0.00 -2.04 0.00 0.00 64.34 57.85 2k7j n VAL 18 Cb 0.34 -1.25 -0.09 0.00 -1.47 0.00 0.00 33.84 31.37 2k7j n VAL 18 CO 0.00 0.00 0.00 -1.10 -2.14 0.00 0.00 176.83 173.59 2k7j s GLN 19 N -3.85 2.74 -1.55 7.34 -0.21 -1.26 -4.57 119.66 118.30 2k7j s GLN 19 Ca 0.50 -1.39 -0.14 0.00 0.02 0.00 0.00 55.36 54.35 2k7j s GLN 19 Cb 0.42 -3.88 0.10 0.00 1.00 0.00 0.00 33.01 30.64 2k7j s GLN 19 CO -0.32 -0.95 0.94 0.41 -2.12 0.00 0.00 175.29 173.24 2k7j n GLY 20 N 5.01 -0.49 1.14 3.09 0.00 -1.26 -4.86 105.19 107.83 2k7j n GLY 20 Ca -0.11 0.18 0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 -4.62 2.49 -3.69 1.61 0.24 -1.26 -4.96 118.33 108.14 2k7j n VAL 21 Ca 0.05 -2.23 -0.23 0.00 -2.04 0.00 0.00 64.34 59.89 2k7j n VAL 21 Cb 0.52 -0.30 0.03 0.00 -1.47 0.00 0.00 33.84 32.62 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 -0.79 -1.92 0.21 6.34 -0.00 -1.26 -4.46 117.46 115.58 2k7j n PHE 22 Ca 0.30 0.78 0.06 0.00 -0.00 0.00 0.00 57.45 58.59 2k7j n PHE 22 Cb 1.03 -4.19 0.23 0.00 -0.00 0.00 0.00 39.48 36.55 2k7j n PHE 22 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 2k7j n PHE 23 N -4.20 0.93 -1.82 -5.13 7.35 -1.26 -4.14 117.46 109.19 2k7j n PHE 23 Ca -0.26 -0.37 -0.28 0.00 -0.76 0.00 0.00 57.45 55.78 2k7j n PHE 23 Cb 0.66 -0.17 0.04 0.00 0.35 0.00 0.00 39.48 40.36 2k7j n PHE 23 CO 0.00 0.00 0.00 2.89 -0.76 0.00 0.00 176.76 178.89 2k7j n ARG 24 N 0.63 3.31 0.00 -4.13 1.85 -1.26 -4.37 116.66 112.68 2k7j n ARG 24 Ca 0.16 -3.90 0.00 0.00 -1.00 0.00 0.00 57.85 53.12 2k7j n ARG 24 Cb 0.60 -2.28 0.00 0.00 -1.05 0.00 0.00 32.46 29.73 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2k7j n LYS 25 N -0.77 0.51 0.01 2.89 4.81 -1.26 -4.73 118.16 119.63 2k7j n LYS 25 Ca 0.50 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.91 2k7j n LYS 25 Cb 0.85 -0.95 -0.10 0.00 0.02 0.00 0.00 35.03 34.84 2k7j n LYS 25 CO 0.00 0.00 0.00 1.58 1.17 0.00 0.00 177.40 180.15 2k7j n HIS 26 N -2.33 0.95 0.26 5.64 -0.00 -1.26 -3.67 115.22 114.81 2k7j n HIS 26 Ca 0.00 0.33 0.12 0.00 0.46 0.00 0.00 57.72 58.62 2k7j n HIS 26 Cb 0.45 -1.11 0.73 0.00 -0.12 0.00 0.00 29.99 29.94 2k7j n HIS 26 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 2k7j h THR 27 N 0.00 0.69 0.00 3.57 1.03 -1.86 -2.08 112.91 114.26 2k7j h THR 27 Ca -0.21 -0.39 -0.25 0.00 -0.01 0.00 0.00 66.41 65.54 2k7j h THR 27 Cb 1.73 1.24 -0.04 0.00 -1.07 0.00 0.00 68.15 70.01 2k7j h THR 27 CO 0.06 0.09 -1.52 0.06 -0.01 0.00 0.00 175.52 174.20 2k7j h GLN 28 N 0.00 0.00 0.35 0.00 -0.00 -1.85 -3.29 115.11 110.32 2k7j h GLN 28 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.63 2k7j h GLN 28 Cb 0.23 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.71 2k7j h GLN 28 CO 0.01 0.54 -0.17 0.00 -0.00 0.00 0.00 178.83 179.21 2k7j h ALA 29 N 1.08 -0.47 -0.55 0.06 0.00 -1.47 -0.53 119.26 117.38 2k7j h ALA 29 Ca -0.22 -0.18 0.08 0.00 0.00 0.00 0.00 54.91 54.59 2k7j h ALA 29 Cb 1.89 0.18 -0.03 0.00 0.00 0.00 0.00 17.79 19.83 2k7j h ALA 29 CO 0.08 -0.61 0.37 0.93 0.00 0.00 0.00 179.25 180.03 2k7j h GLU 30 N -0.78 0.41 0.00 0.00 4.39 -1.60 -0.45 114.58 116.55 2k7j h GLU 30 Ca -0.05 -0.02 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2k7j h GLU 30 Cb 0.51 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.05 2k7j h GLU 30 CO 0.08 0.27 -0.55 0.78 -1.16 0.00 0.00 179.01 178.43 2k7j h GLY 31 N 0.43 0.00 1.65 -3.84 0.00 -1.60 -2.57 103.07 97.13 2k7j h GLY 31 Ca 0.25 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.39 2k7j h GLY 31 CO -0.07 0.00 -0.76 0.50 0.00 0.00 0.00 176.54 176.21 2k7j h LYS 32 N 0.00 0.34 0.06 4.80 1.79 0.56 0.16 116.57 124.28 2k7j h LYS 32 Ca -0.01 -0.29 -0.24 0.00 -2.18 0.00 0.00 60.65 57.93 2k7j h LYS 32 Cb 1.31 0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.02 2k7j h LYS 32 CO 0.07 0.95 -1.10 0.87 -1.08 0.00 0.00 179.45 179.16 2k7j h LYS 33 N 0.22 0.14 0.09 3.15 1.79 -1.41 -3.33 116.57 117.22 2k7j h LYS 33 Ca -0.03 -0.23 -0.21 0.00 -2.18 0.00 0.00 60.65 58.00 2k7j h LYS 33 Cb 1.34 0.09 0.02 0.00 -1.58 0.00 0.00 32.23 32.10 2k7j h LYS 33 CO 0.13 1.10 -0.86 -0.07 -1.08 0.00 0.00 179.45 178.66 2k7j h LEU 34 N 0.04 0.61 0.00 2.94 3.38 -1.46 -3.48 115.31 117.34 2k7j h LEU 34 Ca -0.07 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.05 2k7j h LEU 34 Cb 1.84 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.40 2k7j h LEU 34 CO 0.16 1.40 0.00 0.61 0.09 0.00 0.00 178.44 180.70 2k7j n GLY 35 N 1.38 1.46 3.97 0.83 0.00 -0.04 -4.97 105.19 107.82 2k7j n GLY 35 Ca -0.13 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 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 3.20 0.00 0.99 1.43 -0.70 -4.88 118.68 118.72 2k7j s LEU 36 Ca 0.00 0.02 0.02 0.00 -1.03 0.00 0.00 54.13 53.14 2k7j s LEU 36 Cb 0.00 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.37 2k7j s LEU 36 CO 0.00 -1.24 0.08 1.33 0.23 0.00 0.00 176.35 176.75 2k7j n VAL 37 N -2.44 0.00 0.00 -1.59 0.24 0.44 -3.15 118.33 111.83 2k7j n VAL 37 Ca 0.08 -0.82 0.00 0.00 -2.04 0.00 0.00 64.34 61.57 2k7j n VAL 37 Cb 0.60 0.37 0.00 0.00 -1.47 0.00 0.00 33.84 33.33 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 0.34 0.42 3.63 7.63 0.00 -1.26 -1.63 105.19 114.31 2k7j n GLY 38 Ca 0.01 -1.17 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 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 -0.01 -0.20 -0.02 1.61 -2.14 -1.26 -3.98 118.94 112.95 2k7j s TRP 39 Ca 0.00 0.40 0.04 0.00 2.66 0.00 0.00 56.10 59.20 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 -0.14 -0.15 0.54 -2.66 0.00 0.00 176.95 174.54 2k7j s VAL 40 N -0.59 1.19 -0.28 -0.66 0.11 -1.25 -3.29 120.40 115.63 2k7j s VAL 40 Ca 0.05 -0.62 -0.22 0.00 -2.93 0.00 0.00 61.98 58.25 2k7j s VAL 40 Cb -0.02 -1.01 0.09 0.00 -1.53 0.00 0.00 36.38 33.91 2k7j s VAL 40 CO -0.07 0.34 0.82 -1.58 -3.33 0.00 0.00 175.10 171.28 2k7j s GLN 41 N -0.20 0.68 -0.17 1.54 0.74 -1.24 -2.42 119.66 118.58 2k7j s GLN 41 Ca 0.03 0.91 -0.23 0.00 0.05 0.00 0.00 55.36 56.11 2k7j s GLN 41 Cb -0.07 0.28 -0.02 0.00 1.10 0.00 0.00 33.01 34.29 2k7j s GLN 41 CO 0.00 -0.10 0.72 0.54 -0.55 0.00 0.00 175.29 175.90 2k7j s ASN 42 N 0.69 6.82 0.97 6.67 4.22 -1.26 -2.05 114.94 131.00 2k7j s ASN 42 Ca -0.02 1.00 -0.08 0.00 -2.14 0.00 0.00 52.86 51.62 2k7j s ASN 42 Cb -0.05 -2.40 0.12 0.00 1.28 0.00 0.00 41.25 40.20 2k7j s ASN 42 CO -0.07 -0.31 0.70 0.35 -2.04 0.00 0.00 177.10 175.74 2k7j n THR 43 N 4.62 0.00 -0.02 0.54 -2.24 0.67 -4.98 114.28 112.87 2k7j n THR 43 Ca 0.01 -0.55 -0.05 0.00 -2.27 0.00 0.00 64.05 61.19 2k7j n THR 43 Cb 0.49 -1.69 -0.13 0.00 -2.10 0.00 0.00 70.33 66.90 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 -3.43 0.61 -0.25 3.42 8.00 -1.26 -4.23 116.55 119.41 2k7j n ASP 44 Ca 0.09 0.28 -0.03 0.00 0.71 0.00 0.00 54.79 55.84 2k7j n ASP 44 Cb 0.31 0.39 0.08 0.00 -0.02 0.00 0.00 41.12 41.88 2k7j n ASP 44 CO 0.00 0.00 0.00 0.03 -0.39 0.00 0.00 177.20 176.84 2k7j h ARG 45 N 0.00 0.85 0.00 -1.24 3.08 -2.02 -3.46 114.38 111.59 2k7j h ARG 45 Ca -0.29 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 59.71 2k7j h ARG 45 Cb 1.87 -0.19 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2k7j h ARG 45 CO 0.05 0.56 0.00 0.41 -1.07 0.00 0.00 179.97 179.92 2k7j n GLY 46 N -1.29 0.39 3.52 0.04 0.00 -1.26 -5.17 105.19 101.41 2k7j n GLY 46 Ca 0.08 0.00 -0.09 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 -0.63 0.01 -0.26 2.61 -4.23 -1.26 -4.48 115.64 107.40 2k7j s THR 47 Ca 0.00 -1.39 0.02 0.00 -1.18 0.00 0.00 61.69 59.15 2k7j s THR 47 Cb 0.00 -2.11 0.07 0.00 1.34 0.00 0.00 72.50 71.80 2k7j s THR 47 CO 0.00 -0.06 -0.07 -0.69 -0.54 0.00 0.00 174.62 173.26 2k7j s VAL 48 N -4.01 1.92 -0.72 2.29 1.01 -0.93 -0.24 120.40 119.73 2k7j s VAL 48 Ca 0.21 -1.56 -0.26 0.00 0.00 0.00 0.00 61.98 60.37 2k7j s VAL 48 Cb 0.00 -2.14 -0.02 0.00 0.00 0.00 0.00 36.38 34.23 2k7j s VAL 48 CO 0.07 -0.14 1.80 -1.10 0.00 0.00 0.00 175.10 175.73 2k7j s GLN 49 N 1.20 2.72 0.10 2.72 -0.21 -0.87 -2.29 119.66 123.03 2k7j s GLN 49 Ca -0.05 0.20 0.08 0.00 0.02 0.00 0.00 55.36 55.60 2k7j s GLN 49 Cb -0.19 -4.59 -0.04 0.00 1.00 0.00 0.00 33.01 29.19 2k7j s GLN 49 CO -0.06 -2.81 -0.13 0.20 -2.12 0.00 0.00 175.29 170.36 2k7j s GLY 50 N 7.45 1.75 0.06 3.09 0.00 0.85 -3.67 107.32 116.85 2k7j s GLY 50 Ca 0.63 -1.28 0.06 0.00 0.00 0.00 0.00 44.72 44.13 2k7j s GLY 50 CO 0.13 -1.25 -0.16 1.25 0.00 0.00 0.00 173.10 173.07 2k7j s LYS 51 N -2.14 0.99 -0.63 2.90 2.20 -1.21 -0.69 119.74 121.16 2k7j s LYS 51 Ca 0.20 -0.93 0.05 0.00 -0.36 0.00 0.00 55.97 54.93 2k7j s LYS 51 Cb -0.11 -1.06 0.32 0.00 -1.51 0.00 0.00 37.83 35.47 2k7j s LYS 51 CO 0.12 0.25 1.00 1.28 -0.36 0.00 0.00 175.35 177.64 2k7j n LEU 52 N 1.53 4.65 -4.72 5.43 4.77 -0.60 -4.39 117.00 123.68 2k7j n LEU 52 Ca -0.19 -5.62 -0.42 0.00 -0.03 0.00 0.00 56.01 49.75 2k7j n LEU 52 Cb 0.54 -0.64 -0.03 0.00 -2.33 0.00 0.00 43.42 40.96 2k7j n LEU 52 CO 0.22 2.28 1.17 -1.10 -1.33 0.00 0.00 177.39 178.63 2k7j s GLN 53 N -3.38 4.25 0.00 3.23 -0.21 -0.65 -4.39 119.66 118.51 2k7j s GLN 53 Ca 0.46 2.26 0.00 0.00 0.02 0.00 0.00 55.36 58.11 2k7j s GLN 53 Cb 0.25 -3.18 0.00 0.00 1.00 0.00 0.00 33.01 31.07 2k7j s GLN 53 CO -0.11 -0.54 0.00 0.41 -2.12 0.00 0.00 175.29 172.92 2k7j n GLY 54 N 3.61 0.75 3.77 3.09 0.00 -0.57 -0.42 105.19 115.42 2k7j n GLY 54 Ca 0.13 -1.81 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 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 3.83 0.39 1.61 0.04 -1.26 -0.29 135.00 137.31 2k7j s PRO 55 Ca 0.00 1.80 0.15 0.00 0.04 0.00 0.00 61.00 63.00 2k7j s PRO 55 Cb 0.00 -2.48 0.79 0.00 0.04 0.00 0.00 34.50 32.85 2k7j s PRO 55 CO 0.00 -0.50 1.83 0.82 0.04 0.00 0.00 177.00 179.20 2k7j h ILE 56 N 1.99 1.13 -0.82 0.56 2.04 -1.30 -2.21 117.51 118.91 2k7j h ILE 56 Ca -0.49 -1.25 0.23 0.00 1.00 0.00 0.00 64.86 64.35 2k7j h ILE 56 Cb 1.24 1.70 -0.04 0.00 -0.74 0.00 0.00 36.82 38.99 2k7j h ILE 56 CO 0.61 0.34 0.58 -1.28 0.00 0.00 0.00 178.15 178.41 2k7j h SER 57 N 0.00 0.04 0.00 1.72 0.87 -1.83 -1.38 113.55 112.97 2k7j h SER 57 Ca -0.00 0.00 -0.38 0.00 -1.23 0.00 0.00 61.79 60.18 2k7j h SER 57 Cb 0.67 -0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.56 2k7j h SER 57 CO 0.05 0.02 -2.43 0.29 -0.53 0.00 0.00 176.83 174.22 2k7j n LYS 58 N -4.32 0.65 -0.19 2.24 4.01 -1.07 -4.37 118.16 115.11 2k7j n LYS 58 Ca 0.17 0.13 0.25 0.00 -0.51 0.00 0.00 58.31 58.35 2k7j n LYS 58 Cb 0.86 -1.51 0.66 0.00 -0.51 0.00 0.00 35.03 34.53 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 0.60 -0.57 -0.18 2.07 -0.77 0.22 116.25 117.62 2k7j h VAL 59 Ca -0.56 -0.04 0.14 0.00 0.82 0.00 0.00 66.70 67.05 2k7j h VAL 59 Cb 1.91 0.46 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 2k7j h VAL 59 CO -0.08 0.02 0.40 0.03 0.02 0.00 0.00 177.57 177.97 2k7j h ARG 60 N 0.12 0.15 0.00 1.57 2.47 -1.48 -0.13 114.38 117.10 2k7j h ARG 60 Ca 0.43 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 59.14 2k7j h ARG 60 Cb 1.51 -0.03 0.00 0.00 -1.65 0.00 0.00 29.97 29.79 2k7j h ARG 60 CO -0.06 0.10 -1.68 0.39 0.56 0.00 0.00 179.97 179.28 2k7j n GLU 61 N -4.42 0.56 0.00 0.04 -0.58 0.72 -4.08 120.64 112.88 2k7j n GLU 61 Ca 0.10 -0.12 0.13 0.00 -0.42 0.00 0.00 57.16 56.86 2k7j n GLU 61 Cb 0.53 -1.57 0.64 0.00 -0.57 0.00 0.00 31.44 30.47 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 -2.23 0.19 -0.03 3.49 1.56 -0.14 -2.37 117.12 117.59 2k7j n MET 62 Ca -0.02 0.03 0.00 0.00 -0.27 0.00 0.00 57.70 57.44 2k7j n MET 62 Cb 0.53 -1.50 -0.14 0.00 2.15 0.00 0.00 33.22 34.27 2k7j n MET 62 CO 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 175.97 175.24 2k7j n GLN 63 N -1.40 0.66 0.08 2.12 10.64 -0.71 -4.05 117.38 124.72 2k7j n GLN 63 Ca 0.10 0.01 0.07 0.00 -1.83 0.00 0.00 57.00 55.34 2k7j n GLN 63 Cb 0.27 -1.61 -0.03 0.00 -0.86 0.00 0.00 30.24 28.01 2k7j n GLN 63 CO 0.00 0.00 0.00 0.36 -1.83 0.00 0.00 177.06 175.59 2k7j n LYS 64 N -2.64 0.61 0.17 2.61 2.85 -1.18 -3.24 118.16 117.35 2k7j n LYS 64 Ca -0.16 0.16 0.05 0.00 -1.05 0.00 0.00 58.31 57.31 2k7j n LYS 64 Cb 0.87 -1.82 0.21 0.00 -0.65 0.00 0.00 35.03 33.63 2k7j n LYS 64 CO 0.00 0.00 0.00 -1.49 -0.05 0.00 0.00 177.40 175.86 2k7j h TRP 65 N 0.00 0.00 -0.37 5.58 4.06 -1.65 -3.08 115.95 120.50 2k7j h TRP 65 Ca -0.06 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.89 2k7j h TRP 65 Cb 1.22 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.38 2k7j h TRP 65 CO 0.00 0.40 0.00 1.28 -3.56 0.00 0.00 178.44 176.56 2k7j n LEU 66 N -3.34 3.61 -0.05 -4.49 4.77 -1.25 -3.68 117.00 112.58 2k7j n LEU 66 Ca 0.01 -2.45 -0.08 0.00 -0.03 0.00 0.00 56.01 53.46 2k7j n LEU 66 Cb 0.60 -0.41 -0.03 0.00 -2.33 0.00 0.00 43.42 41.26 2k7j n LEU 66 CO 0.38 0.73 -0.54 1.21 -1.33 0.00 0.00 177.39 177.83 2k7j n GLU 67 N 0.25 0.34 -0.03 3.23 2.13 -1.18 -4.85 120.64 120.53 2k7j n GLU 67 Ca 0.18 0.14 -0.01 0.00 0.66 0.00 0.00 57.16 58.13 2k7j n GLU 67 Cb 0.68 -1.09 -0.09 0.00 0.27 0.00 0.00 31.44 31.21 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 -4.05 0.45 -2.12 6.31 5.66 -1.17 -4.72 114.28 114.65 2k7j n THR 68 Ca -0.13 -0.39 -0.28 0.00 -3.05 0.00 0.00 64.05 60.20 2k7j n THR 68 Cb 0.40 -0.34 0.17 0.00 -1.55 0.00 0.00 70.33 69.01 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 -2.48 0.81 0.00 1.09 3.00 -1.23 -4.90 118.95 115.24 2k7j s ARG 69 Ca -0.05 -0.65 0.00 0.00 0.00 0.00 0.00 55.73 55.03 2k7j s ARG 69 Cb 0.05 -1.97 0.00 0.00 0.00 0.00 0.00 34.95 33.03 2k7j s ARG 69 CO 0.46 -2.22 0.00 0.41 0.00 0.00 0.00 175.30 173.95 2k7j n GLY 70 N -3.55 3.80 3.65 -3.53 0.00 -1.25 -4.62 105.19 99.69 2k7j n GLY 70 Ca 0.16 -1.49 -0.31 0.00 0.00 0.00 0.00 46.02 44.38 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 0.00 2.69 0.51 1.61 0.01 -1.26 -4.90 113.70 112.36 2k7j s SER 71 Ca 0.00 2.06 0.32 0.00 1.31 0.00 0.00 55.95 59.64 2k7j s SER 71 Cb 0.00 -2.52 1.34 0.00 0.21 0.00 0.00 66.02 65.05 2k7j s SER 71 CO 0.00 -3.22 1.95 1.55 0.41 0.00 0.00 173.24 173.93 2k7j h PRO 72 N -1.95 0.00 0.11 12.44 0.13 -1.99 -3.30 132.00 137.43 2k7j h PRO 72 Ca -0.46 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.66 2k7j h PRO 72 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2k7j h PRO 72 CO 0.44 0.00 -0.05 1.49 -0.23 0.00 0.00 178.00 179.64 2k7j h GLU 73 N 0.00 -0.14 -7.50 0.86 4.57 -1.90 -3.46 114.58 107.01 2k7j h GLU 73 Ca 0.00 0.01 -0.44 0.00 -1.18 0.00 0.00 59.36 57.75 2k7j h GLU 73 Cb 0.47 0.03 0.17 0.00 -0.16 0.00 0.00 28.75 29.26 2k7j h GLU 73 CO 0.00 -0.09 0.24 -1.54 -1.18 0.00 0.00 179.01 176.43 2k7j s SER 74 N -3.23 2.15 -0.16 1.04 1.04 -1.24 -5.07 113.70 108.23 2k7j s SER 74 Ca -0.02 0.71 -0.07 0.00 0.48 0.00 0.00 55.95 57.05 2k7j s SER 74 Cb 0.00 -1.04 0.07 0.00 0.10 0.00 0.00 66.02 65.15 2k7j s SER 74 CO 0.06 -3.37 0.36 -2.28 0.98 0.00 0.00 173.24 169.00 2k7j s HIS 75 N -3.24 -0.59 -0.41 5.02 2.46 -1.25 -4.74 115.29 112.54 2k7j s HIS 75 Ca 0.69 1.24 -0.12 0.00 0.47 0.00 0.00 55.06 57.34 2k7j s HIS 75 Cb -0.11 0.19 0.05 0.00 -0.13 0.00 0.00 32.58 32.58 2k7j s HIS 75 CO 0.55 -0.37 0.28 0.42 -2.47 0.00 0.00 174.74 173.14 2k7j s ILE 76 N 1.95 4.76 -0.10 0.89 1.01 -1.26 -1.26 121.20 127.19 2k7j s ILE 76 Ca -0.05 -1.00 0.15 0.00 0.00 0.00 0.00 60.65 59.75 2k7j s ILE 76 Cb -0.10 -3.76 -0.09 0.00 0.01 0.00 0.00 42.46 38.52 2k7j s ILE 76 CO -0.11 -0.39 1.06 -0.78 0.00 0.00 0.00 174.94 174.72 2k7j h ASP 77 N 8.54 0.00 -4.78 3.58 3.58 -1.87 -3.46 116.42 122.01 2k7j h ASP 77 Ca -0.26 0.00 0.01 0.00 0.42 0.00 0.00 57.03 57.20 2k7j h ASP 77 Cb 1.10 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.98 2k7j h ASP 77 CO 0.75 0.64 0.31 -1.59 -2.88 0.00 0.00 179.24 176.46 2k7j s LYS 78 N -2.88 1.00 0.30 0.28 -2.85 -1.26 -5.06 119.74 109.26 2k7j s LYS 78 Ca -0.00 -0.06 -0.17 0.00 -1.00 0.00 0.00 55.97 54.73 2k7j s LYS 78 Cb 0.08 0.47 0.02 0.00 -2.06 0.00 0.00 37.83 36.34 2k7j s LYS 78 CO 0.79 -0.37 0.68 0.00 0.10 0.00 0.00 175.35 176.54 2k7j s ALA 79 N -2.24 -0.81 -0.00 0.59 0.00 -1.26 -3.01 121.76 115.02 2k7j s ALA 79 Ca -0.03 -0.59 -0.29 0.00 0.00 0.00 0.00 51.96 51.05 2k7j s ALA 79 Cb -0.01 0.87 0.11 0.00 0.00 0.00 0.00 23.12 24.09 2k7j s ALA 79 CO -0.01 -0.98 1.27 1.21 0.00 0.00 0.00 175.76 177.25 2k7j s ASN 80 N -2.99 -0.03 0.39 0.00 3.84 -1.26 -5.02 114.94 109.86 2k7j s ASN 80 Ca 0.15 -0.19 0.08 0.00 0.21 0.00 0.00 52.86 53.11 2k7j s ASN 80 Cb -0.04 0.18 -0.03 0.00 -0.55 0.00 0.00 41.25 40.80 2k7j s ASN 80 CO 0.09 -0.34 0.28 0.72 -2.79 0.00 0.00 177.10 175.06 2k7j s PHE 81 N -2.26 2.72 -0.01 0.43 -0.12 -1.26 -4.55 117.98 112.93 2k7j s PHE 81 Ca 0.20 -0.46 -0.01 0.00 -0.05 0.00 0.00 56.93 56.61 2k7j s PHE 81 Cb 0.02 -1.96 -0.00 0.00 -0.63 0.00 0.00 43.02 40.45 2k7j s PHE 81 CO -0.02 0.08 -0.02 1.63 -0.05 0.00 0.00 175.22 176.84 2k7j n LYS 82 N -1.38 0.03 -3.54 1.99 4.76 -1.25 -5.02 118.16 113.76 2k7j n LYS 82 Ca 0.00 0.01 -0.01 0.00 -2.87 0.00 0.00 58.31 55.45 2k7j n LYS 82 Cb 0.62 -0.42 -0.05 0.00 -1.84 0.00 0.00 35.03 33.34 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 -4.39 -0.55 0.28 4.39 3.84 -1.26 -5.08 114.94 112.18 2k7j s ASN 83 Ca -0.01 0.81 -0.14 0.00 0.21 0.00 0.00 52.86 53.73 2k7j s ASN 83 Cb 0.00 1.42 -0.08 0.00 -0.55 0.00 0.00 41.25 42.04 2k7j s ASN 83 CO 0.02 -0.12 0.68 -1.83 -2.79 0.00 0.00 177.10 173.06 2k7j s GLU 84 N 1.84 3.97 -0.15 0.43 1.03 -1.26 -4.20 118.70 120.37 2k7j s GLU 84 Ca -0.06 0.58 0.00 0.00 0.03 0.00 0.00 54.97 55.52 2k7j s GLU 84 Cb -0.05 -2.55 0.02 0.00 -0.80 0.00 0.00 34.13 30.75 2k7j s GLU 84 CO -0.16 0.24 -0.15 0.21 -1.33 0.00 0.00 175.26 174.06 2k7j s LYS 85 N -2.79 2.43 -0.44 -4.83 2.47 0.71 -4.88 119.74 112.41 2k7j s LYS 85 Ca 0.50 -0.61 -0.29 0.00 -1.56 0.00 0.00 55.97 54.02 2k7j s LYS 85 Cb -0.11 -2.19 0.01 0.00 -1.46 0.00 0.00 37.83 34.08 2k7j s LYS 85 CO 0.19 -0.23 1.35 0.08 0.16 0.00 0.00 175.35 176.90 2k7j s VAL 86 N 1.44 3.97 0.47 4.02 1.01 -1.26 -0.31 120.40 129.74 2k7j s VAL 86 Ca 0.05 0.98 0.03 0.00 0.00 0.00 0.00 61.98 63.04 2k7j s VAL 86 Cb -0.13 -4.31 0.03 0.00 0.00 0.00 0.00 36.38 31.97 2k7j s VAL 86 CO -0.11 -0.84 0.25 2.30 0.00 0.00 0.00 175.10 176.70 2k7j n ILE 87 N 7.03 0.00 -0.03 2.22 -5.35 -0.77 -5.00 119.36 117.45 2k7j n ILE 87 Ca 0.15 -1.98 -0.01 0.00 -0.27 0.00 0.00 62.75 60.65 2k7j n ILE 87 Cb 0.48 0.07 -0.09 0.00 -1.74 0.00 0.00 39.64 38.37 2k7j n ILE 87 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 2k7j n LEU 88 N 0.00 0.00 -3.74 7.28 4.77 -1.26 -4.49 117.00 119.55 2k7j n LEU 88 Ca -0.07 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.78 2k7j n LEU 88 Cb 0.55 0.16 -0.10 0.00 -2.33 0.00 0.00 43.42 41.71 2k7j n LEU 88 CO 0.32 0.16 0.05 -1.59 -1.33 0.00 0.00 177.39 174.99 2k7j s LYS 89 N -2.47 0.52 0.06 3.23 0.00 -1.26 -4.97 119.74 114.85 2k7j s LYS 89 Ca -0.05 0.29 -0.24 0.00 0.00 0.00 0.00 55.97 55.97 2k7j s LYS 89 Cb 0.05 0.25 -0.06 0.00 0.00 0.00 0.00 37.83 38.06 2k7j s LYS 89 CO 0.45 -0.10 0.74 -0.51 0.00 0.00 0.00 175.35 175.94 2k7j s LEU 90 N -0.30 4.48 0.38 2.77 1.43 -1.26 -4.96 118.68 121.22 2k7j s LEU 90 Ca -0.04 1.45 0.18 0.00 -1.03 0.00 0.00 54.13 54.69 2k7j s LEU 90 Cb -0.03 -3.20 0.75 0.00 0.03 0.00 0.00 46.19 43.74 2k7j s LEU 90 CO 0.02 0.07 1.78 -2.24 0.23 0.00 0.00 176.35 176.21 2k7j h ASP 91 N 5.38 0.00 -2.40 2.29 2.03 -2.00 -3.44 116.42 118.27 2k7j h ASP 91 Ca -0.45 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.39 2k7j h ASP 91 Cb 1.21 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.70 2k7j h ASP 91 CO 0.70 0.36 -0.33 -0.31 -1.03 0.00 0.00 179.24 178.63 2k7j s TYR 92 N -3.77 3.45 -0.06 4.15 2.02 -1.26 -5.03 117.35 116.85 2k7j s TYR 92 Ca -0.01 0.11 0.08 0.00 -0.37 0.00 0.00 57.07 56.88 2k7j s TYR 92 Cb 0.12 -1.72 -0.12 0.00 -0.40 0.00 0.00 41.96 39.83 2k7j s TYR 92 CO 0.69 0.29 0.09 0.43 -1.57 0.00 0.00 175.55 175.47 2k7j n SER 93 N -1.57 2.82 -3.64 2.29 7.64 -1.26 -4.99 113.62 114.90 2k7j n SER 93 Ca -0.07 0.00 -0.10 0.00 1.01 0.00 0.00 58.87 59.71 2k7j n SER 93 Cb 0.57 0.96 -0.07 0.00 -1.01 0.00 0.00 64.21 64.66 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 -3.75 -0.82 0.27 6.43 1.47 -1.26 -4.97 116.67 114.05 2k7j s ASP 94 Ca -0.04 1.42 -0.29 0.00 1.18 0.00 0.00 52.55 54.81 2k7j s ASP 94 Cb 0.04 1.35 -0.14 0.00 -0.34 0.00 0.00 42.92 43.83 2k7j s ASP 94 CO 0.37 -0.24 1.19 0.33 0.68 0.00 0.00 175.17 177.51 2k7j n PHE 95 N 3.63 1.74 -4.14 2.11 -0.00 -1.19 -4.68 117.46 114.93 2k7j n PHE 95 Ca -0.18 0.60 -0.15 0.00 -0.00 0.00 0.00 57.45 57.73 2k7j n PHE 95 Cb 0.57 -2.34 -0.11 0.00 -0.00 0.00 0.00 39.48 37.59 2k7j n PHE 95 CO 0.00 0.00 0.00 -1.14 -0.00 0.00 0.00 176.76 175.62 2k7j s GLN 96 N -1.20 0.74 0.02 -4.13 0.74 -1.26 -4.95 119.66 109.63 2k7j s GLN 96 Ca 0.62 -1.00 -0.13 0.00 0.05 0.00 0.00 55.36 54.90 2k7j s GLN 96 Cb -0.68 -0.51 -0.06 0.00 1.10 0.00 0.00 33.01 32.87 2k7j s GLN 96 CO 0.57 0.09 0.39 0.42 -0.55 0.00 0.00 175.29 176.21 2k7j s ILE 97 N -1.93 5.07 -0.12 -2.34 1.01 -1.26 -3.75 121.20 117.88 2k7j s ILE 97 Ca -0.01 0.69 -0.10 0.00 0.00 0.00 0.00 60.65 61.23 2k7j s ILE 97 Cb -0.06 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2k7j s ILE 97 CO 0.00 0.49 0.22 -0.69 0.00 0.00 0.00 174.94 174.96 2k7j s VAL 98 N -1.18 5.37 -2.00 2.92 1.01 -1.02 -4.95 120.40 120.55 2k7j s VAL 98 Ca 0.26 0.39 0.07 0.00 0.00 0.00 0.00 61.98 62.69 2k7j s VAL 98 Cb -0.16 -3.51 0.19 0.00 0.00 0.00 0.00 36.38 32.90 2k7j s VAL 98 CO 0.14 0.54 0.85 1.17 0.00 0.00 0.00 175.10 177.81