#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 1.93 -0.42 4.61 0.00 -1.26 -5.04 121.76 121.58 2k7j s ALA 2 Ca 0.00 -1.32 0.05 0.00 0.00 0.00 0.00 51.96 50.69 2k7j s ALA 2 Cb 0.00 -0.26 0.63 0.00 0.00 0.00 0.00 23.12 23.49 2k7j s ALA 2 CO 0.00 0.37 1.82 -0.85 0.00 0.00 0.00 175.76 177.10 2k7j n GLU 3 N 0.93 2.17 -3.83 0.00 0.28 -1.26 -4.91 120.64 114.02 2k7j n GLU 3 Ca -0.18 -3.07 -0.36 0.00 -0.16 0.00 0.00 57.16 53.39 2k7j n GLU 3 Cb 0.54 -2.10 -0.13 0.00 1.43 0.00 0.00 31.44 31.18 2k7j n GLU 3 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 177.13 177.17 2k7j s GLY 4 N -1.61 1.73 -0.21 -1.84 0.00 -1.26 -4.95 107.32 99.18 2k7j s GLY 4 Ca 0.54 -1.41 0.12 0.00 0.00 0.00 0.00 44.72 43.97 2k7j s GLY 4 CO 0.08 0.59 1.21 1.16 0.00 0.00 0.00 173.10 176.14 2k7j n ASN 5 N 4.81 2.07 -4.34 1.64 0.23 -1.26 -4.92 115.26 113.49 2k7j n ASN 5 Ca -0.15 -3.75 -0.45 0.00 -0.53 0.00 0.00 54.58 49.69 2k7j n ASN 5 Cb 0.48 -0.49 -0.06 0.00 -2.08 0.00 0.00 39.78 37.64 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2k7j s THR 6 N -3.21 5.15 -0.14 5.53 2.01 -1.26 -5.05 115.64 118.67 2k7j s THR 6 Ca 0.39 -1.30 -0.14 0.00 0.31 0.00 0.00 61.69 60.95 2k7j s THR 6 Cb 0.38 -4.31 -0.05 0.00 0.01 0.00 0.00 72.50 68.53 2k7j s THR 6 CO -0.06 -0.84 0.32 -0.76 -0.69 0.00 0.00 174.62 172.59 2k7j s LEU 7 N 1.79 4.27 0.32 4.42 1.43 -1.26 -0.47 118.68 129.17 2k7j s LEU 7 Ca 0.05 0.58 0.04 0.00 -1.03 0.00 0.00 54.13 53.77 2k7j s LEU 7 Cb -0.28 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.49 2k7j s LEU 7 CO 0.05 0.11 0.19 0.27 0.23 0.00 0.00 176.35 177.20 2k7j s ILE 8 N 0.32 0.22 -0.22 -0.59 -4.36 0.49 -1.58 121.20 115.48 2k7j s ILE 8 Ca 0.18 -2.00 -0.04 0.00 -0.26 0.00 0.00 60.65 58.53 2k7j s ILE 8 Cb -0.13 -2.48 0.11 0.00 1.25 0.00 0.00 42.46 41.20 2k7j s ILE 8 CO 0.05 0.00 0.37 -0.94 0.24 0.00 0.00 174.94 174.66 2k7j s SER 9 N -3.38 0.21 -0.06 4.36 1.04 0.50 -0.57 113.70 115.80 2k7j s SER 9 Ca 0.36 0.42 0.05 0.00 0.48 0.00 0.00 55.95 57.26 2k7j s SER 9 Cb 0.04 1.08 -0.00 0.00 0.10 0.00 0.00 66.02 67.24 2k7j s SER 9 CO 0.20 -0.28 -0.20 0.54 0.98 0.00 0.00 173.24 174.48 2k7j s VAL 10 N 2.53 1.67 0.05 5.02 0.11 -1.26 -1.27 120.40 127.26 2k7j s VAL 10 Ca 0.08 -0.84 0.09 0.00 -2.93 0.00 0.00 61.98 58.38 2k7j s VAL 10 Cb -0.14 -1.44 -0.03 0.00 -1.53 0.00 0.00 36.38 33.24 2k7j s VAL 10 CO -0.14 0.47 -0.26 1.51 -3.33 0.00 0.00 175.10 173.36 2k7j s ASP 11 N 0.09 3.23 0.17 3.54 -4.77 -1.26 -0.39 116.67 117.28 2k7j s ASP 11 Ca -0.07 -0.58 -0.24 0.00 -3.30 0.00 0.00 52.55 48.36 2k7j s ASP 11 Cb -0.14 -0.32 0.06 0.00 -1.09 0.00 0.00 42.92 41.44 2k7j s ASP 11 CO 0.04 0.26 0.96 -0.72 0.70 0.00 0.00 175.17 176.41 2k7j s TYR 12 N -0.82 -0.09 -0.56 2.11 -0.85 -0.66 -3.63 117.35 112.86 2k7j s TYR 12 Ca 0.12 -0.24 0.04 0.00 -0.52 0.00 0.00 57.07 56.47 2k7j s TYR 12 Cb -0.10 0.66 0.14 0.00 0.38 0.00 0.00 41.96 43.03 2k7j s TYR 12 CO 0.02 -0.87 0.31 -1.83 -1.52 0.00 0.00 175.55 171.66 2k7j s GLU 13 N -3.11 2.07 0.42 -3.49 1.03 -1.26 -1.73 118.70 112.63 2k7j s GLU 13 Ca 0.14 -2.77 -0.24 0.00 0.03 0.00 0.00 54.97 52.13 2k7j s GLU 13 Cb -0.02 -3.33 -0.11 0.00 -0.80 0.00 0.00 34.13 29.88 2k7j s GLU 13 CO 0.03 -1.15 0.94 -0.89 -1.33 0.00 0.00 175.26 172.86 2k7j n ILE 14 N 2.88 2.38 -2.14 1.83 2.08 -0.89 -4.68 119.36 120.81 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 -1.05 0.00 0.00 -0.75 0.00 0.00 39.64 38.17 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 -0.57 -3.31 0.00 1.39 3.72 -1.14 -2.05 117.46 115.50 2k7j n PHE 15 Ca 0.10 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.50 2k7j n PHE 15 Cb 0.39 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.93 2k7j n PHE 15 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2k7j n GLY 16 N 5.00 -0.72 2.29 1.37 0.00 -1.25 -4.61 105.19 107.28 2k7j n GLY 16 Ca 0.00 -2.23 -0.25 0.00 0.00 0.00 0.00 46.02 43.54 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 -0.22 2.24 -1.35 1.61 2.85 -1.00 -4.51 118.16 117.77 2k7j n LYS 17 Ca 0.00 -2.21 -0.29 0.00 -1.05 0.00 0.00 58.31 54.76 2k7j n LYS 17 Cb 0.00 -1.98 -0.07 0.00 -0.65 0.00 0.00 35.03 32.33 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 0.47 3.92 0.00 0.58 0.24 -1.26 -4.47 118.33 117.81 2k7j n VAL 18 Ca 0.44 -2.60 0.00 0.00 -2.04 0.00 0.00 64.34 60.14 2k7j n VAL 18 Cb 0.55 -2.18 0.00 0.00 -1.47 0.00 0.00 33.84 30.74 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 2.52 0.00 -2.68 7.34 6.02 -1.26 -4.26 117.38 125.05 2k7j n GLN 19 Ca 0.60 0.03 -0.43 0.00 -0.01 0.00 0.00 57.00 57.19 2k7j n GLN 19 Cb 0.50 -0.32 0.01 0.00 1.02 0.00 0.00 30.24 31.45 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 1.99 4.98 3.23 1.08 0.00 -1.26 -4.94 105.19 110.26 2k7j n GLY 20 Ca 0.00 -2.39 -0.13 0.00 0.00 0.00 0.00 46.02 43.50 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 -1.26 0.07 -0.53 1.61 0.11 -1.26 -4.98 120.40 114.15 2k7j s VAL 21 Ca 0.35 -0.55 0.02 0.00 -2.93 0.00 0.00 61.98 58.87 2k7j s VAL 21 Cb 0.07 -0.69 0.58 0.00 -1.53 0.00 0.00 36.38 34.81 2k7j s VAL 21 CO 0.06 -0.30 1.96 2.22 -3.33 0.00 0.00 175.10 175.70 2k7j n PHE 22 N 1.10 3.11 0.14 1.54 1.16 -1.26 -4.60 117.46 118.66 2k7j n PHE 22 Ca -0.21 -2.32 0.18 0.00 -1.87 0.00 0.00 57.45 53.23 2k7j n PHE 22 Cb 0.57 -1.14 0.78 0.00 -1.61 0.00 0.00 39.48 38.07 2k7j n PHE 22 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2k7j h PHE 23 N 1.41 0.00 -0.23 2.97 3.57 -1.98 0.27 116.94 122.95 2k7j h PHE 23 Ca 0.62 0.00 0.07 0.00 3.53 0.00 0.00 57.97 62.19 2k7j h PHE 23 Cb 2.03 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.76 2k7j h PHE 23 CO 1.52 0.00 0.25 0.00 -2.23 0.00 0.00 178.31 177.85 2k7j h ARG 24 N 0.00 0.00 0.00 1.11 3.08 -1.94 0.34 114.38 116.98 2k7j h ARG 24 Ca 0.14 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 60.07 2k7j h ARG 24 Cb 0.73 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2k7j h ARG 24 CO -0.00 0.00 -0.72 -0.22 -1.07 0.00 0.00 179.97 177.96 2k7j h LYS 25 N 0.00 0.00 0.07 0.04 1.63 -1.32 -3.04 116.57 113.95 2k7j h LYS 25 Ca 0.11 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.59 2k7j h LYS 25 Cb 0.61 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.21 2k7j h LYS 25 CO -0.00 0.45 -1.74 0.45 -3.45 0.00 0.00 179.45 175.16 2k7j h HIS 26 N 0.00 0.27 -0.03 1.91 3.86 -0.61 -3.25 115.15 117.30 2k7j h HIS 26 Ca -0.04 -0.20 -0.11 0.00 -1.16 0.00 0.00 60.37 58.86 2k7j h HIS 26 Cb 1.42 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.87 2k7j h HIS 26 CO 0.00 1.35 -0.50 0.00 0.86 0.00 0.00 177.93 179.64 2k7j h THR 27 N 0.04 1.36 -0.00 2.45 1.03 -0.62 -2.70 112.91 114.46 2k7j h THR 27 Ca -0.31 -1.73 -0.17 0.00 -0.01 0.00 0.00 66.41 64.20 2k7j h THR 27 Cb 2.01 1.90 -0.02 0.00 -1.07 0.00 0.00 68.15 70.97 2k7j h THR 27 CO 0.10 0.50 -0.78 0.06 -0.01 0.00 0.00 175.52 175.39 2k7j h GLN 28 N 0.06 0.02 0.29 0.00 -0.00 -1.67 -2.99 115.11 110.83 2k7j h GLN 28 Ca -0.00 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.61 2k7j h GLN 28 Cb 0.91 0.01 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 2k7j h GLN 28 CO 0.07 0.79 -0.14 0.00 -0.00 0.00 0.00 178.83 179.55 2k7j h ALA 29 N 1.20 -0.39 -0.92 0.06 0.00 -1.55 -3.14 119.26 114.53 2k7j h ALA 29 Ca -0.01 -0.19 0.13 0.00 0.00 0.00 0.00 54.91 54.84 2k7j h ALA 29 Cb 1.38 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 19.23 2k7j h ALA 29 CO 0.10 -0.47 0.54 1.49 0.00 0.00 0.00 179.25 180.91 2k7j h GLU 30 N -0.88 0.79 -0.29 0.00 4.81 -1.58 0.42 114.58 117.84 2k7j h GLU 30 Ca -0.04 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.22 2k7j h GLU 30 Cb 0.51 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.70 2k7j h GLU 30 CO 0.06 0.52 0.21 0.78 -0.73 0.00 0.00 179.01 179.85 2k7j h GLY 31 N 0.81 0.05 1.35 1.92 0.00 -1.55 -1.39 103.07 104.27 2k7j h GLY 31 Ca 0.48 -0.02 -0.24 0.00 0.00 0.00 0.00 47.33 47.55 2k7j h GLY 31 CO -0.31 0.01 -0.94 0.50 0.00 0.00 0.00 176.54 175.81 2k7j h LYS 32 N 0.04 0.59 0.00 4.80 1.79 -0.87 0.25 116.57 123.18 2k7j h LYS 32 Ca 0.14 -0.60 -0.03 0.00 -2.18 0.00 0.00 60.65 57.98 2k7j h LYS 32 Cb 0.49 0.16 -0.00 0.00 -1.58 0.00 0.00 32.23 31.30 2k7j h LYS 32 CO -0.01 1.21 -0.16 -0.22 -1.08 0.00 0.00 179.45 179.19 2k7j h LYS 33 N 0.35 0.00 0.00 3.15 1.63 -0.97 -3.29 116.57 117.44 2k7j h LYS 33 Ca -0.09 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.67 2k7j h LYS 33 Cb 1.57 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 33.20 2k7j h LYS 33 CO 0.18 0.16 -0.89 1.28 -3.45 0.00 0.00 179.45 176.72 2k7j n LEU 34 N -3.79 1.88 0.00 5.20 4.77 -0.92 -5.05 117.00 119.09 2k7j n LEU 34 Ca -0.02 0.47 0.00 0.00 -0.03 0.00 0.00 56.01 56.43 2k7j n LEU 34 Cb 0.26 -0.81 0.00 0.00 -2.33 0.00 0.00 43.42 40.54 2k7j n LEU 34 CO 0.32 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.71 2k7j n GLY 35 N 1.51 0.55 3.73 -0.72 0.00 0.67 -5.00 105.19 105.94 2k7j n GLY 35 Ca -0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.65 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 3.42 0.41 0.99 1.43 0.04 -4.62 118.68 120.36 2k7j s LEU 36 Ca 0.00 -0.55 0.04 0.00 -1.03 0.00 0.00 54.13 52.60 2k7j s LEU 36 Cb 0.00 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.25 2k7j s LEU 36 CO 0.00 -0.11 0.15 0.68 0.23 0.00 0.00 176.35 177.30 2k7j s VAL 37 N -2.29 0.51 -2.12 -1.59 -7.23 -0.39 -4.33 120.40 102.97 2k7j s VAL 37 Ca 0.34 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.51 2k7j s VAL 37 Cb -0.06 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.55 2k7j s VAL 37 CO 0.23 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.63 2k7j n GLY 38 N -0.90 0.73 3.16 2.32 0.00 -1.24 -2.83 105.19 106.42 2k7j n GLY 38 Ca -0.05 -2.15 -0.17 0.00 0.00 0.00 0.00 46.02 43.65 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 -0.92 1.11 -0.07 1.61 -2.14 -1.26 -0.61 118.94 116.67 2k7j s TRP 39 Ca 0.00 -0.49 0.02 0.00 2.66 0.00 0.00 56.10 58.29 2k7j s TRP 39 Cb 0.00 -0.63 0.01 0.00 -3.10 0.00 0.00 33.47 29.76 2k7j s TRP 39 CO 0.00 0.03 -0.12 0.14 -2.66 0.00 0.00 176.95 174.34 2k7j s VAL 40 N -1.47 1.11 0.23 -0.66 -7.23 -1.23 -3.75 120.40 107.40 2k7j s VAL 40 Ca -0.02 -0.45 0.01 0.00 -1.81 0.00 0.00 61.98 59.71 2k7j s VAL 40 Cb -0.09 -1.02 -0.01 0.00 0.56 0.00 0.00 36.38 35.82 2k7j s VAL 40 CO 0.02 0.35 0.05 0.00 -0.31 0.00 0.00 175.10 175.21 2k7j n GLN 41 N 3.90 0.95 -4.19 4.82 10.64 -0.49 -0.54 117.38 132.47 2k7j n GLN 41 Ca -0.22 -1.81 -0.26 0.00 -1.83 0.00 0.00 57.00 52.88 2k7j n GLN 41 Cb 0.52 0.82 -0.17 0.00 -0.86 0.00 0.00 30.24 30.54 2k7j n GLN 41 CO 0.00 0.00 0.00 1.21 -1.83 0.00 0.00 177.06 176.44 2k7j s ASN 42 N -2.33 2.05 1.09 2.61 2.47 -1.26 -2.30 114.94 117.27 2k7j s ASN 42 Ca 0.07 -0.31 -0.17 0.00 0.42 0.00 0.00 52.86 52.87 2k7j s ASN 42 Cb 0.00 -0.86 0.24 0.00 -1.45 0.00 0.00 41.25 39.18 2k7j s ASN 42 CO 0.05 -0.05 1.18 0.42 -3.72 0.00 0.00 177.10 174.98 2k7j s THR 43 N 1.26 1.78 -0.37 -5.21 -4.23 -0.07 -4.95 115.64 103.85 2k7j s THR 43 Ca -0.03 0.00 0.06 0.00 -1.18 0.00 0.00 61.69 60.54 2k7j s THR 43 Cb -0.14 -2.68 0.58 0.00 1.34 0.00 0.00 72.50 71.60 2k7j s THR 43 CO -0.04 0.00 1.64 0.47 -0.54 0.00 0.00 174.62 176.15 2k7j n ASP 44 N -4.32 4.07 0.00 3.99 8.00 -1.26 -4.17 116.55 122.87 2k7j n ASP 44 Ca 0.13 -3.07 0.00 0.00 0.71 0.00 0.00 54.79 52.56 2k7j n ASP 44 Cb 0.59 -0.72 0.00 0.00 -0.02 0.00 0.00 41.12 40.97 2k7j n ASP 44 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2k7j n ARG 45 N -0.29 0.00 0.00 -1.24 0.63 -1.26 -5.07 116.66 109.43 2k7j n ARG 45 Ca 0.38 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.31 2k7j n ARG 45 Cb 1.27 -0.69 0.00 0.00 0.45 0.00 0.00 32.46 33.49 2k7j n ARG 45 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k7j n GLY 46 N 2.32 0.15 3.18 5.14 0.00 -1.26 -5.00 105.19 109.72 2k7j n GLY 46 Ca 0.00 -0.00 -0.12 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 0.00 0.07 -0.30 2.61 -4.23 -1.26 -3.82 115.64 108.70 2k7j s THR 47 Ca 0.00 -0.58 -0.10 0.00 -1.18 0.00 0.00 61.69 59.83 2k7j s THR 47 Cb 0.00 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.28 2k7j s THR 47 CO 0.00 -0.32 0.16 -0.69 -0.54 0.00 0.00 174.62 173.23 2k7j s VAL 48 N -1.39 4.81 -0.36 2.29 1.01 -0.87 -0.90 120.40 125.00 2k7j s VAL 48 Ca -0.14 -0.23 -0.20 0.00 0.00 0.00 0.00 61.98 61.40 2k7j s VAL 48 Cb -0.06 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.93 2k7j s VAL 48 CO 0.03 0.13 0.62 -1.10 0.00 0.00 0.00 175.10 174.78 2k7j s GLN 49 N 1.66 3.66 0.16 2.72 -0.21 -0.97 -2.10 119.66 124.58 2k7j s GLN 49 Ca 0.06 0.01 -0.24 0.00 0.02 0.00 0.00 55.36 55.21 2k7j s GLN 49 Cb -0.17 -3.81 0.06 0.00 1.00 0.00 0.00 33.01 30.09 2k7j s GLN 49 CO 0.07 -0.73 0.80 0.20 -2.12 0.00 0.00 175.29 173.51 2k7j s GLY 50 N 1.79 -0.33 0.38 3.09 0.00 -0.71 -1.39 107.32 110.15 2k7j s GLY 50 Ca 0.24 0.27 0.05 0.00 0.00 0.00 0.00 44.72 45.27 2k7j s GLY 50 CO 0.15 0.08 0.04 -1.59 0.00 0.00 0.00 173.10 171.78 2k7j s LYS 51 N -3.53 1.83 -0.54 2.90 -2.85 -1.25 -1.65 119.74 114.66 2k7j s LYS 51 Ca 0.08 -2.05 0.07 0.00 -1.00 0.00 0.00 55.97 53.06 2k7j s LYS 51 Cb -0.02 -1.15 0.24 0.00 -2.06 0.00 0.00 37.83 34.84 2k7j s LYS 51 CO -0.02 -0.19 0.62 1.28 0.10 0.00 0.00 175.35 177.13 2k7j n LEU 52 N -0.85 2.09 -4.67 2.77 4.77 0.48 -4.65 117.00 116.93 2k7j n LEU 52 Ca -0.05 -5.08 -0.43 0.00 -0.03 0.00 0.00 56.01 50.43 2k7j n LEU 52 Cb 0.67 -0.10 -0.02 0.00 -2.33 0.00 0.00 43.42 41.63 2k7j n LEU 52 CO 0.43 2.03 1.03 -1.58 -1.33 0.00 0.00 177.39 177.97 2k7j s GLN 53 N -1.75 4.26 0.00 3.23 0.74 -1.13 -3.99 119.66 121.02 2k7j s GLN 53 Ca 0.36 1.62 0.00 0.00 0.05 0.00 0.00 55.36 57.39 2k7j s GLN 53 Cb 0.14 -3.70 0.00 0.00 1.10 0.00 0.00 33.01 30.54 2k7j s GLN 53 CO -0.07 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.44 2k7j n GLY 54 N 3.51 -1.51 3.77 2.59 0.00 0.27 -1.26 105.19 112.56 2k7j n GLY 54 Ca 0.13 -1.21 -0.39 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.89 4.23 0.44 1.61 0.04 -1.26 -0.38 135.00 137.80 2k7j s PRO 55 Ca 0.00 1.97 0.11 0.00 0.04 0.00 0.00 61.00 63.12 2k7j s PRO 55 Cb 0.00 -2.88 0.97 0.00 0.04 0.00 0.00 34.50 32.63 2k7j s PRO 55 CO 0.00 -0.20 2.03 0.82 0.04 0.00 0.00 177.00 179.69 2k7j h ILE 56 N 2.67 1.10 -0.41 0.56 2.04 -1.14 -1.15 117.51 121.17 2k7j h ILE 56 Ca -0.48 -0.37 0.12 0.00 1.00 0.00 0.00 64.86 65.13 2k7j h ILE 56 Cb 1.23 0.97 -0.02 0.00 -0.74 0.00 0.00 36.82 38.26 2k7j h ILE 56 CO 0.64 0.12 0.37 -1.28 0.00 0.00 0.00 178.15 178.00 2k7j h SER 57 N 0.22 0.00 0.00 1.72 0.87 -1.92 -0.23 113.55 114.21 2k7j h SER 57 Ca 0.05 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.21 2k7j h SER 57 Cb 0.14 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 62.03 2k7j h SER 57 CO 0.00 0.00 -2.46 0.29 -0.53 0.00 0.00 176.83 174.13 2k7j n LYS 58 N -4.00 0.60 -0.01 2.24 4.01 -0.68 -4.39 118.16 115.92 2k7j n LYS 58 Ca 0.07 0.19 0.21 0.00 -0.51 0.00 0.00 58.31 58.27 2k7j n LYS 58 Cb 0.55 -1.48 0.70 0.00 -0.51 0.00 0.00 35.03 34.29 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 -0.39 0.70 0.00 -0.18 2.07 -0.88 0.27 116.25 117.84 2k7j h VAL 59 Ca -0.61 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.89 2k7j h VAL 59 Cb 1.76 0.71 -0.00 0.00 -1.52 0.00 0.00 31.29 32.24 2k7j h VAL 59 CO -0.22 0.00 -0.08 0.03 0.02 0.00 0.00 177.57 177.32 2k7j h ARG 60 N 0.00 0.00 0.03 1.57 2.47 -1.25 0.44 114.38 117.63 2k7j h ARG 60 Ca 0.26 0.00 -0.38 0.00 -1.26 0.00 0.00 59.98 58.61 2k7j h ARG 60 Cb 1.08 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.34 2k7j h ARG 60 CO -0.00 0.08 -2.33 0.39 0.56 0.00 0.00 179.97 178.66 2k7j n GLU 61 N -3.84 0.68 0.05 0.04 -0.58 0.81 -4.35 120.64 113.44 2k7j n GLU 61 Ca -0.02 0.16 -0.01 0.00 -0.42 0.00 0.00 57.16 56.86 2k7j n GLU 61 Cb 0.17 -1.57 0.27 0.00 -0.57 0.00 0.00 31.44 29.75 2k7j n GLU 61 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 2k7j h MET 62 N 0.01 0.40 -0.82 3.49 4.05 -0.99 -2.83 114.93 118.24 2k7j h MET 62 Ca -0.53 -0.12 0.08 0.00 -0.28 0.00 0.00 59.70 58.85 2k7j h MET 62 Cb 1.98 -0.04 -0.07 0.00 -0.80 0.00 0.00 31.60 32.68 2k7j h MET 62 CO -0.03 0.57 0.48 -0.56 0.23 0.00 0.00 176.91 177.60 2k7j h GLN 63 N 0.37 0.81 -0.20 0.39 3.07 -1.11 -0.93 115.11 117.51 2k7j h GLN 63 Ca 0.07 -0.05 -0.11 0.00 0.09 0.00 0.00 58.65 58.65 2k7j h GLN 63 Cb 0.53 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 27.89 2k7j h GLN 63 CO 0.03 0.54 -0.34 0.87 0.09 0.00 0.00 178.83 180.02 2k7j h LYS 64 N 0.84 0.41 0.00 0.06 1.57 -1.70 -1.48 116.57 116.26 2k7j h LYS 64 Ca 0.38 -0.18 -0.04 0.00 -1.87 0.00 0.00 60.65 58.94 2k7j h LYS 64 Cb 0.29 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.58 2k7j h LYS 64 CO -0.22 0.70 -0.20 -1.49 -0.57 0.00 0.00 179.45 177.67 2k7j h TRP 65 N 0.35 0.00 -0.32 -1.35 4.06 -1.09 -0.75 115.95 116.85 2k7j h TRP 65 Ca 0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.99 2k7j h TRP 65 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.92 2k7j h TRP 65 CO 0.02 0.20 0.00 1.28 -3.56 0.00 0.00 178.44 176.38 2k7j n LEU 66 N -3.54 3.77 0.04 -4.49 4.77 -0.67 -3.32 117.00 113.56 2k7j n LEU 66 Ca -0.01 -2.72 -0.00 0.00 -0.03 0.00 0.00 56.01 53.25 2k7j n LEU 66 Cb 0.35 -0.47 -0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2k7j n LEU 66 CO 0.32 0.69 -0.03 1.21 -1.33 0.00 0.00 177.39 178.26 2k7j n GLU 67 N -0.11 0.02 -0.01 3.23 2.13 -0.59 -4.87 120.64 120.43 2k7j n GLU 67 Ca 0.19 0.01 -0.02 0.00 0.66 0.00 0.00 57.16 58.01 2k7j n GLU 67 Cb 0.79 -0.52 -0.02 0.00 0.27 0.00 0.00 31.44 31.96 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 -3.50 0.19 -2.41 6.31 5.66 -0.78 -4.46 114.28 115.30 2k7j n THR 68 Ca -0.01 -0.11 -0.26 0.00 -3.05 0.00 0.00 64.05 60.63 2k7j n THR 68 Cb 0.02 -0.87 0.14 0.00 -1.55 0.00 0.00 70.33 68.07 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 -2.07 1.23 0.00 1.09 3.00 -0.36 -4.83 118.95 117.01 2k7j s ARG 69 Ca -0.02 -1.00 0.00 0.00 0.00 0.00 0.00 55.73 54.71 2k7j s ARG 69 Cb 0.01 -2.18 0.00 0.00 0.00 0.00 0.00 34.95 32.78 2k7j s ARG 69 CO 0.11 -1.84 0.00 0.41 0.00 0.00 0.00 175.30 173.98 2k7j n GLY 70 N -3.16 0.37 3.86 -3.53 0.00 -1.21 -4.26 105.19 97.26 2k7j n GLY 70 Ca 0.16 -1.66 -0.31 0.00 0.00 0.00 0.00 46.02 44.22 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 5.97 0.36 1.61 1.04 -1.26 -4.97 113.70 112.45 2k7j s SER 71 Ca 0.00 1.43 0.15 0.00 0.48 0.00 0.00 55.95 58.01 2k7j s SER 71 Cb 0.00 -2.42 0.70 0.00 0.10 0.00 0.00 66.02 64.40 2k7j s SER 71 CO 0.00 -1.04 1.77 1.55 0.98 0.00 0.00 173.24 176.50 2k7j h PRO 72 N -0.44 0.00 0.00 4.02 0.13 -2.04 -3.35 132.00 130.33 2k7j h PRO 72 Ca -0.44 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.69 2k7j h PRO 72 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2k7j h PRO 72 CO 0.61 0.40 0.00 0.39 -0.23 0.00 0.00 178.00 179.18 2k7j n GLU 73 N -3.82 0.00 -2.39 0.86 -0.58 -1.26 -4.71 120.64 108.75 2k7j n GLU 73 Ca -0.01 0.28 -0.42 0.00 -0.42 0.00 0.00 57.16 56.58 2k7j n GLU 73 Cb 0.47 -1.06 -0.03 0.00 -0.57 0.00 0.00 31.44 30.26 2k7j n GLU 73 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2k7j s SER 74 N -2.05 6.97 0.12 1.62 1.04 -1.26 -5.02 113.70 115.12 2k7j s SER 74 Ca 0.00 1.85 0.01 0.00 0.48 0.00 0.00 55.95 58.29 2k7j s SER 74 Cb 0.00 -2.55 -0.04 0.00 0.10 0.00 0.00 66.02 63.53 2k7j s SER 74 CO 0.00 -0.67 0.27 -1.00 0.98 0.00 0.00 173.24 172.82 2k7j s HIS 75 N 2.66 3.50 -0.43 5.02 3.76 -1.26 -4.33 115.29 124.20 2k7j s HIS 75 Ca 0.58 0.21 0.04 0.00 -0.15 0.00 0.00 55.06 55.73 2k7j s HIS 75 Cb -0.25 -1.74 0.12 0.00 1.11 0.00 0.00 32.58 31.82 2k7j s HIS 75 CO 0.21 0.53 0.16 0.42 -0.85 0.00 0.00 174.74 175.21 2k7j s ILE 76 N -1.67 2.34 0.25 0.60 1.01 -1.26 -2.38 121.20 120.10 2k7j s ILE 76 Ca 0.35 -2.81 0.20 0.00 0.00 0.00 0.00 60.65 58.40 2k7j s ILE 76 Cb -0.12 -2.68 0.18 0.00 0.01 0.00 0.00 42.46 39.85 2k7j s ILE 76 CO 0.28 -0.72 1.84 0.44 0.00 0.00 0.00 174.94 176.78 2k7j h ASP 77 N 7.03 0.00 -4.08 3.58 3.32 -1.90 -3.46 116.42 120.91 2k7j h ASP 77 Ca -0.06 0.00 0.14 0.00 0.02 0.00 0.00 57.03 57.13 2k7j h ASP 77 Cb 0.95 0.00 -0.22 0.00 0.22 0.00 0.00 39.33 40.29 2k7j h ASP 77 CO 0.60 0.30 0.64 -1.59 -1.72 0.00 0.00 179.24 177.47 2k7j s LYS 78 N -3.84 0.50 0.29 3.56 -2.85 -1.26 -5.04 119.74 111.10 2k7j s LYS 78 Ca -0.01 0.00 -0.06 0.00 -1.00 0.00 0.00 55.97 54.91 2k7j s LYS 78 Cb 0.12 0.24 -0.01 0.00 -2.06 0.00 0.00 37.83 36.12 2k7j s LYS 78 CO 0.66 -0.18 0.42 0.00 0.10 0.00 0.00 175.35 176.35 2k7j s ALA 79 N -1.67 0.51 -0.10 0.59 0.00 -1.26 -2.90 121.76 116.92 2k7j s ALA 79 Ca 0.03 -1.34 -0.33 0.00 0.00 0.00 0.00 51.96 50.32 2k7j s ALA 79 Cb -0.01 1.16 0.13 0.00 0.00 0.00 0.00 23.12 24.40 2k7j s ALA 79 CO -0.03 -0.78 1.20 1.21 0.00 0.00 0.00 175.76 177.36 2k7j s ASN 80 N -3.16 -0.13 0.19 0.00 2.47 -1.26 -4.99 114.94 108.06 2k7j s ASN 80 Ca 0.29 -0.07 0.10 0.00 0.42 0.00 0.00 52.86 53.60 2k7j s ASN 80 Cb 0.01 0.18 -0.04 0.00 -1.45 0.00 0.00 41.25 39.95 2k7j s ASN 80 CO 0.15 -0.32 -0.14 0.72 -3.72 0.00 0.00 177.10 173.80 2k7j s PHE 81 N -2.51 2.53 0.00 0.43 -0.12 -1.26 -4.62 117.98 112.43 2k7j s PHE 81 Ca 0.11 -0.26 0.00 0.00 -0.05 0.00 0.00 56.93 56.73 2k7j s PHE 81 Cb 0.01 -1.24 0.00 0.00 -0.63 0.00 0.00 43.02 41.16 2k7j s PHE 81 CO -0.04 0.51 0.00 1.63 -0.05 0.00 0.00 175.22 177.27 2k7j n LYS 82 N 0.09 0.00 -3.15 1.99 5.02 -1.24 -5.02 118.16 115.85 2k7j n LYS 82 Ca -0.11 0.26 0.05 0.00 -2.02 0.00 0.00 58.31 56.49 2k7j n LYS 82 Cb 0.56 -0.73 -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 -2.52 -0.80 0.64 4.39 2.47 -1.26 -5.10 114.94 112.76 2k7j s ASN 83 Ca 0.00 0.38 -0.17 0.00 0.42 0.00 0.00 52.86 53.48 2k7j s ASN 83 Cb 0.00 1.62 -0.01 0.00 -1.45 0.00 0.00 41.25 41.41 2k7j s ASN 83 CO 0.00 -0.15 1.21 -1.83 -3.72 0.00 0.00 177.10 172.61 2k7j s GLU 84 N 2.92 2.69 -0.06 0.43 1.03 -1.26 -4.63 118.70 119.82 2k7j s GLU 84 Ca 0.10 1.80 0.03 0.00 0.03 0.00 0.00 54.97 56.94 2k7j s GLU 84 Cb -0.10 -1.90 0.00 0.00 -0.80 0.00 0.00 34.13 31.34 2k7j s GLU 84 CO -0.17 -1.42 -0.16 0.15 -1.33 0.00 0.00 175.26 172.33 2k7j s LYS 85 N -3.55 1.96 -0.51 -4.83 -0.14 -0.39 -4.93 119.74 107.35 2k7j s LYS 85 Ca 0.76 -0.58 -0.25 0.00 -1.36 0.00 0.00 55.97 54.55 2k7j s LYS 85 Cb -0.30 -1.62 0.03 0.00 -1.68 0.00 0.00 37.83 34.26 2k7j s LYS 85 CO 0.38 0.15 0.94 0.08 -0.76 0.00 0.00 175.35 176.14 2k7j s VAL 86 N 0.33 4.41 0.48 3.17 1.01 -1.26 -0.37 120.40 128.17 2k7j s VAL 86 Ca -0.11 0.55 0.06 0.00 0.00 0.00 0.00 61.98 62.49 2k7j s VAL 86 Cb -0.14 -4.49 0.00 0.00 0.00 0.00 0.00 36.38 31.74 2k7j s VAL 86 CO 0.04 -0.98 0.35 0.27 0.00 0.00 0.00 175.10 174.77 2k7j s ILE 87 N 3.90 2.09 -0.11 2.22 -4.36 -0.62 -5.00 121.20 119.32 2k7j s ILE 87 Ca 0.34 -1.49 0.17 0.00 -0.26 0.00 0.00 60.65 59.41 2k7j s ILE 87 Cb -0.11 -2.58 -0.24 0.00 1.25 0.00 0.00 42.46 40.78 2k7j s ILE 87 CO 0.23 0.00 0.20 0.18 0.24 0.00 0.00 174.94 175.79 2k7j n LEU 88 N -1.59 0.00 -3.71 0.37 4.77 -1.26 -4.25 117.00 111.33 2k7j n LEU 88 Ca -0.00 0.00 -0.10 0.00 -0.03 0.00 0.00 56.01 55.88 2k7j n LEU 88 Cb 0.64 0.25 -0.05 0.00 -2.33 0.00 0.00 43.42 41.93 2k7j n LEU 88 CO 0.41 0.25 0.07 -1.59 -1.33 0.00 0.00 177.39 175.21 2k7j s LYS 89 N -2.76 1.00 -0.11 3.23 -2.85 -1.26 -4.92 119.74 112.07 2k7j s LYS 89 Ca -0.08 -0.80 -0.19 0.00 -1.00 0.00 0.00 55.97 53.90 2k7j s LYS 89 Cb 0.08 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.23 2k7j s LYS 89 CO 0.73 -0.37 0.50 -0.51 0.10 0.00 0.00 175.35 175.80 2k7j s LEU 90 N -2.83 4.29 0.33 2.77 1.43 -1.26 -4.96 118.68 118.45 2k7j s LEU 90 Ca 0.04 0.87 0.17 0.00 -1.03 0.00 0.00 54.13 54.17 2k7j s LEU 90 Cb 0.03 -2.74 0.48 0.00 0.03 0.00 0.00 46.19 43.99 2k7j s LEU 90 CO -0.11 -0.00 1.64 -2.24 0.23 0.00 0.00 176.35 175.86 2k7j h ASP 91 N 6.67 0.00 -3.17 2.29 2.03 -2.01 -3.45 116.42 118.78 2k7j h ASP 91 Ca -0.41 0.00 -0.46 0.00 -0.73 0.00 0.00 57.03 55.43 2k7j h ASP 91 Cb 1.18 0.00 0.05 0.00 -0.83 0.00 0.00 39.33 39.74 2k7j h ASP 91 CO 0.75 0.46 0.08 -0.31 -1.03 0.00 0.00 179.24 179.18 2k7j s TYR 92 N -3.42 3.03 -0.04 4.15 1.51 -1.26 -5.03 117.35 116.29 2k7j s TYR 92 Ca 0.01 0.31 0.05 0.00 -1.01 0.00 0.00 57.07 56.43 2k7j s TYR 92 Cb 0.10 -2.79 -0.08 0.00 -0.11 0.00 0.00 41.96 39.08 2k7j s TYR 92 CO 0.71 -0.92 0.05 0.45 -1.11 0.00 0.00 175.55 174.73 2k7j n SER 93 N -2.51 3.61 -3.22 2.29 2.88 -1.26 -5.05 113.62 110.35 2k7j n SER 93 Ca 0.06 0.00 -0.09 0.00 -1.33 0.00 0.00 58.87 57.51 2k7j n SER 93 Cb 0.59 0.82 0.00 0.00 -0.75 0.00 0.00 64.21 64.87 2k7j n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7j s ASP 94 N -3.40 0.08 -0.15 -3.46 2.15 -1.26 -5.03 116.67 105.59 2k7j s ASP 94 Ca -0.03 -1.08 -0.19 0.00 0.43 0.00 0.00 52.55 51.69 2k7j s ASP 94 Cb 0.02 0.78 -0.04 0.00 -0.30 0.00 0.00 42.92 43.39 2k7j s ASP 94 CO 0.24 -1.53 0.51 0.12 -0.17 0.00 0.00 175.17 174.33 2k7j s PHE 95 N -2.84 3.45 0.38 -5.34 2.19 -1.26 -3.70 117.98 110.86 2k7j s PHE 95 Ca 0.17 0.86 0.08 0.00 0.33 0.00 0.00 56.93 58.37 2k7j s PHE 95 Cb -0.04 -2.62 -0.04 0.00 -1.31 0.00 0.00 43.02 39.00 2k7j s PHE 95 CO 0.12 0.04 0.17 -1.14 1.83 0.00 0.00 175.22 176.24 2k7j s GLN 96 N 1.11 2.30 0.08 10.12 0.74 0.22 -4.93 119.66 129.31 2k7j s GLN 96 Ca 0.26 -1.69 0.09 0.00 0.05 0.00 0.00 55.36 54.07 2k7j s GLN 96 Cb -0.15 -2.10 -0.03 0.00 1.10 0.00 0.00 33.01 31.83 2k7j s GLN 96 CO 0.10 -0.02 -0.23 0.42 -0.55 0.00 0.00 175.29 175.01 2k7j s ILE 97 N -2.51 2.43 -0.11 -2.34 1.01 -1.26 -3.54 121.20 114.88 2k7j s ILE 97 Ca 0.40 -1.46 0.04 0.00 0.00 0.00 0.00 60.65 59.62 2k7j s ILE 97 Cb 0.00 -2.03 0.00 0.00 0.01 0.00 0.00 42.46 40.45 2k7j s ILE 97 CO 0.23 0.24 -0.23 -0.69 0.00 0.00 0.00 174.94 174.49 2k7j s VAL 98 N -0.96 2.05 -1.21 2.92 1.01 0.29 -4.86 120.40 119.66 2k7j s VAL 98 Ca 0.14 -1.01 0.00 0.00 0.00 0.00 0.00 61.98 61.11 2k7j s VAL 98 Cb -0.10 -1.78 0.00 0.00 0.00 0.00 0.00 36.38 34.49 2k7j s VAL 98 CO 0.05 0.56 0.30 1.17 0.00 0.00 0.00 175.10 177.18