#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 4.15 0.34 4.61 0.00 -1.26 -5.04 121.76 124.57 2k7j s ALA 2 Ca 0.00 -3.49 0.09 0.00 0.00 0.00 0.00 51.96 48.56 2k7j s ALA 2 Cb 0.00 -3.29 -0.06 0.00 0.00 0.00 0.00 23.12 19.77 2k7j s ALA 2 CO 0.00 -2.22 -0.03 -1.21 0.00 0.00 0.00 175.76 172.30 2k7j s GLU 3 N -0.37 1.97 0.00 0.00 2.02 -1.26 -5.04 118.70 116.02 2k7j s GLU 3 Ca 0.22 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.38 2k7j s GLU 3 Cb -0.12 -1.84 0.00 0.00 0.10 0.00 0.00 34.13 32.28 2k7j s GLU 3 CO -0.08 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.75 2k7j n GLY 4 N -0.89 -1.96 3.49 -1.39 0.00 -1.26 -4.84 105.19 98.34 2k7j n GLY 4 Ca -0.05 0.76 -0.21 0.00 0.00 0.00 0.00 46.02 46.53 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 -4.59 -3.44 1.61 4.13 -1.26 -4.95 115.26 106.76 2k7j n ASN 5 Ca 0.00 -0.56 -0.29 0.00 1.68 0.00 0.00 54.58 55.40 2k7j n ASN 5 Cb 0.00 -5.00 -0.06 0.00 -1.54 0.00 0.00 39.78 33.18 2k7j n ASN 5 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 2k7j n THR 6 N -4.61 2.92 -1.67 3.41 -1.04 -1.26 -5.02 114.28 107.00 2k7j n THR 6 Ca -0.11 -5.38 -0.46 0.00 -2.04 0.00 0.00 64.05 56.06 2k7j n THR 6 Cb 0.60 -2.00 -0.04 0.00 -1.82 0.00 0.00 70.33 67.07 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 0.75 3.70 -4.18 -4.42 4.77 -1.26 -2.33 117.00 114.03 2k7j n LEU 7 Ca 0.30 0.95 -0.11 0.00 -0.03 0.00 0.00 56.01 57.12 2k7j n LEU 7 Cb 0.39 -1.43 -0.10 0.00 -2.33 0.00 0.00 43.42 39.96 2k7j n LEU 7 CO 0.44 0.03 -0.34 0.27 -1.33 0.00 0.00 177.39 176.47 2k7j s ILE 8 N 4.09 0.49 -0.34 -0.08 -4.36 0.67 -1.45 121.20 120.22 2k7j s ILE 8 Ca 0.91 -1.93 0.00 0.00 -0.26 0.00 0.00 60.65 59.37 2k7j s ILE 8 Cb -0.60 -1.91 0.11 0.00 1.25 0.00 0.00 42.46 41.30 2k7j s ILE 8 CO 0.48 -0.64 0.12 -0.94 0.24 0.00 0.00 174.94 174.20 2k7j s SER 9 N -3.08 4.04 -0.12 4.36 1.04 0.78 -0.88 113.70 119.85 2k7j s SER 9 Ca 0.19 -1.92 0.01 0.00 0.48 0.00 0.00 55.95 54.70 2k7j s SER 9 Cb 0.06 -0.99 -0.01 0.00 0.10 0.00 0.00 66.02 65.18 2k7j s SER 9 CO -0.01 -0.38 -0.15 0.54 0.98 0.00 0.00 173.24 174.22 2k7j s VAL 10 N 1.25 2.88 0.34 5.02 0.11 -1.09 -2.07 120.40 126.84 2k7j s VAL 10 Ca 0.12 -0.73 0.09 0.00 -2.93 0.00 0.00 61.98 58.53 2k7j s VAL 10 Cb -0.19 -2.19 -0.05 0.00 -1.53 0.00 0.00 36.38 32.42 2k7j s VAL 10 CO -0.17 0.54 0.06 1.51 -3.33 0.00 0.00 175.10 173.70 2k7j s ASP 11 N 0.24 4.36 0.12 3.54 1.47 -1.26 -0.31 116.67 124.83 2k7j s ASP 11 Ca -0.10 -0.90 -0.24 0.00 1.18 0.00 0.00 52.55 52.48 2k7j s ASP 11 Cb -0.16 -0.61 0.08 0.00 -0.34 0.00 0.00 42.92 41.90 2k7j s ASP 11 CO 0.06 -0.25 1.10 -0.72 0.68 0.00 0.00 175.17 176.04 2k7j s TYR 12 N -2.48 0.03 -0.53 2.11 -0.85 -0.44 -3.09 117.35 112.10 2k7j s TYR 12 Ca 0.36 -0.33 0.04 0.00 -0.52 0.00 0.00 57.07 56.61 2k7j s TYR 12 Cb -0.01 0.65 0.16 0.00 0.38 0.00 0.00 41.96 43.14 2k7j s TYR 12 CO 0.20 -0.72 0.37 -1.83 -1.52 0.00 0.00 175.55 172.05 2k7j s GLU 13 N -2.29 1.59 0.42 -3.49 1.03 -1.26 -0.46 118.70 114.24 2k7j s GLU 13 Ca 0.22 -2.54 -0.24 0.00 0.03 0.00 0.00 54.97 52.43 2k7j s GLU 13 Cb -0.01 -2.40 -0.11 0.00 -0.80 0.00 0.00 34.13 30.81 2k7j s GLU 13 CO 0.03 -1.29 0.94 -0.89 -1.33 0.00 0.00 175.26 172.71 2k7j n ILE 14 N 2.70 2.38 -3.00 1.83 2.08 -0.80 -4.43 119.36 120.12 2k7j n ILE 14 Ca 0.21 -0.50 -0.04 0.00 0.56 0.00 0.00 62.75 62.97 2k7j n ILE 14 Cb 0.40 -1.05 0.02 0.00 -0.75 0.00 0.00 39.64 38.25 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 -2.84 0.00 1.39 3.72 -1.11 -1.01 117.46 117.04 2k7j n PHE 15 Ca 0.10 -0.49 0.00 0.00 -0.05 0.00 0.00 57.45 57.01 2k7j n PHE 15 Cb 0.39 -0.13 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 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 3.36 0.50 2.05 1.37 0.00 -1.26 -4.41 105.19 106.81 2k7j n GLY 16 Ca 0.04 -2.23 -0.23 0.00 0.00 0.00 0.00 46.02 43.59 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 2.15 0.22 1.61 2.85 -0.61 -4.51 118.16 119.86 2k7j n LYS 17 Ca 0.00 -2.41 0.15 0.00 -1.05 0.00 0.00 58.31 55.00 2k7j n LYS 17 Cb 0.00 -1.95 0.77 0.00 -0.65 0.00 0.00 35.03 33.20 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 0.90 0.00 0.00 0.58 -1.51 -1.86 -1.47 116.25 112.89 2k7j h VAL 18 Ca 0.47 -0.09 -0.03 0.00 -1.23 0.00 0.00 66.70 65.82 2k7j h VAL 18 Cb 1.51 0.82 -0.00 0.00 -2.13 0.00 0.00 31.29 31.48 2k7j h VAL 18 CO 1.06 0.00 -0.13 1.56 -1.23 0.00 0.00 177.57 178.83 2k7j h GLN 19 N 0.00 0.00 -2.32 5.19 4.20 -1.91 -3.24 115.11 117.04 2k7j h GLN 19 Ca 0.00 0.00 -0.65 0.00 0.06 0.00 0.00 58.65 58.06 2k7j h GLN 19 Cb 0.11 0.00 -0.38 0.00 0.30 0.00 0.00 27.48 27.51 2k7j h GLN 19 CO 0.00 0.13 -0.24 0.41 -0.67 0.00 0.00 178.83 178.46 2k7j n GLY 20 N -0.44 5.40 3.29 3.46 0.00 -0.55 -4.96 105.19 111.39 2k7j n GLY 20 Ca -0.01 -2.74 0.03 0.00 0.00 0.00 0.00 46.02 43.29 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 -3.65 -0.09 -0.45 1.61 0.11 -1.22 -4.82 120.40 111.87 2k7j s VAL 21 Ca 0.43 0.00 0.04 0.00 -2.93 0.00 0.00 61.98 59.52 2k7j s VAL 21 Cb 0.20 -1.00 0.50 0.00 -1.53 0.00 0.00 36.38 34.55 2k7j s VAL 21 CO -0.07 0.00 1.66 0.49 -3.33 0.00 0.00 175.10 173.85 2k7j n PHE 22 N 4.33 2.55 0.00 1.54 3.72 -1.26 -4.76 117.46 123.58 2k7j n PHE 22 Ca -0.09 -2.32 0.00 0.00 -0.05 0.00 0.00 57.45 55.00 2k7j n PHE 22 Cb 0.55 -0.86 0.00 0.00 -0.94 0.00 0.00 39.48 38.23 2k7j n PHE 22 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 2k7j n PHE 23 N -0.95 0.00 -2.51 1.38 3.01 -1.26 -4.89 117.46 112.24 2k7j n PHE 23 Ca 0.50 0.00 -0.13 0.00 1.01 0.00 0.00 57.45 58.83 2k7j n PHE 23 Cb 0.97 -0.26 -0.01 0.00 -0.01 0.00 0.00 39.48 40.18 2k7j n PHE 23 CO 0.00 0.00 0.00 -2.13 1.01 0.00 0.00 176.76 175.64 2k7j n ARG 24 N -1.28 -2.34 -0.13 -1.08 0.63 -1.26 -4.79 116.66 106.40 2k7j n ARG 24 Ca 0.00 0.60 0.06 0.00 -0.92 0.00 0.00 57.85 57.58 2k7j n ARG 24 Cb 0.00 -5.21 0.08 0.00 0.45 0.00 0.00 32.46 27.78 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -2.51 0.00 0.00 177.63 176.29 2k7j n LYS 25 N -2.88 1.28 -0.01 -0.14 4.81 -1.26 -4.60 118.16 115.36 2k7j n LYS 25 Ca -0.14 -1.97 -0.01 0.00 -0.87 0.00 0.00 58.31 55.33 2k7j n LYS 25 Cb 0.61 -1.16 -0.01 0.00 0.02 0.00 0.00 35.03 34.48 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 -0.92 0.00 0.09 5.64 -0.00 -1.26 -4.47 115.22 114.30 2k7j n HIS 26 Ca 0.09 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.14 2k7j n HIS 26 Cb 0.57 -0.08 -0.13 0.00 -0.12 0.00 0.00 29.99 30.23 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 1.53 -0.26 3.57 1.03 -1.98 -2.40 112.91 114.39 2k7j h THR 27 Ca -0.05 -3.14 -0.18 0.00 -0.01 0.00 0.00 66.41 63.04 2k7j h THR 27 Cb 1.10 2.90 -0.00 0.00 -1.07 0.00 0.00 68.15 71.07 2k7j h THR 27 CO 0.00 0.91 -0.53 0.06 -0.01 0.00 0.00 175.52 175.94 2k7j h GLN 28 N 0.05 0.77 0.00 0.00 -0.00 -1.84 -0.23 115.11 113.87 2k7j h GLN 28 Ca -0.11 -0.48 -0.18 0.00 -0.00 0.00 0.00 58.65 57.88 2k7j h GLN 28 Cb 1.92 0.05 -0.02 0.00 -0.00 0.00 0.00 27.48 29.43 2k7j h GLN 28 CO 0.18 1.11 -0.85 0.00 -0.00 0.00 0.00 178.83 179.27 2k7j h ALA 29 N 0.80 0.60 0.09 0.06 0.00 -1.78 -1.54 119.26 117.49 2k7j h ALA 29 Ca 0.02 -0.76 -0.26 0.00 0.00 0.00 0.00 54.91 53.90 2k7j h ALA 29 Cb 1.12 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.78 2k7j h ALA 29 CO 0.11 1.05 -1.14 1.49 0.00 0.00 0.00 179.25 180.76 2k7j h GLU 30 N 0.01 0.35 0.10 0.00 4.57 -1.38 -2.98 114.58 115.24 2k7j h GLU 30 Ca -0.01 -0.49 -0.26 0.00 -1.18 0.00 0.00 59.36 57.42 2k7j h GLU 30 Cb 1.49 0.17 -0.00 0.00 -0.16 0.00 0.00 28.75 30.25 2k7j h GLU 30 CO 0.11 1.19 -1.18 0.78 -1.18 0.00 0.00 179.01 178.73 2k7j h GLY 31 N 1.33 0.26 1.83 1.92 0.00 -1.07 -3.28 103.07 104.06 2k7j h GLY 31 Ca -0.12 -0.66 -0.10 0.00 0.00 0.00 0.00 47.33 46.45 2k7j h GLY 31 CO 0.19 0.58 -0.41 0.07 0.00 0.00 0.00 176.54 176.96 2k7j h LYS 32 N 0.07 0.19 0.03 4.80 2.10 -1.37 -3.11 116.57 119.28 2k7j h LYS 32 Ca -0.11 -0.09 0.01 0.00 -2.00 0.00 0.00 60.65 58.46 2k7j h LYS 32 Cb 1.91 -0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 33.22 2k7j h LYS 32 CO 0.19 0.58 -0.10 -0.22 -2.00 0.00 0.00 179.45 177.90 2k7j h LYS 33 N 0.16 -0.17 0.00 0.07 1.63 -1.58 -1.53 116.57 115.15 2k7j h LYS 33 Ca 0.01 0.01 -0.01 0.00 -0.85 0.00 0.00 60.65 59.82 2k7j h LYS 33 Cb 0.81 0.04 -0.00 0.00 -0.60 0.00 0.00 32.23 32.47 2k7j h LYS 33 CO 0.06 -0.11 -0.03 -0.07 -3.45 0.00 0.00 179.45 175.85 2k7j h LEU 34 N -0.18 0.00 0.00 5.20 3.38 -1.65 -3.46 115.31 118.61 2k7j h LEU 34 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2k7j h LEU 34 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2k7j h LEU 34 CO -0.08 0.03 0.00 0.61 0.09 0.00 0.00 178.44 179.09 2k7j n GLY 35 N -1.23 2.81 3.27 0.83 0.00 -0.58 -5.07 105.19 105.22 2k7j n GLY 35 Ca -0.03 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.71 2k7j n GLY 35 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2k7j n LEU 36 N 0.00 -1.43 -4.20 0.99 4.77 -1.22 -4.81 117.00 111.11 2k7j n LEU 36 Ca 0.00 -0.43 -0.12 0.00 -0.03 0.00 0.00 56.01 55.43 2k7j n LEU 36 Cb 0.00 -1.03 -0.10 0.00 -2.33 0.00 0.00 43.42 39.95 2k7j n LEU 36 CO 0.00 -3.70 -0.30 0.68 -1.33 0.00 0.00 177.39 172.74 2k7j s VAL 37 N -2.22 0.31 0.00 4.08 -7.23 -0.57 -3.71 120.40 111.07 2k7j s VAL 37 Ca 0.61 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.83 2k7j s VAL 37 Cb -0.16 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.64 2k7j s VAL 37 CO 0.58 -0.40 0.00 0.61 -0.31 0.00 0.00 175.10 175.58 2k7j n GLY 38 N -0.18 -0.48 3.62 2.32 0.00 -1.26 -0.86 105.19 108.35 2k7j n GLY 38 Ca -0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.68 -0.20 -0.02 1.61 -2.14 -1.26 -4.02 118.94 112.24 2k7j s TRP 39 Ca 0.00 0.39 0.04 0.00 2.66 0.00 0.00 56.10 59.19 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 -0.15 -0.14 0.54 -2.66 0.00 0.00 176.95 174.54 2k7j s VAL 40 N -0.69 1.16 -0.19 -0.66 0.11 -1.25 -2.45 120.40 116.42 2k7j s VAL 40 Ca 0.05 -0.61 -0.28 0.00 -2.93 0.00 0.00 61.98 58.21 2k7j s VAL 40 Cb -0.02 -0.98 0.10 0.00 -1.53 0.00 0.00 36.38 33.95 2k7j s VAL 40 CO -0.06 0.33 0.89 -1.58 -3.33 0.00 0.00 175.10 171.35 2k7j s GLN 41 N -0.20 0.72 -0.16 1.54 0.74 -1.23 -2.91 119.66 118.16 2k7j s GLN 41 Ca 0.03 0.45 -0.11 0.00 0.05 0.00 0.00 55.36 55.77 2k7j s GLN 41 Cb -0.07 0.34 -0.05 0.00 1.10 0.00 0.00 33.01 34.33 2k7j s GLN 41 CO 0.00 -0.17 0.21 0.54 -0.55 0.00 0.00 175.29 175.32 2k7j s ASN 42 N -0.49 6.36 0.74 6.67 4.22 -1.26 -0.57 114.94 130.61 2k7j s ASN 42 Ca -0.02 0.42 -0.05 0.00 -2.14 0.00 0.00 52.86 51.07 2k7j s ASN 42 Cb -0.02 -2.13 0.11 0.00 1.28 0.00 0.00 41.25 40.48 2k7j s ASN 42 CO 0.01 0.20 1.03 0.42 -2.04 0.00 0.00 177.10 176.72 2k7j s THR 43 N 0.08 2.22 0.09 0.54 -4.23 0.54 -4.96 115.64 109.92 2k7j s THR 43 Ca 0.13 -0.40 0.01 0.00 -1.18 0.00 0.00 61.69 60.26 2k7j s THR 43 Cb -0.12 -2.83 -0.25 0.00 1.34 0.00 0.00 72.50 70.64 2k7j s THR 43 CO 0.02 0.00 1.19 -0.78 -0.54 0.00 0.00 174.62 174.51 2k7j h ASP 44 N -0.67 0.21 -0.24 3.99 1.82 -1.99 -3.33 116.42 116.21 2k7j h ASP 44 Ca -0.41 -0.23 0.05 0.00 -0.39 0.00 0.00 57.03 56.05 2k7j h ASP 44 Cb 1.28 -0.07 -0.05 0.00 0.68 0.00 0.00 39.33 41.17 2k7j h ASP 44 CO 0.48 1.18 -0.07 -0.09 -1.61 0.00 0.00 179.24 179.13 2k7j h ARG 45 N 0.04 -0.01 0.00 0.28 9.65 -2.05 -3.46 114.38 118.83 2k7j h ARG 45 Ca -0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.80 2k7j h ARG 45 Cb 1.88 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 30.46 2k7j h ARG 45 CO 0.16 -0.01 0.00 0.41 2.80 0.00 0.00 179.97 183.34 2k7j n GLY 46 N -1.23 0.00 2.56 2.80 0.00 -1.25 -5.12 105.19 102.95 2k7j n GLY 46 Ca -0.01 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 -1.30 0.00 0.00 0.00 173.32 172.02 2k7j n THR 47 N 0.00 0.00 -3.71 2.61 -2.24 -1.26 -4.52 114.28 105.16 2k7j n THR 47 Ca 0.00 -1.38 -0.28 0.00 -2.27 0.00 0.00 64.05 60.11 2k7j n THR 47 Cb 0.00 0.84 -0.16 0.00 -2.10 0.00 0.00 70.33 68.91 2k7j n THR 47 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k7j s VAL 48 N -2.74 0.55 -0.76 2.28 1.01 -0.18 -0.34 120.40 120.22 2k7j s VAL 48 Ca 0.23 -0.84 -0.26 0.00 0.00 0.00 0.00 61.98 61.11 2k7j s VAL 48 Cb -0.01 -1.22 -0.07 0.00 0.00 0.00 0.00 36.38 35.08 2k7j s VAL 48 CO 0.16 -0.43 2.13 -1.10 0.00 0.00 0.00 175.10 175.86 2k7j s GLN 49 N 1.82 2.22 -0.15 2.72 -0.21 0.26 -1.90 119.66 124.43 2k7j s GLN 49 Ca 0.04 0.34 -0.05 0.00 0.02 0.00 0.00 55.36 55.71 2k7j s GLN 49 Cb -0.17 -4.79 -0.03 0.00 1.00 0.00 0.00 33.01 29.02 2k7j s GLN 49 CO -0.17 -3.56 0.02 0.20 -2.12 0.00 0.00 175.29 169.66 2k7j s GLY 50 N 9.47 1.85 0.06 3.09 0.00 0.40 -3.47 107.32 118.71 2k7j s GLY 50 Ca 0.80 -0.78 0.06 0.00 0.00 0.00 0.00 44.72 44.80 2k7j s GLY 50 CO 0.10 -0.17 -0.08 1.25 0.00 0.00 0.00 173.10 174.19 2k7j s LYS 51 N -0.04 2.31 -0.46 2.90 2.47 -1.03 -1.33 119.74 124.57 2k7j s LYS 51 Ca 0.04 -0.90 0.03 0.00 -1.56 0.00 0.00 55.97 53.57 2k7j s LYS 51 Cb -0.13 -2.39 0.14 0.00 -1.46 0.00 0.00 37.83 34.00 2k7j s LYS 51 CO 0.02 0.54 0.25 -0.51 0.16 0.00 0.00 175.35 175.81 2k7j s LEU 52 N -1.90 2.98 -0.31 5.43 1.43 0.58 -4.14 118.68 122.74 2k7j s LEU 52 Ca 0.20 -2.73 -0.12 0.00 -1.03 0.00 0.00 54.13 50.45 2k7j s LEU 52 Cb -0.11 -1.13 -0.03 0.00 0.03 0.00 0.00 46.19 44.94 2k7j s LEU 52 CO 0.12 -0.25 0.22 -1.10 0.23 0.00 0.00 176.35 175.56 2k7j s GLN 53 N 0.20 3.70 0.00 1.70 -0.21 -0.04 -2.67 119.66 122.34 2k7j s GLN 53 Ca 0.18 -0.49 0.00 0.00 0.02 0.00 0.00 55.36 55.07 2k7j s GLN 53 Cb -0.23 -3.74 0.00 0.00 1.00 0.00 0.00 33.01 30.04 2k7j s GLN 53 CO -0.01 -0.32 0.00 0.41 -2.12 0.00 0.00 175.29 173.25 2k7j n GLY 54 N 5.08 -1.55 3.73 3.09 0.00 -0.06 -1.51 105.19 113.98 2k7j n GLY 54 Ca -0.13 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.17 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 -1.98 4.38 0.54 1.61 0.04 -1.26 -0.24 135.00 138.08 2k7j s PRO 55 Ca 0.00 2.04 0.27 0.00 0.04 0.00 0.00 61.00 63.35 2k7j s PRO 55 Cb 0.00 -3.21 1.42 0.00 0.04 0.00 0.00 34.50 32.75 2k7j s PRO 55 CO 0.00 -0.29 1.98 0.82 0.04 0.00 0.00 177.00 179.55 2k7j h ILE 56 N 3.89 0.68 -0.80 0.56 2.04 -1.84 0.28 117.51 122.32 2k7j h ILE 56 Ca -0.44 0.00 0.23 0.00 1.00 0.00 0.00 64.86 65.65 2k7j h ILE 56 Cb 1.21 0.70 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2k7j h ILE 56 CO 0.79 0.00 0.57 -1.28 0.00 0.00 0.00 178.15 178.23 2k7j h SER 57 N 0.00 0.02 0.00 1.72 0.87 -1.88 0.21 113.55 114.48 2k7j h SER 57 Ca 0.27 0.00 -0.37 0.00 -1.23 0.00 0.00 61.79 60.47 2k7j h SER 57 Cb 1.12 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 63.02 2k7j h SER 57 CO -0.00 0.01 -2.37 0.29 -0.53 0.00 0.00 176.83 174.22 2k7j n LYS 58 N -4.31 0.59 -0.00 2.24 4.01 0.02 -4.40 118.16 116.31 2k7j n LYS 58 Ca 0.16 0.15 0.20 0.00 -0.51 0.00 0.00 58.31 58.31 2k7j n LYS 58 Cb 0.86 -1.47 0.68 0.00 -0.51 0.00 0.00 35.03 34.59 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 -0.13 0.74 -0.04 -0.18 2.07 -0.88 0.16 116.25 118.00 2k7j h VAL 59 Ca -0.55 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 66.97 2k7j h VAL 59 Cb 1.79 0.72 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2k7j h VAL 59 CO -0.13 0.00 0.04 0.03 0.02 0.00 0.00 177.57 177.54 2k7j h ARG 60 N 0.02 0.00 0.02 1.57 2.47 -1.18 0.11 114.38 117.39 2k7j h ARG 60 Ca 0.25 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.61 2k7j h ARG 60 Cb 0.98 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 29.24 2k7j h ARG 60 CO -0.01 0.00 -2.26 0.39 0.56 0.00 0.00 179.97 178.65 2k7j n GLU 61 N -3.99 0.68 0.20 0.04 -0.58 0.48 -4.11 120.64 113.36 2k7j n GLU 61 Ca -0.02 0.13 0.06 0.00 -0.42 0.00 0.00 57.16 56.91 2k7j n GLU 61 Cb 0.13 -1.59 0.43 0.00 -0.57 0.00 0.00 31.44 29.84 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 0.00 -0.10 3.49 4.05 -0.85 -1.78 114.93 119.75 2k7j h MET 62 Ca -0.50 0.00 -0.16 0.00 -0.28 0.00 0.00 59.70 58.76 2k7j h MET 62 Cb 2.06 0.00 -0.01 0.00 -0.80 0.00 0.00 31.60 32.85 2k7j h MET 62 CO 0.00 0.32 -0.61 -0.56 0.23 0.00 0.00 176.91 176.30 2k7j h GLN 63 N 0.00 0.36 0.01 0.39 3.07 -0.97 -1.99 115.11 115.97 2k7j h GLN 63 Ca -0.00 -0.24 -0.22 0.00 0.09 0.00 0.00 58.65 58.27 2k7j h GLN 63 Cb 0.69 0.04 -0.03 0.00 0.08 0.00 0.00 27.48 28.26 2k7j h GLN 63 CO 0.04 0.85 -1.08 -0.22 0.09 0.00 0.00 178.83 178.51 2k7j h LYS 64 N 0.26 0.02 0.00 0.06 1.63 -1.65 -3.04 116.57 113.86 2k7j h LYS 64 Ca -0.01 -0.04 -0.11 0.00 -0.85 0.00 0.00 60.65 59.65 2k7j h LYS 64 Cb 1.13 0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 32.76 2k7j h LYS 64 CO 0.10 0.97 -0.52 -1.49 -3.45 0.00 0.00 179.45 175.07 2k7j h TRP 65 N 0.01 0.00 -0.57 1.91 4.06 -1.28 -3.03 115.95 117.05 2k7j h TRP 65 Ca -0.04 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.91 2k7j h TRP 65 Cb 1.81 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 29.97 2k7j h TRP 65 CO 0.01 0.52 0.00 1.28 -3.56 0.00 0.00 178.44 176.68 2k7j n LEU 66 N -3.45 5.20 -0.07 -4.49 4.77 -0.75 -2.92 117.00 115.30 2k7j n LEU 66 Ca 0.00 -2.76 -0.14 0.00 -0.03 0.00 0.00 56.01 53.09 2k7j n LEU 66 Cb 0.64 -0.63 -0.05 0.00 -2.33 0.00 0.00 43.42 41.05 2k7j n LEU 66 CO 0.40 0.70 -0.94 1.21 -1.33 0.00 0.00 177.39 177.43 2k7j n GLU 67 N 0.70 0.28 -0.01 3.23 2.13 -1.15 -4.85 120.64 120.97 2k7j n GLU 67 Ca 0.26 0.12 0.00 0.00 0.66 0.00 0.00 57.16 58.21 2k7j n GLU 67 Cb 1.05 -0.98 -0.03 0.00 0.27 0.00 0.00 31.44 31.76 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 -3.62 0.10 -3.03 6.31 5.66 -1.20 -4.47 114.28 114.03 2k7j n THR 68 Ca -0.26 -0.10 -0.20 0.00 -3.05 0.00 0.00 64.05 60.44 2k7j n THR 68 Cb 0.67 -0.23 0.06 0.00 -1.55 0.00 0.00 70.33 69.29 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 -2.16 2.29 0.00 1.09 1.81 -1.15 -4.76 118.95 116.08 2k7j s ARG 69 Ca -0.01 -1.65 0.00 0.00 -1.72 0.00 0.00 55.73 52.35 2k7j s ARG 69 Cb 0.02 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.87 2k7j s ARG 69 CO 0.13 -0.88 0.00 0.41 -0.68 0.00 0.00 175.30 174.29 2k7j n GLY 70 N -2.26 0.18 3.51 -3.53 0.00 -1.22 -4.34 105.19 97.54 2k7j n GLY 70 Ca 0.16 -1.61 -0.32 0.00 0.00 0.00 0.00 46.02 44.25 2k7j n GLY 70 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2k7j n SER 71 N 1.69 -1.13 -0.05 1.61 7.64 -1.26 -4.94 113.62 117.18 2k7j n SER 71 Ca 0.00 0.33 -0.13 0.00 1.01 0.00 0.00 58.87 60.08 2k7j n SER 71 Cb 0.00 -1.31 -0.07 0.00 -1.01 0.00 0.00 64.21 61.82 2k7j n SER 71 CO 0.00 0.00 0.00 1.55 -3.01 0.00 0.00 175.04 173.58 2k7j h PRO 72 N -1.75 0.34 0.14 1.43 0.13 -2.01 -3.37 132.00 126.91 2k7j h PRO 72 Ca -0.44 -0.18 -0.01 0.00 -0.87 0.00 0.00 66.00 64.50 2k7j h PRO 72 Cb 1.28 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2k7j h PRO 72 CO 0.37 0.73 -0.07 1.49 -0.23 0.00 0.00 178.00 180.30 2k7j h GLU 73 N -0.04 -0.19 -6.15 0.86 4.57 -1.98 -3.42 114.58 108.24 2k7j h GLU 73 Ca 0.02 0.01 -0.58 0.00 -1.18 0.00 0.00 59.36 57.63 2k7j h GLU 73 Cb 0.67 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.28 2k7j h GLU 73 CO 0.03 -0.12 1.37 0.45 -1.18 0.00 0.00 179.01 179.56 2k7j s SER 74 N -3.32 5.69 0.05 1.04 0.15 -1.26 -4.97 113.70 111.08 2k7j s SER 74 Ca -0.03 1.54 -0.05 0.00 0.70 0.00 0.00 55.95 58.11 2k7j s SER 74 Cb 0.00 -2.52 -0.05 0.00 -1.71 0.00 0.00 66.02 61.74 2k7j s SER 74 CO 0.08 -1.83 0.29 -1.00 1.20 0.00 0.00 173.24 171.99 2k7j s HIS 75 N 7.54 3.54 -0.51 3.44 3.76 -1.26 -4.09 115.29 127.71 2k7j s HIS 75 Ca 0.88 0.53 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 2k7j s HIS 75 Cb -0.27 -1.96 0.13 0.00 1.11 0.00 0.00 32.58 31.59 2k7j s HIS 75 CO 0.34 0.56 0.26 0.42 -0.85 0.00 0.00 174.74 175.47 2k7j s ILE 76 N -1.42 2.78 0.07 0.60 1.01 -1.26 -1.58 121.20 121.40 2k7j s ILE 76 Ca 0.32 -3.06 -0.29 0.00 0.00 0.00 0.00 60.65 57.63 2k7j s ILE 76 Cb -0.13 -2.92 -0.17 0.00 0.01 0.00 0.00 42.46 39.25 2k7j s ILE 76 CO 0.20 -0.78 1.61 -0.78 0.00 0.00 0.00 174.94 175.19 2k7j h ASP 77 N 6.83 -0.45 -4.47 3.58 3.58 -1.87 -3.43 116.42 120.19 2k7j h ASP 77 Ca -0.06 -0.01 -0.27 0.00 0.42 0.00 0.00 57.03 57.11 2k7j h ASP 77 Cb 0.93 0.12 -0.16 0.00 1.72 0.00 0.00 39.33 41.93 2k7j h ASP 77 CO 0.67 -0.28 -0.71 -1.59 -2.88 0.00 0.00 179.24 174.45 2k7j s LYS 78 N -5.90 0.84 0.37 0.28 -2.85 -1.26 -4.99 119.74 106.23 2k7j s LYS 78 Ca -0.16 -1.25 -0.06 0.00 -1.00 0.00 0.00 55.97 53.50 2k7j s LYS 78 Cb 0.04 -0.35 0.02 0.00 -2.06 0.00 0.00 37.83 35.48 2k7j s LYS 78 CO 0.62 0.03 0.59 0.00 0.10 0.00 0.00 175.35 176.69 2k7j s ALA 79 N -3.07 0.34 -0.21 0.59 0.00 -1.26 -2.74 121.76 115.40 2k7j s ALA 79 Ca 0.09 -1.31 -0.32 0.00 0.00 0.00 0.00 51.96 50.42 2k7j s ALA 79 Cb 0.01 0.99 0.15 0.00 0.00 0.00 0.00 23.12 24.28 2k7j s ALA 79 CO -0.02 -0.86 1.21 1.21 0.00 0.00 0.00 175.76 177.30 2k7j s ASN 80 N -3.20 -0.15 0.29 0.00 3.04 -1.26 -5.00 114.94 108.66 2k7j s ASN 80 Ca 0.26 0.10 0.08 0.00 0.04 0.00 0.00 52.86 53.34 2k7j s ASN 80 Cb -0.02 0.14 -0.04 0.00 -1.54 0.00 0.00 41.25 39.79 2k7j s ASN 80 CO 0.18 -0.19 0.18 0.72 -3.04 0.00 0.00 177.10 174.96 2k7j s PHE 81 N -1.66 2.92 0.08 0.43 -0.12 -1.26 -4.47 117.98 113.90 2k7j s PHE 81 Ca 0.07 -0.23 0.01 0.00 -0.05 0.00 0.00 56.93 56.73 2k7j s PHE 81 Cb -0.01 -1.53 0.01 0.00 -0.63 0.00 0.00 43.02 40.86 2k7j s PHE 81 CO -0.04 0.41 0.07 1.63 -0.05 0.00 0.00 175.22 177.23 2k7j n LYS 82 N -1.19 1.32 -2.13 1.99 5.02 -1.18 -5.02 118.16 116.97 2k7j n LYS 82 Ca -0.05 -0.51 -0.36 0.00 -2.02 0.00 0.00 58.31 55.38 2k7j n LYS 82 Cb 0.59 0.04 -0.04 0.00 -0.02 0.00 0.00 35.03 35.61 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 -1.49 5.41 1.06 4.39 2.47 -1.26 -4.86 114.94 120.66 2k7j s ASN 83 Ca 0.05 -0.15 -0.17 0.00 0.42 0.00 0.00 52.86 53.01 2k7j s ASN 83 Cb -0.00 -2.54 0.08 0.00 -1.45 0.00 0.00 41.25 37.33 2k7j s ASN 83 CO 0.03 -2.37 0.11 -1.84 -3.72 0.00 0.00 177.10 169.32 2k7j n GLU 84 N 9.10 -1.16 -3.65 0.43 0.28 -1.26 -4.82 120.64 119.56 2k7j n GLU 84 Ca 0.25 -0.31 -0.27 0.00 -0.16 0.00 0.00 57.16 56.66 2k7j n GLU 84 Cb 0.50 -1.74 -0.17 0.00 1.43 0.00 0.00 31.44 31.47 2k7j n GLU 84 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 2k7j s LYS 85 N -3.48 0.28 0.09 3.44 -0.14 -0.88 -4.94 119.74 114.11 2k7j s LYS 85 Ca 0.56 -0.28 -0.31 0.00 -1.36 0.00 0.00 55.97 54.58 2k7j s LYS 85 Cb -0.15 -1.85 -0.08 0.00 -1.68 0.00 0.00 37.83 34.08 2k7j s LYS 85 CO 0.67 -0.72 1.45 0.08 -0.76 0.00 0.00 175.35 176.08 2k7j s VAL 86 N 2.03 3.27 0.31 3.17 1.01 -1.26 -0.15 120.40 128.77 2k7j s VAL 86 Ca 0.02 0.84 0.03 0.00 0.00 0.00 0.00 61.98 62.87 2k7j s VAL 86 Cb -0.16 -3.54 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2k7j s VAL 86 CO -0.13 0.04 0.14 0.27 0.00 0.00 0.00 175.10 175.43 2k7j s ILE 87 N 1.63 0.42 -0.09 2.22 -4.36 -0.53 -4.92 121.20 115.56 2k7j s ILE 87 Ca 0.66 -2.00 0.11 0.00 -0.26 0.00 0.00 60.65 59.17 2k7j s ILE 87 Cb -0.37 -2.53 -0.16 0.00 1.25 0.00 0.00 42.46 40.65 2k7j s ILE 87 CO 0.30 0.00 0.10 0.18 0.24 0.00 0.00 174.94 175.76 2k7j n LEU 88 N -0.60 0.00 -4.01 0.37 4.77 -1.26 -4.30 117.00 111.97 2k7j n LEU 88 Ca 0.00 0.00 -0.20 0.00 -0.03 0.00 0.00 56.01 55.79 2k7j n LEU 88 Cb 0.65 0.22 -0.15 0.00 -2.33 0.00 0.00 43.42 41.81 2k7j n LEU 88 CO 0.36 0.22 -0.44 -0.54 -1.33 0.00 0.00 177.39 175.66 2k7j s LYS 89 N -2.44 0.86 0.43 3.23 1.02 -1.26 -4.96 119.74 116.62 2k7j s LYS 89 Ca -0.06 -0.31 -0.19 0.00 0.02 0.00 0.00 55.97 55.43 2k7j s LYS 89 Cb 0.05 -0.82 -0.10 0.00 -0.52 0.00 0.00 37.83 36.44 2k7j s LYS 89 CO 0.50 0.15 0.91 -0.51 -0.92 0.00 0.00 175.35 175.48 2k7j s LEU 90 N 0.03 3.90 0.16 3.17 1.43 -1.26 -4.98 118.68 121.13 2k7j s LEU 90 Ca -0.00 1.57 0.14 0.00 -1.03 0.00 0.00 54.13 54.81 2k7j s LEU 90 Cb -0.06 -4.43 -0.06 0.00 0.03 0.00 0.00 46.19 41.66 2k7j s LEU 90 CO 0.00 -0.38 1.17 0.44 0.23 0.00 0.00 176.35 177.82 2k7j h ASP 91 N 1.76 0.00 -1.92 2.29 3.32 -1.99 -3.46 116.42 116.41 2k7j h ASP 91 Ca -0.48 0.00 -0.50 0.00 0.02 0.00 0.00 57.03 56.07 2k7j h ASP 91 Cb 1.18 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.69 2k7j h ASP 91 CO 0.62 0.63 -0.47 -0.31 -1.72 0.00 0.00 179.24 178.00 2k7j s TYR 92 N -2.89 2.94 -0.05 4.55 1.51 -1.26 -5.04 117.35 117.10 2k7j s TYR 92 Ca 0.01 -0.26 0.08 0.00 -1.01 0.00 0.00 57.07 55.88 2k7j s TYR 92 Cb 0.08 -1.71 -0.11 0.00 -0.11 0.00 0.00 41.96 40.12 2k7j s TYR 92 CO 0.78 0.26 0.08 0.43 -1.11 0.00 0.00 175.55 176.00 2k7j n SER 93 N -1.33 3.06 -3.64 2.29 7.64 -1.26 -4.96 113.62 115.43 2k7j n SER 93 Ca -0.03 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.71 2k7j n SER 93 Cb 0.59 0.94 -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 -1.81 -3.01 0.00 0.00 175.04 170.22 2k7j s ASP 94 N -3.62 -0.69 0.10 6.43 1.01 -1.26 -4.95 116.67 113.68 2k7j s ASP 94 Ca -0.04 1.29 -0.35 0.00 0.71 0.00 0.00 52.55 54.16 2k7j s ASP 94 Cb 0.03 1.29 -0.15 0.00 1.01 0.00 0.00 42.92 45.10 2k7j s ASP 94 CO 0.33 -0.27 1.51 0.33 0.21 0.00 0.00 175.17 177.28 2k7j n PHE 95 N 2.53 1.97 -4.28 4.23 -0.00 -1.24 -4.62 117.46 116.05 2k7j n PHE 95 Ca -0.14 0.41 -0.15 0.00 -0.00 0.00 0.00 57.45 57.56 2k7j n PHE 95 Cb 0.55 -2.46 -0.10 0.00 -0.00 0.00 0.00 39.48 37.47 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 1.02 1.26 -0.02 -4.13 0.74 -1.26 -4.93 119.66 112.34 2k7j s GLN 96 Ca 0.82 -1.64 -0.01 0.00 0.05 0.00 0.00 55.36 54.58 2k7j s GLN 96 Cb -0.80 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 32.96 2k7j s GLN 96 CO 0.43 -0.19 0.08 0.42 -0.55 0.00 0.00 175.29 175.47 2k7j s ILE 97 N -3.67 4.73 -0.04 -2.34 1.01 -1.26 -3.89 121.20 115.74 2k7j s ILE 97 Ca 0.30 -0.35 -0.19 0.00 0.00 0.00 0.00 60.65 60.41 2k7j s ILE 97 Cb 0.07 -3.14 -0.05 0.00 0.01 0.00 0.00 42.46 39.35 2k7j s ILE 97 CO 0.08 0.40 0.53 -0.69 0.00 0.00 0.00 174.94 175.26 2k7j s VAL 98 N -1.15 5.01 -2.38 2.92 1.01 -1.15 -4.96 120.40 119.71 2k7j s VAL 98 Ca 0.21 1.09 0.29 0.00 0.00 0.00 0.00 61.98 63.57 2k7j s VAL 98 Cb -0.12 -3.86 0.64 0.00 0.00 0.00 0.00 36.38 33.04 2k7j s VAL 98 CO 0.12 0.42 1.86 1.17 0.00 0.00 0.00 175.10 178.67