#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 3.33 -0.04 4.61 0.00 -1.26 -5.05 121.76 123.35 2k7j s ALA 2 Ca 0.00 0.31 -0.21 0.00 0.00 0.00 0.00 51.96 52.06 2k7j s ALA 2 Cb 0.00 -3.05 0.04 0.00 0.00 0.00 0.00 23.12 20.11 2k7j s ALA 2 CO 0.00 -0.00 0.45 -1.21 0.00 0.00 0.00 175.76 175.00 2k7j s GLU 3 N 0.22 0.80 0.00 0.00 2.02 -1.26 -4.99 118.70 115.49 2k7j s GLU 3 Ca 0.40 0.01 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2k7j s GLU 3 Cb -0.20 0.37 0.00 0.00 0.10 0.00 0.00 34.13 34.40 2k7j s GLU 3 CO 0.23 -0.23 0.00 0.41 0.02 0.00 0.00 175.26 175.69 2k7j n GLY 4 N 1.22 -0.82 3.32 -1.39 0.00 -1.26 -5.04 105.19 101.22 2k7j n GLY 4 Ca -0.20 -0.86 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 0.44 4.85 -4.07 1.61 3.02 -1.26 -4.28 115.26 115.57 2k7j n ASN 5 Ca 0.00 -2.94 -0.35 0.00 -0.03 0.00 0.00 54.58 51.25 2k7j n ASN 5 Cb 0.00 -1.66 -0.11 0.00 -0.61 0.00 0.00 39.78 37.41 2k7j n ASN 5 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2k7j s THR 6 N 2.89 3.43 -0.16 3.41 2.01 -1.26 -5.02 115.64 120.94 2k7j s THR 6 Ca 0.48 -2.90 -0.29 0.00 0.31 0.00 0.00 61.69 59.29 2k7j s THR 6 Cb 0.04 -3.28 -0.02 0.00 0.01 0.00 0.00 72.50 69.26 2k7j s THR 6 CO 0.02 -0.84 1.27 -0.76 -0.69 0.00 0.00 174.62 173.63 2k7j s LEU 7 N 0.06 4.19 0.00 4.42 1.43 -1.26 -1.21 118.68 126.30 2k7j s LEU 7 Ca 0.16 1.71 0.05 0.00 -1.03 0.00 0.00 54.13 55.02 2k7j s LEU 7 Cb -0.21 -3.54 -0.02 0.00 0.03 0.00 0.00 46.19 42.45 2k7j s LEU 7 CO -0.03 -0.76 0.18 2.30 0.23 0.00 0.00 176.35 178.27 2k7j n ILE 8 N 5.35 0.00 -3.38 -0.59 -5.35 0.11 -1.97 119.36 113.53 2k7j n ILE 8 Ca 0.14 -1.77 -0.12 0.00 -0.27 0.00 0.00 62.75 60.73 2k7j n ILE 8 Cb 0.45 0.81 -0.09 0.00 -1.74 0.00 0.00 39.64 39.07 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 -2.74 0.63 -0.12 7.28 1.04 0.82 -1.53 113.70 119.08 2k7j s SER 9 Ca 0.25 -0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.69 2k7j s SER 9 Cb 0.01 0.90 -0.00 0.00 0.10 0.00 0.00 66.02 67.03 2k7j s SER 9 CO 0.18 -0.32 -0.20 0.54 0.98 0.00 0.00 173.24 174.42 2k7j s VAL 10 N 2.48 2.33 0.24 5.02 0.11 -1.16 -0.79 120.40 128.63 2k7j s VAL 10 Ca 0.11 -0.91 0.08 0.00 -2.93 0.00 0.00 61.98 58.33 2k7j s VAL 10 Cb -0.15 -1.93 -0.04 0.00 -1.53 0.00 0.00 36.38 32.73 2k7j s VAL 10 CO -0.18 0.54 0.11 1.51 -3.33 0.00 0.00 175.10 173.76 2k7j s ASP 11 N 0.52 5.17 0.15 3.54 -4.77 -1.26 -1.15 116.67 118.87 2k7j s ASP 11 Ca -0.13 -0.36 -0.23 0.00 -3.30 0.00 0.00 52.55 48.53 2k7j s ASP 11 Cb -0.17 -1.21 0.08 0.00 -1.09 0.00 0.00 42.92 40.53 2k7j s ASP 11 CO 0.05 -0.00 1.09 -0.72 0.70 0.00 0.00 175.17 176.29 2k7j s TYR 12 N -2.10 0.08 -0.40 2.11 -0.85 -0.94 -2.79 117.35 112.47 2k7j s TYR 12 Ca 0.32 -0.43 0.02 0.00 -0.52 0.00 0.00 57.07 56.45 2k7j s TYR 12 Cb -0.08 0.68 0.15 0.00 0.38 0.00 0.00 41.96 43.09 2k7j s TYR 12 CO 0.23 -0.80 0.26 -1.83 -1.52 0.00 0.00 175.55 171.88 2k7j s GLU 13 N -2.05 0.85 0.48 -3.49 1.03 -1.26 -1.81 118.70 112.45 2k7j s GLU 13 Ca 0.25 -1.73 -0.22 0.00 0.03 0.00 0.00 54.97 53.30 2k7j s GLU 13 Cb -0.02 -1.61 -0.09 0.00 -0.80 0.00 0.00 34.13 31.60 2k7j s GLU 13 CO 0.04 -1.25 0.85 -0.89 -1.33 0.00 0.00 175.26 172.69 2k7j n ILE 14 N 3.57 2.56 -2.90 1.83 2.08 -1.05 -4.46 119.36 120.98 2k7j n ILE 14 Ca 0.16 -0.50 -0.02 0.00 0.56 0.00 0.00 62.75 62.95 2k7j n ILE 14 Cb 0.39 -0.98 0.01 0.00 -0.75 0.00 0.00 39.64 38.31 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 -0.98 -2.98 0.00 1.39 3.72 -1.07 -1.40 117.46 116.14 2k7j n PHE 15 Ca 0.11 -0.24 0.00 0.00 -0.05 0.00 0.00 57.45 57.27 2k7j n PHE 15 Cb 0.42 -0.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.89 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 4.16 -1.29 2.56 1.37 0.00 -1.26 -4.37 105.19 106.35 2k7j n GLY 16 Ca 0.02 -2.21 -0.36 0.00 0.00 0.00 0.00 46.02 43.47 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 -0.29 2.91 -0.66 1.61 2.85 -1.22 -4.55 118.16 118.81 2k7j n LYS 17 Ca 0.00 -2.09 0.02 0.00 -1.05 0.00 0.00 58.31 55.20 2k7j n LYS 17 Cb 0.00 -2.85 0.27 0.00 -0.65 0.00 0.00 35.03 31.80 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 4.33 2.02 0.00 0.58 0.24 -1.26 -4.09 118.33 120.14 2k7j n VAL 18 Ca 0.62 -1.03 0.00 0.00 -2.04 0.00 0.00 64.34 61.89 2k7j n VAL 18 Cb 0.26 -0.38 0.00 0.00 -1.47 0.00 0.00 33.84 32.25 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 0.32 0.00 0.00 7.34 6.02 -1.26 -4.73 117.38 125.06 2k7j n GLN 19 Ca 0.22 0.58 0.00 0.00 -0.01 0.00 0.00 57.00 57.80 2k7j n GLN 19 Cb 0.97 -1.39 0.00 0.00 1.02 0.00 0.00 30.24 30.84 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 -0.93 1.19 2.72 1.08 0.00 -1.26 -4.92 105.19 103.07 2k7j n GLY 20 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 2k7j n GLY 20 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2k7j n VAL 21 N 0.00 -6.55 0.27 1.61 0.31 -1.26 -4.88 118.33 107.82 2k7j n VAL 21 Ca 0.00 -0.90 0.18 0.00 -0.01 0.00 0.00 64.34 63.61 2k7j n VAL 21 Cb 0.00 -5.39 0.94 0.00 -0.91 0.00 0.00 33.84 28.48 2k7j n VAL 21 CO 0.00 0.00 0.00 2.19 -1.32 0.00 0.00 176.83 177.70 2k7j h PHE 22 N -0.80 0.00 0.00 3.52 -5.15 -1.98 -3.14 116.94 109.40 2k7j h PHE 22 Ca -0.42 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.35 2k7j h PHE 22 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.39 2k7j h PHE 22 CO 0.22 0.00 0.00 1.19 -2.00 0.00 0.00 178.31 177.72 2k7j n PHE 23 N -3.49 0.00 -2.43 6.09 3.01 -1.26 -4.80 117.46 114.57 2k7j n PHE 23 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 57.45 58.33 2k7j n PHE 23 Cb 0.24 -0.25 -0.01 0.00 -0.01 0.00 0.00 39.48 39.45 2k7j n PHE 23 CO 0.00 0.00 0.00 0.54 1.01 0.00 0.00 176.76 178.31 2k7j n ARG 24 N -1.58 -2.21 -0.07 -1.08 1.74 -1.19 -4.79 116.66 107.49 2k7j n ARG 24 Ca 0.00 0.60 -0.07 0.00 -0.77 0.00 0.00 57.85 57.62 2k7j n ARG 24 Cb 0.00 -5.20 -0.10 0.00 -1.02 0.00 0.00 32.46 26.14 2k7j n ARG 24 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2k7j n LYS 25 N -2.80 1.75 -0.60 5.56 4.81 -1.26 -4.44 118.16 121.18 2k7j n LYS 25 Ca -0.15 -0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.36 2k7j n LYS 25 Cb 0.61 -1.34 0.31 0.00 0.02 0.00 0.00 35.03 34.62 2k7j n LYS 25 CO 0.00 0.00 0.00 0.72 1.17 0.00 0.00 177.40 179.29 2k7j n HIS 26 N -2.52 1.42 -0.02 5.64 8.25 -1.26 -3.79 115.22 122.94 2k7j n HIS 26 Ca -0.22 -0.53 0.00 0.00 -0.26 0.00 0.00 57.72 56.71 2k7j n HIS 26 Cb 0.93 -0.31 -0.07 0.00 1.12 0.00 0.00 29.99 31.66 2k7j n HIS 26 CO 0.00 0.00 0.00 -2.37 0.64 0.00 0.00 176.34 174.61 2k7j n THR 27 N 0.70 0.29 -0.03 1.59 5.66 -1.26 -4.45 114.28 116.78 2k7j n THR 27 Ca 0.21 -0.28 -0.14 0.00 -3.05 0.00 0.00 64.05 60.80 2k7j n THR 27 Cb 0.87 -0.26 -0.14 0.00 -1.55 0.00 0.00 70.33 69.25 2k7j n THR 27 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2k7j n GLN 28 N -2.06 0.68 0.25 1.09 -0.00 -1.26 -4.06 117.38 112.03 2k7j n GLN 28 Ca -0.08 0.25 0.12 0.00 -0.00 0.00 0.00 57.00 57.28 2k7j n GLN 28 Cb 0.51 -1.72 0.63 0.00 -0.00 0.00 0.00 30.24 29.65 2k7j n GLN 28 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2k7j h ALA 29 N 0.61 1.18 -1.00 2.61 0.00 -1.83 -2.93 119.26 117.91 2k7j h ALA 29 Ca -0.38 -0.15 0.17 0.00 0.00 0.00 0.00 54.91 54.55 2k7j h ALA 29 Cb 2.04 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 19.70 2k7j h ALA 29 CO 0.07 0.21 0.62 1.49 0.00 0.00 0.00 179.25 181.63 2k7j h GLU 30 N 0.00 0.81 -0.05 0.00 4.81 -1.78 -1.00 114.58 117.37 2k7j h GLU 30 Ca -0.00 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2k7j h GLU 30 Cb 0.49 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.69 2k7j h GLU 30 CO 0.02 0.53 -0.28 0.78 -0.73 0.00 0.00 179.01 179.33 2k7j h GLY 31 N 0.83 0.31 1.34 1.92 0.00 -1.75 -3.18 103.07 102.53 2k7j h GLY 31 Ca 0.56 -0.44 0.09 0.00 0.00 0.00 0.00 47.33 47.53 2k7j h GLY 31 CO -0.35 0.39 0.25 0.50 0.00 0.00 0.00 176.54 177.33 2k7j h LYS 32 N -0.26 0.00 0.00 4.80 1.79 -1.45 0.12 116.57 121.57 2k7j h LYS 32 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.44 2k7j h LYS 32 Cb 0.95 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.60 2k7j h LYS 32 CO 0.06 0.00 -0.05 -0.22 -1.08 0.00 0.00 179.45 178.15 2k7j h LYS 33 N 0.00 0.00 0.00 3.15 1.63 -1.19 -2.80 116.57 117.37 2k7j h LYS 33 Ca 0.14 0.00 -0.32 0.00 -0.85 0.00 0.00 60.65 59.63 2k7j h LYS 33 Cb 0.64 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 32.21 2k7j h LYS 33 CO -0.00 0.05 -2.26 1.28 -3.45 0.00 0.00 179.45 175.07 2k7j n LEU 34 N -4.33 0.00 0.00 5.20 4.77 0.20 -5.02 117.00 117.82 2k7j n LEU 34 Ca -0.03 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.95 2k7j n LEU 34 Cb 0.14 0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 2k7j n LEU 34 CO 0.33 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.43 2k7j n GLY 35 N 1.80 1.41 3.72 -0.72 0.00 0.07 -5.03 105.19 106.44 2k7j n GLY 35 Ca -0.29 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.44 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 2.69 0.00 0.99 1.43 -0.85 -4.89 118.68 118.06 2k7j s LEU 36 Ca 0.00 -1.41 0.03 0.00 -1.03 0.00 0.00 54.13 51.72 2k7j s LEU 36 Cb 0.00 -0.96 -0.01 0.00 0.03 0.00 0.00 46.19 45.25 2k7j s LEU 36 CO 0.00 -0.67 0.10 1.33 0.23 0.00 0.00 176.35 177.34 2k7j n VAL 37 N -1.19 0.00 0.00 -1.59 0.24 -0.92 -3.92 118.33 110.95 2k7j n VAL 37 Ca -0.09 -1.73 0.00 0.00 -2.04 0.00 0.00 64.34 60.48 2k7j n VAL 37 Cb 0.66 0.61 0.00 0.00 -1.47 0.00 0.00 33.84 33.65 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 0.07 0.30 3.68 7.63 0.00 -1.26 -2.51 105.19 113.11 2k7j n GLY 38 Ca -0.04 -0.77 0.01 0.00 0.00 0.00 0.00 46.02 45.22 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 -0.04 -0.17 1.61 -2.14 -1.26 -3.52 118.94 113.42 2k7j s TRP 39 Ca 0.00 -0.10 -0.05 0.00 2.66 0.00 0.00 56.10 58.60 2k7j s TRP 39 Cb 0.00 0.57 0.08 0.00 -3.10 0.00 0.00 33.47 31.02 2k7j s TRP 39 CO 0.00 -0.38 0.33 0.54 -2.66 0.00 0.00 176.95 174.78 2k7j s VAL 40 N -2.50 -0.52 0.04 -0.66 0.11 -1.23 -3.39 120.40 112.25 2k7j s VAL 40 Ca 0.16 0.20 0.00 0.00 -2.93 0.00 0.00 61.98 59.41 2k7j s VAL 40 Cb 0.03 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.28 2k7j s VAL 40 CO -0.02 0.07 -0.04 0.00 -3.33 0.00 0.00 175.10 171.77 2k7j s GLN 41 N 2.51 0.48 -0.05 1.54 -2.07 -1.20 -2.82 119.66 118.04 2k7j s GLN 41 Ca 0.01 -0.85 -0.10 0.00 -1.82 0.00 0.00 55.36 52.60 2k7j s GLN 41 Cb -0.12 0.00 -0.05 0.00 -1.09 0.00 0.00 33.01 31.75 2k7j s GLN 41 CO -0.11 -0.04 0.27 1.21 -1.32 0.00 0.00 175.29 175.31 2k7j s ASN 42 N -1.96 6.59 0.06 12.60 2.47 -1.26 -1.73 114.94 131.70 2k7j s ASN 42 Ca -0.07 0.70 0.03 0.00 0.42 0.00 0.00 52.86 53.94 2k7j s ASN 42 Cb -0.05 -2.15 -0.04 0.00 -1.45 0.00 0.00 41.25 37.56 2k7j s ASN 42 CO -0.03 0.36 0.02 0.42 -3.72 0.00 0.00 177.10 174.15 2k7j s THR 43 N -1.08 4.23 0.36 -5.21 -4.23 -0.12 -4.94 115.64 104.64 2k7j s THR 43 Ca 0.20 -0.79 0.04 0.00 -1.18 0.00 0.00 61.69 59.97 2k7j s THR 43 Cb -0.14 -2.98 0.22 0.00 1.34 0.00 0.00 72.50 70.94 2k7j s THR 43 CO 0.09 0.21 1.96 0.44 -0.54 0.00 0.00 174.62 176.78 2k7j h ASP 44 N 3.70 0.57 -0.33 3.99 3.32 -1.96 -2.71 116.42 123.00 2k7j h ASP 44 Ca -0.48 -0.06 0.04 0.00 0.02 0.00 0.00 57.03 56.55 2k7j h ASP 44 Cb 1.17 -0.15 -0.04 0.00 0.22 0.00 0.00 39.33 40.54 2k7j h ASP 44 CO 0.61 0.51 0.11 -0.09 -1.72 0.00 0.00 179.24 178.66 2k7j h ARG 45 N 0.64 0.25 0.00 3.56 2.43 -2.01 -3.46 114.38 115.78 2k7j h ARG 45 Ca 0.16 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.31 2k7j h ARG 45 Cb 0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2k7j h ARG 45 CO -0.02 0.16 0.00 0.41 -1.51 0.00 0.00 179.97 179.02 2k7j n GLY 46 N -1.21 0.28 3.40 2.80 0.00 -1.02 -5.10 105.19 104.34 2k7j n GLY 46 Ca 0.01 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.38 0.00 -0.25 2.61 -4.23 -1.25 -4.29 115.64 107.85 2k7j s THR 47 Ca 0.00 -1.77 -0.01 0.00 -1.18 0.00 0.00 61.69 58.74 2k7j s THR 47 Cb 0.00 -2.59 0.07 0.00 1.34 0.00 0.00 72.50 71.32 2k7j s THR 47 CO 0.00 0.00 0.02 -0.69 -0.54 0.00 0.00 174.62 173.41 2k7j s VAL 48 N -3.19 1.07 -0.69 2.29 1.01 -0.50 -0.94 120.40 119.45 2k7j s VAL 48 Ca 0.35 -1.14 -0.26 0.00 0.00 0.00 0.00 61.98 60.93 2k7j s VAL 48 Cb 0.01 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.78 2k7j s VAL 48 CO 0.24 -0.34 1.88 -1.10 0.00 0.00 0.00 175.10 175.78 2k7j s GLN 49 N 1.57 2.62 0.03 2.72 -1.52 -0.71 -2.52 119.66 121.85 2k7j s GLN 49 Ca 0.01 0.36 0.09 0.00 -1.95 0.00 0.00 55.36 53.87 2k7j s GLN 49 Cb -0.18 -4.57 -0.03 0.00 -0.22 0.00 0.00 33.01 28.02 2k7j s GLN 49 CO -0.12 -2.89 -0.26 0.20 -0.25 0.00 0.00 175.29 171.96 2k7j s GLY 50 N 8.03 1.39 0.08 3.09 0.00 -0.75 -3.23 107.32 115.93 2k7j s GLY 50 Ca 0.67 -1.24 0.08 0.00 0.00 0.00 0.00 44.72 44.23 2k7j s GLY 50 CO 0.15 -1.11 -0.16 1.25 0.00 0.00 0.00 173.10 173.23 2k7j s LYS 51 N -1.14 1.98 -0.59 2.90 2.47 -1.22 -2.21 119.74 121.93 2k7j s LYS 51 Ca 0.12 -1.06 0.04 0.00 -1.56 0.00 0.00 55.97 53.50 2k7j s LYS 51 Cb -0.10 -2.19 0.15 0.00 -1.46 0.00 0.00 37.83 34.23 2k7j s LYS 51 CO 0.02 0.51 0.38 -0.51 0.16 0.00 0.00 175.35 175.90 2k7j s LEU 52 N -1.88 4.16 -0.15 5.43 1.43 -0.30 -4.20 118.68 123.16 2k7j s LEU 52 Ca 0.17 -3.38 -0.16 0.00 -1.03 0.00 0.00 54.13 49.74 2k7j s LEU 52 Cb -0.11 -1.48 -0.04 0.00 0.03 0.00 0.00 46.19 44.59 2k7j s LEU 52 CO 0.09 -0.16 0.38 -1.10 0.23 0.00 0.00 176.35 175.79 2k7j s GLN 53 N -0.76 4.28 0.00 1.70 -0.21 -1.04 -3.00 119.66 120.64 2k7j s GLN 53 Ca 0.22 0.25 0.00 0.00 0.02 0.00 0.00 55.36 55.85 2k7j s GLN 53 Cb -0.13 -3.44 0.00 0.00 1.00 0.00 0.00 33.01 30.44 2k7j s GLN 53 CO -0.09 0.17 0.00 0.41 -2.12 0.00 0.00 175.29 173.66 2k7j n GLY 54 N 3.40 0.40 3.77 3.09 0.00 -0.58 -2.16 105.19 113.11 2k7j n GLY 54 Ca -0.10 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.82 2k7j n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7j s PRO 55 N -2.00 4.40 0.48 1.61 0.04 -1.26 -0.71 135.00 137.56 2k7j s PRO 55 Ca 0.00 2.03 0.18 0.00 0.04 0.00 0.00 61.00 63.24 2k7j s PRO 55 Cb 0.00 -3.05 1.18 0.00 0.04 0.00 0.00 34.50 32.67 2k7j s PRO 55 CO 0.00 -0.08 2.05 0.82 0.04 0.00 0.00 177.00 179.83 2k7j h ILE 56 N 2.94 0.98 -0.80 0.56 2.04 -1.41 -2.10 117.51 119.72 2k7j h ILE 56 Ca -0.48 -0.45 0.23 0.00 1.00 0.00 0.00 64.86 65.15 2k7j h ILE 56 Cb 1.22 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.52 2k7j h ILE 56 CO 0.65 0.13 0.57 0.28 0.00 0.00 0.00 178.15 179.78 2k7j h SER 57 N 0.00 0.01 0.00 1.72 0.02 -1.85 0.10 113.55 113.55 2k7j h SER 57 Ca -0.00 0.00 -0.37 0.00 -0.84 0.00 0.00 61.79 60.58 2k7j h SER 57 Cb 0.24 -0.00 -0.07 0.00 0.14 0.00 0.00 62.40 62.71 2k7j h SER 57 CO 0.02 0.00 -2.42 0.29 -1.14 0.00 0.00 176.83 173.58 2k7j n LYS 58 N -4.30 0.67 0.26 3.45 4.01 -0.85 -4.36 118.16 117.03 2k7j n LYS 58 Ca 0.16 0.10 0.10 0.00 -0.51 0.00 0.00 58.31 58.17 2k7j n LYS 58 Cb 0.86 -1.51 0.69 0.00 -0.51 0.00 0.00 35.03 34.57 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 0.90 0.00 -0.18 2.07 -0.73 -0.35 116.25 117.96 2k7j h VAL 59 Ca -0.56 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 2k7j h VAL 59 Cb 1.96 0.99 -0.00 0.00 -1.52 0.00 0.00 31.29 32.72 2k7j h VAL 59 CO -0.06 0.00 -0.10 0.03 0.02 0.00 0.00 177.57 177.46 2k7j h ARG 60 N 0.00 0.00 0.00 1.57 2.47 -1.02 -2.44 114.38 114.95 2k7j h ARG 60 Ca 0.01 0.00 -0.21 0.00 -1.26 0.00 0.00 59.98 58.52 2k7j h ARG 60 Cb 0.04 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.33 2k7j h ARG 60 CO -0.00 0.10 -2.02 0.39 0.56 0.00 0.00 179.97 179.00 2k7j n GLU 61 N -3.78 0.66 -0.09 0.04 -0.58 -0.24 -4.27 120.64 112.38 2k7j n GLU 61 Ca -0.02 -0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.71 2k7j n GLU 61 Cb 0.20 -1.60 0.26 0.00 -0.57 0.00 0.00 31.44 29.74 2k7j n GLU 61 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2k7j h MET 62 N 0.00 0.74 -0.77 3.49 2.86 -0.82 -1.64 114.93 118.79 2k7j h MET 62 Ca -0.29 -0.11 0.13 0.00 -2.06 0.00 0.00 59.70 57.37 2k7j h MET 62 Cb 1.71 -0.13 -0.09 0.00 0.06 0.00 0.00 31.60 33.15 2k7j h MET 62 CO 0.03 0.62 0.35 -0.56 1.06 0.00 0.00 176.91 178.41 2k7j h GLN 63 N 0.73 0.52 0.12 1.72 3.07 -1.68 0.13 115.11 119.72 2k7j h GLN 63 Ca 0.17 -0.03 -0.28 0.00 0.09 0.00 0.00 58.65 58.60 2k7j h GLN 63 Cb 0.17 -0.12 0.01 0.00 0.08 0.00 0.00 27.48 27.63 2k7j h GLN 63 CO -0.01 0.34 -1.22 0.87 0.09 0.00 0.00 178.83 178.90 2k7j h LYS 64 N 0.54 0.40 0.00 0.06 1.57 -1.71 -2.75 116.57 114.68 2k7j h LYS 64 Ca 0.41 -0.59 -0.02 0.00 -1.87 0.00 0.00 60.65 58.57 2k7j h LYS 64 Cb 0.56 0.21 -0.00 0.00 0.08 0.00 0.00 32.23 33.08 2k7j h LYS 64 CO -0.35 1.26 -0.10 -1.49 -0.57 0.00 0.00 179.45 178.20 2k7j h TRP 65 N 0.15 0.00 -0.49 -1.35 4.06 -0.34 0.42 115.95 118.40 2k7j h TRP 65 Ca -0.15 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.80 2k7j h TRP 65 Cb 1.91 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 30.07 2k7j h TRP 65 CO 0.08 0.10 0.00 1.28 -3.56 0.00 0.00 178.44 176.34 2k7j n LEU 66 N -4.10 3.90 -0.02 -4.49 4.77 0.35 -3.10 117.00 114.32 2k7j n LEU 66 Ca -0.03 -2.35 -0.03 0.00 -0.03 0.00 0.00 56.01 53.58 2k7j n LEU 66 Cb 0.18 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 40.81 2k7j n LEU 66 CO 0.33 0.78 -0.63 1.21 -1.33 0.00 0.00 177.39 177.75 2k7j n GLU 67 N 0.69 0.09 -0.00 3.23 2.13 -0.47 -4.79 120.64 121.52 2k7j n GLU 67 Ca 0.20 0.03 -0.00 0.00 0.66 0.00 0.00 57.16 58.04 2k7j n GLU 67 Cb 0.70 -0.99 -0.01 0.00 0.27 0.00 0.00 31.44 31.42 2k7j n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.41 0.00 0.00 177.13 174.35 2k7j n THR 68 N -2.73 0.05 -1.79 6.31 5.66 0.01 -4.72 114.28 117.08 2k7j n THR 68 Ca -0.07 -0.03 -0.39 0.00 -3.05 0.00 0.00 64.05 60.51 2k7j n THR 68 Cb 0.57 -0.96 0.05 0.00 -1.55 0.00 0.00 70.33 68.44 2k7j n THR 68 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2k7j n ARG 69 N -2.05 2.73 -1.38 1.09 5.12 -1.13 -5.00 116.66 116.04 2k7j n ARG 69 Ca -0.01 -3.46 -0.29 0.00 -1.93 0.00 0.00 57.85 52.16 2k7j n ARG 69 Cb 0.52 -2.27 0.17 0.00 -1.16 0.00 0.00 32.46 29.72 2k7j n ARG 69 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2k7j s GLY 70 N -1.24 1.59 0.97 -0.13 0.00 -1.18 -4.55 107.32 102.78 2k7j s GLY 70 Ca 0.55 -0.61 -0.13 0.00 0.00 0.00 0.00 44.72 44.53 2k7j s GLY 70 CO -0.33 0.04 0.33 -1.14 0.00 0.00 0.00 173.10 172.00 2k7j n SER 71 N -4.07 -2.23 0.16 1.64 3.41 -1.24 -4.86 113.62 106.44 2k7j n SER 71 Ca 0.08 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.10 2k7j n SER 71 Cb 0.59 -1.17 0.54 0.00 -0.26 0.00 0.00 64.21 63.90 2k7j n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7j h PRO 72 N -1.59 0.00 0.00 4.33 0.13 -1.94 -3.34 132.00 129.58 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 1.29 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.42 2k7j h PRO 72 CO 0.34 0.00 -0.51 0.39 -0.23 0.00 0.00 178.00 178.00 2k7j n GLU 73 N -2.41 0.27 -2.25 0.86 4.71 -1.26 -4.93 120.64 115.63 2k7j n GLU 73 Ca 0.02 0.11 -0.43 0.00 -0.01 0.00 0.00 57.16 56.85 2k7j n GLU 73 Cb 0.24 -0.94 -0.02 0.00 -1.01 0.00 0.00 31.44 29.71 2k7j n GLU 73 CO 0.00 0.00 0.00 0.45 0.09 0.00 0.00 177.13 177.67 2k7j s SER 74 N -5.27 6.60 0.52 1.62 0.15 -1.26 -5.00 113.70 111.06 2k7j s SER 74 Ca -0.15 1.58 -0.06 0.00 0.70 0.00 0.00 55.95 58.02 2k7j s SER 74 Cb 0.02 -2.54 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 2k7j s SER 74 CO 0.22 -1.08 0.84 -2.28 1.20 0.00 0.00 173.24 172.14 2k7j s HIS 75 N 4.53 3.52 -0.46 3.44 2.46 -1.26 -3.65 115.29 123.87 2k7j s HIS 75 Ca 0.64 0.85 0.04 0.00 0.47 0.00 0.00 55.06 57.07 2k7j s HIS 75 Cb -0.23 -2.44 0.17 0.00 -0.13 0.00 0.00 32.58 29.96 2k7j s HIS 75 CO 0.25 -0.43 0.37 0.42 -2.47 0.00 0.00 174.74 172.87 2k7j s ILE 76 N -2.85 0.77 0.47 0.89 1.01 -1.26 -3.42 121.20 116.81 2k7j s ILE 76 Ca 0.50 -2.92 0.26 0.00 0.00 0.00 0.00 60.65 58.49 2k7j s ILE 76 Cb -0.10 -1.53 0.30 0.00 0.01 0.00 0.00 42.46 41.13 2k7j s ILE 76 CO 0.46 -1.20 2.12 0.44 0.00 0.00 0.00 174.94 176.76 2k7j h ASP 77 N 5.60 0.00 -3.59 3.58 3.32 -1.86 -3.44 116.42 120.03 2k7j h ASP 77 Ca 0.25 0.00 0.01 0.00 0.02 0.00 0.00 57.03 57.31 2k7j h ASP 77 Cb 0.88 0.00 -0.24 0.00 0.22 0.00 0.00 39.33 40.20 2k7j h ASP 77 CO 0.43 0.09 0.29 -1.59 -1.72 0.00 0.00 179.24 176.74 2k7j s LYS 78 N -4.38 0.67 0.41 3.56 -2.85 -1.26 -5.05 119.74 110.84 2k7j s LYS 78 Ca -0.04 0.80 0.04 0.00 -1.00 0.00 0.00 55.97 55.77 2k7j s LYS 78 Cb 0.14 0.33 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 2k7j s LYS 78 CO 0.59 -0.08 0.12 0.00 0.10 0.00 0.00 175.35 176.08 2k7j s ALA 79 N 0.32 2.98 -0.21 0.59 0.00 -1.26 -2.60 121.76 121.58 2k7j s ALA 79 Ca 0.01 -1.22 -0.32 0.00 0.00 0.00 0.00 51.96 50.44 2k7j s ALA 79 Cb -0.05 0.71 0.15 0.00 0.00 0.00 0.00 23.12 23.93 2k7j s ALA 79 CO -0.03 -0.32 1.21 1.21 0.00 0.00 0.00 175.76 177.83 2k7j s ASN 80 N -3.62 -0.16 0.35 0.00 3.84 -1.26 -4.98 114.94 109.11 2k7j s ASN 80 Ca 0.23 0.10 0.08 0.00 0.21 0.00 0.00 52.86 53.48 2k7j s ASN 80 Cb 0.03 0.14 -0.03 0.00 -0.55 0.00 0.00 41.25 40.84 2k7j s ASN 80 CO 0.14 -0.20 0.27 0.72 -2.79 0.00 0.00 177.10 175.24 2k7j s PHE 81 N -1.69 2.84 0.00 0.43 -0.12 -1.26 -4.35 117.98 113.82 2k7j s PHE 81 Ca 0.07 -0.34 0.00 0.00 -0.05 0.00 0.00 56.93 56.61 2k7j s PHE 81 Cb -0.01 -1.80 0.00 0.00 -0.63 0.00 0.00 43.02 40.58 2k7j s PHE 81 CO -0.04 0.19 0.00 1.63 -0.05 0.00 0.00 175.22 176.94 2k7j n LYS 82 N -1.34 0.00 -3.37 1.99 4.76 -1.12 -5.02 118.16 114.06 2k7j n LYS 82 Ca -0.02 0.00 0.02 0.00 -2.87 0.00 0.00 58.31 55.44 2k7j n LYS 82 Cb 0.60 -0.29 -0.04 0.00 -1.84 0.00 0.00 35.03 33.46 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 -3.31 -0.37 0.99 4.39 3.84 -1.26 -5.06 114.94 114.16 2k7j s ASN 83 Ca 0.00 0.52 -0.12 0.00 0.21 0.00 0.00 52.86 53.47 2k7j s ASN 83 Cb 0.00 1.38 0.18 0.00 -0.55 0.00 0.00 41.25 42.26 2k7j s ASN 83 CO 0.00 -0.07 1.09 -1.83 -2.79 0.00 0.00 177.10 173.50 2k7j s GLU 84 N 2.12 0.53 -0.23 0.43 -1.05 -1.26 -4.22 118.70 115.01 2k7j s GLU 84 Ca -0.03 0.57 -0.04 0.00 -0.15 0.00 0.00 54.97 55.33 2k7j s GLU 84 Cb -0.04 -1.74 0.12 0.00 -0.44 0.00 0.00 34.13 32.03 2k7j s GLU 84 CO -0.16 -2.68 0.36 0.21 0.95 0.00 0.00 175.26 173.94 2k7j s LYS 85 N -4.95 0.31 -0.15 -4.83 2.47 0.03 -4.88 119.74 107.74 2k7j s LYS 85 Ca 0.65 0.57 -0.29 0.00 -1.56 0.00 0.00 55.97 55.34 2k7j s LYS 85 Cb -0.19 -0.44 -0.05 0.00 -1.46 0.00 0.00 37.83 35.69 2k7j s LYS 85 CO 0.58 -0.57 1.88 0.08 0.16 0.00 0.00 175.35 177.47 2k7j s VAL 86 N 2.52 3.32 -0.00 4.02 1.01 -1.26 -0.13 120.40 129.88 2k7j s VAL 86 Ca 0.09 0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.51 2k7j s VAL 86 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.88 2k7j s VAL 86 CO -0.14 -0.14 -0.23 0.27 0.00 0.00 0.00 175.10 174.86 2k7j s ILE 87 N 5.85 1.79 0.29 2.22 -4.36 -0.83 -4.95 121.20 121.21 2k7j s ILE 87 Ca 0.84 -1.04 -0.02 0.00 -0.26 0.00 0.00 60.65 60.17 2k7j s ILE 87 Cb -0.32 -1.51 0.24 0.00 1.25 0.00 0.00 42.46 42.12 2k7j s ILE 87 CO 0.34 0.44 1.93 -0.07 0.24 0.00 0.00 174.94 177.83 2k7j h LEU 88 N 5.39 0.92 -7.57 0.37 4.07 -1.94 -3.40 115.31 113.14 2k7j h LEU 88 Ca -0.41 -0.05 -0.14 0.00 0.08 0.00 0.00 57.88 57.35 2k7j h LEU 88 Cb 1.14 -0.23 -0.22 0.00 1.08 0.00 0.00 40.66 42.42 2k7j h LEU 88 CO 0.47 0.71 -0.41 -0.54 -1.08 0.00 0.00 178.44 177.60 2k7j s LYS 89 N -5.78 0.46 0.29 1.13 1.02 -1.26 -4.98 119.74 110.62 2k7j s LYS 89 Ca -0.11 -0.05 -0.29 0.00 0.02 0.00 0.00 55.97 55.54 2k7j s LYS 89 Cb 0.17 0.20 -0.10 0.00 -0.52 0.00 0.00 37.83 37.59 2k7j s LYS 89 CO 0.80 -0.10 1.31 -0.51 -0.92 0.00 0.00 175.35 175.92 2k7j s LEU 90 N -0.77 4.43 0.36 3.17 1.43 -1.26 -4.92 118.68 121.12 2k7j s LEU 90 Ca -0.09 2.59 0.18 0.00 -1.03 0.00 0.00 54.13 55.78 2k7j s LEU 90 Cb -0.05 -3.63 0.60 0.00 0.03 0.00 0.00 46.19 43.14 2k7j s LEU 90 CO 0.02 -0.52 1.70 0.44 0.23 0.00 0.00 176.35 178.21 2k7j h ASP 91 N 4.10 0.00 -3.10 2.29 3.32 -1.99 -3.44 116.42 117.59 2k7j h ASP 91 Ca -0.47 0.00 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 2k7j h ASP 91 Cb 1.22 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.75 2k7j h ASP 91 CO 0.70 0.40 -0.21 -0.31 -1.72 0.00 0.00 179.24 178.10 2k7j s TYR 92 N -3.54 3.48 -0.20 4.55 1.51 -1.26 -5.02 117.35 116.87 2k7j s TYR 92 Ca 0.00 0.56 0.15 0.00 -1.01 0.00 0.00 57.07 56.77 2k7j s TYR 92 Cb 0.11 -2.03 -0.23 0.00 -0.11 0.00 0.00 41.96 39.70 2k7j s TYR 92 CO 0.70 0.26 0.03 0.45 -1.11 0.00 0.00 175.55 175.88 2k7j n SER 93 N -0.71 0.39 -3.56 2.29 2.88 -1.26 -4.95 113.62 108.68 2k7j n SER 93 Ca -0.03 -0.02 -0.15 0.00 -1.33 0.00 0.00 58.87 57.35 2k7j n SER 93 Cb 0.54 0.80 -0.06 0.00 -0.75 0.00 0.00 64.21 64.73 2k7j n SER 93 CO 0.00 0.00 0.00 1.51 -1.23 0.00 0.00 175.04 175.32 2k7j s ASP 94 N -5.57 -0.59 -0.10 -3.46 -4.77 -1.26 -5.00 116.67 95.92 2k7j s ASP 94 Ca -0.13 0.79 -0.32 0.00 -3.30 0.00 0.00 52.55 49.59 2k7j s ASP 94 Cb 0.06 0.69 -0.10 0.00 -1.09 0.00 0.00 42.92 42.48 2k7j s ASP 94 CO 0.78 -0.44 2.00 0.33 0.70 0.00 0.00 175.17 178.54 2k7j n PHE 95 N 1.32 2.26 -4.58 2.11 -0.00 -1.26 -4.52 117.46 112.78 2k7j n PHE 95 Ca -0.15 -0.12 -0.27 0.00 -0.00 0.00 0.00 57.45 56.91 2k7j n PHE 95 Cb 0.57 -2.71 -0.11 0.00 -0.00 0.00 0.00 39.48 37.23 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 4.81 1.89 -0.02 -4.13 0.74 -1.23 -4.96 119.66 116.77 2k7j s GLN 96 Ca 0.95 -2.06 0.03 0.00 0.05 0.00 0.00 55.36 54.32 2k7j s GLN 96 Cb -0.57 -1.49 -0.03 0.00 1.10 0.00 0.00 33.01 32.02 2k7j s GLN 96 CO 0.46 -0.07 -0.07 0.42 -0.55 0.00 0.00 175.29 175.48 2k7j s ILE 97 N -2.82 3.63 -0.13 -2.34 1.01 -1.26 -3.49 121.20 115.80 2k7j s ILE 97 Ca 0.35 -0.71 -0.17 0.00 0.00 0.00 0.00 60.65 60.13 2k7j s ILE 97 Cb 0.09 -2.55 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 2k7j s ILE 97 CO 0.17 0.45 0.42 -0.69 0.00 0.00 0.00 174.94 175.29 2k7j s VAL 98 N -0.94 5.22 -2.00 2.92 1.01 -1.13 -4.95 120.40 120.54 2k7j s VAL 98 Ca 0.16 0.82 0.30 0.00 0.00 0.00 0.00 61.98 63.26 2k7j s VAL 98 Cb -0.11 -3.76 0.85 0.00 0.00 0.00 0.00 36.38 33.37 2k7j s VAL 98 CO 0.06 0.35 2.12 0.29 0.00 0.00 0.00 175.10 177.92