#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 3.39 0.60 4.61 0.00 -1.26 -5.09 121.76 124.01 2k7j s ALA 2 Ca 0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 51.96 51.45 2k7j s ALA 2 Cb 0.00 -2.61 0.03 0.00 0.00 0.00 0.00 23.12 20.54 2k7j s ALA 2 CO 0.00 -0.32 0.88 -1.21 0.00 0.00 0.00 175.76 175.11 2k7j s GLU 3 N -4.66 2.66 0.00 0.00 2.02 -1.26 -5.03 118.70 112.43 2k7j s GLU 3 Ca 0.48 -0.28 0.00 0.00 0.02 0.00 0.00 54.97 55.19 2k7j s GLU 3 Cb -0.10 -2.32 0.00 0.00 0.10 0.00 0.00 34.13 31.81 2k7j s GLU 3 CO 0.44 -0.80 0.00 0.41 0.02 0.00 0.00 175.26 175.32 2k7j n GLY 4 N -2.57 -1.63 2.80 -1.39 0.00 -1.26 -5.06 105.19 96.08 2k7j n GLY 4 Ca 0.06 0.57 -0.33 0.00 0.00 0.00 0.00 46.02 46.32 2k7j n GLY 4 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 2k7j n ASN 5 N 0.00 5.59 -3.93 1.61 0.23 -1.26 -4.44 115.26 113.06 2k7j n ASN 5 Ca 0.00 -3.67 -0.43 0.00 -0.53 0.00 0.00 54.58 49.96 2k7j n ASN 5 Cb 0.00 -0.82 0.01 0.00 -2.08 0.00 0.00 39.78 36.89 2k7j n ASN 5 CO 0.00 0.00 0.00 0.41 -0.93 0.00 0.00 177.26 176.74 2k7j n THR 6 N -0.07 5.28 -1.75 5.53 -1.04 -1.26 -4.99 114.28 115.98 2k7j n THR 6 Ca 0.37 -5.69 -0.42 0.00 -2.04 0.00 0.00 64.05 56.27 2k7j n THR 6 Cb 0.34 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.76 2k7j n THR 6 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2k7j s LEU 7 N -2.55 4.40 0.27 -4.42 1.43 -1.26 -1.37 118.68 115.17 2k7j s LEU 7 Ca 0.34 2.66 0.02 0.00 -1.03 0.00 0.00 54.13 56.11 2k7j s LEU 7 Cb 0.07 -3.55 -0.04 0.00 0.03 0.00 0.00 46.19 42.70 2k7j s LEU 7 CO 0.07 -1.00 0.17 0.27 0.23 0.00 0.00 176.35 176.08 2k7j s ILE 8 N 3.38 0.16 -0.36 -0.59 -4.36 0.60 -1.37 121.20 118.66 2k7j s ILE 8 Ca 0.82 -2.00 -0.00 0.00 -0.26 0.00 0.00 60.65 59.21 2k7j s ILE 8 Cb -0.43 -2.52 0.12 0.00 1.25 0.00 0.00 42.46 40.88 2k7j s ILE 8 CO 0.37 0.00 0.18 -0.94 0.24 0.00 0.00 174.94 174.79 2k7j s SER 9 N -3.29 3.56 -0.10 4.36 1.04 0.54 -0.79 113.70 119.01 2k7j s SER 9 Ca 0.38 -2.05 0.00 0.00 0.48 0.00 0.00 55.95 54.76 2k7j s SER 9 Cb 0.05 -0.72 -0.02 0.00 0.10 0.00 0.00 66.02 65.43 2k7j s SER 9 CO 0.17 -0.34 -0.10 0.54 0.98 0.00 0.00 173.24 174.49 2k7j s VAL 10 N 1.14 3.38 0.22 5.02 0.11 -1.20 -2.98 120.40 126.10 2k7j s VAL 10 Ca 0.14 -0.57 0.09 0.00 -2.93 0.00 0.00 61.98 58.72 2k7j s VAL 10 Cb -0.21 -2.41 -0.05 0.00 -1.53 0.00 0.00 36.38 32.18 2k7j s VAL 10 CO -0.11 0.55 -0.16 1.51 -3.33 0.00 0.00 175.10 173.55 2k7j s ASP 11 N -0.14 2.85 0.06 3.54 1.47 -1.26 -0.26 116.67 122.93 2k7j s ASP 11 Ca 0.00 -1.02 -0.28 0.00 1.18 0.00 0.00 52.55 52.44 2k7j s ASP 11 Cb -0.13 -0.18 0.10 0.00 -0.34 0.00 0.00 42.92 42.36 2k7j s ASP 11 CO 0.03 -0.11 1.16 -0.72 0.68 0.00 0.00 175.17 176.21 2k7j s TYR 12 N -2.81 -0.06 -0.53 2.11 -0.85 -0.87 -3.38 117.35 110.96 2k7j s TYR 12 Ca 0.24 -0.13 0.04 0.00 -0.52 0.00 0.00 57.07 56.70 2k7j s TYR 12 Cb -0.02 0.59 0.14 0.00 0.38 0.00 0.00 41.96 43.04 2k7j s TYR 12 CO 0.09 -0.51 0.28 -1.83 -1.52 0.00 0.00 175.55 172.06 2k7j s GLU 13 N -2.70 1.93 0.43 -3.49 -1.05 -1.26 -2.04 118.70 110.51 2k7j s GLU 13 Ca 0.15 -2.62 -0.24 0.00 -0.15 0.00 0.00 54.97 52.11 2k7j s GLU 13 Cb 0.02 -3.18 -0.11 0.00 -0.44 0.00 0.00 34.13 30.43 2k7j s GLU 13 CO -0.01 -1.14 0.91 -0.89 0.95 0.00 0.00 175.26 175.08 2k7j n ILE 14 N 3.03 2.38 -2.36 1.83 2.08 -1.18 -4.68 119.36 120.45 2k7j n ILE 14 Ca 0.07 -0.50 0.00 0.00 0.56 0.00 0.00 62.75 62.88 2k7j n ILE 14 Cb 0.33 -1.02 0.00 0.00 -0.75 0.00 0.00 39.64 38.20 2k7j n ILE 14 CO 0.00 0.00 0.00 0.49 0.56 0.00 0.00 176.55 177.60 2k7j n PHE 15 N -0.62 -3.31 0.00 1.39 3.72 -1.16 -2.57 117.46 114.90 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 1.32 2.69 1.37 0.00 -1.26 -4.53 105.19 109.77 2k7j n GLY 16 Ca 0.00 -2.13 -0.38 0.00 0.00 0.00 0.00 46.02 43.51 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 2.65 -1.00 1.61 2.85 -1.16 -4.58 118.16 118.76 2k7j n LYS 17 Ca 0.00 -2.16 -0.11 0.00 -1.05 0.00 0.00 58.31 54.99 2k7j n LYS 17 Cb 0.00 -2.96 0.24 0.00 -0.65 0.00 0.00 35.03 31.66 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 4.77 2.81 -3.23 0.58 0.24 -1.26 -3.90 118.33 118.34 2k7j n VAL 18 Ca 0.57 -1.55 -0.37 0.00 -2.04 0.00 0.00 64.34 60.95 2k7j n VAL 18 Cb 0.31 -0.44 -0.06 0.00 -1.47 0.00 0.00 33.84 32.18 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 -2.83 4.18 -2.10 7.34 -0.21 -1.26 -3.88 119.66 120.90 2k7j s GLN 19 Ca 0.51 0.73 0.00 0.00 0.02 0.00 0.00 55.36 56.62 2k7j s GLN 19 Cb 0.41 -3.06 0.00 0.00 1.00 0.00 0.00 33.01 31.36 2k7j s GLN 19 CO 0.12 0.53 0.00 0.41 -2.12 0.00 0.00 175.29 174.22 2k7j n GLY 20 N 1.19 1.87 2.81 3.09 0.00 -1.26 -4.90 105.19 107.99 2k7j n GLY 20 Ca -0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.65 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 -2.31 2.48 -1.26 1.61 0.31 -1.25 -4.97 118.33 112.94 2k7j n VAL 21 Ca -0.20 -5.12 -0.36 0.00 -0.01 0.00 0.00 64.34 58.65 2k7j n VAL 21 Cb 0.65 -2.20 -0.02 0.00 -0.91 0.00 0.00 33.84 31.36 2k7j n VAL 21 CO 0.00 0.00 0.00 0.49 -1.32 0.00 0.00 176.83 176.00 2k7j n PHE 22 N 1.64 2.37 -3.65 3.52 3.72 -1.26 -4.76 117.46 119.03 2k7j n PHE 22 Ca 0.24 -2.71 -0.36 0.00 -0.05 0.00 0.00 57.45 54.58 2k7j n PHE 22 Cb 0.37 -2.26 -0.07 0.00 -0.94 0.00 0.00 39.48 36.59 2k7j n PHE 22 CO 0.00 0.00 0.00 -0.06 -0.05 0.00 0.00 176.76 176.65 2k7j s PHE 23 N 2.91 3.89 -0.48 1.38 0.40 -1.26 -4.91 117.98 119.92 2k7j s PHE 23 Ca 0.57 -3.06 -0.02 0.00 -0.60 0.00 0.00 56.93 53.82 2k7j s PHE 23 Cb 0.15 -3.21 0.23 0.00 0.51 0.00 0.00 43.02 40.70 2k7j s PHE 23 CO -0.04 -0.72 2.24 0.54 0.70 0.00 0.00 175.22 177.93 2k7j n ARG 24 N 2.28 2.24 -0.09 0.44 1.74 -1.26 -4.17 116.66 117.85 2k7j n ARG 24 Ca 0.22 -2.31 0.07 0.00 -0.77 0.00 0.00 57.85 55.06 2k7j n ARG 24 Cb 0.37 -1.96 0.12 0.00 -1.02 0.00 0.00 32.46 29.97 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 0.16 1.84 -0.04 5.56 4.81 -1.26 -4.51 118.16 124.73 2k7j n LYS 25 Ca 0.44 -2.34 -0.05 0.00 -0.87 0.00 0.00 58.31 55.49 2k7j n LYS 25 Cb 0.56 -1.41 -0.04 0.00 0.02 0.00 0.00 35.03 34.16 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 -1.10 0.00 0.07 5.64 8.25 -1.26 -4.42 115.22 122.39 2k7j n HIS 26 Ca 0.13 0.00 -0.10 0.00 -0.26 0.00 0.00 57.72 57.48 2k7j n HIS 26 Cb 0.56 -0.30 0.00 0.00 1.12 0.00 0.00 29.99 31.38 2k7j n HIS 26 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2k7j h THR 27 N 0.00 1.41 0.00 1.59 1.03 -1.87 0.24 112.91 115.32 2k7j h THR 27 Ca -0.17 -2.33 0.00 0.00 -0.01 0.00 0.00 66.41 63.90 2k7j h THR 27 Cb 1.28 2.27 0.00 0.00 -1.07 0.00 0.00 68.15 70.64 2k7j h THR 27 CO -0.02 0.69 0.00 0.00 -0.01 0.00 0.00 175.52 176.18 2k7j n GLN 28 N -3.77 0.27 -0.07 0.00 10.64 -1.26 -3.00 117.38 120.18 2k7j n GLN 28 Ca -0.05 0.03 -0.13 0.00 -1.83 0.00 0.00 57.00 55.03 2k7j n GLN 28 Cb 0.76 -1.50 -0.05 0.00 -0.86 0.00 0.00 30.24 28.59 2k7j n GLN 28 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.06 175.23 2k7j n ALA 29 N -1.35 1.97 -0.10 2.61 0.00 -1.13 -4.50 120.51 118.00 2k7j n ALA 29 Ca 0.11 -0.55 -0.06 0.00 0.00 0.00 0.00 53.44 52.94 2k7j n ALA 29 Cb 0.25 0.28 0.01 0.00 0.00 0.00 0.00 19.45 19.99 2k7j n ALA 29 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2k7j h GLU 30 N -0.31 0.20 0.00 0.00 5.08 -0.61 -0.20 114.58 118.73 2k7j h GLU 30 Ca -0.33 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.02 2k7j h GLU 30 Cb 1.36 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.56 2k7j h GLU 30 CO -0.15 0.13 0.03 0.78 -1.00 0.00 0.00 179.01 178.81 2k7j h GLY 31 N 0.21 0.00 2.00 -3.84 0.00 -1.76 -0.19 103.07 99.49 2k7j h GLY 31 Ca 0.16 0.00 -0.18 0.00 0.00 0.00 0.00 47.33 47.32 2k7j h GLY 31 CO -0.20 0.00 -0.84 0.50 0.00 0.00 0.00 176.54 176.00 2k7j h LYS 32 N 0.00 0.00 -0.54 4.80 1.57 -1.26 0.35 116.57 121.49 2k7j h LYS 32 Ca 0.00 0.00 0.16 0.00 -1.87 0.00 0.00 60.65 58.94 2k7j h LYS 32 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 2k7j h LYS 32 CO 0.00 0.84 0.44 -0.22 -0.57 0.00 0.00 179.45 179.94 2k7j h LYS 33 N 0.00 0.00 0.00 3.15 3.11 -0.85 -2.99 116.57 118.99 2k7j h LYS 33 Ca -0.01 0.00 -0.01 0.00 -2.81 0.00 0.00 60.65 57.82 2k7j h LYS 33 Cb 1.62 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 32.85 2k7j h LYS 33 CO 0.11 0.00 -1.04 1.28 -2.81 0.00 0.00 179.45 176.99 2k7j n LEU 34 N -4.09 0.48 0.00 5.20 4.77 -1.22 -5.09 117.00 117.04 2k7j n LEU 34 Ca 0.10 -0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.08 2k7j n LEU 34 Cb 0.66 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.76 2k7j n LEU 34 CO 0.33 0.09 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 2k7j n GLY 35 N 3.04 0.76 3.07 -0.72 0.00 0.85 -5.09 105.19 107.10 2k7j n GLY 35 Ca -0.01 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.28 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 2.43 0.00 0.99 1.43 0.85 -4.84 118.68 119.53 2k7j s LEU 36 Ca 0.00 -0.87 0.02 0.00 -1.03 0.00 0.00 54.13 52.25 2k7j s LEU 36 Cb 0.00 0.14 0.02 0.00 0.03 0.00 0.00 46.19 46.38 2k7j s LEU 36 CO 0.00 -0.51 0.16 1.33 0.23 0.00 0.00 176.35 177.57 2k7j n VAL 37 N 0.48 0.00 0.00 -1.59 0.24 -0.81 -4.20 118.33 112.45 2k7j n VAL 37 Ca -0.16 -0.72 0.00 0.00 -2.04 0.00 0.00 64.34 61.42 2k7j n VAL 37 Cb 0.59 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.52 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 2.74 0.90 3.55 7.63 0.00 -1.26 -2.73 105.19 116.03 2k7j n GLY 38 Ca 0.01 -1.94 -0.12 0.00 0.00 0.00 0.00 46.02 43.96 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 -2.52 0.71 -0.06 1.61 -2.14 -1.26 -2.34 118.94 112.94 2k7j s TRP 39 Ca 0.00 -1.04 -0.21 0.00 2.66 0.00 0.00 56.10 57.50 2k7j s TRP 39 Cb 0.00 0.11 0.05 0.00 -3.10 0.00 0.00 33.47 30.53 2k7j s TRP 39 CO 0.00 -1.13 0.48 0.54 -2.66 0.00 0.00 176.95 174.19 2k7j s VAL 40 N -3.32 0.03 -0.30 -0.66 0.11 -1.26 -3.39 120.40 111.61 2k7j s VAL 40 Ca 0.26 -0.21 -0.05 0.00 -2.93 0.00 0.00 61.98 59.05 2k7j s VAL 40 Cb -0.01 -0.77 0.19 0.00 -1.53 0.00 0.00 36.38 34.25 2k7j s VAL 40 CO 0.15 -0.11 0.76 -1.58 -3.33 0.00 0.00 175.10 170.99 2k7j s GLN 41 N -0.95 0.43 -0.27 1.54 0.74 -1.16 -2.15 119.66 117.84 2k7j s GLN 41 Ca -0.10 0.77 -0.28 0.00 0.05 0.00 0.00 55.36 55.80 2k7j s GLN 41 Cb -0.03 0.42 -0.04 0.00 1.10 0.00 0.00 33.01 34.46 2k7j s GLN 41 CO 0.06 -0.47 2.13 1.21 -0.55 0.00 0.00 175.29 177.67 2k7j s ASN 42 N 2.89 5.48 1.10 6.67 3.84 -1.26 -3.60 114.94 130.06 2k7j s ASN 42 Ca 0.13 1.69 -0.14 0.00 0.21 0.00 0.00 52.86 54.75 2k7j s ASN 42 Cb -0.13 -2.51 0.19 0.00 -0.55 0.00 0.00 41.25 38.25 2k7j s ASN 42 CO -0.17 -1.97 0.87 0.35 -2.79 0.00 0.00 177.10 173.39 2k7j n THR 43 N 7.70 0.00 -0.05 -5.21 -2.24 -1.08 -5.01 114.28 108.38 2k7j n THR 43 Ca 0.29 -0.52 -0.02 0.00 -2.27 0.00 0.00 64.05 61.53 2k7j n THR 43 Cb 0.46 -1.39 -0.13 0.00 -2.10 0.00 0.00 70.33 67.17 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 -4.01 0.90 0.17 3.42 8.00 -1.26 -4.37 116.55 119.40 2k7j n ASP 44 Ca 0.11 0.00 0.18 0.00 0.71 0.00 0.00 54.79 55.79 2k7j n ASP 44 Cb 0.42 1.26 0.80 0.00 -0.02 0.00 0.00 41.12 43.58 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 0.00 0.00 -1.24 3.08 -2.00 -3.44 114.38 110.77 2k7j h ARG 45 Ca -0.28 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.77 2k7j h ARG 45 Cb 1.57 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.62 2k7j h ARG 45 CO 0.02 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.33 2k7j n GLY 46 N -1.43 1.81 3.21 0.04 0.00 -1.26 -5.10 105.19 102.45 2k7j n GLY 46 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.69 -0.48 2.61 -4.23 -1.26 -4.32 115.64 106.65 2k7j s THR 47 Ca 0.00 -1.96 -0.10 0.00 -1.18 0.00 0.00 61.69 58.45 2k7j s THR 47 Cb 0.00 -1.90 0.12 0.00 1.34 0.00 0.00 72.50 72.06 2k7j s THR 47 CO 0.00 -0.67 0.37 -0.69 -0.54 0.00 0.00 174.62 173.09 2k7j s VAL 48 N -3.64 4.37 -0.52 2.29 1.01 -1.06 -2.64 120.40 120.21 2k7j s VAL 48 Ca 0.18 -1.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.15 2k7j s VAL 48 Cb 0.06 -3.86 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 2k7j s VAL 48 CO -0.00 -0.79 1.65 -1.10 0.00 0.00 0.00 175.10 174.86 2k7j s GLN 49 N 1.40 3.10 0.04 2.72 -1.52 -1.24 -3.12 119.66 121.04 2k7j s GLN 49 Ca 0.05 0.74 0.01 0.00 -1.95 0.00 0.00 55.36 54.21 2k7j s GLN 49 Cb -0.27 -4.22 -0.02 0.00 -0.22 0.00 0.00 33.01 28.27 2k7j s GLN 49 CO -0.00 -2.17 -0.05 0.20 -0.25 0.00 0.00 175.29 173.02 2k7j s GLY 50 N 5.99 0.39 0.09 3.09 0.00 -0.87 -3.01 107.32 113.00 2k7j s GLY 50 Ca 0.64 -0.76 0.09 0.00 0.00 0.00 0.00 44.72 44.69 2k7j s GLY 50 CO 0.26 -0.83 -0.24 1.25 0.00 0.00 0.00 173.10 173.54 2k7j s LYS 51 N -1.89 1.38 -0.47 2.90 2.20 -1.22 -2.04 119.74 120.60 2k7j s LYS 51 Ca -0.10 -1.16 0.04 0.00 -0.36 0.00 0.00 55.97 54.39 2k7j s LYS 51 Cb -0.07 -1.66 0.12 0.00 -1.51 0.00 0.00 37.83 34.71 2k7j s LYS 51 CO -0.02 0.40 0.20 -0.51 -0.36 0.00 0.00 175.35 175.07 2k7j s LEU 52 N -1.67 4.48 -0.21 5.43 1.43 0.64 -4.24 118.68 124.53 2k7j s LEU 52 Ca 0.10 -2.75 -0.15 0.00 -1.03 0.00 0.00 54.13 50.29 2k7j s LEU 52 Cb -0.10 -1.64 -0.04 0.00 0.03 0.00 0.00 46.19 44.44 2k7j s LEU 52 CO 0.04 -0.28 0.37 -1.10 0.23 0.00 0.00 176.35 175.61 2k7j s GLN 53 N 0.08 4.14 0.00 1.70 -0.21 -1.10 -3.22 119.66 121.04 2k7j s GLN 53 Ca 0.15 0.13 0.00 0.00 0.02 0.00 0.00 55.36 55.66 2k7j s GLN 53 Cb -0.24 -3.55 0.00 0.00 1.00 0.00 0.00 33.01 30.22 2k7j s GLN 53 CO -0.02 -0.06 0.00 0.41 -2.12 0.00 0.00 175.29 173.49 2k7j n GLY 54 N 4.06 -2.12 3.72 3.09 0.00 0.03 -1.93 105.19 112.04 2k7j n GLY 54 Ca -0.09 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.21 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 4.34 0.51 1.61 0.04 -1.26 -0.29 135.00 137.98 2k7j s PRO 55 Ca 0.00 2.04 0.16 0.00 0.04 0.00 0.00 61.00 63.24 2k7j s PRO 55 Cb 0.00 -3.25 1.25 0.00 0.04 0.00 0.00 34.50 32.54 2k7j s PRO 55 CO 0.00 -0.39 2.13 0.82 0.04 0.00 0.00 177.00 179.61 2k7j h ILE 56 N 4.20 0.99 -0.50 0.56 2.04 -1.53 0.11 117.51 123.37 2k7j h ILE 56 Ca -0.42 -0.01 0.15 0.00 1.00 0.00 0.00 64.86 65.57 2k7j h ILE 56 Cb 1.21 0.95 -0.02 0.00 -0.74 0.00 0.00 36.82 38.22 2k7j h ILE 56 CO 0.84 0.01 0.42 -1.28 0.00 0.00 0.00 178.15 178.14 2k7j h SER 57 N 0.04 0.00 0.00 1.72 0.87 -1.84 -1.01 113.55 113.33 2k7j h SER 57 Ca 0.03 0.00 -0.23 0.00 -1.23 0.00 0.00 61.79 60.36 2k7j h SER 57 Cb 0.06 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2k7j h SER 57 CO -0.00 0.00 -1.83 0.29 -0.53 0.00 0.00 176.83 174.76 2k7j n LYS 58 N -4.09 0.35 -0.09 2.24 4.01 -0.54 -4.54 118.16 115.49 2k7j n LYS 58 Ca 0.09 0.10 0.25 0.00 -0.51 0.00 0.00 58.31 58.24 2k7j n LYS 58 Cb 0.63 -1.22 0.72 0.00 -0.51 0.00 0.00 35.03 34.65 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 -0.15 0.58 -0.84 -0.18 2.07 -0.67 0.72 116.25 117.78 2k7j h VAL 59 Ca -0.34 0.00 0.22 0.00 0.82 0.00 0.00 66.70 67.40 2k7j h VAL 59 Cb 1.45 0.61 -0.04 0.00 -1.52 0.00 0.00 31.29 31.79 2k7j h VAL 59 CO -0.10 0.00 0.58 0.03 0.02 0.00 0.00 177.57 178.10 2k7j h ARG 60 N 0.00 0.15 0.05 1.57 2.47 -1.42 0.71 114.38 117.91 2k7j h ARG 60 Ca 0.35 -0.01 -0.30 0.00 -1.26 0.00 0.00 59.98 58.76 2k7j h ARG 60 Cb 1.44 -0.03 -0.03 0.00 -1.65 0.00 0.00 29.97 29.70 2k7j h ARG 60 CO -0.00 0.10 -1.61 0.93 0.56 0.00 0.00 179.97 179.94 2k7j h GLU 61 N 0.15 0.11 0.00 0.04 4.39 -1.13 -3.32 114.58 114.82 2k7j h GLU 61 Ca 0.41 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 2k7j h GLU 61 Cb 1.40 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 30.12 2k7j h GLU 61 CO -0.07 0.85 -0.07 1.98 -1.16 0.00 0.00 179.01 180.54 2k7j h MET 62 N 0.03 0.00 -0.09 2.33 4.05 -0.83 -2.66 114.93 117.76 2k7j h MET 62 Ca -0.26 0.00 -0.02 0.00 -0.28 0.00 0.00 59.70 59.14 2k7j h MET 62 Cb 1.99 0.00 -0.00 0.00 -0.80 0.00 0.00 31.60 32.78 2k7j h MET 62 CO 0.11 0.07 -0.01 1.96 0.23 0.00 0.00 176.91 179.26 2k7j h GLN 63 N 0.00 0.18 0.00 0.39 4.20 -1.39 -2.61 115.11 115.88 2k7j h GLN 63 Ca -0.00 -0.06 0.00 0.00 0.06 0.00 0.00 58.65 58.65 2k7j h GLN 63 Cb 0.21 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.98 2k7j h GLN 63 CO 0.01 0.47 0.00 1.63 -0.67 0.00 0.00 178.83 180.27 2k7j n LYS 64 N -4.79 0.11 0.08 1.46 5.02 -1.02 -1.84 118.16 117.19 2k7j n LYS 64 Ca -0.06 0.41 0.01 0.00 -2.02 0.00 0.00 58.31 56.65 2k7j n LYS 64 Cb 0.22 -1.74 -0.03 0.00 -0.02 0.00 0.00 35.03 33.46 2k7j n LYS 64 CO 0.00 0.00 0.00 -1.49 -0.52 0.00 0.00 177.40 175.39 2k7j h TRP 65 N 0.00 0.00 -0.26 2.13 4.06 -1.31 -3.24 115.95 117.32 2k7j h TRP 65 Ca 0.00 0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 2k7j h TRP 65 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 29.16 28.41 2k7j h TRP 65 CO 0.00 0.55 0.00 1.28 -3.56 0.00 0.00 178.44 176.71 2k7j n LEU 66 N -3.05 3.50 -0.05 -4.49 4.77 -0.77 -0.11 117.00 116.80 2k7j n LEU 66 Ca -0.04 -2.72 -0.11 0.00 -0.03 0.00 0.00 56.01 53.12 2k7j n LEU 66 Cb 0.79 -0.44 -0.04 0.00 -2.33 0.00 0.00 43.42 41.40 2k7j n LEU 66 CO 0.42 0.69 -0.77 1.21 -1.33 0.00 0.00 177.39 177.61 2k7j n GLU 67 N -0.28 0.25 -0.04 3.23 2.13 -0.80 -4.79 120.64 120.34 2k7j n GLU 67 Ca 0.18 0.11 -0.06 0.00 0.66 0.00 0.00 57.16 58.04 2k7j n GLU 67 Cb 0.74 -0.92 -0.04 0.00 0.27 0.00 0.00 31.44 31.48 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 -3.63 0.47 0.00 6.31 5.66 -1.23 -4.64 114.28 117.22 2k7j n THR 68 Ca -0.20 -0.17 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2k7j n THR 68 Cb 0.56 -0.90 0.00 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 -2.83 0.00 0.00 1.09 5.12 -1.23 -4.82 116.66 114.00 2k7j n ARG 69 Ca -0.15 0.32 0.00 0.00 -1.93 0.00 0.00 57.85 56.09 2k7j n ARG 69 Cb 0.65 -1.26 0.00 0.00 -1.16 0.00 0.00 32.46 30.69 2k7j n ARG 69 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7j n GLY 70 N -0.50 0.83 3.95 -0.13 0.00 0.85 -4.81 105.19 105.38 2k7j n GLY 70 Ca 0.00 -0.84 -0.21 0.00 0.00 0.00 0.00 46.02 44.97 2k7j n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7j s SER 71 N -4.00 6.14 0.15 1.61 0.01 -1.26 -5.00 113.70 111.35 2k7j s SER 71 Ca 0.00 -0.02 -0.10 0.00 1.31 0.00 0.00 55.95 57.14 2k7j s SER 71 Cb 0.00 -1.71 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2k7j s SER 71 CO 0.00 -0.11 1.48 1.55 0.41 0.00 0.00 173.24 176.58 2k7j h PRO 72 N 1.20 0.93 0.19 12.44 0.13 -2.02 -3.33 132.00 141.53 2k7j h PRO 72 Ca -0.51 -0.49 -0.01 0.00 -0.87 0.00 0.00 66.00 64.13 2k7j h PRO 72 Cb 1.23 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2k7j h PRO 72 CO 0.60 1.14 -0.20 0.93 -0.23 0.00 0.00 178.00 180.25 2k7j h GLU 73 N 0.76 -0.37 0.00 0.86 4.39 -2.00 -3.44 114.58 114.77 2k7j h GLU 73 Ca 0.06 0.03 -0.18 0.00 0.34 0.00 0.00 59.36 59.61 2k7j h GLU 73 Cb 0.98 0.08 0.04 0.00 -0.10 0.00 0.00 28.75 29.75 2k7j h GLU 73 CO 0.10 -0.25 0.06 -1.13 -1.16 0.00 0.00 179.01 176.62 2k7j n SER 74 N -3.51 0.48 -4.21 1.42 3.41 -1.25 -5.09 113.62 104.88 2k7j n SER 74 Ca -0.05 -1.42 -0.12 0.00 -0.26 0.00 0.00 58.87 57.02 2k7j n SER 74 Cb 0.18 -0.27 -0.10 0.00 -0.26 0.00 0.00 64.21 63.76 2k7j n SER 74 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2k7j s HIS 75 N -1.17 1.13 -0.44 7.33 3.76 -1.25 -4.55 115.29 120.09 2k7j s HIS 75 Ca 0.26 -1.26 0.03 0.00 -0.15 0.00 0.00 55.06 53.94 2k7j s HIS 75 Cb -0.01 -0.60 0.15 0.00 1.11 0.00 0.00 32.58 33.23 2k7j s HIS 75 CO 0.18 -0.50 0.30 0.42 -0.85 0.00 0.00 174.74 174.29 2k7j s ILE 76 N -4.00 0.88 0.47 0.60 1.01 -1.26 -2.96 121.20 115.93 2k7j s ILE 76 Ca 0.32 -2.61 0.27 0.00 0.00 0.00 0.00 60.65 58.63 2k7j s ILE 76 Cb 0.07 -1.61 0.30 0.00 0.01 0.00 0.00 42.46 41.23 2k7j s ILE 76 CO 0.08 -1.06 2.12 -0.78 0.00 0.00 0.00 174.94 175.30 2k7j h ASP 77 N 6.21 0.00 -4.51 3.58 1.82 -1.88 -3.45 116.42 118.19 2k7j h ASP 77 Ca 0.13 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.81 2k7j h ASP 77 Cb 0.91 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.72 2k7j h ASP 77 CO 0.42 0.09 0.41 -1.59 -1.61 0.00 0.00 179.24 176.96 2k7j s LYS 78 N -4.38 0.81 0.21 0.28 -2.85 -1.26 -5.05 119.74 107.49 2k7j s LYS 78 Ca -0.04 0.08 -0.12 0.00 -1.00 0.00 0.00 55.97 54.89 2k7j s LYS 78 Cb 0.14 0.38 -0.00 0.00 -2.06 0.00 0.00 37.83 36.29 2k7j s LYS 78 CO 0.59 -0.28 0.41 0.00 0.10 0.00 0.00 175.35 176.17 2k7j s ALA 79 N -1.59 -0.25 -0.25 0.59 0.00 -1.26 -3.01 121.76 115.99 2k7j s ALA 79 Ca -0.03 -0.77 -0.29 0.00 0.00 0.00 0.00 51.96 50.87 2k7j s ALA 79 Cb -0.00 0.96 0.17 0.00 0.00 0.00 0.00 23.12 24.25 2k7j s ALA 79 CO 0.02 -0.76 1.24 1.21 0.00 0.00 0.00 175.76 177.46 2k7j s ASN 80 N -2.98 -0.17 0.81 0.00 3.84 -1.26 -5.02 114.94 110.17 2k7j s ASN 80 Ca 0.18 0.21 -0.10 0.00 0.21 0.00 0.00 52.86 53.37 2k7j s ASN 80 Cb 0.01 0.18 0.12 0.00 -0.55 0.00 0.00 41.25 41.01 2k7j s ASN 80 CO 0.04 -0.13 1.15 0.72 -2.79 0.00 0.00 177.10 176.08 2k7j s PHE 81 N -0.82 2.22 0.00 0.43 -0.12 -1.26 -4.58 117.98 113.86 2k7j s PHE 81 Ca 0.05 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.25 2k7j s PHE 81 Cb -0.02 -3.54 0.00 0.00 -0.63 0.00 0.00 43.02 38.84 2k7j s PHE 81 CO -0.06 -1.96 0.00 1.63 -0.05 0.00 0.00 175.22 174.78 2k7j n LYS 82 N -3.27 0.00 -3.65 1.99 5.02 -1.22 -5.02 118.16 112.01 2k7j n LYS 82 Ca 0.12 0.00 -0.02 0.00 -2.02 0.00 0.00 58.31 56.39 2k7j n LYS 82 Cb 0.60 -0.10 -0.05 0.00 -0.02 0.00 0.00 35.03 35.46 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 -2.47 -1.08 0.42 4.39 2.47 -1.26 -5.08 114.94 112.33 2k7j s ASN 83 Ca 0.00 1.54 -0.04 0.00 0.42 0.00 0.00 52.86 54.78 2k7j s ASN 83 Cb 0.00 2.17 -0.04 0.00 -1.45 0.00 0.00 41.25 41.93 2k7j s ASN 83 CO 0.00 -0.22 0.69 -1.83 -3.72 0.00 0.00 177.10 172.02 2k7j s GLU 84 N 2.76 3.56 -0.02 0.43 1.03 -1.26 -4.17 118.70 121.03 2k7j s GLU 84 Ca -0.06 0.06 0.01 0.00 0.03 0.00 0.00 54.97 55.01 2k7j s GLU 84 Cb -0.11 -2.49 0.02 0.00 -0.80 0.00 0.00 34.13 30.75 2k7j s GLU 84 CO -0.19 -0.05 -0.01 0.21 -1.33 0.00 0.00 175.26 173.89 2k7j s LYS 85 N -4.40 0.30 -0.25 -4.83 2.47 -1.16 -4.94 119.74 106.93 2k7j s LYS 85 Ca 0.45 -0.00 -0.25 0.00 -1.56 0.00 0.00 55.97 54.61 2k7j s LYS 85 Cb -0.10 -0.40 -0.00 0.00 -1.46 0.00 0.00 37.83 35.87 2k7j s LYS 85 CO 0.39 -0.05 0.85 0.08 0.16 0.00 0.00 175.35 176.78 2k7j s VAL 86 N 0.58 4.81 -0.04 4.02 1.01 -1.26 -0.34 120.40 129.19 2k7j s VAL 86 Ca -0.06 1.58 0.01 0.00 0.00 0.00 0.00 61.98 63.52 2k7j s VAL 86 Cb -0.09 -4.14 0.02 0.00 0.00 0.00 0.00 36.38 32.17 2k7j s VAL 86 CO -0.01 -0.10 -0.05 0.27 0.00 0.00 0.00 175.10 175.21 2k7j s ILE 87 N 2.90 0.56 0.43 2.22 -4.36 -0.47 -4.99 121.20 117.49 2k7j s ILE 87 Ca 0.36 -0.17 0.19 0.00 -0.26 0.00 0.00 60.65 60.77 2k7j s ILE 87 Cb -0.15 -0.56 0.39 0.00 1.25 0.00 0.00 42.46 43.39 2k7j s ILE 87 CO 0.08 0.22 1.86 -0.07 0.24 0.00 0.00 174.94 177.26 2k7j h LEU 88 N 6.94 0.35 -8.39 0.37 4.07 -1.97 -3.39 115.31 113.30 2k7j h LEU 88 Ca -0.37 0.04 -0.19 0.00 0.08 0.00 0.00 57.88 57.44 2k7j h LEU 88 Cb 1.16 -0.03 -0.15 0.00 1.08 0.00 0.00 40.66 42.72 2k7j h LEU 88 CO 0.48 0.14 -0.68 -0.54 -1.08 0.00 0.00 178.44 176.76 2k7j s LYS 89 N -5.37 0.79 0.18 1.13 1.02 -1.26 -4.85 119.74 111.38 2k7j s LYS 89 Ca -0.08 -1.33 -0.29 0.00 0.02 0.00 0.00 55.97 54.29 2k7j s LYS 89 Cb 0.23 -0.00 -0.08 0.00 -0.52 0.00 0.00 37.83 37.45 2k7j s LYS 89 CO 0.78 -0.09 0.91 -0.51 -0.92 0.00 0.00 175.35 175.52 2k7j s LEU 90 N -3.01 4.59 0.59 3.17 2.01 -1.26 -4.93 118.68 119.83 2k7j s LEU 90 Ca 0.13 1.83 0.29 0.00 0.01 0.00 0.00 54.13 56.39 2k7j s LEU 90 Cb 0.07 -3.53 1.76 0.00 0.01 0.00 0.00 46.19 44.50 2k7j s LEU 90 CO -0.05 0.10 2.20 0.44 1.01 0.00 0.00 176.35 180.05 2k7j h ASP 91 N 4.67 0.00 -1.39 2.29 3.32 -1.97 -3.42 116.42 119.91 2k7j h ASP 91 Ca -0.45 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.11 2k7j h ASP 91 Cb 1.20 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.73 2k7j h ASP 91 CO 0.69 0.00 -0.35 -0.31 -1.72 0.00 0.00 179.24 177.55 2k7j s TYR 92 N -4.64 2.56 -0.05 4.55 2.02 -1.26 -5.05 117.35 115.49 2k7j s TYR 92 Ca -0.05 -0.52 0.15 0.00 -0.37 0.00 0.00 57.07 56.27 2k7j s TYR 92 Cb 0.15 -2.17 -0.22 0.00 -0.40 0.00 0.00 41.96 39.32 2k7j s TYR 92 CO 0.55 -0.23 0.27 0.43 -1.57 0.00 0.00 175.55 175.00 2k7j n SER 93 N -1.63 1.56 -3.60 2.29 7.64 -1.26 -5.04 113.62 113.58 2k7j n SER 93 Ca 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.84 2k7j n SER 93 Cb 0.62 1.51 -0.05 0.00 -1.01 0.00 0.00 64.21 65.28 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 -3.95 -0.27 0.53 6.43 1.47 -1.26 -5.03 116.67 114.59 2k7j s ASP 94 Ca -0.06 0.30 -0.20 0.00 1.18 0.00 0.00 52.55 53.78 2k7j s ASP 94 Cb 0.08 0.23 -0.08 0.00 -0.34 0.00 0.00 42.92 42.82 2k7j s ASP 94 CO 0.61 -0.25 0.79 2.22 0.68 0.00 0.00 175.17 179.23 2k7j n PHE 95 N 0.70 0.27 -3.79 2.11 1.16 -1.26 -4.50 117.46 112.15 2k7j n PHE 95 Ca -0.07 0.48 -0.09 0.00 -1.87 0.00 0.00 57.45 55.89 2k7j n PHE 95 Cb 0.58 -2.08 -0.04 0.00 -1.61 0.00 0.00 39.48 36.33 2k7j n PHE 95 CO 0.00 0.00 0.00 -1.14 -1.87 0.00 0.00 176.76 173.75 2k7j s GLN 96 N -2.25 1.41 0.08 3.97 0.74 -0.99 -4.90 119.66 117.72 2k7j s GLN 96 Ca 0.69 -0.94 0.07 0.00 0.05 0.00 0.00 55.36 55.24 2k7j s GLN 96 Cb -0.47 0.51 -0.04 0.00 1.10 0.00 0.00 33.01 34.11 2k7j s GLN 96 CO 0.53 -0.60 -0.15 0.42 -0.55 0.00 0.00 175.29 174.94 2k7j s ILE 97 N -3.90 3.00 0.01 -2.34 1.01 -1.26 -3.99 121.20 113.72 2k7j s ILE 97 Ca 0.11 -1.27 0.03 0.00 0.00 0.00 0.00 60.65 59.52 2k7j s ILE 97 Cb -0.01 -2.33 -0.03 0.00 0.01 0.00 0.00 42.46 40.09 2k7j s ILE 97 CO -0.01 0.22 -0.07 -0.69 0.00 0.00 0.00 174.94 174.39 2k7j s VAL 98 N -1.06 3.65 -2.69 2.92 1.01 -0.91 -4.91 120.40 118.40 2k7j s VAL 98 Ca 0.17 -0.78 0.26 0.00 0.00 0.00 0.00 61.98 61.63 2k7j s VAL 98 Cb -0.11 -2.59 0.41 0.00 0.00 0.00 0.00 36.38 34.10 2k7j s VAL 98 CO 0.09 0.39 1.56 0.29 0.00 0.00 0.00 175.10 177.42