#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2k7k s ALA 2 N 0.00 -0.62 0.00 4.61 0.00 -1.26 -5.11 121.76 119.38 2k7k s ALA 2 Ca 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 51.87 2k7k s ALA 2 Cb 0.00 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.48 2k7k s ALA 2 CO 0.00 -0.43 0.00 0.39 0.00 0.00 0.00 175.76 175.72 2k7k n GLU 3 N 0.46 0.00 0.00 0.00 1.02 -1.26 -5.10 120.64 115.76 2k7k n GLU 3 Ca -0.18 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 56.96 2k7k n GLU 3 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2k7k n GLY 4 N 3.69 1.32 3.55 0.62 0.00 -1.26 -4.16 105.19 108.95 2k7k n GLY 4 Ca 0.00 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.19 2k7k n GLY 4 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2k7k s ASN 5 N -4.00 4.41 -0.21 1.61 0.02 -1.26 -4.57 114.94 110.94 2k7k s ASN 5 Ca 0.00 0.68 -0.04 0.00 -1.02 0.00 0.00 52.86 52.48 2k7k s ASN 5 Cb 0.00 -2.52 0.07 0.00 0.02 0.00 0.00 41.25 38.82 2k7k s ASN 5 CO 0.00 -3.07 0.08 -0.89 0.02 0.00 0.00 177.10 173.24 2k7k s THR 6 N 12.44 0.16 -0.40 1.60 2.01 -1.26 -5.00 115.64 125.19 2k7k s THR 6 Ca 0.92 -0.50 -0.30 0.00 0.31 0.00 0.00 61.69 62.12 2k7k s THR 6 Cb -0.15 -0.87 -0.09 0.00 0.01 0.00 0.00 72.50 71.40 2k7k s THR 6 CO 0.20 -0.39 2.31 0.18 -0.69 0.00 0.00 174.62 176.24 2k7k n LEU 7 N 5.18 2.39 -4.58 4.42 7.99 -1.26 -2.71 117.00 128.43 2k7k n LEU 7 Ca -0.07 0.04 -0.24 0.00 -0.01 0.00 0.00 56.01 55.73 2k7k n LEU 7 Cb 0.46 -1.43 -0.08 0.00 -0.11 0.00 0.00 43.42 42.26 2k7k n LEU 7 CO 0.10 -0.98 -0.38 0.27 -1.51 0.00 0.00 177.39 174.89 2k7k s ILE 8 N 9.29 3.15 -0.02 -0.08 -4.36 0.84 -0.29 121.20 129.73 2k7k s ILE 8 Ca 1.06 -1.99 0.02 0.00 -0.26 0.00 0.00 60.65 59.47 2k7k s ILE 8 Cb -0.52 -2.65 -0.00 0.00 1.25 0.00 0.00 42.46 40.54 2k7k s ILE 8 CO 0.38 -0.33 -0.08 -0.94 0.24 0.00 0.00 174.94 174.21 2k7k s SER 9 N -3.47 1.02 -0.01 4.36 1.04 -0.80 -0.99 113.70 114.85 2k7k s SER 9 Ca 0.30 -0.16 -0.28 0.00 0.48 0.00 0.00 55.95 56.29 2k7k s SER 9 Cb -0.06 -0.20 0.06 0.00 0.10 0.00 0.00 66.02 65.92 2k7k s SER 9 CO 0.18 0.07 0.63 0.54 0.98 0.00 0.00 173.24 175.64 2k7k s VAL 10 N 0.04 0.01 0.23 5.02 0.11 -0.73 -1.75 120.40 123.33 2k7k s VAL 10 Ca -0.00 -0.06 0.08 0.00 -2.93 0.00 0.00 61.98 59.06 2k7k s VAL 10 Cb -0.06 -0.97 -0.04 0.00 -1.53 0.00 0.00 36.38 33.78 2k7k s VAL 10 CO -0.00 -0.03 0.08 -0.62 -3.33 0.00 0.00 175.10 171.19 2k7k s ASP 11 N -1.49 5.02 0.05 3.54 -1.08 -1.26 -1.57 116.67 119.87 2k7k s ASP 11 Ca -0.09 -0.41 0.01 0.00 -0.52 0.00 0.00 52.55 51.54 2k7k s ASP 11 Cb -0.01 -1.13 -0.03 0.00 -1.46 0.00 0.00 42.92 40.30 2k7k s ASP 11 CO 0.05 0.01 -0.05 -0.72 0.52 0.00 0.00 175.17 174.98 2k7k s TYR 12 N -2.08 0.58 -0.01 -5.34 -0.85 -0.50 -0.65 117.35 108.49 2k7k s TYR 12 Ca 0.31 -0.71 0.01 0.00 -0.52 0.00 0.00 57.07 56.16 2k7k s TYR 12 Cb -0.08 -0.37 0.01 0.00 0.38 0.00 0.00 41.96 41.90 2k7k s TYR 12 CO 0.22 -0.18 -0.01 -2.00 -1.52 0.00 0.00 175.55 172.05 2k7k s GLU 13 N -2.49 0.18 0.12 -3.49 2.12 -1.20 -2.48 118.70 111.47 2k7k s GLU 13 Ca -0.04 0.00 0.10 0.00 0.36 0.00 0.00 54.97 55.40 2k7k s GLU 13 Cb -0.03 -0.27 -0.04 0.00 0.26 0.00 0.00 34.13 34.05 2k7k s GLU 13 CO -0.03 -0.03 -0.24 0.42 -0.54 0.00 0.00 175.26 174.84 2k7k s ILE 14 N 0.40 2.49 -0.02 -3.70 -1.09 -1.23 -3.01 121.20 115.03 2k7k s ILE 14 Ca -0.04 -1.66 0.02 0.00 -2.23 0.00 0.00 60.65 56.75 2k7k s ILE 14 Cb -0.06 -2.12 0.00 0.00 -1.58 0.00 0.00 42.46 38.70 2k7k s ILE 14 CO -0.01 0.10 -0.08 0.12 -1.23 0.00 0.00 174.94 173.83 2k7k s PHE 15 N -1.09 0.87 0.00 3.97 5.36 -1.18 -3.07 117.98 122.84 2k7k s PHE 15 Ca 0.15 -0.20 0.00 0.00 -0.96 0.00 0.00 56.93 55.92 2k7k s PHE 15 Cb -0.10 -0.62 0.00 0.00 -0.34 0.00 0.00 43.02 41.96 2k7k s PHE 15 CO 0.08 -0.08 0.00 0.41 -1.46 0.00 0.00 175.22 174.16 2k7k n GLY 16 N 3.23 0.45 0.25 13.12 0.00 -1.26 -2.71 105.19 118.26 2k7k n GLY 16 Ca -0.17 -1.20 0.10 0.00 0.00 0.00 0.00 46.02 44.75 2k7k n GLY 16 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2k7k h LYS 17 N 0.00 0.00 -0.29 1.61 1.63 -1.90 -2.20 116.57 115.42 2k7k h LYS 17 Ca 0.00 0.00 0.09 0.00 -0.85 0.00 0.00 60.65 59.89 2k7k h LYS 17 Cb 0.00 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.62 2k7k h LYS 17 CO 0.00 0.13 0.30 -0.39 -3.45 0.00 0.00 179.45 176.04 2k7k h VAL 18 N 0.00 0.47 -0.66 2.00 -1.51 -1.78 -1.43 116.25 113.34 2k7k h VAL 18 Ca -0.00 0.00 0.09 0.00 -1.23 0.00 0.00 66.70 65.56 2k7k h VAL 18 Cb 0.29 0.76 -0.07 0.00 -2.13 0.00 0.00 31.29 30.14 2k7k h VAL 18 CO 0.02 0.00 0.30 1.56 -1.23 0.00 0.00 177.57 178.21 2k7k h GLN 19 N 0.00 0.50 -3.16 5.19 4.20 -1.72 -3.34 115.11 116.78 2k7k h GLN 19 Ca 0.14 -0.03 -0.62 0.00 0.06 0.00 0.00 58.65 58.20 2k7k h GLN 19 Cb 0.75 -0.11 -0.40 0.00 0.30 0.00 0.00 27.48 28.01 2k7k h GLN 19 CO -0.00 0.33 -0.72 0.20 -0.67 0.00 0.00 178.83 177.97 2k7k s GLY 20 N -3.14 1.79 -0.26 3.46 0.00 -0.54 -5.01 107.32 103.61 2k7k s GLY 20 Ca -0.13 -2.65 -0.28 0.00 0.00 0.00 0.00 44.72 41.66 2k7k s GLY 20 CO 0.75 1.42 1.27 0.54 0.00 0.00 0.00 173.10 177.09 2k7k s VAL 21 N 0.35 0.00 -1.32 1.40 0.11 -1.25 -4.99 120.40 114.69 2k7k s VAL 21 Ca 0.17 0.00 -0.13 0.00 -2.93 0.00 0.00 61.98 59.09 2k7k s VAL 21 Cb -0.24 -1.00 0.12 0.00 -1.53 0.00 0.00 36.38 33.73 2k7k s VAL 21 CO -0.02 0.00 1.88 0.49 -3.33 0.00 0.00 175.10 174.13 2k7k n PHE 22 N 1.00 3.73 -0.04 1.54 3.72 -1.26 -4.49 117.46 121.66 2k7k n PHE 22 Ca -0.06 -2.95 0.00 0.00 -0.05 0.00 0.00 57.45 54.39 2k7k n PHE 22 Cb 0.58 -2.27 -0.12 0.00 -0.94 0.00 0.00 39.48 36.73 2k7k n PHE 22 CO 0.00 0.00 0.00 1.97 -0.05 0.00 0.00 176.76 178.68 2k7k n PHE 23 N 5.49 0.00 -0.33 1.38 -1.74 -1.26 -4.50 117.46 116.50 2k7k n PHE 23 Ca 0.44 0.00 0.10 0.00 -0.56 0.00 0.00 57.45 57.43 2k7k n PHE 23 Cb 0.40 -0.53 0.27 0.00 1.52 0.00 0.00 39.48 41.13 2k7k n PHE 23 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2k7k h ARG 24 N 0.00 0.69 -0.37 3.97 3.08 -1.98 0.27 114.38 120.05 2k7k h ARG 24 Ca -0.20 -0.04 0.08 0.00 0.07 0.00 0.00 59.98 59.89 2k7k h ARG 24 Cb 1.30 -0.16 -0.07 0.00 0.08 0.00 0.00 29.97 31.12 2k7k h ARG 24 CO 0.01 0.46 -0.12 -0.22 -1.07 0.00 0.00 179.97 179.03 2k7k h LYS 25 N 0.72 -0.04 0.00 0.04 1.63 -1.95 -0.82 116.57 116.14 2k7k h LYS 25 Ca 0.52 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 60.21 2k7k h LYS 25 Cb 0.74 0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 32.37 2k7k h LYS 25 CO -0.36 -0.03 -0.49 0.45 -3.45 0.00 0.00 179.45 175.56 2k7k h HIS 26 N -0.04 0.00 0.00 1.91 3.86 -1.52 -3.13 115.15 116.22 2k7k h HIS 26 Ca 0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.38 2k7k h HIS 26 Cb 0.32 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.79 2k7k h HIS 26 CO -0.36 0.49 -0.07 1.15 0.86 0.00 0.00 177.93 180.01 2k7k h THR 27 N 0.00 0.54 0.00 2.45 2.02 0.90 -1.50 112.91 117.31 2k7k h THR 27 Ca -0.00 -0.30 -0.19 0.00 0.77 0.00 0.00 66.41 66.69 2k7k h THR 27 Cb 1.22 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 68.79 2k7k h THR 27 CO 0.06 0.06 -0.93 -0.61 0.37 0.00 0.00 175.52 174.47 2k7k h GLN 28 N 0.00 0.00 0.04 6.66 4.15 -1.30 -1.83 115.11 122.83 2k7k h GLN 28 Ca -0.00 0.00 -0.00 0.00 0.77 0.00 0.00 58.65 59.42 2k7k h GLN 28 Cb 0.19 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.88 2k7k h GLN 28 CO 0.01 0.84 -0.02 0.00 -1.93 0.00 0.00 178.83 177.73 2k7k h ALA 29 N 1.12 -0.32 0.00 3.38 0.00 -1.38 -3.19 119.26 118.87 2k7k h ALA 29 Ca -0.03 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.84 2k7k h ALA 29 Cb 1.69 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 2k7k h ALA 29 CO 0.11 -0.31 -0.13 1.49 0.00 0.00 0.00 179.25 180.40 2k7k h GLU 30 N -0.14 0.00 0.00 0.00 4.57 -1.63 -2.06 114.58 115.32 2k7k h GLU 30 Ca -0.01 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2k7k h GLU 30 Cb 0.04 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.63 2k7k h GLU 30 CO 0.01 0.13 0.00 0.78 -1.18 0.00 0.00 179.01 178.75 2k7k h GLY 31 N 0.98 0.00 1.41 1.92 0.00 -1.45 -2.76 103.07 103.17 2k7k h GLY 31 Ca -0.00 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 47.03 2k7k h GLY 31 CO 0.02 0.00 -1.40 1.70 0.00 0.00 0.00 176.54 176.85 2k7k h LYS 32 N 0.00 0.27 -0.84 4.80 3.64 -1.35 0.23 116.57 123.33 2k7k h LYS 32 Ca 0.00 -0.47 0.23 0.00 -1.27 0.00 0.00 60.65 59.14 2k7k h LYS 32 Cb 0.36 0.17 -0.04 0.00 -0.41 0.00 0.00 32.23 32.31 2k7k h LYS 32 CO 0.00 1.17 0.59 -0.22 -2.27 0.00 0.00 179.45 178.73 2k7k h LYS 33 N 0.07 0.09 0.00 1.90 3.64 -1.56 -1.85 116.57 118.87 2k7k h LYS 33 Ca -0.20 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.18 2k7k h LYS 33 Cb 2.01 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 33.80 2k7k h LYS 33 CO 0.19 0.06 -0.10 1.28 -2.27 0.00 0.00 179.45 178.61 2k7k n LEU 34 N -4.34 1.04 -3.23 5.20 7.99 -1.24 -4.93 117.00 117.48 2k7k n LEU 34 Ca 0.17 -1.37 -0.19 0.00 -0.01 0.00 0.00 56.01 54.61 2k7k n LEU 34 Cb 0.84 -0.08 -0.07 0.00 -0.11 0.00 0.00 43.42 44.01 2k7k n LEU 34 CO 0.37 0.33 -0.17 -0.83 -1.51 0.00 0.00 177.39 175.57 2k7k s GLY 35 N -1.03 0.29 0.54 -0.72 0.00 0.82 -4.61 107.32 102.62 2k7k s GLY 35 Ca 0.06 -1.59 0.31 0.00 0.00 0.00 0.00 44.72 43.50 2k7k s GLY 35 CO 0.01 2.64 1.90 1.41 0.00 0.00 0.00 173.10 179.06 2k7k h LEU 36 N 5.87 0.00 -7.65 0.66 -0.00 -1.75 -3.35 115.31 109.09 2k7k h LEU 36 Ca 0.16 0.00 -0.13 0.00 -0.00 0.00 0.00 57.88 57.91 2k7k h LEU 36 Cb 1.00 0.00 -0.20 0.00 -0.00 0.00 0.00 40.66 41.46 2k7k h LEU 36 CO 0.24 0.00 -0.38 0.68 -0.00 0.00 0.00 178.44 178.97 2k7k s VAL 37 N -4.97 0.08 0.00 1.22 -7.23 -1.26 -3.63 120.40 104.60 2k7k s VAL 37 Ca -0.05 -0.64 0.00 0.00 -1.81 0.00 0.00 61.98 59.48 2k7k s VAL 37 Cb 0.21 -0.60 0.00 0.00 0.56 0.00 0.00 36.38 36.55 2k7k s VAL 37 CO 0.76 -0.35 0.00 0.61 -0.31 0.00 0.00 175.10 175.81 2k7k n GLY 38 N 1.22 3.45 3.53 2.32 0.00 -1.26 -3.14 105.19 111.30 2k7k n GLY 38 Ca -0.22 -0.26 -0.33 0.00 0.00 0.00 0.00 46.02 45.22 2k7k n GLY 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 2k7k s TRP 39 N -1.24 2.79 -0.14 1.61 -2.14 -1.25 -1.89 118.94 116.68 2k7k s TRP 39 Ca 0.00 -0.09 -0.02 0.00 2.66 0.00 0.00 56.10 58.65 2k7k s TRP 39 Cb 0.00 -1.62 -0.02 0.00 -3.10 0.00 0.00 33.47 28.72 2k7k s TRP 39 CO 0.00 0.28 -0.09 0.08 -2.66 0.00 0.00 176.95 174.56 2k7k s VAL 40 N -0.84 3.44 0.09 -0.66 1.01 -1.14 -2.43 120.40 119.86 2k7k s VAL 40 Ca 0.13 -0.52 0.02 0.00 0.00 0.00 0.00 61.98 61.61 2k7k s VAL 40 Cb -0.11 -2.47 -0.04 0.00 0.00 0.00 0.00 36.38 33.76 2k7k s VAL 40 CO 0.03 0.51 -0.08 -1.10 0.00 0.00 0.00 175.10 174.47 2k7k s GLN 41 N 0.30 0.77 -0.12 2.72 -0.21 -1.14 -1.32 119.66 120.66 2k7k s GLN 41 Ca -0.07 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.15 2k7k s GLN 41 Cb -0.15 -0.29 0.02 0.00 1.00 0.00 0.00 33.01 33.59 2k7k s GLN 41 CO 0.04 0.02 -0.12 0.54 -2.12 0.00 0.00 175.29 173.65 2k7k s ASN 42 N -2.59 2.36 0.97 5.90 2.20 -1.26 -0.56 114.94 121.96 2k7k s ASN 42 Ca 0.06 -0.39 -0.13 0.00 -0.94 0.00 0.00 52.86 51.46 2k7k s ASN 42 Cb 0.00 -1.01 0.08 0.00 -2.00 0.00 0.00 41.25 38.32 2k7k s ASN 42 CO -0.03 -0.05 0.56 0.35 -2.94 0.00 0.00 177.10 175.00 2k7k n THR 43 N 4.56 0.00 -0.14 0.54 -2.24 -0.34 -4.86 114.28 111.80 2k7k n THR 43 Ca -0.17 -0.17 0.08 0.00 -2.27 0.00 0.00 64.05 61.52 2k7k n THR 43 Cb 0.51 -0.72 0.41 0.00 -2.10 0.00 0.00 70.33 68.42 2k7k n THR 43 CO 0.00 0.00 0.00 -0.78 -0.57 0.00 0.00 175.07 173.72 2k7k h ASP 44 N -1.75 0.55 -0.16 3.42 3.58 -2.00 -3.41 116.42 116.65 2k7k h ASP 44 Ca -0.45 0.01 0.16 0.00 0.42 0.00 0.00 57.03 57.16 2k7k h ASP 44 Cb 1.29 -0.11 -0.17 0.00 1.72 0.00 0.00 39.33 42.05 2k7k h ASP 44 CO 0.37 0.35 -0.07 -0.60 -2.88 0.00 0.00 179.24 176.41 2k7k s ARG 45 N -5.57 0.12 0.00 0.28 3.52 -1.26 -5.06 118.95 110.98 2k7k s ARG 45 Ca -0.09 -0.02 0.00 0.00 -0.13 0.00 0.00 55.73 55.49 2k7k s ARG 45 Cb 0.19 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.60 2k7k s ARG 45 CO 0.76 -0.18 0.00 0.41 -0.81 0.00 0.00 175.30 175.48 2k7k n GLY 46 N 3.85 -1.72 3.61 8.12 0.00 -1.26 -5.16 105.19 112.63 2k7k n GLY 46 Ca 0.06 0.60 -0.13 0.00 0.00 0.00 0.00 46.02 46.55 2k7k n GLY 46 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2k7k s THR 47 N 0.00 0.00 -0.33 2.61 -4.23 -1.26 -4.76 115.64 107.67 2k7k s THR 47 Ca 0.00 -1.37 -0.01 0.00 -1.18 0.00 0.00 61.69 59.13 2k7k s THR 47 Cb 0.00 -2.74 0.07 0.00 1.34 0.00 0.00 72.50 71.17 2k7k s THR 47 CO 0.00 0.00 0.05 -0.69 -0.54 0.00 0.00 174.62 173.44 2k7k s VAL 48 N -2.74 2.91 1.09 2.29 1.01 -1.17 -1.20 120.40 122.59 2k7k s VAL 48 Ca 0.25 -1.68 -0.16 0.00 0.00 0.00 0.00 61.98 60.38 2k7k s VAL 48 Cb -0.02 -2.81 0.24 0.00 0.00 0.00 0.00 36.38 33.78 2k7k s VAL 48 CO 0.17 -0.30 1.12 0.00 0.00 0.00 0.00 175.10 176.09 2k7k s GLN 49 N 1.17 -0.34 0.00 2.72 -2.07 0.28 -3.55 119.66 117.86 2k7k s GLN 49 Ca -0.00 0.14 0.00 0.00 -1.82 0.00 0.00 55.36 53.68 2k7k s GLN 49 Cb -0.20 -1.68 0.00 0.00 -1.09 0.00 0.00 33.01 30.04 2k7k s GLN 49 CO -0.03 -3.17 0.00 0.41 -1.32 0.00 0.00 175.29 171.18 2k7k n GLY 50 N -1.27 0.69 3.93 2.60 0.00 -1.03 -2.87 105.19 107.23 2k7k n GLY 50 Ca 0.10 0.61 -0.25 0.00 0.00 0.00 0.00 46.02 46.48 2k7k n GLY 50 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2k7k s GLN 51 N 0.00 3.20 -0.18 1.61 0.74 -1.02 -1.42 119.66 122.59 2k7k s GLN 51 Ca 0.00 -0.15 -0.14 0.00 0.05 0.00 0.00 55.36 55.12 2k7k s GLN 51 Cb 0.00 -2.44 0.05 0.00 1.10 0.00 0.00 33.01 31.73 2k7k s GLN 51 CO 0.00 -0.33 0.47 -1.17 -0.55 0.00 0.00 175.29 173.71 2k7k s LEU 52 N -4.70 -0.00 0.01 3.68 2.96 -0.61 -3.84 118.68 116.18 2k7k s LEU 52 Ca 0.49 0.98 0.07 0.00 -0.22 0.00 0.00 54.13 55.44 2k7k s LEU 52 Cb -0.10 1.60 -0.02 0.00 0.50 0.00 0.00 46.19 48.16 2k7k s LEU 52 CO 0.42 -0.18 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.96 2k7k s GLN 53 N 0.76 1.52 0.00 1.98 1.11 -1.19 -1.77 119.66 122.07 2k7k s GLN 53 Ca -0.04 -0.81 0.00 0.00 0.01 0.00 0.00 55.36 54.52 2k7k s GLN 53 Cb -0.05 -1.54 0.00 0.00 -1.01 0.00 0.00 33.01 30.41 2k7k s GLN 53 CO -0.06 0.41 0.00 0.41 0.01 0.00 0.00 175.29 176.06 2k7k n GLY 54 N 2.27 1.62 3.77 3.09 0.00 -0.16 -4.30 105.19 111.48 2k7k n GLY 54 Ca -0.16 -1.17 -0.36 0.00 0.00 0.00 0.00 46.02 44.33 2k7k n GLY 54 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2k7k s PRO 55 N -1.99 3.63 0.51 1.61 0.04 -1.26 -0.11 135.00 137.42 2k7k s PRO 55 Ca 0.00 1.72 0.24 0.00 0.04 0.00 0.00 61.00 63.00 2k7k s PRO 55 Cb 0.00 -2.28 1.35 0.00 0.04 0.00 0.00 34.50 33.61 2k7k s PRO 55 CO 0.00 -0.65 1.97 0.97 0.04 0.00 0.00 177.00 179.34 2k7k h ILE 56 N 1.65 0.73 0.00 0.56 2.10 -1.76 0.29 117.51 121.09 2k7k h ILE 56 Ca -0.50 -0.02 -0.01 0.00 1.08 0.00 0.00 64.86 65.41 2k7k h ILE 56 Cb 1.25 0.65 -0.00 0.00 -1.09 0.00 0.00 36.82 37.63 2k7k h ILE 56 CO 0.59 0.01 -0.06 -1.28 -1.08 0.00 0.00 178.15 176.34 2k7k h SER 57 N 0.07 0.00 0.00 2.19 0.87 -1.89 0.23 113.55 115.02 2k7k h SER 57 Ca 0.29 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.52 2k7k h SER 57 Cb 1.05 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.95 2k7k h SER 57 CO -0.02 0.06 -2.25 0.29 -0.53 0.00 0.00 176.83 174.37 2k7k n LYS 58 N -4.07 0.87 0.19 2.24 4.01 0.70 -4.40 118.16 117.69 2k7k n LYS 58 Ca -0.03 0.05 0.06 0.00 -0.51 0.00 0.00 58.31 57.89 2k7k n LYS 58 Cb 0.14 -1.46 0.37 0.00 -0.51 0.00 0.00 35.03 33.58 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 2k7k h VAL 59 N 0.00 0.89 0.00 -0.18 2.07 -0.43 -2.82 116.25 115.78 2k7k h VAL 59 Ca -0.49 -1.41 -0.03 0.00 0.82 0.00 0.00 66.70 65.59 2k7k h VAL 59 Cb 1.96 1.85 -0.00 0.00 -1.52 0.00 0.00 31.29 33.58 2k7k h VAL 59 CO -0.02 0.34 -0.14 -0.09 0.02 0.00 0.00 177.57 177.69 2k7k h ARG 60 N 0.00 0.00 0.00 1.57 9.65 -0.76 -0.92 114.38 123.92 2k7k h ARG 60 Ca -0.00 0.00 -0.17 0.00 -1.10 0.00 0.00 59.98 58.70 2k7k h ARG 60 Cb 0.82 0.00 -0.03 0.00 -1.39 0.00 0.00 29.97 29.38 2k7k h ARG 60 CO 0.05 0.14 -1.15 0.45 2.80 0.00 0.00 179.97 182.25 2k7k h HIS 61 N 0.00 0.00 0.05 2.20 3.86 -1.73 -3.31 115.15 116.23 2k7k h HIS 61 Ca -0.00 0.00 -0.28 0.00 -1.16 0.00 0.00 60.37 58.93 2k7k h HIS 61 Cb 0.31 0.00 0.02 0.00 1.06 0.00 0.00 27.41 28.80 2k7k h HIS 61 CO 0.00 0.68 -1.12 0.52 0.86 0.00 0.00 177.93 178.87 2k7k h MET 62 N 0.00 0.63 -0.20 2.45 2.86 -1.31 -3.19 114.93 116.16 2k7k h MET 62 Ca -0.12 -0.74 -0.01 0.00 -2.06 0.00 0.00 59.70 56.77 2k7k h MET 62 Cb 1.62 0.23 -0.01 0.00 0.06 0.00 0.00 31.60 33.50 2k7k h MET 62 CO 0.07 1.32 0.07 -0.56 1.06 0.00 0.00 176.91 178.86 2k7k h GLN 63 N 0.32 0.27 -0.87 1.72 3.07 -1.32 -0.62 115.11 117.68 2k7k h GLN 63 Ca -0.15 -0.03 -0.30 0.00 0.09 0.00 0.00 58.65 58.26 2k7k h GLN 63 Cb 1.78 -0.06 -0.18 0.00 0.08 0.00 0.00 27.48 29.10 2k7k h GLN 63 CO 0.21 0.24 0.38 -0.85 0.09 0.00 0.00 178.83 178.91 2k7k n GLU 64 N -4.44 2.97 0.00 0.06 0.28 -1.22 -4.03 120.64 114.26 2k7k n GLU 64 Ca -0.00 -2.75 0.00 0.00 -0.16 0.00 0.00 57.16 54.25 2k7k n GLU 64 Cb 0.13 -2.11 0.00 0.00 1.43 0.00 0.00 31.44 30.89 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.16 0.00 0.00 177.13 178.84 2k7k n TRP 65 N -0.43 0.00 1.39 -1.84 -0.00 -0.46 -4.59 117.44 111.49 2k7k n TRP 65 Ca 0.44 0.00 0.14 0.00 -0.00 0.00 0.00 57.50 58.08 2k7k n TRP 65 Cb 1.40 0.02 0.73 0.00 -0.00 0.00 0.00 31.31 33.46 2k7k n TRP 65 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 177.69 178.97 2k7k n LEU 66 N -1.88 0.00 -0.10 5.87 4.77 -0.37 -0.12 117.00 125.18 2k7k n LEU 66 Ca 0.00 0.26 -0.12 0.00 -0.03 0.00 0.00 56.01 56.11 2k7k n LEU 66 Cb 0.16 -0.26 -0.11 0.00 -2.33 0.00 0.00 43.42 40.89 2k7k n LEU 66 CO 0.00 -0.02 -1.13 -1.84 -1.33 0.00 0.00 177.39 173.07 2k7k n GLU 67 N -1.26 0.79 -2.38 3.23 0.28 -1.26 -4.67 120.64 115.37 2k7k n GLU 67 Ca 0.14 0.08 -0.10 0.00 -0.16 0.00 0.00 57.16 57.12 2k7k n GLU 67 Cb 0.21 -1.41 0.04 0.00 1.43 0.00 0.00 31.44 31.71 2k7k n GLU 67 CO 0.00 0.00 0.00 -2.37 -0.16 0.00 0.00 177.13 174.60 2k7k n THR 68 N -2.94 1.80 -4.02 3.84 5.66 -1.22 -4.87 114.28 112.53 2k7k n THR 68 Ca -0.33 -3.43 0.03 0.00 -3.05 0.00 0.00 64.05 57.27 2k7k n THR 68 Cb 0.93 0.19 0.01 0.00 -1.55 0.00 0.00 70.33 69.92 2k7k n THR 68 CO 0.00 0.00 0.00 -1.14 -3.05 0.00 0.00 175.07 170.88 2k7k n ARG 69 N -0.63 0.10 0.00 1.09 0.63 0.83 -4.88 116.66 113.80 2k7k n ARG 69 Ca 0.23 -0.62 0.00 0.00 -0.92 0.00 0.00 57.85 56.55 2k7k n ARG 69 Cb 0.88 1.09 0.00 0.00 0.45 0.00 0.00 32.46 34.88 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2k7k n GLY 70 N -0.89 0.36 3.92 5.14 0.00 -1.23 -4.28 105.19 108.21 2k7k n GLY 70 Ca 0.05 -1.18 -0.26 0.00 0.00 0.00 0.00 46.02 44.63 2k7k n GLY 70 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2k7k s SER 71 N -4.00 6.25 0.10 1.61 0.15 -1.26 -5.02 113.70 111.53 2k7k s SER 71 Ca 0.00 0.70 -0.15 0.00 0.70 0.00 0.00 55.95 57.20 2k7k s SER 71 Cb 0.00 -2.12 -0.08 0.00 -1.71 0.00 0.00 66.02 62.11 2k7k s SER 71 CO 0.00 -0.47 1.43 1.55 1.20 0.00 0.00 173.24 176.94 2k7k h PRO 72 N 0.45 0.72 -1.12 5.44 0.13 -2.01 -3.16 132.00 132.45 2k7k h PRO 72 Ca -0.48 -0.38 -0.55 0.00 -0.87 0.00 0.00 66.00 63.73 2k7k h PRO 72 Cb 1.21 0.01 -0.25 0.00 0.13 0.00 0.00 31.00 32.11 2k7k h PRO 72 CO 0.61 0.99 0.71 1.63 -0.23 0.00 0.00 178.00 181.71 2k7k n LYS 73 N -4.25 2.35 -3.08 0.86 4.01 -1.26 -4.57 118.16 112.22 2k7k n LYS 73 Ca -0.04 -2.74 -0.24 0.00 -0.51 0.00 0.00 58.31 54.78 2k7k n LYS 73 Cb 0.47 -2.07 -0.04 0.00 -0.51 0.00 0.00 35.03 32.88 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 -1.11 0.00 0.00 177.40 175.16 2k7k n SER 74 N -0.63 3.08 -4.50 4.39 3.41 -1.20 -4.44 113.62 113.73 2k7k n SER 74 Ca 0.53 -3.40 -0.45 0.00 -0.26 0.00 0.00 58.87 55.29 2k7k n SER 74 Cb 0.83 -0.59 -0.07 0.00 -0.26 0.00 0.00 64.21 64.12 2k7k n SER 74 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 2k7k n HIS 75 N 0.11 1.44 -2.19 7.33 -0.00 -1.26 -4.78 115.22 115.86 2k7k n HIS 75 Ca 0.29 0.21 -0.43 0.00 0.46 0.00 0.00 57.72 58.25 2k7k n HIS 75 Cb 0.48 -2.56 0.00 0.00 -0.12 0.00 0.00 29.99 27.79 2k7k n HIS 75 CO 0.00 0.00 0.00 -0.89 0.46 0.00 0.00 176.34 175.91 2k7k n ILE 76 N 7.52 3.75 -0.18 3.57 5.41 -1.26 -3.78 119.36 134.38 2k7k n ILE 76 Ca 0.43 -3.64 -0.01 0.00 1.00 0.00 0.00 62.75 60.53 2k7k n ILE 76 Cb 0.31 -2.47 0.22 0.00 -0.71 0.00 0.00 39.64 36.98 2k7k n ILE 76 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2k7k h ASP 77 N 6.76 0.83 -2.06 4.38 1.82 -1.83 -3.41 116.42 122.90 2k7k h ASP 77 Ca 0.50 -0.07 -0.19 0.00 -0.39 0.00 0.00 57.03 56.88 2k7k h ASP 77 Cb 0.75 -0.21 -0.31 0.00 0.68 0.00 0.00 39.33 40.24 2k7k h ASP 77 CO 1.66 0.69 -0.51 -0.54 -1.61 0.00 0.00 179.24 178.92 2k7k s LYS 78 N -5.58 0.31 -0.38 0.28 -0.14 -1.23 -5.00 119.74 108.00 2k7k s LYS 78 Ca -0.10 0.48 -0.03 0.00 -1.36 0.00 0.00 55.97 54.96 2k7k s LYS 78 Cb 0.17 -0.60 0.09 0.00 -1.68 0.00 0.00 37.83 35.81 2k7k s LYS 78 CO 0.79 -0.63 0.15 0.00 -0.76 0.00 0.00 175.35 174.90 2k7k s ALA 79 N 2.50 3.07 0.47 5.17 0.00 -1.26 -3.11 121.76 128.60 2k7k s ALA 79 Ca 0.11 -2.30 0.07 0.00 0.00 0.00 0.00 51.96 49.84 2k7k s ALA 79 Cb -0.15 -2.29 0.00 0.00 0.00 0.00 0.00 23.12 20.68 2k7k s ALA 79 CO -0.15 -1.64 0.39 0.54 0.00 0.00 0.00 175.76 174.89 2k7k s ASN 80 N 1.65 4.83 0.38 0.00 4.22 -1.16 -4.95 114.94 119.91 2k7k s ASN 80 Ca 0.04 -0.96 0.04 0.00 -2.14 0.00 0.00 52.86 49.84 2k7k s ASN 80 Cb -0.22 -0.18 -0.04 0.00 1.28 0.00 0.00 41.25 42.09 2k7k s ASN 80 CO -0.03 -0.83 0.09 0.72 -2.04 0.00 0.00 177.10 175.01 2k7k s PHE 81 N -2.60 1.87 0.54 1.54 -0.12 -1.26 -3.25 117.98 114.70 2k7k s PHE 81 Ca 0.43 -1.11 0.05 0.00 -0.05 0.00 0.00 56.93 56.25 2k7k s PHE 81 Cb -0.02 -1.25 0.03 0.00 -0.63 0.00 0.00 43.02 41.15 2k7k s PHE 81 CO 0.26 -0.12 0.35 1.21 -0.05 0.00 0.00 175.22 176.87 2k7k s ASN 82 N -3.57 4.56 -0.86 1.98 3.84 0.17 -4.93 114.94 116.13 2k7k s ASN 82 Ca 0.29 -1.31 -0.25 0.00 0.21 0.00 0.00 52.86 51.79 2k7k s ASN 82 Cb 0.05 0.45 -0.08 0.00 -0.55 0.00 0.00 41.25 41.13 2k7k s ASN 82 CO 0.14 -1.08 2.10 0.20 -2.79 0.00 0.00 177.10 175.68 2k7k s ASN 83 N -4.23 4.72 0.29 -4.21 0.01 -1.26 -4.73 114.94 105.52 2k7k s ASN 83 Ca 0.30 -0.43 -0.30 0.00 -0.71 0.00 0.00 52.86 51.72 2k7k s ASN 83 Cb -0.02 -2.56 -0.12 0.00 0.41 0.00 0.00 41.25 38.97 2k7k s ASN 83 CO 0.18 -3.13 1.51 1.21 -1.51 0.00 0.00 177.10 175.37 2k7k n GLU 84 N 8.84 2.47 -4.55 -0.60 2.13 -1.26 -4.85 120.64 122.83 2k7k n GLU 84 Ca 0.42 0.88 -0.27 0.00 0.66 0.00 0.00 57.16 58.85 2k7k n GLU 84 Cb 0.46 -2.60 -0.08 0.00 0.27 0.00 0.00 31.44 29.49 2k7k n GLU 84 CO 0.00 0.00 0.00 -1.59 -0.41 0.00 0.00 177.13 175.13 2k7k s LYS 85 N -0.70 2.00 0.03 5.31 -2.85 -0.71 -4.97 119.74 117.85 2k7k s LYS 85 Ca 0.64 -2.23 0.09 0.00 -1.00 0.00 0.00 55.97 53.46 2k7k s LYS 85 Cb -0.54 -0.67 -0.03 0.00 -2.06 0.00 0.00 37.83 34.53 2k7k s LYS 85 CO 0.51 -0.50 -0.25 0.14 0.10 0.00 0.00 175.35 175.35 2k7k s VAL 86 N -3.16 2.00 0.29 1.79 -7.23 -1.26 -1.90 120.40 110.94 2k7k s VAL 86 Ca 0.21 -1.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.10 2k7k s VAL 86 Cb 0.02 -1.70 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 2k7k s VAL 86 CO 0.14 0.37 0.32 0.27 -0.31 0.00 0.00 175.10 175.89 2k7k s ILE 87 N -0.75 0.00 -0.05 -0.62 -0.00 0.60 -4.96 121.20 115.42 2k7k s ILE 87 Ca 0.10 -1.82 -0.12 0.00 -0.00 0.00 0.00 60.65 58.81 2k7k s ILE 87 Cb -0.10 -2.51 -0.07 0.00 -0.00 0.00 0.00 42.46 39.78 2k7k s ILE 87 CO 0.01 0.00 0.50 -0.07 -0.00 0.00 0.00 174.94 175.39 2k7k h LEU 88 N 2.27 -0.36 0.00 0.37 3.38 -2.01 -3.37 115.31 115.58 2k7k h LEU 88 Ca -0.29 0.01 -0.22 0.00 0.09 0.00 0.00 57.88 57.47 2k7k h LEU 88 Cb 1.24 0.09 -0.05 0.00 0.09 0.00 0.00 40.66 42.03 2k7k h LEU 88 CO 0.41 0.08 -0.20 0.29 0.09 0.00 0.00 178.44 179.12 2k7k n LYS 89 N -5.06 0.58 -0.67 1.13 5.02 -1.26 -4.69 118.16 113.20 2k7k n LYS 89 Ca -0.05 -1.43 -0.32 0.00 -2.02 0.00 0.00 58.31 54.48 2k7k n LYS 89 Cb 0.17 0.91 0.17 0.00 -0.02 0.00 0.00 35.03 36.26 2k7k n LYS 89 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2k7k n LEU 90 N 0.00 -2.33 -0.05 -0.35 4.77 -1.26 -4.97 117.00 112.80 2k7k n LEU 90 Ca -0.01 -0.13 -0.05 0.00 -0.03 0.00 0.00 56.01 55.79 2k7k n LEU 90 Cb 0.26 -0.95 -0.09 0.00 -2.33 0.00 0.00 43.42 40.31 2k7k n LEU 90 CO 0.13 -3.07 -0.86 -0.67 -1.33 0.00 0.00 177.39 171.59 2k7k n ASP 91 N -1.65 2.19 -2.73 -1.43 2.03 -1.26 -5.04 116.55 108.66 2k7k n ASP 91 Ca 0.01 0.00 -0.06 0.00 0.52 0.00 0.00 54.79 55.25 2k7k n ASP 91 Cb 0.63 0.81 0.01 0.00 -0.72 0.00 0.00 41.12 41.84 2k7k n ASP 91 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2k7k n TYR 92 N -2.41 -1.76 -0.01 -0.67 9.36 -1.26 -5.07 117.16 115.34 2k7k n TYR 92 Ca -0.18 -0.58 0.01 0.00 3.32 0.00 0.00 57.90 60.47 2k7k n TYR 92 Cb 0.85 -0.12 -0.05 0.00 -0.63 0.00 0.00 39.34 39.39 2k7k n TYR 92 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 2k7k n SER 93 N -2.24 3.45 -3.64 2.98 2.88 -1.26 -5.00 113.62 110.79 2k7k n SER 93 Ca 0.01 0.00 -0.06 0.00 -1.33 0.00 0.00 58.87 57.49 2k7k n SER 93 Cb 0.16 1.03 -0.07 0.00 -0.75 0.00 0.00 64.21 64.58 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 2k7k s ASP 94 N -3.20 -0.28 0.12 -3.46 2.15 -1.26 -4.99 116.67 105.74 2k7k s ASP 94 Ca -0.03 0.53 -0.31 0.00 0.43 0.00 0.00 52.55 53.17 2k7k s ASP 94 Cb 0.03 0.60 -0.10 0.00 -0.30 0.00 0.00 42.92 43.15 2k7k s ASP 94 CO 0.27 -0.09 1.71 0.12 -0.17 0.00 0.00 175.17 177.01 2k7k s PHE 95 N 0.25 2.46 0.03 -5.34 2.19 -1.24 -4.47 117.98 111.86 2k7k s PHE 95 Ca 0.04 0.24 0.02 0.00 0.33 0.00 0.00 56.93 57.55 2k7k s PHE 95 Cb -0.05 -4.06 -0.02 0.00 -1.31 0.00 0.00 43.02 37.58 2k7k s PHE 95 CO -0.11 -4.22 -0.07 -1.14 1.83 0.00 0.00 175.22 171.51 2k7k s GLN 96 N 2.31 0.49 -0.48 10.12 0.74 -0.79 -4.89 119.66 127.16 2k7k s GLN 96 Ca 0.76 -0.66 -0.18 0.00 0.05 0.00 0.00 55.36 55.33 2k7k s GLN 96 Cb -0.44 -0.28 0.06 0.00 1.10 0.00 0.00 33.01 33.45 2k7k s GLN 96 CO 0.34 0.05 0.52 0.42 -0.55 0.00 0.00 175.29 176.07 2k7k s ILE 97 N -1.20 5.03 0.16 -2.34 1.01 -1.26 -2.90 121.20 119.70 2k7k s ILE 97 Ca -0.09 -0.67 -0.18 0.00 0.00 0.00 0.00 60.65 59.72 2k7k s ILE 97 Cb -0.09 -4.20 -0.07 0.00 0.01 0.00 0.00 42.46 38.11 2k7k s ILE 97 CO 0.00 -0.67 0.63 -0.69 0.00 0.00 0.00 174.94 174.21 2k7k s VAL 98 N 2.22 4.70 -2.00 2.92 1.01 -0.43 -4.93 120.40 123.88 2k7k s VAL 98 Ca 0.11 1.12 0.01 0.00 0.00 0.00 0.00 61.98 63.22 2k7k s VAL 98 Cb -0.21 -3.83 0.04 0.00 0.00 0.00 0.00 36.38 32.38 2k7k s VAL 98 CO 0.10 0.30 0.58 1.17 0.00 0.00 0.00 175.10 177.25