#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 2.77 -0.05 4.61 0.00 -1.26 -5.07 121.76 122.76 2k7k s ALA 2 Ca 0.00 -2.12 -0.25 0.00 0.00 0.00 0.00 51.96 49.59 2k7k s ALA 2 Cb 0.00 0.23 -0.20 0.00 0.00 0.00 0.00 23.12 23.15 2k7k s ALA 2 CO 0.00 -0.10 1.06 0.93 0.00 0.00 0.00 175.76 177.65 2k7k h GLU 3 N 2.01 -0.06 -0.97 0.00 5.08 -2.11 -3.47 114.58 115.06 2k7k h GLU 3 Ca -0.42 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 58.13 2k7k h GLU 3 Cb 1.24 0.01 -0.27 0.00 0.50 0.00 0.00 28.75 30.23 2k7k h GLU 3 CO 0.73 0.50 0.44 0.20 -1.00 0.00 0.00 179.01 179.88 2k7k s GLY 4 N -3.40 0.13 -0.93 -3.84 0.00 -1.26 -5.10 107.32 92.92 2k7k s GLY 4 Ca -0.16 3.37 -0.10 0.00 0.00 0.00 0.00 44.72 47.83 2k7k s GLY 4 CO 0.62 3.01 0.88 -1.31 0.00 0.00 0.00 173.10 176.30 2k7k s ASN 5 N 1.79 6.79 -0.65 1.64 0.01 -1.26 -5.00 114.94 118.25 2k7k s ASN 5 Ca -0.05 -3.17 -0.26 0.00 -0.71 0.00 0.00 52.86 48.67 2k7k s ASN 5 Cb -0.03 -2.15 -0.09 0.00 0.41 0.00 0.00 41.25 39.39 2k7k s ASN 5 CO -0.15 -0.40 2.32 -0.89 -1.51 0.00 0.00 177.10 176.47 2k7k s THR 6 N -0.58 3.08 0.26 1.60 2.01 -1.26 -4.89 115.64 115.85 2k7k s THR 6 Ca 0.24 -0.01 -0.30 0.00 0.31 0.00 0.00 61.69 61.92 2k7k s THR 6 Cb -0.11 -3.19 -0.11 0.00 0.01 0.00 0.00 72.50 69.11 2k7k s THR 6 CO -0.08 -0.18 1.58 -0.22 -0.69 0.00 0.00 174.62 175.03 2k7k s LEU 7 N 12.75 4.36 0.20 4.42 1.98 -1.26 -3.01 118.68 138.11 2k7k s LEU 7 Ca 0.90 2.85 0.04 0.00 -2.89 0.00 0.00 54.13 55.04 2k7k s LEU 7 Cb -0.14 -3.62 -0.05 0.00 0.66 0.00 0.00 46.19 43.04 2k7k s LEU 7 CO 0.16 -0.87 -0.05 0.27 -1.89 0.00 0.00 176.35 173.97 2k7k s ILE 8 N 0.29 1.12 -0.01 6.68 -4.36 -0.74 -2.84 121.20 121.34 2k7k s ILE 8 Ca 0.65 -2.05 0.06 0.00 -0.26 0.00 0.00 60.65 59.05 2k7k s ILE 8 Cb -0.47 -2.14 -0.02 0.00 1.25 0.00 0.00 42.46 41.09 2k7k s ILE 8 CO 0.43 -0.50 -0.19 -0.55 0.24 0.00 0.00 174.94 174.37 2k7k s SER 9 N -3.25 2.27 -0.15 4.36 0.15 0.14 -2.98 113.70 114.23 2k7k s SER 9 Ca 0.24 -0.35 -0.30 0.00 0.70 0.00 0.00 55.95 56.23 2k7k s SER 9 Cb 0.04 -0.25 0.12 0.00 -1.71 0.00 0.00 66.02 64.22 2k7k s SER 9 CO 0.05 0.23 0.94 0.54 1.20 0.00 0.00 173.24 176.21 2k7k s VAL 10 N -0.46 0.00 0.57 4.45 0.11 -1.22 -2.10 120.40 121.75 2k7k s VAL 10 Ca 0.07 0.00 0.06 0.00 -2.93 0.00 0.00 61.98 59.18 2k7k s VAL 10 Cb -0.07 -1.00 0.06 0.00 -1.53 0.00 0.00 36.38 33.83 2k7k s VAL 10 CO -0.01 0.00 0.49 1.51 -3.33 0.00 0.00 175.10 173.76 2k7k s ASP 11 N -1.04 4.68 0.27 3.54 1.47 0.46 -2.95 116.67 123.10 2k7k s ASP 11 Ca -0.03 -1.23 -0.02 0.00 1.18 0.00 0.00 52.55 52.45 2k7k s ASP 11 Cb -0.01 0.52 -0.02 0.00 -0.34 0.00 0.00 42.92 43.08 2k7k s ASP 11 CO 0.03 -1.21 0.33 -0.31 0.68 0.00 0.00 175.17 174.68 2k7k s TYR 12 N -2.79 1.07 -0.29 2.11 1.51 -1.21 -2.67 117.35 115.08 2k7k s TYR 12 Ca 0.38 -1.27 -0.15 0.00 -1.01 0.00 0.00 57.07 55.01 2k7k s TYR 12 Cb -0.03 -0.30 0.13 0.00 -0.11 0.00 0.00 41.96 41.65 2k7k s TYR 12 CO 0.24 -0.89 0.88 -2.00 -1.11 0.00 0.00 175.55 172.66 2k7k s GLU 13 N -3.70 0.47 0.10 -0.62 2.12 -1.10 -3.94 118.70 112.02 2k7k s GLU 13 Ca 0.33 0.88 0.10 0.00 0.36 0.00 0.00 54.97 56.65 2k7k s GLU 13 Cb 0.03 0.21 -0.04 0.00 0.26 0.00 0.00 34.13 34.59 2k7k s GLU 13 CO 0.16 -0.11 -0.27 0.42 -0.54 0.00 0.00 175.26 174.93 2k7k s ILE 14 N 1.70 2.19 0.02 -3.70 -1.09 -1.22 -3.32 121.20 115.78 2k7k s ILE 14 Ca -0.08 -1.60 0.02 0.00 -2.23 0.00 0.00 60.65 56.76 2k7k s ILE 14 Cb -0.05 -1.92 -0.01 0.00 -1.58 0.00 0.00 42.46 38.90 2k7k s ILE 14 CO -0.17 0.20 -0.07 0.12 -1.23 0.00 0.00 174.94 173.79 2k7k s PHE 15 N -0.96 0.62 0.00 3.97 5.36 -1.12 -3.73 117.98 122.12 2k7k s PHE 15 Ca 0.13 -0.28 0.00 0.00 -0.96 0.00 0.00 56.93 55.81 2k7k s PHE 15 Cb -0.10 -0.38 0.00 0.00 -0.34 0.00 0.00 43.02 42.20 2k7k s PHE 15 CO 0.04 -0.04 0.00 0.41 -1.46 0.00 0.00 175.22 174.18 2k7k n GLY 16 N 2.24 0.74 1.99 13.12 0.00 -1.26 -0.25 105.19 121.78 2k7k n GLY 16 Ca -0.17 -0.74 -0.12 0.00 0.00 0.00 0.00 46.02 44.99 2k7k n GLY 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2k7k n LYS 17 N 0.00 3.06 -1.13 1.61 3.00 -1.16 -4.48 118.16 119.06 2k7k n LYS 17 Ca 0.00 -3.07 -0.23 0.00 -0.00 0.00 0.00 58.31 55.01 2k7k n LYS 17 Cb 0.00 -2.17 0.14 0.00 0.00 0.00 0.00 35.03 33.01 2k7k n LYS 17 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2k7k n VAL 18 N -0.58 3.07 0.00 3.15 0.24 -1.26 -4.33 118.33 118.62 2k7k n VAL 18 Ca 0.47 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.87 2k7k n VAL 18 Cb 1.45 -0.65 0.00 0.00 -1.47 0.00 0.00 33.84 33.18 2k7k n VAL 18 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2k7k n GLN 19 N -0.92 0.00 -1.39 7.34 6.02 -1.26 -4.53 117.38 122.63 2k7k n GLN 19 Ca 0.54 0.00 -0.27 0.00 -0.01 0.00 0.00 57.00 57.27 2k7k n GLN 19 Cb 1.39 -0.28 -0.08 0.00 1.02 0.00 0.00 30.24 32.29 2k7k n GLN 19 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2k7k n GLY 20 N 2.34 4.06 3.01 1.08 0.00 -1.26 -4.86 105.19 109.56 2k7k n GLY 20 Ca 0.00 -1.63 -0.09 0.00 0.00 0.00 0.00 46.02 44.30 2k7k n GLY 20 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7k s VAL 21 N -0.22 0.13 -0.38 1.61 0.11 -1.26 -5.04 120.40 115.34 2k7k s VAL 21 Ca 0.63 -1.05 0.04 0.00 -2.93 0.00 0.00 61.98 58.66 2k7k s VAL 21 Cb 0.29 -0.49 0.58 0.00 -1.53 0.00 0.00 36.38 35.23 2k7k s VAL 21 CO -0.10 -0.58 1.78 2.22 -3.33 0.00 0.00 175.10 175.09 2k7k n PHE 22 N 1.33 2.61 0.23 1.54 1.16 -1.26 -4.51 117.46 118.56 2k7k n PHE 22 Ca -0.22 -1.62 0.15 0.00 -1.87 0.00 0.00 57.45 53.89 2k7k n PHE 22 Cb 0.56 -0.84 0.82 0.00 -1.61 0.00 0.00 39.48 38.42 2k7k n PHE 22 CO 0.00 0.00 0.00 0.35 -1.87 0.00 0.00 176.76 175.24 2k7k h PHE 23 N 0.95 0.00 -0.78 2.97 3.57 -1.96 -1.39 116.94 120.29 2k7k h PHE 23 Ca 0.53 0.00 0.20 0.00 3.53 0.00 0.00 57.97 62.23 2k7k h PHE 23 Cb 2.58 0.00 -0.04 0.00 2.79 0.00 0.00 35.95 41.28 2k7k h PHE 23 CO 1.36 0.00 0.54 0.07 -2.23 0.00 0.00 178.31 178.04 2k7k h ARG 24 N 0.00 0.19 -0.52 1.11 0.11 -1.99 0.17 114.38 113.45 2k7k h ARG 24 Ca 0.06 -0.01 -0.03 0.00 0.10 0.00 0.00 59.98 60.09 2k7k h ARG 24 Cb 0.30 -0.04 -0.02 0.00 1.11 0.00 0.00 29.97 31.32 2k7k h ARG 24 CO -0.00 0.12 0.19 -0.22 0.10 0.00 0.00 179.97 180.16 2k7k h LYS 25 N 0.19 0.75 0.00 0.08 3.11 -1.63 -2.21 116.57 116.86 2k7k h LYS 25 Ca 0.38 -0.12 -0.15 0.00 -2.81 0.00 0.00 60.65 57.96 2k7k h LYS 25 Cb 1.22 -0.13 -0.02 0.00 -1.00 0.00 0.00 32.23 32.30 2k7k h LYS 25 CO -0.07 0.64 -0.69 0.45 -2.81 0.00 0.00 179.45 176.96 2k7k h HIS 26 N 0.74 0.00 0.00 1.91 3.86 -0.84 -3.14 115.15 117.68 2k7k h HIS 26 Ca 0.18 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 2k7k h HIS 26 Cb 0.18 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.65 2k7k h HIS 26 CO 0.01 0.69 -0.05 1.15 0.86 0.00 0.00 177.93 180.59 2k7k h THR 27 N 0.00 0.69 0.00 2.45 2.02 -0.88 -0.88 112.91 116.32 2k7k h THR 27 Ca -0.01 -0.21 -0.10 0.00 0.77 0.00 0.00 66.41 66.87 2k7k h THR 27 Cb 1.35 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 68.87 2k7k h THR 27 CO 0.09 0.05 -0.49 -0.61 0.37 0.00 0.00 175.52 174.94 2k7k h GLN 28 N 0.00 0.00 0.00 6.66 4.15 -1.48 -2.22 115.11 122.21 2k7k h GLN 28 Ca -0.00 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 59.41 2k7k h GLN 28 Cb 0.12 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 27.81 2k7k h GLN 28 CO 0.01 0.49 -0.06 0.00 -1.93 0.00 0.00 178.83 177.33 2k7k h ALA 29 N 1.51 0.01 -0.02 3.38 0.00 -1.31 -3.30 119.26 119.53 2k7k h ALA 29 Ca -0.00 -0.23 0.01 0.00 0.00 0.00 0.00 54.91 54.68 2k7k h ALA 29 Cb 1.08 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.91 2k7k h ALA 29 CO 0.06 0.04 0.02 1.05 0.00 0.00 0.00 179.25 180.43 2k7k h GLU 30 N -1.00 0.00 0.00 0.00 4.11 -1.50 -0.50 114.58 115.69 2k7k h GLU 30 Ca -0.01 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.41 2k7k h GLU 30 Cb 0.40 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 2k7k h GLU 30 CO -0.01 0.00 -0.06 0.78 0.07 0.00 0.00 179.01 179.79 2k7k h GLY 31 N 0.00 0.00 1.61 1.06 0.00 -1.51 -2.72 103.07 101.51 2k7k h GLY 31 Ca 0.01 0.00 -0.20 0.00 0.00 0.00 0.00 47.33 47.14 2k7k h GLY 31 CO -0.00 0.00 -1.12 1.70 0.00 0.00 0.00 176.54 177.12 2k7k h LYS 32 N 0.00 0.00 0.15 4.80 3.64 -1.16 -2.99 116.57 121.02 2k7k h LYS 32 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 2k7k h LYS 32 Cb 0.50 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.30 2k7k h LYS 32 CO 0.01 0.67 -0.33 0.87 -2.27 0.00 0.00 179.45 178.40 2k7k h LYS 33 N 0.00 -0.51 -0.42 1.90 1.79 -1.43 -2.92 116.57 114.98 2k7k h LYS 33 Ca -0.10 0.03 -0.13 0.00 -2.18 0.00 0.00 60.65 58.28 2k7k h LYS 33 Cb 1.72 0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 32.47 2k7k h LYS 33 CO 0.09 -0.34 -0.27 -0.07 -1.08 0.00 0.00 179.45 177.79 2k7k h LEU 34 N -0.53 0.92 -1.03 2.94 -0.00 -1.73 -3.49 115.31 112.40 2k7k h LEU 34 Ca -0.02 -0.37 0.00 0.00 -0.00 0.00 0.00 57.88 57.50 2k7k h LEU 34 Cb 0.50 -0.26 0.00 0.00 -0.00 0.00 0.00 40.66 40.90 2k7k h LEU 34 CO -0.13 1.13 0.00 0.61 -0.00 0.00 0.00 178.44 180.05 2k7k n GLY 35 N -0.08 0.30 3.42 0.83 0.00 -1.11 -5.01 105.19 103.54 2k7k n GLY 35 Ca -0.01 -0.50 -0.24 0.00 0.00 0.00 0.00 46.02 45.28 2k7k n GLY 35 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2k7k s LEU 36 N -0.47 1.89 0.32 0.99 1.02 -1.15 -4.92 118.68 116.37 2k7k s LEU 36 Ca 0.00 -1.75 0.06 0.00 0.02 0.00 0.00 54.13 52.46 2k7k s LEU 36 Cb 0.00 0.22 -0.06 0.00 0.02 0.00 0.00 46.19 46.36 2k7k s LEU 36 CO 0.00 -1.03 -0.02 0.68 0.02 0.00 0.00 176.35 176.00 2k7k s VAL 37 N -3.28 1.66 -3.85 -1.59 -7.23 -0.94 -4.01 120.40 101.15 2k7k s VAL 37 Ca 0.30 -2.08 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 2k7k s VAL 37 Cb 0.02 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.29 2k7k s VAL 37 CO 0.21 -0.15 0.00 0.61 -0.31 0.00 0.00 175.10 175.45 2k7k n GLY 38 N -0.71 0.39 3.79 2.32 0.00 -1.24 -1.91 105.19 107.83 2k7k n GLY 38 Ca -0.04 -1.33 -0.09 0.00 0.00 0.00 0.00 46.02 44.56 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 -4.00 0.11 -0.02 1.61 -2.14 -1.24 -3.41 118.94 109.85 2k7k s TRP 39 Ca 0.00 -0.69 -0.00 0.00 2.66 0.00 0.00 56.10 58.06 2k7k s TRP 39 Cb 0.00 0.72 0.02 0.00 -3.10 0.00 0.00 33.47 31.11 2k7k s TRP 39 CO 0.00 -1.44 0.04 0.08 -2.66 0.00 0.00 176.95 172.97 2k7k s VAL 40 N -2.84 -0.04 0.26 -0.66 1.01 -1.11 -3.97 120.40 113.06 2k7k s VAL 40 Ca 0.16 0.14 -0.20 0.00 0.00 0.00 0.00 61.98 62.08 2k7k s VAL 40 Cb -0.05 -0.08 0.06 0.00 0.00 0.00 0.00 36.38 36.31 2k7k s VAL 40 CO 0.11 0.06 0.92 0.00 0.00 0.00 0.00 175.10 176.18 2k7k s GLN 41 N 0.74 1.68 0.34 2.72 -2.07 -1.25 -0.24 119.66 121.58 2k7k s GLN 41 Ca -0.06 -1.06 0.08 0.00 -1.82 0.00 0.00 55.36 52.50 2k7k s GLN 41 Cb -0.09 0.49 -0.07 0.00 -1.09 0.00 0.00 33.01 32.25 2k7k s GLN 41 CO -0.02 -0.79 -0.05 0.54 -1.32 0.00 0.00 175.29 173.65 2k7k s ASN 42 N -3.20 3.41 0.50 12.60 4.22 -1.26 -3.11 114.94 128.10 2k7k s ASN 42 Ca 0.18 -1.24 0.08 0.00 -2.14 0.00 0.00 52.86 49.73 2k7k s ASN 42 Cb -0.04 -0.29 0.03 0.00 1.28 0.00 0.00 41.25 42.23 2k7k s ASN 42 CO 0.07 -0.32 0.54 0.42 -2.04 0.00 0.00 177.10 175.78 2k7k s THR 43 N -2.78 2.29 -0.01 0.54 -4.23 -0.64 -4.92 115.64 105.89 2k7k s THR 43 Ca 0.32 -1.22 0.14 0.00 -1.18 0.00 0.00 61.69 59.76 2k7k s THR 43 Cb 0.05 -2.51 0.03 0.00 1.34 0.00 0.00 72.50 71.40 2k7k s THR 43 CO 0.15 0.00 1.49 0.44 -0.54 0.00 0.00 174.62 176.17 2k7k h ASP 44 N 0.63 0.00 0.00 3.99 3.32 -2.02 -3.37 116.42 118.97 2k7k h ASP 44 Ca -0.36 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.69 2k7k h ASP 44 Cb 1.28 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.83 2k7k h ASP 44 CO 0.50 0.56 0.00 0.54 -1.72 0.00 0.00 179.24 179.12 2k7k n ARG 45 N -3.34 0.00 0.00 3.56 5.12 -1.26 -4.98 116.66 115.76 2k7k n ARG 45 Ca 0.01 0.45 0.00 0.00 -1.93 0.00 0.00 57.85 56.38 2k7k n ARG 45 Cb 0.71 -1.19 0.00 0.00 -1.16 0.00 0.00 32.46 30.83 2k7k n ARG 45 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 2k7k n GLY 46 N 0.62 0.00 3.34 -0.13 0.00 -1.26 -5.18 105.19 102.58 2k7k n GLY 46 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 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 0.01 -0.22 2.61 -4.23 -1.26 -4.77 115.64 107.77 2k7k s THR 47 Ca 0.00 -1.74 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 2k7k s THR 47 Cb 0.00 -2.32 0.04 0.00 1.34 0.00 0.00 72.50 71.55 2k7k s THR 47 CO 0.00 -0.05 -0.14 -0.69 -0.54 0.00 0.00 174.62 173.21 2k7k s VAL 48 N -4.09 2.27 -0.41 2.29 1.01 -1.24 -1.62 120.40 118.61 2k7k s VAL 48 Ca 0.31 -1.22 -0.14 0.00 0.00 0.00 0.00 61.98 60.93 2k7k s VAL 48 Cb 0.04 -2.14 0.03 0.00 0.00 0.00 0.00 36.38 34.31 2k7k s VAL 48 CO 0.09 0.25 0.29 -1.10 0.00 0.00 0.00 175.10 174.64 2k7k s GLN 49 N 1.23 2.91 -0.38 2.72 -0.21 -1.18 -3.45 119.66 121.29 2k7k s GLN 49 Ca -0.01 -1.12 -0.04 0.00 0.02 0.00 0.00 55.36 54.21 2k7k s GLN 49 Cb -0.16 -3.93 0.09 0.00 1.00 0.00 0.00 33.01 30.00 2k7k s GLN 49 CO -0.08 -0.80 0.16 0.20 -2.12 0.00 0.00 175.29 172.65 2k7k s GLY 50 N 1.83 1.92 -0.68 3.09 0.00 -1.25 -4.08 107.32 108.14 2k7k s GLY 50 Ca 0.04 -2.25 -0.27 0.00 0.00 0.00 0.00 44.72 42.24 2k7k s GLY 50 CO 0.08 0.93 1.39 1.62 0.00 0.00 0.00 173.10 177.12 2k7k s GLN 51 N 1.23 3.13 -0.12 2.90 0.74 -1.25 -3.33 119.66 122.96 2k7k s GLN 51 Ca 0.04 0.03 -0.13 0.00 0.05 0.00 0.00 55.36 55.35 2k7k s GLN 51 Cb -0.22 -4.20 -0.05 0.00 1.10 0.00 0.00 33.01 29.65 2k7k s GLN 51 CO -0.02 -2.19 0.30 -1.17 -0.55 0.00 0.00 175.29 171.66 2k7k s LEU 52 N 6.30 4.32 -0.08 3.68 2.96 -1.15 -3.73 118.68 130.98 2k7k s LEU 52 Ca 0.43 0.61 0.01 0.00 -0.22 0.00 0.00 54.13 54.96 2k7k s LEU 52 Cb -0.09 -2.38 0.02 0.00 0.50 0.00 0.00 46.19 44.24 2k7k s LEU 52 CO 0.18 0.20 -0.08 -1.58 -1.32 0.00 0.00 176.35 173.74 2k7k s GLN 53 N -0.11 1.43 -0.07 1.98 2.00 -0.80 -3.41 119.66 120.69 2k7k s GLN 53 Ca 0.18 -0.27 -0.26 0.00 -2.00 0.00 0.00 55.36 53.01 2k7k s GLN 53 Cb -0.14 -1.38 0.09 0.00 0.80 0.00 0.00 33.01 32.37 2k7k s GLN 53 CO 0.06 -0.14 1.18 0.41 -0.50 0.00 0.00 175.29 176.30 2k7k n GLY 54 N 4.44 0.16 3.77 2.59 0.00 -1.16 -2.22 105.19 112.78 2k7k n GLY 54 Ca -0.17 -1.00 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.00 3.56 0.58 1.61 0.04 -1.26 -1.79 135.00 135.75 2k7k s PRO 55 Ca 0.28 1.69 0.28 0.00 0.04 0.00 0.00 61.00 63.29 2k7k s PRO 55 Cb -0.00 -2.21 1.57 0.00 0.04 0.00 0.00 34.50 33.90 2k7k s PRO 55 CO -0.02 -0.69 2.03 0.97 0.04 0.00 0.00 177.00 179.33 2k7k h ILE 56 N 1.54 0.46 0.00 0.56 2.10 -1.88 0.33 117.51 120.62 2k7k h ILE 56 Ca -0.50 0.00 -0.05 0.00 1.08 0.00 0.00 64.86 65.39 2k7k h ILE 56 Cb 1.25 0.76 -0.01 0.00 -1.09 0.00 0.00 36.82 37.74 2k7k h ILE 56 CO 0.59 0.00 -0.25 -1.28 -1.08 0.00 0.00 178.15 176.12 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.87 -1.91 -0.15 113.55 114.56 2k7k h SER 57 Ca 0.14 0.00 -0.33 0.00 -1.23 0.00 0.00 61.79 60.37 2k7k h SER 57 Cb 0.74 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.64 2k7k h SER 57 CO -0.00 0.25 -2.23 0.29 -0.53 0.00 0.00 176.83 174.61 2k7k n LYS 58 N -3.75 0.97 -0.04 2.24 4.01 0.77 -4.38 118.16 117.98 2k7k n LYS 58 Ca -0.01 0.03 -0.12 0.00 -0.51 0.00 0.00 58.31 57.70 2k7k n LYS 58 Cb 0.36 -1.45 0.02 0.00 -0.51 0.00 0.00 35.03 33.44 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 1.30 0.00 -0.18 2.07 -0.51 -0.75 116.25 118.18 2k7k h VAL 59 Ca -0.49 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.31 2k7k h VAL 59 Cb 2.00 1.65 -0.00 0.00 -1.52 0.00 0.00 31.29 33.42 2k7k h VAL 59 CO -0.00 0.55 -0.01 -0.09 0.02 0.00 0.00 177.57 178.04 2k7k h ARG 60 N 0.56 0.00 0.05 1.57 9.65 -1.24 -0.75 114.38 124.22 2k7k h ARG 60 Ca 0.02 0.00 -0.33 0.00 -1.10 0.00 0.00 59.98 58.57 2k7k h ARG 60 Cb 1.08 0.00 -0.04 0.00 -1.39 0.00 0.00 29.97 29.62 2k7k h ARG 60 CO 0.11 0.01 -1.89 0.72 2.80 0.00 0.00 179.97 181.71 2k7k n HIS 61 N -4.36 0.99 -0.06 2.20 8.25 -1.13 -3.92 115.22 117.20 2k7k n HIS 61 Ca -0.03 0.29 -0.03 0.00 -0.26 0.00 0.00 57.72 57.69 2k7k n HIS 61 Cb 0.09 -1.16 0.21 0.00 1.12 0.00 0.00 29.99 30.26 2k7k n HIS 61 CO 0.00 0.00 0.00 0.52 0.64 0.00 0.00 176.34 177.50 2k7k h MET 62 N 0.03 0.66 -0.36 -0.41 2.86 -0.58 -2.55 114.93 114.57 2k7k h MET 62 Ca -0.37 -0.17 -0.08 0.00 -2.06 0.00 0.00 59.70 57.02 2k7k h MET 62 Cb 2.03 -0.08 -0.02 0.00 0.06 0.00 0.00 31.60 33.60 2k7k h MET 62 CO 0.07 0.70 -0.12 -0.56 1.06 0.00 0.00 176.91 178.06 2k7k h GLN 63 N 0.62 0.64 -0.93 1.72 3.07 -1.31 -1.70 115.11 117.21 2k7k h GLN 63 Ca 0.12 -0.20 -0.38 0.00 0.09 0.00 0.00 58.65 58.28 2k7k h GLN 63 Cb 0.43 -0.06 -0.23 0.00 0.08 0.00 0.00 27.48 27.71 2k7k h GLN 63 CO 0.02 0.74 0.48 0.39 0.09 0.00 0.00 178.83 180.55 2k7k n GLU 64 N -4.18 2.53 0.00 0.06 -0.58 -1.00 -3.79 120.64 113.68 2k7k n GLU 64 Ca 0.01 -2.69 0.00 0.00 -0.42 0.00 0.00 57.16 54.06 2k7k n GLU 64 Cb 0.35 -2.07 0.00 0.00 -0.57 0.00 0.00 31.44 29.15 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 -0.48 0.00 0.00 177.13 178.52 2k7k n TRP 65 N -0.69 0.00 0.14 -0.32 -0.00 -0.97 -4.66 117.44 110.94 2k7k n TRP 65 Ca 0.48 0.00 0.02 0.00 -0.00 0.00 0.00 57.50 58.00 2k7k n TRP 65 Cb 1.46 0.06 0.07 0.00 -0.00 0.00 0.00 31.31 32.90 2k7k n TRP 65 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 177.69 177.62 2k7k h LEU 66 N 0.00 0.00 -0.05 5.87 3.38 -1.50 0.17 115.31 123.18 2k7k h LEU 66 Ca 0.00 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2k7k h LEU 66 Cb 0.41 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.14 2k7k h LEU 66 CO 0.00 0.56 -0.69 1.05 0.09 0.00 0.00 178.44 179.45 2k7k h GLU 67 N 0.00 0.00 0.00 1.13 4.11 -1.79 -3.40 114.58 114.63 2k7k h GLU 67 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 2k7k h GLU 67 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 2k7k h GLU 67 CO 0.07 0.69 -0.55 0.25 0.07 0.00 0.00 179.01 179.54 2k7k n THR 68 N -3.29 0.84 -0.99 -1.06 -2.24 -1.21 -4.93 114.28 101.40 2k7k n THR 68 Ca 0.01 0.30 -0.28 0.00 -2.27 0.00 0.00 64.05 61.80 2k7k n THR 68 Cb 0.80 -1.97 0.20 0.00 -2.10 0.00 0.00 70.33 67.27 2k7k n THR 68 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2k7k s ARG 69 N -2.06 -0.11 0.00 -0.78 1.81 0.60 -5.03 118.95 113.38 2k7k s ARG 69 Ca -0.16 0.55 0.00 0.00 -1.72 0.00 0.00 55.73 54.40 2k7k s ARG 69 Cb 0.02 -1.67 0.00 0.00 -0.45 0.00 0.00 34.95 32.85 2k7k s ARG 69 CO 0.24 -3.11 0.00 0.41 -0.68 0.00 0.00 175.30 172.16 2k7k n GLY 70 N -0.54 4.44 3.54 -3.53 0.00 -1.26 -4.61 105.19 103.23 2k7k n GLY 70 Ca 0.04 -1.33 -0.32 0.00 0.00 0.00 0.00 46.02 44.42 2k7k n GLY 70 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2k7k n SER 71 N 0.00 -0.88 0.24 1.61 3.41 -1.26 -4.88 113.62 111.86 2k7k n SER 71 Ca 0.00 0.34 0.16 0.00 -0.26 0.00 0.00 58.87 59.11 2k7k n SER 71 Cb 0.00 -1.34 0.64 0.00 -0.26 0.00 0.00 64.21 63.26 2k7k n SER 71 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2k7k h PRO 72 N -1.79 0.00 -0.91 4.33 0.13 -2.02 -2.81 132.00 128.92 2k7k h PRO 72 Ca -0.44 0.00 -0.49 0.00 -0.87 0.00 0.00 66.00 64.20 2k7k h PRO 72 Cb 1.28 0.00 -0.28 0.00 0.13 0.00 0.00 31.00 32.13 2k7k h PRO 72 CO 0.38 0.00 0.56 1.63 -0.23 0.00 0.00 178.00 180.35 2k7k n LYS 73 N -2.83 2.25 -3.18 0.86 5.02 -1.26 -4.55 118.16 114.46 2k7k n LYS 73 Ca 0.01 -3.07 -0.19 0.00 -2.02 0.00 0.00 58.31 53.03 2k7k n LYS 73 Cb 0.28 -2.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.11 2k7k n LYS 73 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 2k7k n SER 74 N -1.12 1.00 -4.67 4.39 3.41 -1.06 -4.56 113.62 110.99 2k7k n SER 74 Ca 0.57 -3.02 -0.44 0.00 -0.26 0.00 0.00 58.87 55.71 2k7k n SER 74 Cb 1.49 -0.62 -0.04 0.00 -0.26 0.00 0.00 64.21 64.79 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 0.37 2.47 -2.86 7.33 -0.00 -1.26 -4.82 115.22 116.45 2k7k n HIS 75 Ca 0.25 -0.17 -0.43 0.00 0.46 0.00 0.00 57.72 57.82 2k7k n HIS 75 Cb 0.63 -2.73 0.00 0.00 -0.12 0.00 0.00 29.99 27.77 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 5.09 4.64 -0.08 3.57 5.41 -1.26 -2.97 119.36 133.76 2k7k n ILE 76 Ca 0.20 -5.09 0.13 0.00 1.00 0.00 0.00 62.75 58.99 2k7k n ILE 76 Cb 0.36 -2.35 0.51 0.00 -0.71 0.00 0.00 39.64 37.45 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 6.16 0.35 -2.66 4.38 3.58 -0.97 -3.41 116.42 123.84 2k7k h ASP 77 Ca 0.28 0.01 -0.04 0.00 0.42 0.00 0.00 57.03 57.70 2k7k h ASP 77 Cb 0.73 -0.06 -0.24 0.00 1.72 0.00 0.00 39.33 41.47 2k7k h ASP 77 CO 1.34 0.21 -0.23 -0.75 -2.88 0.00 0.00 179.24 176.92 2k7k s LYS 78 N -5.37 0.46 -0.10 0.28 2.47 -1.22 -4.99 119.74 111.28 2k7k s LYS 78 Ca -0.08 1.10 0.01 0.00 -1.56 0.00 0.00 55.97 55.44 2k7k s LYS 78 Cb 0.20 0.33 0.02 0.00 -1.46 0.00 0.00 37.83 36.92 2k7k s LYS 78 CO 0.75 -0.20 -0.10 0.00 0.16 0.00 0.00 175.35 175.96 2k7k s ALA 79 N 2.20 1.36 -0.02 3.13 0.00 -1.26 -2.79 121.76 124.38 2k7k s ALA 79 Ca -0.06 -0.54 -0.20 0.00 0.00 0.00 0.00 51.96 51.17 2k7k s ALA 79 Cb -0.10 -0.81 0.04 0.00 0.00 0.00 0.00 23.12 22.24 2k7k s ALA 79 CO -0.15 -0.24 0.42 1.21 0.00 0.00 0.00 175.76 176.99 2k7k s ASN 80 N 1.35 -0.33 0.36 0.00 3.04 -1.21 -5.04 114.94 113.11 2k7k s ASN 80 Ca -0.01 0.27 0.08 0.00 0.04 0.00 0.00 52.86 53.23 2k7k s ASN 80 Cb -0.14 0.38 -0.03 0.00 -1.54 0.00 0.00 41.25 39.92 2k7k s ASN 80 CO -0.05 -0.50 0.29 0.72 -3.04 0.00 0.00 177.10 174.53 2k7k s PHE 81 N -1.30 2.83 0.19 0.43 -0.12 -1.26 -2.71 117.98 116.03 2k7k s PHE 81 Ca -0.13 -0.36 -0.17 0.00 -0.05 0.00 0.00 56.93 56.22 2k7k s PHE 81 Cb -0.04 -1.86 0.03 0.00 -0.63 0.00 0.00 43.02 40.51 2k7k s PHE 81 CO 0.06 0.14 0.50 1.21 -0.05 0.00 0.00 175.22 177.08 2k7k s ASN 82 N -4.00 -0.24 -1.06 1.98 3.84 -1.09 -4.96 114.94 109.41 2k7k s ASN 82 Ca 0.42 -0.51 -0.02 0.00 0.21 0.00 0.00 52.86 52.97 2k7k s ASN 82 Cb -0.05 0.57 0.00 0.00 -0.55 0.00 0.00 41.25 41.22 2k7k s ASN 82 CO 0.26 -1.04 0.89 -3.20 -2.79 0.00 0.00 177.10 171.23 2k7k n ASN 83 N -0.33 -2.79 -4.61 -4.21 2.85 -1.26 -0.40 115.26 104.51 2k7k n ASN 83 Ca -0.10 -0.52 -0.41 0.00 -0.11 0.00 0.00 54.58 53.44 2k7k n ASN 83 Cb 0.62 -4.47 -0.07 0.00 1.24 0.00 0.00 39.78 37.11 2k7k n ASN 83 CO 0.00 0.00 0.00 -0.70 -2.11 0.00 0.00 177.26 174.45 2k7k s GLU 84 N -5.36 3.98 0.06 1.20 2.12 -1.25 -3.53 118.70 115.93 2k7k s GLU 84 Ca 0.10 0.39 -0.27 0.00 0.36 0.00 0.00 54.97 55.54 2k7k s GLU 84 Cb -0.04 -3.70 0.09 0.00 0.26 0.00 0.00 34.13 30.73 2k7k s GLU 84 CO 0.63 -0.50 0.96 -1.59 -0.54 0.00 0.00 175.26 174.21 2k7k s LYS 85 N 2.56 0.96 0.12 4.30 -2.85 -0.89 -5.01 119.74 118.93 2k7k s LYS 85 Ca 0.25 -0.46 -0.06 0.00 -1.00 0.00 0.00 55.97 54.70 2k7k s LYS 85 Cb -0.15 0.37 -0.06 0.00 -2.06 0.00 0.00 37.83 35.93 2k7k s LYS 85 CO 0.10 -0.43 0.38 0.14 0.10 0.00 0.00 175.35 175.64 2k7k s VAL 86 N -3.14 5.15 0.29 1.79 -7.23 -1.26 -0.69 120.40 115.32 2k7k s VAL 86 Ca 0.09 0.14 -0.00 0.00 -1.81 0.00 0.00 61.98 60.40 2k7k s VAL 86 Cb -0.01 -3.62 -0.02 0.00 0.56 0.00 0.00 36.38 33.29 2k7k s VAL 86 CO -0.03 0.11 0.33 0.27 -0.31 0.00 0.00 175.10 175.47 2k7k s ILE 87 N -1.59 0.00 0.14 -0.62 -5.25 -1.13 -4.92 121.20 107.83 2k7k s ILE 87 Ca 0.39 -1.80 -0.25 0.00 -0.99 0.00 0.00 60.65 58.00 2k7k s ILE 87 Cb -0.12 -2.51 -0.02 0.00 2.95 0.00 0.00 42.46 42.76 2k7k s ILE 87 CO 0.23 0.00 1.63 -0.07 -1.79 0.00 0.00 174.94 174.93 2k7k h LEU 88 N 2.26 -0.83 0.00 0.37 3.38 -1.99 -3.42 115.31 115.07 2k7k h LEU 88 Ca -0.29 0.13 0.28 0.00 0.09 0.00 0.00 57.88 58.09 2k7k h LEU 88 Cb 1.24 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 42.30 2k7k h LEU 88 CO 0.41 -0.32 0.73 2.29 0.09 0.00 0.00 178.44 181.64 2k7k n LYS 89 N -5.38 0.12 -0.65 1.13 2.85 -1.26 -4.80 118.16 110.17 2k7k n LYS 89 Ca -0.03 -0.58 -0.31 0.00 -1.05 0.00 0.00 58.31 56.34 2k7k n LYS 89 Cb 0.30 0.98 0.18 0.00 -0.65 0.00 0.00 35.03 35.84 2k7k n LYS 89 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 2k7k s LEU 90 N 0.00 2.54 -0.14 -5.58 1.43 -1.26 -4.96 118.68 110.70 2k7k s LEU 90 Ca 0.24 2.12 0.14 0.00 -1.03 0.00 0.00 54.13 55.60 2k7k s LEU 90 Cb -0.01 -4.41 0.35 0.00 0.03 0.00 0.00 46.19 42.16 2k7k s LEU 90 CO -0.01 -3.32 1.18 -0.90 0.23 0.00 0.00 176.35 173.53 2k7k n ASP 91 N -4.37 1.68 -3.33 2.29 5.75 -1.26 -5.05 116.55 112.25 2k7k n ASP 91 Ca 0.11 -3.29 -0.20 0.00 -0.01 0.00 0.00 54.79 51.39 2k7k n ASP 91 Cb 0.52 -0.45 -0.08 0.00 -1.03 0.00 0.00 41.12 40.08 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -0.11 0.00 0.00 177.20 176.78 2k7k s TYR 92 N -2.48 1.80 -0.11 2.11 2.02 -1.26 -5.08 117.35 114.35 2k7k s TYR 92 Ca 0.33 -1.67 0.06 0.00 -0.37 0.00 0.00 57.07 55.42 2k7k s TYR 92 Cb 0.32 -0.74 -0.11 0.00 -0.40 0.00 0.00 41.96 41.03 2k7k s TYR 92 CO -0.05 -0.87 -0.02 0.43 -1.57 0.00 0.00 175.55 173.48 2k7k n SER 93 N -1.62 2.75 -3.49 2.29 7.64 -1.26 -5.06 113.62 114.87 2k7k n SER 93 Ca 0.07 -0.02 -0.02 0.00 1.01 0.00 0.00 58.87 59.91 2k7k n SER 93 Cb 0.62 0.41 0.01 0.00 -1.01 0.00 0.00 64.21 64.24 2k7k n SER 93 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2k7k s ASP 94 N -4.56 -0.01 0.48 6.43 2.15 -1.26 -5.01 116.67 114.89 2k7k s ASP 94 Ca -0.09 -0.54 -0.06 0.00 0.43 0.00 0.00 52.55 52.29 2k7k s ASP 94 Cb 0.03 0.42 -0.04 0.00 -0.30 0.00 0.00 42.92 43.04 2k7k s ASP 94 CO 0.36 -0.83 0.79 0.72 -0.17 0.00 0.00 175.17 176.04 2k7k s PHE 95 N -2.25 3.56 0.03 -5.34 -0.12 -1.26 -3.71 117.98 108.90 2k7k s PHE 95 Ca 0.22 0.83 -0.27 0.00 -0.05 0.00 0.00 56.93 57.66 2k7k s PHE 95 Cb -0.02 -2.32 0.09 0.00 -0.63 0.00 0.00 43.02 40.15 2k7k s PHE 95 CO 0.04 -0.27 0.81 1.14 -0.05 0.00 0.00 175.22 176.88 2k7k s GLN 96 N -4.70 0.94 -0.17 1.99 -2.07 -1.22 -4.94 119.66 109.50 2k7k s GLN 96 Ca 0.48 -0.31 -0.08 0.00 -1.82 0.00 0.00 55.36 53.63 2k7k s GLN 96 Cb -0.10 0.43 -0.04 0.00 -1.09 0.00 0.00 33.01 32.21 2k7k s GLN 96 CO 0.44 -0.40 0.10 0.42 -1.32 0.00 0.00 175.29 174.53 2k7k s ILE 97 N -3.15 5.12 -0.18 3.63 1.01 -1.26 -2.75 121.20 123.62 2k7k s ILE 97 Ca 0.03 0.08 0.00 0.00 0.00 0.00 0.00 60.65 60.76 2k7k s ILE 97 Cb -0.01 -3.29 0.01 0.00 0.01 0.00 0.00 42.46 39.18 2k7k s ILE 97 CO -0.09 0.50 -0.17 -0.69 0.00 0.00 0.00 174.94 174.48 2k7k s VAL 98 N -0.03 2.31 -2.81 2.92 1.01 0.67 -4.89 120.40 119.59 2k7k s VAL 98 Ca 0.08 -0.86 0.26 0.00 0.00 0.00 0.00 61.98 61.46 2k7k s VAL 98 Cb -0.12 -1.98 0.33 0.00 0.00 0.00 0.00 36.38 34.61 2k7k s VAL 98 CO 0.00 0.52 1.45 1.17 0.00 0.00 0.00 175.10 178.24