#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 -0.70 -0.07 4.61 0.00 -1.26 -5.08 121.76 119.26 2k7k s ALA 2 Ca 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 51.96 51.67 2k7k s ALA 2 Cb 0.00 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2k7k s ALA 2 CO 0.00 -0.63 -0.08 0.39 0.00 0.00 0.00 175.76 175.44 2k7k n GLU 3 N -0.20 0.14 0.00 0.00 -0.58 -1.26 -5.06 120.64 113.69 2k7k n GLU 3 Ca -0.15 0.06 0.00 0.00 -0.42 0.00 0.00 57.16 56.65 2k7k n GLU 3 Cb 0.63 -0.80 0.00 0.00 -0.57 0.00 0.00 31.44 30.70 2k7k n GLU 3 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2k7k n GLY 4 N 2.67 1.18 3.01 0.62 0.00 -1.26 -5.06 105.19 106.35 2k7k n GLY 4 Ca -0.13 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.57 2k7k n GLY 4 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2k7k s ASN 5 N 0.00 5.20 -1.32 1.61 2.20 -1.26 -5.01 114.94 116.37 2k7k s ASN 5 Ca 0.00 -3.51 -0.17 0.00 -0.94 0.00 0.00 52.86 48.24 2k7k s ASN 5 Cb 0.00 -1.77 0.07 0.00 -2.00 0.00 0.00 41.25 37.56 2k7k s ASN 5 CO 0.00 -0.19 1.79 0.41 -2.94 0.00 0.00 177.10 176.17 2k7k n THR 6 N 2.53 3.90 -1.61 0.54 -1.04 -1.26 -4.97 114.28 112.36 2k7k n THR 6 Ca 0.16 -4.00 -0.40 0.00 -2.04 0.00 0.00 64.05 57.77 2k7k n THR 6 Cb 0.36 -2.39 0.02 0.00 -1.82 0.00 0.00 70.33 66.50 2k7k n THR 6 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 2k7k n LEU 7 N 7.94 2.90 -4.23 -4.42 4.77 -1.26 -3.98 117.00 118.72 2k7k n LEU 7 Ca 0.49 0.96 -0.15 0.00 -0.03 0.00 0.00 56.01 57.28 2k7k n LEU 7 Cb 0.45 -1.36 -0.10 0.00 -2.33 0.00 0.00 43.42 40.07 2k7k n LEU 7 CO 0.78 -1.60 -0.42 0.27 -1.33 0.00 0.00 177.39 175.09 2k7k s ILE 8 N -1.36 1.15 -0.06 -0.08 -4.36 -0.20 -2.50 121.20 113.79 2k7k s ILE 8 Ca 0.66 -1.91 0.00 0.00 -0.26 0.00 0.00 60.65 59.15 2k7k s ILE 8 Cb -0.51 -1.69 0.02 0.00 1.25 0.00 0.00 42.46 41.54 2k7k s ILE 8 CO 0.54 -0.65 -0.04 -0.94 0.24 0.00 0.00 174.94 174.09 2k7k s SER 9 N -2.89 1.24 -0.02 4.36 1.04 -0.78 -2.78 113.70 113.87 2k7k s SER 9 Ca 0.13 -0.14 -0.18 0.00 0.48 0.00 0.00 55.95 56.24 2k7k s SER 9 Cb 0.00 -0.50 0.03 0.00 0.10 0.00 0.00 66.02 65.65 2k7k s SER 9 CO 0.01 -0.08 0.38 0.54 0.98 0.00 0.00 173.24 175.07 2k7k s VAL 10 N 1.19 0.05 0.55 5.02 0.11 -1.17 -3.22 120.40 122.92 2k7k s VAL 10 Ca -0.07 -0.38 0.08 0.00 -2.93 0.00 0.00 61.98 58.68 2k7k s VAL 10 Cb -0.14 -0.69 0.06 0.00 -1.53 0.00 0.00 36.38 34.08 2k7k s VAL 10 CO -0.02 -0.21 0.61 -1.81 -3.33 0.00 0.00 175.10 170.34 2k7k s ASP 11 N -1.31 4.94 -0.12 3.54 1.11 -1.26 -2.66 116.67 120.90 2k7k s ASP 11 Ca -0.13 -0.98 -0.33 0.00 0.18 0.00 0.00 52.55 51.29 2k7k s ASP 11 Cb -0.04 0.25 0.13 0.00 1.07 0.00 0.00 42.92 44.33 2k7k s ASP 11 CO 0.05 -1.19 1.18 -0.72 1.18 0.00 0.00 175.17 175.68 2k7k s TYR 12 N -2.68 -0.13 0.13 4.23 1.13 -0.96 -1.57 117.35 117.49 2k7k s TYR 12 Ca 0.50 0.05 -0.06 0.00 -1.41 0.00 0.00 57.07 56.16 2k7k s TYR 12 Cb -0.04 0.53 -0.02 0.00 -1.10 0.00 0.00 41.96 41.32 2k7k s TYR 12 CO 0.31 -0.28 0.17 -1.83 -2.51 0.00 0.00 175.55 171.42 2k7k s GLU 13 N -2.52 0.99 0.05 -3.49 1.03 -1.18 -0.60 118.70 112.98 2k7k s GLU 13 Ca 0.10 -1.24 0.03 0.00 0.03 0.00 0.00 54.97 53.89 2k7k s GLU 13 Cb 0.00 0.31 -0.03 0.00 -0.80 0.00 0.00 34.13 33.62 2k7k s GLU 13 CO -0.05 -0.32 -0.09 0.42 -1.33 0.00 0.00 175.26 173.89 2k7k s ILE 14 N -3.98 0.62 0.16 1.83 -1.09 -1.21 -3.43 121.20 114.10 2k7k s ILE 14 Ca 0.17 -1.13 0.06 0.00 -2.23 0.00 0.00 60.65 57.52 2k7k s ILE 14 Cb 0.05 -0.70 -0.04 0.00 -1.58 0.00 0.00 42.46 40.19 2k7k s ILE 14 CO -0.02 -0.38 -0.14 0.12 -1.23 0.00 0.00 174.94 173.30 2k7k s PHE 15 N -1.43 1.51 0.00 3.97 5.36 -1.20 -2.42 117.98 123.78 2k7k s PHE 15 Ca -0.08 -0.60 0.00 0.00 -0.96 0.00 0.00 56.93 55.28 2k7k s PHE 15 Cb -0.10 -0.75 0.00 0.00 -0.34 0.00 0.00 43.02 41.84 2k7k s PHE 15 CO 0.01 0.22 0.00 0.41 -1.46 0.00 0.00 175.22 174.40 2k7k n GLY 16 N 0.00 0.40 0.33 13.12 0.00 -1.26 -2.03 105.19 115.75 2k7k n GLY 16 Ca -0.11 -1.72 0.18 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.63 1.61 1.63 -1.92 -1.17 116.57 116.09 2k7k h LYS 17 Ca 0.00 0.00 0.18 0.00 -0.85 0.00 0.00 60.65 59.98 2k7k h LYS 17 Cb 0.00 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 31.60 2k7k h LYS 17 CO 0.00 0.00 0.50 -0.39 -3.45 0.00 0.00 179.45 176.11 2k7k h VAL 18 N 0.00 0.56 -0.21 2.00 -1.51 -1.80 0.24 116.25 115.53 2k7k h VAL 18 Ca 0.06 0.00 -0.09 0.00 -1.23 0.00 0.00 66.70 65.43 2k7k h VAL 18 Cb 0.41 0.64 -0.01 0.00 -2.13 0.00 0.00 31.29 30.20 2k7k h VAL 18 CO -0.00 0.00 -0.28 0.06 -1.23 0.00 0.00 177.57 176.12 2k7k h GLN 19 N 0.00 0.41 -2.32 5.19 3.07 -1.44 -3.28 115.11 116.75 2k7k h GLN 19 Ca 0.30 -0.16 -0.65 0.00 0.09 0.00 0.00 58.65 58.23 2k7k h GLN 19 Cb 1.29 -0.02 -0.38 0.00 0.08 0.00 0.00 27.48 28.45 2k7k h GLN 19 CO -0.00 0.66 -0.19 0.41 0.09 0.00 0.00 178.83 179.79 2k7k n GLY 20 N -0.37 5.48 3.59 0.06 0.00 0.84 -5.00 105.19 109.78 2k7k n GLY 20 Ca -0.01 -2.74 -0.07 0.00 0.00 0.00 0.00 46.02 43.20 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 -3.81 0.00 -0.56 1.61 0.11 -1.21 -5.00 120.40 111.54 2k7k s VAL 21 Ca 0.43 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 59.49 2k7k s VAL 21 Cb 0.21 -1.00 0.56 0.00 -1.53 0.00 0.00 36.38 34.62 2k7k s VAL 21 CO -0.08 0.00 1.98 2.22 -3.33 0.00 0.00 175.10 175.89 2k7k n PHE 22 N 0.46 3.16 -0.14 1.54 1.16 -1.26 -4.63 117.46 117.76 2k7k n PHE 22 Ca -0.06 -2.45 0.26 0.00 -1.87 0.00 0.00 57.45 53.34 2k7k n PHE 22 Cb 0.59 -1.21 0.71 0.00 -1.61 0.00 0.00 39.48 37.96 2k7k n PHE 22 CO 0.00 0.00 0.00 0.27 -1.87 0.00 0.00 176.76 175.16 2k7k h PHE 23 N 1.51 0.01 -1.00 2.97 -0.00 -1.89 0.15 116.94 118.69 2k7k h PHE 23 Ca 0.62 0.00 0.18 0.00 -0.00 0.00 0.00 57.97 58.77 2k7k h PHE 23 Cb 1.83 -0.00 -0.10 0.00 -0.00 0.00 0.00 35.95 37.68 2k7k h PHE 23 CO 1.52 0.00 0.62 0.07 -0.00 0.00 0.00 178.31 180.52 2k7k h ARG 24 N 0.01 0.76 -0.60 6.09 0.11 -1.96 0.28 114.38 119.07 2k7k h ARG 24 Ca 0.39 -0.05 0.17 0.00 0.10 0.00 0.00 59.98 60.59 2k7k h ARG 24 Cb 1.54 -0.17 -0.02 0.00 1.11 0.00 0.00 29.97 32.42 2k7k h ARG 24 CO -0.01 0.50 0.47 -0.22 0.10 0.00 0.00 179.97 180.82 2k7k h LYS 25 N 0.78 0.00 0.00 0.08 3.64 -1.35 0.62 116.57 120.35 2k7k h LYS 25 Ca 0.56 0.00 -0.22 0.00 -1.27 0.00 0.00 60.65 59.72 2k7k h LYS 25 Cb 0.84 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 32.62 2k7k h LYS 25 CO -0.35 0.00 -1.91 0.72 -2.27 0.00 0.00 179.45 175.64 2k7k n HIS 26 N -4.14 0.42 -0.25 1.91 8.25 0.84 -4.31 115.22 117.94 2k7k n HIS 26 Ca 0.11 0.14 -0.02 0.00 -0.26 0.00 0.00 57.72 57.70 2k7k n HIS 26 Cb 0.71 -0.94 0.10 0.00 1.12 0.00 0.00 29.99 30.97 2k7k n HIS 26 CO 0.00 0.00 0.00 1.15 0.64 0.00 0.00 176.34 178.13 2k7k h THR 27 N 0.00 1.03 -0.04 1.59 2.02 0.54 -0.87 112.91 117.18 2k7k h THR 27 Ca -0.28 -0.28 -0.03 0.00 0.77 0.00 0.00 66.41 66.60 2k7k h THR 27 Cb 1.74 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 68.30 2k7k h THR 27 CO 0.03 0.15 -0.09 -0.61 0.37 0.00 0.00 175.52 175.37 2k7k h GLN 28 N 0.81 0.06 -0.05 6.66 4.15 -1.65 -2.55 115.11 122.54 2k7k h GLN 28 Ca 0.30 -0.01 -0.23 0.00 0.77 0.00 0.00 58.65 59.49 2k7k h GLN 28 Cb 0.11 -0.01 0.02 0.00 0.21 0.00 0.00 27.48 27.81 2k7k h GLN 28 CO -0.15 0.16 -0.86 0.00 -1.93 0.00 0.00 178.83 176.05 2k7k h ALA 29 N 1.85 0.17 -0.24 3.38 0.00 -1.40 -3.15 119.26 119.86 2k7k h ALA 29 Ca 0.01 -0.64 0.07 0.00 0.00 0.00 0.00 54.91 54.36 2k7k h ALA 29 Cb 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2k7k h ALA 29 CO 0.01 0.60 0.26 0.93 0.00 0.00 0.00 179.25 181.06 2k7k h GLU 30 N 0.32 0.00 -0.47 0.00 5.08 -0.80 -1.75 114.58 116.96 2k7k h GLU 30 Ca -0.09 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.29 2k7k h GLU 30 Cb 1.52 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.73 2k7k h GLU 30 CO 0.17 0.00 0.28 0.78 -1.00 0.00 0.00 179.01 179.24 2k7k h GLY 31 N 0.00 0.66 0.78 -3.84 0.00 -1.49 -1.58 103.07 97.60 2k7k h GLY 31 Ca 0.11 -0.21 0.16 0.00 0.00 0.00 0.00 47.33 47.40 2k7k h GLY 31 CO -0.00 0.17 0.45 0.07 0.00 0.00 0.00 176.54 177.24 2k7k h LYS 32 N 0.55 0.00 0.07 4.80 2.10 -1.48 0.25 116.57 122.86 2k7k h LYS 32 Ca 0.19 0.00 -0.00 0.00 -2.00 0.00 0.00 60.65 58.84 2k7k h LYS 32 Cb 0.02 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.34 2k7k h LYS 32 CO -0.09 0.00 -0.11 -0.22 -2.00 0.00 0.00 179.45 177.03 2k7k h LYS 33 N 0.00 -0.18 -0.01 0.07 3.64 -1.40 -3.15 116.57 115.55 2k7k h LYS 33 Ca 0.26 0.01 -0.19 0.00 -1.27 0.00 0.00 60.65 59.46 2k7k h LYS 33 Cb 1.17 0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2k7k h LYS 33 CO -0.00 -0.12 -0.84 -0.07 -2.27 0.00 0.00 179.45 176.14 2k7k h LEU 34 N -0.19 0.24 -0.91 5.20 -0.00 -1.60 -3.48 115.31 114.57 2k7k h LEU 34 Ca -0.01 -0.19 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2k7k h LEU 34 Cb 0.17 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.76 2k7k h LEU 34 CO -0.03 0.98 0.00 0.61 -0.00 0.00 0.00 178.44 179.99 2k7k n GLY 35 N 0.80 0.79 1.90 0.83 0.00 0.84 -5.07 105.19 105.27 2k7k n GLY 35 Ca -0.03 -0.64 -0.14 0.00 0.00 0.00 0.00 46.02 45.21 2k7k n GLY 35 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 2k7k n LEU 36 N -0.41 0.00 0.00 0.99 -0.00 -1.17 -5.01 117.00 111.39 2k7k n LEU 36 Ca 0.00 -1.77 -0.13 0.00 -0.00 0.00 0.00 56.01 54.11 2k7k n LEU 36 Cb 0.15 0.62 -0.04 0.00 -0.00 0.00 0.00 43.42 44.15 2k7k n LEU 36 CO 0.00 -0.28 -0.08 1.33 -0.00 0.00 0.00 177.39 178.36 2k7k n VAL 37 N -0.51 0.00 0.00 1.47 0.24 -1.23 -4.60 118.33 113.70 2k7k n VAL 37 Ca -0.03 -1.17 0.00 0.00 -2.04 0.00 0.00 64.34 61.10 2k7k n VAL 37 Cb 0.35 0.41 0.00 0.00 -1.47 0.00 0.00 33.84 33.13 2k7k n VAL 37 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2k7k n GLY 38 N 0.84 0.89 3.61 7.63 0.00 -1.24 -2.90 105.19 114.01 2k7k n GLY 38 Ca -0.03 -1.96 -0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.19 0.36 0.01 1.61 -2.14 -1.12 -3.24 118.94 112.23 2k7k s TRP 39 Ca 0.00 -0.73 0.02 0.00 2.66 0.00 0.00 56.10 58.05 2k7k s TRP 39 Cb 0.00 0.22 -0.01 0.00 -3.10 0.00 0.00 33.47 30.58 2k7k s TRP 39 CO 0.00 -1.04 -0.07 0.08 -2.66 0.00 0.00 176.95 173.27 2k7k s VAL 40 N -3.90 0.52 0.28 -0.66 1.01 -1.25 -1.24 120.40 115.16 2k7k s VAL 40 Ca 0.22 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.72 2k7k s VAL 40 Cb -0.01 -0.48 -0.03 0.00 0.00 0.00 0.00 36.38 35.86 2k7k s VAL 40 CO 0.10 0.00 0.27 -1.10 0.00 0.00 0.00 175.10 174.37 2k7k s GLN 41 N -0.54 1.56 0.19 2.72 -1.52 0.29 -2.81 119.66 119.55 2k7k s GLN 41 Ca -0.01 -1.77 0.01 0.00 -1.95 0.00 0.00 55.36 51.65 2k7k s GLN 41 Cb -0.04 0.34 -0.05 0.00 -0.22 0.00 0.00 33.01 33.04 2k7k s GLN 41 CO 0.00 -0.58 0.02 0.54 -0.25 0.00 0.00 175.29 175.03 2k7k s ASN 42 N -3.24 1.15 0.04 5.90 4.22 -1.26 -2.26 114.94 119.49 2k7k s ASN 42 Ca 0.37 -1.22 -0.01 0.00 -2.14 0.00 0.00 52.86 49.86 2k7k s ASN 42 Cb 0.03 0.14 -0.03 0.00 1.28 0.00 0.00 41.25 42.67 2k7k s ASN 42 CO 0.19 -0.61 -0.03 0.28 -2.04 0.00 0.00 177.10 174.89 2k7k s THR 43 N -3.70 0.19 -0.18 0.54 -1.32 -1.13 -4.84 115.64 105.19 2k7k s THR 43 Ca 0.27 -1.53 0.29 0.00 -1.21 0.00 0.00 61.69 59.51 2k7k s THR 43 Cb 0.06 -1.13 0.32 0.00 -1.51 0.00 0.00 72.50 70.25 2k7k s THR 43 CO 0.06 -0.84 1.86 0.44 -2.21 0.00 0.00 174.62 173.92 2k7k h ASP 44 N 3.62 0.00 -0.07 8.08 3.32 -2.03 -2.87 116.42 126.48 2k7k h ASP 44 Ca -0.33 0.00 0.02 0.00 0.02 0.00 0.00 57.03 56.74 2k7k h ASP 44 Cb 1.16 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.71 2k7k h ASP 44 CO 0.58 0.00 0.07 0.03 -1.72 0.00 0.00 179.24 178.20 2k7k h ARG 45 N 0.00 0.00 0.00 3.56 3.08 -2.05 -3.45 114.38 115.53 2k7k h ARG 45 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.05 2k7k h ARG 45 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.50 2k7k h ARG 45 CO 0.00 0.00 0.00 0.41 -1.07 0.00 0.00 179.97 179.31 2k7k n GLY 46 N -1.38 1.44 3.53 0.04 0.00 -1.08 -5.12 105.19 102.63 2k7k n GLY 46 Ca -0.01 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.71 2k7k n GLY 46 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2k7k n THR 47 N -1.08 0.00 -3.71 2.61 -2.24 -1.25 -4.49 114.28 104.11 2k7k n THR 47 Ca 0.00 -2.40 -0.30 0.00 -2.27 0.00 0.00 64.05 59.08 2k7k n THR 47 Cb 0.00 0.65 -0.14 0.00 -2.10 0.00 0.00 70.33 68.74 2k7k n THR 47 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2k7k s VAL 48 N -2.95 1.01 -0.19 2.28 1.01 -1.02 -2.84 120.40 117.71 2k7k s VAL 48 Ca 0.09 -1.84 -0.29 0.00 0.00 0.00 0.00 61.98 59.94 2k7k s VAL 48 Cb 0.00 -1.74 -0.01 0.00 0.00 0.00 0.00 36.38 34.63 2k7k s VAL 48 CO 0.06 -0.78 1.26 -1.10 0.00 0.00 0.00 175.10 174.54 2k7k s GLN 49 N 1.12 4.19 -0.03 2.72 -0.21 -0.96 -3.30 119.66 123.19 2k7k s GLN 49 Ca 0.13 1.59 0.03 0.00 0.02 0.00 0.00 55.36 57.14 2k7k s GLN 49 Cb -0.20 -3.78 -0.00 0.00 1.00 0.00 0.00 33.01 30.03 2k7k s GLN 49 CO -0.14 -0.76 -0.13 0.20 -2.12 0.00 0.00 175.29 172.34 2k7k s GLY 50 N 2.06 0.73 -0.09 3.09 0.00 0.24 -0.55 107.32 112.80 2k7k s GLY 50 Ca 0.54 -0.52 -0.09 0.00 0.00 0.00 0.00 44.72 44.65 2k7k s GLY 50 CO 0.15 -0.23 0.22 1.62 0.00 0.00 0.00 173.10 174.87 2k7k s GLN 51 N 0.11 3.63 -0.07 2.90 2.00 -0.37 -2.27 119.66 125.58 2k7k s GLN 51 Ca -0.03 0.03 0.00 0.00 -2.00 0.00 0.00 55.36 53.36 2k7k s GLN 51 Cb -0.10 -3.21 0.02 0.00 0.80 0.00 0.00 33.01 30.52 2k7k s GLN 51 CO 0.01 0.72 -0.06 -1.17 -0.50 0.00 0.00 175.29 174.30 2k7k s LEU 52 N -0.94 1.21 0.15 3.68 2.96 -1.09 -2.81 118.68 121.84 2k7k s LEU 52 Ca 0.17 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.98 2k7k s LEU 52 Cb -0.13 -0.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.91 2k7k s LEU 52 CO 0.06 -0.08 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.71 2k7k s GLN 53 N 1.25 1.27 0.00 1.98 -0.21 -1.14 -3.06 119.66 119.75 2k7k s GLN 53 Ca -0.05 -1.35 0.00 0.00 0.02 0.00 0.00 55.36 53.98 2k7k s GLN 53 Cb -0.14 -1.45 0.00 0.00 1.00 0.00 0.00 33.01 32.42 2k7k s GLN 53 CO -0.02 0.31 0.00 0.41 -2.12 0.00 0.00 175.29 173.87 2k7k n GLY 54 N 0.55 -0.46 3.77 3.09 0.00 -1.12 -3.50 105.19 107.52 2k7k n GLY 54 Ca -0.15 -1.68 -0.38 0.00 0.00 0.00 0.00 46.02 43.81 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 -1.55 3.91 0.59 1.61 0.04 -1.26 -1.03 135.00 137.31 2k7k s PRO 55 Ca 0.00 1.83 0.29 0.00 0.04 0.00 0.00 61.00 63.16 2k7k s PRO 55 Cb 0.00 -2.56 1.63 0.00 0.04 0.00 0.00 34.50 33.61 2k7k s PRO 55 CO 0.00 -0.44 2.05 0.97 0.04 0.00 0.00 177.00 179.62 2k7k h ILE 56 N 2.12 0.42 0.00 0.56 2.10 -1.91 0.29 117.51 121.09 2k7k h ILE 56 Ca -0.49 0.00 -0.06 0.00 1.08 0.00 0.00 64.86 65.39 2k7k h ILE 56 Cb 1.24 0.79 -0.01 0.00 -1.09 0.00 0.00 36.82 37.75 2k7k h ILE 56 CO 0.61 0.00 -0.29 -1.28 -1.08 0.00 0.00 178.15 176.11 2k7k h SER 57 N 0.00 0.00 0.00 2.19 0.87 -1.92 0.20 113.55 114.89 2k7k h SER 57 Ca 0.11 0.00 -0.21 0.00 -1.23 0.00 0.00 61.79 60.46 2k7k h SER 57 Cb 0.63 0.00 -0.04 0.00 -0.44 0.00 0.00 62.40 62.56 2k7k h SER 57 CO -0.00 0.29 -2.17 0.29 -0.53 0.00 0.00 176.83 174.71 2k7k n LYS 58 N -3.63 0.76 0.12 2.24 4.76 0.75 -4.22 118.16 118.93 2k7k n LYS 58 Ca -0.01 -0.08 0.01 0.00 -2.87 0.00 0.00 58.31 55.36 2k7k n LYS 58 Cb 0.42 -1.50 -0.00 0.00 -1.84 0.00 0.00 35.03 32.11 2k7k n LYS 58 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2k7k h VAL 59 N 0.00 0.88 0.00 -0.18 2.07 -0.74 -2.41 116.25 115.86 2k7k h VAL 59 Ca -0.31 -2.28 -0.08 0.00 0.82 0.00 0.00 66.70 64.85 2k7k h VAL 59 Cb 1.69 2.40 -0.01 0.00 -1.52 0.00 0.00 31.29 33.85 2k7k h VAL 59 CO 0.02 0.50 -0.38 0.03 0.02 0.00 0.00 177.57 177.76 2k7k h ARG 60 N 0.00 0.00 0.10 1.57 2.47 -1.15 -2.37 114.38 115.00 2k7k h ARG 60 Ca -0.03 0.00 -0.36 0.00 -1.26 0.00 0.00 59.98 58.33 2k7k h ARG 60 Cb 1.44 0.00 -0.03 0.00 -1.65 0.00 0.00 29.97 29.74 2k7k h ARG 60 CO 0.07 0.38 -2.02 1.58 0.56 0.00 0.00 179.97 180.54 2k7k n HIS 61 N -3.40 1.11 -0.21 3.04 -0.00 -1.22 -4.15 115.22 110.38 2k7k n HIS 61 Ca 0.01 0.25 -0.08 0.00 0.46 0.00 0.00 57.72 58.35 2k7k n HIS 61 Cb 0.57 -1.15 0.03 0.00 -0.12 0.00 0.00 29.99 29.31 2k7k n HIS 61 CO 0.00 0.00 0.00 0.52 0.46 0.00 0.00 176.34 177.32 2k7k h MET 62 N 0.06 0.97 -0.79 1.57 2.86 -1.48 -2.65 114.93 115.47 2k7k h MET 62 Ca -0.43 -0.25 0.16 0.00 -2.06 0.00 0.00 59.70 57.13 2k7k h MET 62 Cb 2.02 -0.12 -0.05 0.00 0.06 0.00 0.00 31.60 33.51 2k7k h MET 62 CO 0.07 0.90 0.53 -0.56 1.06 0.00 0.00 176.91 178.91 2k7k h GLN 63 N 0.88 0.39 -0.98 1.72 3.07 -1.60 0.26 115.11 118.85 2k7k h GLN 63 Ca 0.19 -0.02 -0.39 0.00 0.09 0.00 0.00 58.65 58.51 2k7k h GLN 63 Cb 0.38 -0.09 -0.23 0.00 0.08 0.00 0.00 27.48 27.62 2k7k h GLN 63 CO 0.01 0.26 0.49 0.39 0.09 0.00 0.00 178.83 180.07 2k7k n GLU 64 N -4.48 2.14 0.00 0.06 1.02 -1.00 -3.87 120.64 114.51 2k7k n GLU 64 Ca 0.16 -2.42 0.00 0.00 -0.02 0.00 0.00 57.16 54.88 2k7k n GLU 64 Cb 0.58 -1.96 0.00 0.00 -0.02 0.00 0.00 31.44 30.05 2k7k n GLU 64 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 2k7k n TRP 65 N -0.74 0.00 1.57 -0.32 -0.00 0.82 -4.63 117.44 114.15 2k7k n TRP 65 Ca 0.46 0.00 0.15 0.00 -0.00 0.00 0.00 57.50 58.11 2k7k n TRP 65 Cb 1.42 0.09 0.75 0.00 -0.00 0.00 0.00 31.31 33.57 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 -2.06 0.23 -0.00 5.87 4.32 -0.62 -0.01 117.00 124.73 2k7k n LEU 66 Ca 0.00 0.08 0.06 0.00 -0.02 0.00 0.00 56.01 56.14 2k7k n LEU 66 Cb 0.16 -0.16 -0.09 0.00 -1.62 0.00 0.00 43.42 41.71 2k7k n LEU 66 CO 0.00 0.04 -0.49 -1.84 -1.22 0.00 0.00 177.39 173.88 2k7k n GLU 67 N -1.03 1.05 -0.03 3.23 0.28 -1.25 -4.44 120.64 118.45 2k7k n GLU 67 Ca 0.17 -0.09 -0.05 0.00 -0.16 0.00 0.00 57.16 57.04 2k7k n GLU 67 Cb 0.22 -1.25 -0.02 0.00 1.43 0.00 0.00 31.44 31.82 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 -1.77 0.31 0.00 3.84 5.66 -1.20 -4.90 114.28 116.22 2k7k n THR 68 Ca -0.01 -0.10 0.00 0.00 -3.05 0.00 0.00 64.05 60.89 2k7k n THR 68 Cb 0.30 -1.09 0.00 0.00 -1.55 0.00 0.00 70.33 67.99 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 -2.93 0.00 -1.47 1.09 3.00 0.90 -5.04 116.66 112.21 2k7k n ARG 69 Ca -0.10 0.04 0.19 0.00 -0.00 0.00 0.00 57.85 57.98 2k7k n ARG 69 Cb 0.59 -0.34 -0.07 0.00 0.00 0.00 0.00 32.46 32.65 2k7k n ARG 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2k7k n GLY 70 N 2.05 -2.66 3.68 5.14 0.00 0.99 -4.83 105.19 109.55 2k7k n GLY 70 Ca 0.00 -1.08 -0.31 0.00 0.00 0.00 0.00 46.02 44.63 2k7k n GLY 70 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2k7k s SER 71 N -7.28 3.02 0.54 1.61 0.01 -1.26 -4.97 113.70 105.36 2k7k s SER 71 Ca 0.00 2.09 -0.20 0.00 1.31 0.00 0.00 55.95 59.15 2k7k s SER 71 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.63 2k7k s SER 71 CO 0.00 -3.02 1.13 -2.16 0.41 0.00 0.00 173.24 169.60 2k7k s PRO 72 N -4.68 3.40 -1.71 12.44 0.04 -1.26 -3.19 135.00 140.03 2k7k s PRO 72 Ca 0.66 1.62 0.00 0.00 0.04 0.00 0.00 61.00 63.32 2k7k s PRO 72 Cb -0.22 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.28 2k7k s PRO 72 CO 0.58 -0.82 0.00 1.63 0.04 0.00 0.00 177.00 178.43 2k7k n LYS 73 N -1.23 -1.38 -3.38 4.56 5.02 -1.26 -4.78 118.16 115.71 2k7k n LYS 73 Ca 0.11 0.99 -0.26 0.00 -2.02 0.00 0.00 58.31 57.13 2k7k n LYS 73 Cb 0.51 -5.41 -0.09 0.00 -0.02 0.00 0.00 35.03 30.02 2k7k n LYS 73 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2k7k n SER 74 N -1.27 1.34 -4.74 4.39 2.88 -1.19 -4.65 113.62 110.37 2k7k n SER 74 Ca -0.20 -2.89 -0.42 0.00 -1.33 0.00 0.00 58.87 54.03 2k7k n SER 74 Cb 0.64 -0.64 -0.02 0.00 -0.75 0.00 0.00 64.21 63.44 2k7k n SER 74 CO 0.00 0.00 0.00 -2.28 -1.23 0.00 0.00 175.04 171.53 2k7k s HIS 75 N -1.30 2.82 -0.99 0.66 2.46 -1.26 -4.75 115.29 112.92 2k7k s HIS 75 Ca 0.35 0.76 -0.02 0.00 0.47 0.00 0.00 55.06 56.61 2k7k s HIS 75 Cb 0.11 -4.04 0.29 0.00 -0.13 0.00 0.00 32.58 28.82 2k7k s HIS 75 CO -0.11 -3.53 1.27 -0.89 -2.47 0.00 0.00 174.74 169.01 2k7k n ILE 76 N 2.47 4.57 -0.34 0.89 -0.00 -1.26 -3.93 119.36 121.77 2k7k n ILE 76 Ca 0.09 -5.71 0.10 0.00 -0.00 0.00 0.00 62.75 57.23 2k7k n ILE 76 Cb 0.38 -2.14 0.28 0.00 -0.00 0.00 0.00 39.64 38.15 2k7k n ILE 76 CO 0.00 0.00 0.00 0.44 -0.00 0.00 0.00 176.55 176.99 2k7k h ASP 77 N 5.32 0.72 -2.92 4.38 3.32 -1.77 -3.39 116.42 122.09 2k7k h ASP 77 Ca 0.20 0.09 -0.32 0.00 0.02 0.00 0.00 57.03 57.02 2k7k h ASP 77 Cb 0.65 -0.04 -0.36 0.00 0.22 0.00 0.00 39.33 39.80 2k7k h ASP 77 CO 1.19 0.29 -0.64 -0.54 -1.72 0.00 0.00 179.24 177.82 2k7k s LYS 78 N -5.91 0.08 -0.35 3.56 -0.14 -1.25 -5.00 119.74 110.73 2k7k s LYS 78 Ca -0.12 0.40 -0.00 0.00 -1.36 0.00 0.00 55.97 54.89 2k7k s LYS 78 Cb 0.24 -0.70 0.09 0.00 -1.68 0.00 0.00 37.83 35.78 2k7k s LYS 78 CO 0.80 -0.44 0.08 0.00 -0.76 0.00 0.00 175.35 175.03 2k7k s ALA 79 N 2.29 2.95 0.30 5.17 0.00 -1.26 -3.23 121.76 127.98 2k7k s ALA 79 Ca 0.04 -2.26 0.09 0.00 0.00 0.00 0.00 51.96 49.82 2k7k s ALA 79 Cb -0.13 -2.11 -0.04 0.00 0.00 0.00 0.00 23.12 20.84 2k7k s ALA 79 CO -0.08 -1.58 0.10 1.21 0.00 0.00 0.00 175.76 175.41 2k7k s ASN 80 N 1.38 4.77 0.09 0.00 2.47 -1.22 -5.03 114.94 117.40 2k7k s ASN 80 Ca 0.04 -0.64 0.03 0.00 0.42 0.00 0.00 52.86 52.71 2k7k s ASN 80 Cb -0.21 -0.87 -0.03 0.00 -1.45 0.00 0.00 41.25 38.68 2k7k s ASN 80 CO -0.04 -0.16 -0.10 0.72 -3.72 0.00 0.00 177.10 173.80 2k7k s PHE 81 N -2.34 1.00 0.90 0.43 -0.12 -1.26 -3.12 117.98 113.45 2k7k s PHE 81 Ca 0.35 -0.64 -0.12 0.00 -0.05 0.00 0.00 56.93 56.46 2k7k s PHE 81 Cb -0.05 -0.55 0.18 0.00 -0.63 0.00 0.00 43.02 41.97 2k7k s PHE 81 CO 0.22 -0.02 1.24 1.21 -0.05 0.00 0.00 175.22 177.82 2k7k s ASN 82 N -2.32 3.47 -0.94 1.98 2.47 -0.61 -4.92 114.94 114.07 2k7k s ASN 82 Ca 0.03 0.13 -0.25 0.00 0.42 0.00 0.00 52.86 53.20 2k7k s ASN 82 Cb -0.04 -0.27 -0.07 0.00 -1.45 0.00 0.00 41.25 39.42 2k7k s ASN 82 CO -0.00 -2.49 2.02 0.21 -3.72 0.00 0.00 177.10 173.12 2k7k s ASN 83 N -4.84 4.87 0.26 -4.21 3.84 -1.26 -4.76 114.94 108.83 2k7k s ASN 83 Ca 0.72 -0.74 -0.30 0.00 0.21 0.00 0.00 52.86 52.75 2k7k s ASN 83 Cb -0.04 -2.56 -0.14 0.00 -0.55 0.00 0.00 41.25 37.95 2k7k s ASN 83 CO 0.51 -3.05 1.21 1.21 -2.79 0.00 0.00 177.10 174.19 2k7k n GLU 84 N 8.73 1.67 -3.88 0.43 2.13 -1.26 -4.93 120.64 123.52 2k7k n GLU 84 Ca 0.42 0.59 -0.10 0.00 0.66 0.00 0.00 57.16 58.73 2k7k n GLU 84 Cb 0.46 -2.11 -0.08 0.00 0.27 0.00 0.00 31.44 29.98 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 -1.03 0.69 0.25 5.31 -2.85 -1.20 -5.03 119.74 115.88 2k7k s LYS 85 Ca 0.64 -0.76 -0.10 0.00 -1.00 0.00 0.00 55.97 54.74 2k7k s LYS 85 Cb -0.69 0.28 -0.07 0.00 -2.06 0.00 0.00 37.83 35.29 2k7k s LYS 85 CO 0.56 -0.19 0.58 0.14 0.10 0.00 0.00 175.35 176.53 2k7k s VAL 86 N -2.91 4.90 0.30 1.79 -7.23 -1.26 -1.87 120.40 114.12 2k7k s VAL 86 Ca -0.02 0.51 -0.01 0.00 -1.81 0.00 0.00 61.98 60.65 2k7k s VAL 86 Cb 0.01 -3.63 -0.02 0.00 0.56 0.00 0.00 36.38 33.30 2k7k s VAL 86 CO -0.06 -0.11 0.36 0.27 -0.31 0.00 0.00 175.10 175.24 2k7k s ILE 87 N -1.87 0.00 0.03 -0.62 -5.25 -1.04 -4.94 121.20 107.51 2k7k s ILE 87 Ca 0.48 -1.77 -0.12 0.00 -0.99 0.00 0.00 60.65 58.25 2k7k s ILE 87 Cb -0.11 -2.53 -0.06 0.00 2.95 0.00 0.00 42.46 42.71 2k7k s ILE 87 CO 0.22 0.00 1.19 -0.07 -1.79 0.00 0.00 174.94 174.49 2k7k h LEU 88 N 2.23 -0.45 0.00 0.37 4.07 -1.99 -3.40 115.31 116.14 2k7k h LEU 88 Ca -0.28 0.03 -0.05 0.00 0.08 0.00 0.00 57.88 57.65 2k7k h LEU 88 Cb 1.24 0.14 -0.00 0.00 1.08 0.00 0.00 40.66 43.12 2k7k h LEU 88 CO 0.40 -0.24 0.12 2.29 -1.08 0.00 0.00 178.44 179.93 2k7k n LYS 89 N -3.34 0.67 -0.67 1.13 2.85 -1.26 -4.66 118.16 112.88 2k7k n LYS 89 Ca -0.05 -1.50 -0.28 0.00 -1.05 0.00 0.00 58.31 55.43 2k7k n LYS 89 Cb 0.17 1.76 0.24 0.00 -0.65 0.00 0.00 35.03 36.54 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 1.04 -0.05 -5.58 1.43 -1.26 -4.99 118.68 109.26 2k7k s LEU 90 Ca 0.12 1.48 0.07 0.00 -1.03 0.00 0.00 54.13 54.77 2k7k s LEU 90 Cb -0.03 -3.45 -0.10 0.00 0.03 0.00 0.00 46.19 42.64 2k7k s LEU 90 CO 0.09 -3.98 0.08 -0.67 0.23 0.00 0.00 176.35 172.09 2k7k n ASP 91 N -4.77 3.18 -4.36 2.29 2.03 -1.26 -5.02 116.55 108.64 2k7k n ASP 91 Ca 0.04 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 55.06 2k7k n ASP 91 Cb 0.55 0.92 -0.13 0.00 -0.72 0.00 0.00 41.12 41.73 2k7k n ASP 91 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 2k7k s TYR 92 N -2.31 2.22 -0.43 -0.67 2.02 -1.26 -5.04 117.35 111.89 2k7k s TYR 92 Ca -0.03 -0.39 0.04 0.00 -0.37 0.00 0.00 57.07 56.32 2k7k s TYR 92 Cb 0.03 -1.25 0.51 0.00 -0.40 0.00 0.00 41.96 40.85 2k7k s TYR 92 CO 0.31 0.25 1.65 0.43 -1.57 0.00 0.00 175.55 176.62 2k7k n SER 93 N 1.23 4.72 -3.62 2.29 7.64 -1.26 -4.88 113.62 119.74 2k7k n SER 93 Ca -0.18 -3.76 -0.02 0.00 1.01 0.00 0.00 58.87 55.92 2k7k n SER 93 Cb 0.53 -0.71 -0.01 0.00 -1.01 0.00 0.00 64.21 63.01 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 -2.37 -0.13 -0.07 6.43 2.15 -1.26 -5.11 116.67 116.31 2k7k s ASP 94 Ca 0.54 -0.11 0.05 0.00 0.43 0.00 0.00 52.55 53.46 2k7k s ASP 94 Cb 0.45 0.22 -0.01 0.00 -0.30 0.00 0.00 42.92 43.28 2k7k s ASP 94 CO 0.02 -0.39 -0.24 0.72 -0.17 0.00 0.00 175.17 175.11 2k7k s PHE 95 N -2.61 2.49 0.39 -5.34 -0.71 -1.26 -3.62 117.98 107.31 2k7k s PHE 95 Ca 0.11 -0.76 -0.12 0.00 -1.04 0.00 0.00 56.93 55.12 2k7k s PHE 95 Cb 0.01 -1.63 0.05 0.00 -1.21 0.00 0.00 43.02 40.24 2k7k s PHE 95 CO -0.04 -0.24 0.73 -0.65 -1.34 0.00 0.00 175.22 173.68 2k7k s GLN 96 N -0.06 2.21 -0.23 1.99 -0.21 -1.20 -4.99 119.66 117.17 2k7k s GLN 96 Ca -0.06 -1.56 0.01 0.00 0.02 0.00 0.00 55.36 53.77 2k7k s GLN 96 Cb -0.15 0.59 0.04 0.00 1.00 0.00 0.00 33.01 34.49 2k7k s GLN 96 CO 0.05 -1.01 -0.14 0.42 -2.12 0.00 0.00 175.29 172.49 2k7k s ILE 97 N -2.32 2.26 0.24 1.08 1.01 -1.26 -3.82 121.20 118.39 2k7k s ILE 97 Ca 0.19 -1.25 -0.31 0.00 0.00 0.00 0.00 60.65 59.29 2k7k s ILE 97 Cb -0.04 -2.15 -0.11 0.00 0.01 0.00 0.00 42.46 40.17 2k7k s ILE 97 CO 0.14 0.24 1.54 -0.69 0.00 0.00 0.00 174.94 176.17 2k7k s VAL 98 N 1.22 2.41 -2.00 2.92 1.01 -1.12 -4.92 120.40 119.91 2k7k s VAL 98 Ca -0.02 0.33 0.24 0.00 0.00 0.00 0.00 61.98 62.53 2k7k s VAL 98 Cb -0.17 -3.21 0.68 0.00 0.00 0.00 0.00 36.38 33.69 2k7k s VAL 98 CO -0.08 0.04 1.80 1.17 0.00 0.00 0.00 175.10 178.03