#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2w53 h ASP 8 N 0.00 0.21 0.40 4.31 3.32 -1.95 0.30 116.42 123.01 2w53 h ASP 8 Ca 0.00 0.15 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2w53 h ASP 8 Cb 0.00 0.15 0.00 0.00 0.22 0.00 0.00 39.33 39.70 2w53 h ASP 8 CO 0.00 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 177.87 2w53 n THR 9 N -5.08 0.82 1.02 0.35 -2.24 -1.26 -2.31 114.28 105.58 2w53 n THR 9 Ca 0.18 0.20 0.12 0.00 -2.27 0.00 0.00 64.05 62.29 2w53 n THR 9 Cb 0.55 -0.96 0.29 0.00 -2.10 0.00 0.00 70.33 68.11 2w53 n THR 9 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2w53 n GLN 10 N -1.40 0.06 -2.04 -0.78 1.13 0.10 -4.93 117.38 109.51 2w53 n GLN 10 Ca 0.05 -0.04 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 2w53 n GLN 10 Cb 0.15 -1.50 -0.01 0.00 0.11 0.00 0.00 30.24 28.98 2w53 n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2w53 s ALA 11 N -2.96 3.48 0.34 -1.58 0.00 -0.98 -5.01 121.76 115.05 2w53 s ALA 11 Ca 0.12 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.41 2w53 s ALA 11 Cb 0.18 -3.51 -0.03 0.00 0.00 0.00 0.00 23.12 19.76 2w53 s ALA 11 CO 0.67 -0.76 0.54 0.95 0.00 0.00 0.00 175.76 177.17 2w53 s THR 12 N -1.15 5.11 0.12 0.00 -4.23 -1.26 -4.98 115.64 109.24 2w53 s THR 12 Ca 0.51 -0.44 -0.15 0.00 -1.18 0.00 0.00 61.69 60.43 2w53 s THR 12 Cb -0.41 -3.85 -0.02 0.00 1.34 0.00 0.00 72.50 69.55 2w53 s THR 12 CO 0.54 -0.54 1.56 -0.09 -0.54 0.00 0.00 174.62 175.56 2w53 h ARG 13 N 0.83 0.70 -0.79 3.99 2.43 -1.97 -1.62 114.38 117.96 2w53 h ARG 13 Ca -0.50 -0.23 -0.02 0.00 -0.81 0.00 0.00 59.98 58.42 2w53 h ARG 13 Cb 1.22 -0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.67 2w53 h ARG 13 CO 0.62 0.80 0.42 0.93 -1.51 0.00 0.00 179.97 181.23 2w53 h GLU 14 N 0.53 1.11 -0.68 0.20 4.39 -1.98 -0.41 114.58 117.73 2w53 h GLU 14 Ca 0.11 -0.14 -0.04 0.00 0.34 0.00 0.00 59.36 59.64 2w53 h GLU 14 Cb 0.50 -0.21 -0.03 0.00 -0.10 0.00 0.00 28.75 28.90 2w53 h GLU 14 CO 0.02 0.83 0.28 0.78 -1.16 0.00 0.00 179.01 179.76 2w53 h GLY 15 N 1.09 1.07 0.92 -3.84 0.00 -1.91 0.29 103.07 100.69 2w53 h GLY 15 Ca 0.27 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 2w53 h GLY 15 CO -0.04 0.54 0.11 -2.22 0.00 0.00 0.00 176.54 174.93 2w53 h ILE 16 N 0.95 1.21 -0.49 2.60 1.08 -1.03 -1.35 117.51 120.47 2w53 h ILE 16 Ca 0.23 -0.67 -0.02 0.00 -0.39 0.00 0.00 64.86 64.00 2w53 h ILE 16 Cb 0.19 1.01 -0.02 0.00 -3.07 0.00 0.00 36.82 34.93 2w53 h ILE 16 CO -0.02 0.23 0.23 -0.07 -0.69 0.00 0.00 178.15 177.83 2w53 h LEU 17 N 0.40 0.65 -0.49 1.44 3.38 -0.81 0.12 115.31 120.00 2w53 h LEU 17 Ca 0.11 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 57.95 2w53 h LEU 17 Cb 0.25 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.81 2w53 h LEU 17 CO -0.00 0.60 0.32 0.44 0.09 0.00 0.00 178.44 179.89 2w53 h ASP 18 N 0.65 0.55 -0.48 -0.43 3.32 -0.32 -0.52 116.42 119.18 2w53 h ASP 18 Ca 0.17 -0.01 -0.01 0.00 0.02 0.00 0.00 57.03 57.19 2w53 h ASP 18 Cb 0.13 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.53 2w53 h ASP 18 CO -0.02 0.40 0.24 0.00 -1.72 0.00 0.00 179.24 178.14 2w53 h ALA 19 N 1.18 0.62 -0.55 3.45 0.00 -1.04 -2.72 119.26 120.20 2w53 h ALA 19 Ca 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 2w53 h ALA 19 Cb -0.07 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 2w53 h ALA 19 CO -0.04 0.17 0.29 0.00 0.00 0.00 0.00 179.25 179.66 2w53 h ALA 20 N 1.09 0.70 -0.70 0.00 0.00 -0.43 -2.29 119.26 117.62 2w53 h ALA 20 Ca 0.17 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 55.01 2w53 h ALA 20 Cb 0.09 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 17.62 2w53 h ALA 20 CO -0.02 0.23 0.43 1.49 0.00 0.00 0.00 179.25 181.38 2w53 h GLU 21 N 0.74 0.80 -0.62 0.00 4.81 -1.07 0.03 114.58 119.26 2w53 h GLU 21 Ca 0.19 -0.05 -0.04 0.00 -0.13 0.00 0.00 59.36 59.33 2w53 h GLU 21 Cb 0.06 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.23 2w53 h GLU 21 CO -0.03 0.53 0.23 0.00 -0.73 0.00 0.00 179.01 179.01 2w53 h ALA 22 N 1.32 0.81 -0.09 2.92 0.00 -1.24 0.57 119.26 123.54 2w53 h ALA 22 Ca 0.29 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 2w53 h ALA 22 Cb 0.07 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.61 2w53 h ALA 22 CO -0.13 0.44 0.02 0.00 0.00 0.00 0.00 179.25 179.59 2w53 h PHE 24 N -0.06 1.11 -0.56 0.00 0.04 -0.89 0.13 116.94 116.72 2w53 h PHE 24 Ca 0.03 0.02 -0.04 0.00 2.80 0.00 0.00 57.97 60.78 2w53 h PHE 24 Cb 0.24 -0.38 -0.03 0.00 2.20 0.00 0.00 35.95 37.99 2w53 h PHE 24 CO 0.00 0.70 0.17 0.45 -0.60 0.00 0.00 178.31 179.03 2w53 h HIS 25 N 1.20 0.86 0.04 -0.55 3.86 -0.79 -0.20 115.15 119.57 2w53 h HIS 25 Ca 0.32 -0.07 -0.31 0.00 -1.16 0.00 0.00 60.37 59.16 2w53 h HIS 25 Cb -0.14 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.04 2w53 h HIS 25 CO -0.01 0.70 -1.75 0.93 0.86 0.00 0.00 177.93 178.66 2w53 h GLU 26 N 0.82 0.08 0.00 2.45 5.08 -0.78 -3.40 114.58 118.82 2w53 h GLU 26 Ca 0.18 -0.13 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2w53 h GLU 26 Cb 0.25 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.55 2w53 h GLU 26 CO -0.01 0.71 -1.17 0.72 -1.00 0.00 0.00 179.01 178.26 2w53 n HIS 27 N -3.18 0.00 0.00 4.33 8.25 0.42 -5.09 115.22 119.95 2w53 n HIS 27 Ca -0.20 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.26 2w53 n HIS 27 Cb 1.05 -0.13 0.00 0.00 1.12 0.00 0.00 29.99 32.03 2w53 n HIS 27 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2w53 n GLY 28 N 2.02 0.78 0.14 -1.41 0.00 -0.09 -4.37 105.19 102.27 2w53 n GLY 28 Ca -0.01 -1.86 -0.14 0.00 0.00 0.00 0.00 46.02 44.01 2w53 n GLY 28 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w53 h VAL 29 N 0.00 1.39 -0.68 1.61 2.07 -1.91 -3.09 116.25 115.64 2w53 h VAL 29 Ca 0.00 -1.59 0.09 0.00 0.82 0.00 0.00 66.70 66.01 2w53 h VAL 29 Cb 0.00 2.13 -0.07 0.00 -1.52 0.00 0.00 31.29 31.83 2w53 h VAL 29 CO 0.00 0.47 0.33 0.00 0.02 0.00 0.00 177.57 178.38 2w53 h ALA 30 N 0.51 0.92 0.00 1.67 0.00 -1.97 -2.99 119.26 117.40 2w53 h ALA 30 Ca -0.00 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.96 2w53 h ALA 30 Cb 0.89 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.65 2w53 h ALA 30 CO 0.06 -0.07 -0.50 0.54 0.00 0.00 0.00 179.25 179.28 2w53 n ARG 31 N -4.88 0.04 -2.60 0.00 1.74 -1.25 -4.84 116.66 104.87 2w53 n ARG 31 Ca 0.10 0.01 -0.41 0.00 -0.77 0.00 0.00 57.85 56.78 2w53 n ARG 31 Cb 0.26 -1.53 -0.04 0.00 -1.02 0.00 0.00 32.46 30.13 2w53 n ARG 31 CO 0.00 0.00 0.00 0.99 -1.52 0.00 0.00 177.63 177.10 2w53 s THR 32 N -3.03 4.13 0.37 0.55 2.01 -1.13 -5.01 115.64 113.53 2w53 s THR 32 Ca 0.10 1.81 0.08 0.00 0.31 0.00 0.00 61.69 63.99 2w53 s THR 32 Cb 0.17 -4.15 -0.06 0.00 0.01 0.00 0.00 72.50 68.47 2w53 s THR 32 CO 0.70 0.30 0.05 0.42 -0.69 0.00 0.00 174.62 175.40 2w53 s THR 33 N -0.13 2.46 0.25 -0.82 -4.23 -1.26 -5.00 115.64 106.90 2w53 s THR 33 Ca 0.48 -1.91 -0.03 0.00 -1.18 0.00 0.00 61.69 59.05 2w53 s THR 33 Cb -0.27 -2.88 0.12 0.00 1.34 0.00 0.00 72.50 70.82 2w53 s THR 33 CO 0.33 -0.12 1.76 -0.07 -0.54 0.00 0.00 174.62 175.98 2w53 h LEU 34 N 1.71 0.85 -0.83 4.79 3.38 -1.98 -1.84 115.31 121.38 2w53 h LEU 34 Ca -0.43 -0.19 0.02 0.00 0.09 0.00 0.00 57.88 57.38 2w53 h LEU 34 Cb 1.25 -0.22 -0.05 0.00 0.09 0.00 0.00 40.66 41.73 2w53 h LEU 34 CO 0.70 0.87 0.54 -0.33 0.09 0.00 0.00 178.44 180.30 2w53 h GLU 35 N 0.84 1.05 -0.20 1.13 3.07 -1.93 -0.77 114.58 117.78 2w53 h GLU 35 Ca 0.17 -0.06 -0.03 0.00 -0.50 0.00 0.00 59.36 58.94 2w53 h GLU 35 Cb 0.39 -0.24 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 2w53 h GLU 35 CO 0.01 0.70 0.01 1.98 -1.40 0.00 0.00 179.01 180.30 2w53 h MET 36 N 1.08 0.35 -0.42 2.33 4.05 -1.86 0.16 114.93 120.62 2w53 h MET 36 Ca 0.32 -0.11 0.04 0.00 -0.28 0.00 0.00 59.70 59.67 2w53 h MET 36 Cb -0.06 -0.03 -0.04 0.00 -0.80 0.00 0.00 31.60 30.67 2w53 h MET 36 CO -0.09 0.54 0.19 0.82 0.23 0.00 0.00 176.91 178.59 2w53 h ILE 37 N 0.11 0.93 -0.15 1.77 2.04 -1.22 0.12 117.51 121.10 2w53 h ILE 37 Ca 0.06 -0.13 0.02 0.00 1.00 0.00 0.00 64.86 65.80 2w53 h ILE 37 Cb 0.38 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.96 2w53 h ILE 37 CO 0.01 0.07 0.04 1.23 0.00 0.00 0.00 178.15 179.49 2w53 h GLY 38 N 0.38 0.17 1.00 5.37 0.00 -0.93 -1.56 103.07 107.51 2w53 h GLY 38 Ca 0.18 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.50 2w53 h GLY 38 CO -0.15 0.01 0.38 0.00 0.00 0.00 0.00 176.54 176.77 2w53 h ALA 39 N 1.11 0.77 -0.88 3.60 0.00 -0.69 0.10 119.26 123.27 2w53 h ALA 39 Ca 0.07 -0.06 0.09 0.00 0.00 0.00 0.00 54.91 55.00 2w53 h ALA 39 Cb 0.05 -0.24 -0.07 0.00 0.00 0.00 0.00 17.79 17.53 2w53 h ALA 39 CO -0.09 0.24 0.54 -0.09 0.00 0.00 0.00 179.25 179.85 2w53 h ARG 40 N 0.82 0.90 0.00 0.00 9.65 -0.36 -1.05 114.38 124.34 2w53 h ARG 40 Ca 0.22 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.05 2w53 h ARG 40 Cb -0.04 -0.20 0.00 0.00 -1.39 0.00 0.00 29.97 28.33 2w53 h ARG 40 CO -0.04 0.59 0.00 0.00 2.80 0.00 0.00 179.97 183.32 2w53 n ALA 41 N -2.36 2.17 -0.04 2.80 0.00 -0.62 -4.88 120.51 117.58 2w53 n ALA 41 Ca 0.14 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2w53 n ALA 41 Cb 0.25 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2w53 n ALA 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2w53 n GLY 42 N 1.14 0.98 0.00 0.00 0.00 -0.40 -5.02 105.19 101.90 2w53 n GLY 42 Ca 0.06 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 46.05 2w53 n GLY 42 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2w53 n TYR 43 N -2.04 0.00 -4.44 1.61 4.01 0.29 -4.80 117.16 111.79 2w53 n TYR 43 Ca 0.00 0.00 -0.22 0.00 -0.16 0.00 0.00 57.90 57.52 2w53 n TYR 43 Cb 0.00 0.00 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 2w53 n TYR 43 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 2w53 n THR 44 N 0.00 0.00 -0.22 -0.72 -2.24 -1.26 -3.30 114.28 106.55 2w53 n THR 44 Ca 0.00 -2.00 0.19 0.00 -2.27 0.00 0.00 64.05 59.97 2w53 n THR 44 Cb 0.00 0.69 0.52 0.00 -2.10 0.00 0.00 70.33 69.44 2w53 n THR 44 CO 0.00 0.00 0.00 -0.09 -0.57 0.00 0.00 175.07 174.41 2w53 h ARG 45 N 0.00 0.37 -0.14 -0.78 2.43 -1.81 -0.84 114.38 113.61 2w53 h ARG 45 Ca -0.27 -0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 58.87 2w53 h ARG 45 Cb 1.02 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.48 2w53 h ARG 45 CO 0.44 0.24 0.07 0.78 -1.51 0.00 0.00 179.97 179.99 2w53 h GLY 46 N 0.38 0.20 2.00 2.80 0.00 -1.96 0.88 103.07 107.37 2w53 h GLY 46 Ca 0.44 -0.08 -0.07 0.00 0.00 0.00 0.00 47.33 47.62 2w53 h GLY 46 CO -0.15 0.08 -0.33 0.00 0.00 0.00 0.00 176.54 176.14 2w53 h ALA 47 N 1.89 1.42 0.03 3.60 0.00 -1.35 -0.96 119.26 123.88 2w53 h ALA 47 Ca 0.05 -0.30 -0.23 0.00 0.00 0.00 0.00 54.91 54.43 2w53 h ALA 47 Cb 0.02 -0.05 0.02 0.00 0.00 0.00 0.00 17.79 17.78 2w53 h ALA 47 CO -0.01 0.41 -0.93 0.28 0.00 0.00 0.00 179.25 179.00 2w53 h VAL 48 N 0.00 1.34 0.00 0.00 2.07 -0.92 -3.08 116.25 115.66 2w53 h VAL 48 Ca -0.00 -2.24 -0.02 0.00 0.82 0.00 0.00 66.70 65.25 2w53 h VAL 48 Cb 0.59 2.54 -0.00 0.00 -1.52 0.00 0.00 31.29 32.91 2w53 h VAL 48 CO 0.04 0.68 -0.10 1.88 0.02 0.00 0.00 177.57 180.09 2w53 h TYR 49 N 0.18 0.00 0.00 1.57 0.05 -1.07 0.12 116.97 117.82 2w53 h TYR 49 Ca -0.12 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.65 2w53 h TYR 49 Cb 1.61 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 39.35 2w53 h TYR 49 CO 0.12 0.10 -0.01 2.35 -1.05 0.00 0.00 178.16 179.68 2w53 h TRP 50 N 0.00 0.00 0.00 4.88 -0.00 -1.08 -3.23 115.95 116.52 2w53 h TRP 50 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.89 58.89 2w53 h TRP 50 Cb 0.21 0.00 0.00 0.00 -0.00 0.00 0.00 29.16 29.37 2w53 h TRP 50 CO 0.00 0.01 -0.97 0.72 -0.00 0.00 0.00 178.44 178.20 2w53 n HIS 51 N -3.36 0.00 -4.41 2.65 8.25 -0.67 -5.07 115.22 112.61 2w53 n HIS 51 Ca -0.03 0.00 -0.19 0.00 -0.26 0.00 0.00 57.72 57.24 2w53 n HIS 51 Cb 0.09 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.06 2w53 n HIS 51 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2w53 s PHE 52 N -1.96 0.93 0.24 4.41 0.08 0.33 -5.03 117.98 116.98 2w53 s PHE 52 Ca 0.00 -0.20 0.01 0.00 0.12 0.00 0.00 56.93 56.86 2w53 s PHE 52 Cb 0.00 -0.59 0.26 0.00 -0.57 0.00 0.00 43.02 42.12 2w53 s PHE 52 CO 0.00 -0.01 1.60 -0.22 -0.10 0.00 0.00 175.22 176.49 2w53 h LYS 53 N 5.76 0.43 0.00 0.44 3.64 -1.85 -3.34 116.57 121.65 2w53 h LYS 53 Ca -0.32 -0.23 0.08 0.00 -1.27 0.00 0.00 60.65 58.90 2w53 h LYS 53 Cb 1.18 0.01 -0.01 0.00 -0.41 0.00 0.00 32.23 33.00 2w53 h LYS 53 CO 0.49 0.80 0.42 0.27 -2.27 0.00 0.00 179.45 179.16 2w53 n ASN 54 N -3.99 -1.72 -0.02 4.20 0.23 -1.26 -4.99 115.26 107.71 2w53 n ASN 54 Ca -0.02 -2.03 -0.03 0.00 -0.53 0.00 0.00 54.58 51.96 2w53 n ASN 54 Cb 0.54 2.83 0.20 0.00 -2.08 0.00 0.00 39.78 41.27 2w53 n ASN 54 CO 0.00 0.00 0.00 0.50 -0.93 0.00 0.00 177.26 176.83 2w53 h LYS 55 N 0.00 0.57 -0.79 -3.83 3.64 -2.00 -2.59 116.57 111.57 2w53 h LYS 55 Ca -0.26 -0.19 0.09 0.00 -1.27 0.00 0.00 60.65 59.02 2w53 h LYS 55 Cb 1.07 -0.05 -0.07 0.00 -0.41 0.00 0.00 32.23 32.77 2w53 h LYS 55 CO 0.34 0.71 0.44 0.77 -2.27 0.00 0.00 179.45 179.45 2w53 h SER 56 N 0.52 0.63 -0.24 4.20 0.02 -1.99 0.02 113.55 116.71 2w53 h SER 56 Ca 0.09 0.05 -0.08 0.00 -0.84 0.00 0.00 61.79 61.00 2w53 h SER 56 Cb 0.57 -0.08 -0.02 0.00 0.14 0.00 0.00 62.40 63.02 2w53 h SER 56 CO 0.04 0.37 -0.12 -0.33 -1.14 0.00 0.00 176.83 175.65 2w53 h GLU 57 N 0.76 0.64 -0.07 3.45 5.08 -1.88 -0.51 114.58 122.06 2w53 h GLU 57 Ca 0.37 -0.20 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2w53 h GLU 57 Cb 0.33 -0.06 -0.00 0.00 0.50 0.00 0.00 28.75 29.51 2w53 h GLU 57 CO -0.24 0.75 0.01 0.28 -1.00 0.00 0.00 179.01 178.81 2w53 h VAL 58 N 0.58 1.21 -0.91 3.13 2.07 -1.03 -1.58 116.25 119.73 2w53 h VAL 58 Ca 0.10 -0.65 0.01 0.00 0.82 0.00 0.00 66.70 66.99 2w53 h VAL 58 Cb 0.55 1.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2w53 h VAL 58 CO 0.03 0.18 0.60 0.25 0.02 0.00 0.00 177.57 178.66 2w53 h LEU 59 N -0.13 1.04 -1.00 2.57 5.85 -0.83 -0.75 115.31 122.06 2w53 h LEU 59 Ca 0.02 -0.03 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 2w53 h LEU 59 Cb 0.27 -0.26 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 2w53 h LEU 59 CO 0.00 0.75 0.02 0.00 -0.34 0.00 0.00 178.44 178.87 2w53 h ALA 60 N 1.33 1.17 -0.31 1.25 0.00 -0.99 -0.61 119.26 121.11 2w53 h ALA 60 Ca 0.33 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.85 2w53 h ALA 60 Cb -0.14 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 2w53 h ALA 60 CO -0.07 0.54 -0.39 0.00 0.00 0.00 0.00 179.25 179.33 2w53 h ALA 61 N 1.32 0.74 -0.64 0.00 0.00 -0.42 -0.67 119.26 119.58 2w53 h ALA 61 Ca 0.14 -0.44 -0.02 0.00 0.00 0.00 0.00 54.91 54.59 2w53 h ALA 61 Cb 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2w53 h ALA 61 CO 0.01 0.66 0.33 0.82 0.00 0.00 0.00 179.25 181.08 2w53 h ILE 62 N 0.60 1.21 -0.31 0.00 2.04 -0.70 -2.37 117.51 117.98 2w53 h ILE 62 Ca 0.05 -0.56 -0.16 0.00 1.00 0.00 0.00 64.86 65.19 2w53 h ILE 62 Cb 0.93 0.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.42 2w53 h ILE 62 CO 0.08 0.24 -0.42 0.58 0.00 0.00 0.00 178.15 178.63 2w53 h VAL 63 N 0.88 1.28 -0.30 1.67 2.07 -1.07 -3.13 116.25 117.65 2w53 h VAL 63 Ca 0.22 -1.60 -0.04 0.00 0.82 0.00 0.00 66.70 66.10 2w53 h VAL 63 Cb 0.08 1.56 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2w53 h VAL 63 CO -0.03 0.52 0.03 -0.08 0.02 0.00 0.00 177.57 178.03 2w53 h GLU 64 N 0.61 0.45 -0.24 1.57 4.81 -0.97 -0.53 114.58 120.28 2w53 h GLU 64 Ca 0.04 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.10 2w53 h GLU 64 Cb 1.02 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 30.31 2w53 h GLU 64 CO 0.10 0.46 -0.21 -0.09 -0.73 0.00 0.00 179.01 178.53 2w53 h ARG 65 N 0.44 0.44 0.06 1.92 2.43 -1.37 -0.47 114.38 117.83 2w53 h ARG 65 Ca 0.10 -0.15 -0.34 0.00 -0.81 0.00 0.00 59.98 58.78 2w53 h ARG 65 Cb 0.25 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.73 2w53 h ARG 65 CO 0.00 0.63 -1.92 0.28 -1.51 0.00 0.00 179.97 177.45 2w53 n VAL 66 N -4.15 1.66 -0.11 0.20 0.31 -1.13 -4.45 118.33 110.64 2w53 n VAL 66 Ca -0.00 -0.46 -0.12 0.00 -0.01 0.00 0.00 64.34 63.75 2w53 n VAL 66 Cb 0.37 -1.78 -0.01 0.00 -0.91 0.00 0.00 33.84 31.51 2w53 n VAL 66 CO 0.00 0.00 0.00 -0.74 -1.32 0.00 0.00 176.83 174.77 2w53 h HIS 67 N -0.31 1.09 -0.24 3.52 -0.00 -1.08 -3.34 115.15 114.79 2w53 h HIS 67 Ca -0.45 -0.32 -0.11 0.00 -0.00 0.00 0.00 60.37 59.49 2w53 h HIS 67 Cb 1.79 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 28.95 2w53 h HIS 67 CO 0.06 1.14 -0.31 1.25 -0.00 0.00 0.00 177.93 180.07 2w53 h LEU 68 N 0.75 0.50 -0.78 0.26 6.46 -1.29 -2.28 115.31 118.92 2w53 h LEU 68 Ca 0.07 -0.19 -0.01 0.00 -0.12 0.00 0.00 57.88 57.63 2w53 h LEU 68 Cb 0.95 -0.14 -0.04 0.00 -0.73 0.00 0.00 40.66 40.71 2w53 h LEU 68 CO 0.09 0.78 0.46 -0.65 -0.62 0.00 0.00 178.44 178.51 2w53 h PRO 69 N 0.42 1.07 -0.92 5.25 0.11 -1.78 -1.73 132.00 134.42 2w53 h PRO 69 Ca 0.05 -0.10 0.05 0.00 0.11 0.00 0.00 66.00 66.11 2w53 h PRO 69 Cb 0.75 -0.22 -0.06 0.00 0.11 0.00 0.00 31.00 31.59 2w53 h PRO 69 CO 0.06 0.76 0.60 0.35 -0.21 0.00 0.00 178.00 179.57 2w53 h PHE 70 N 1.07 1.10 -0.36 0.65 3.57 -1.59 -1.92 116.94 119.47 2w53 h PHE 70 Ca 0.28 0.03 -0.12 0.00 3.53 0.00 0.00 57.97 61.69 2w53 h PHE 70 Cb -0.02 -0.36 -0.01 0.00 2.79 0.00 0.00 35.95 38.35 2w53 h PHE 70 CO -0.00 0.61 -0.24 0.52 -2.23 0.00 0.00 178.31 176.97 2w53 h MET 71 N 1.11 0.79 -1.00 1.11 2.86 -1.02 -1.94 114.93 116.84 2w53 h MET 71 Ca 0.38 -0.38 0.04 0.00 -2.06 0.00 0.00 59.70 57.68 2w53 h MET 71 Cb 0.09 -0.01 -0.06 0.00 0.06 0.00 0.00 31.60 31.68 2w53 h MET 71 CO -0.13 1.00 0.66 1.96 1.06 0.00 0.00 176.91 181.46 2w53 h GLN 72 N 0.58 1.23 0.02 1.72 4.20 -0.98 -1.03 115.11 120.86 2w53 h GLN 72 Ca 0.07 -0.07 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 2w53 h GLN 72 Cb 0.80 -0.28 0.00 0.00 0.30 0.00 0.00 27.48 28.30 2w53 h GLN 72 CO 0.07 0.82 -0.01 0.93 -0.67 0.00 0.00 178.83 179.96 2w53 h GLU 73 N 1.27 -0.03 -0.85 1.46 4.39 -1.14 -2.89 114.58 116.79 2w53 h GLU 73 Ca 0.40 0.00 0.09 0.00 0.34 0.00 0.00 59.36 60.19 2w53 h GLU 73 Cb -0.00 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 28.59 2w53 h GLU 73 CO -0.12 0.23 0.55 -0.07 -1.16 0.00 0.00 179.01 178.44 2w53 h LEU 74 N -0.29 0.77 -0.87 1.33 3.38 -1.21 -1.92 115.31 116.50 2w53 h LEU 74 Ca -0.00 0.02 0.05 0.00 0.09 0.00 0.00 57.88 58.03 2w53 h LEU 74 Cb 0.27 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.82 2w53 h LEU 74 CO 0.01 0.47 0.55 -0.08 0.09 0.00 0.00 178.44 179.47 2w53 h GLU 75 N 0.85 0.99 0.00 1.13 4.57 -1.08 -2.67 114.58 118.39 2w53 h GLU 75 Ca 0.38 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2w53 h GLU 75 Cb 0.36 -0.22 -0.00 0.00 -0.16 0.00 0.00 28.75 28.73 2w53 h GLU 75 CO -0.15 0.66 -0.07 0.00 -1.18 0.00 0.00 179.01 178.26 2w53 h ARG 76 N 1.02 0.00 0.00 1.92 3.08 -1.14 -3.02 114.38 116.24 2w53 h ARG 76 Ca 0.36 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.41 2w53 h ARG 76 Cb 0.11 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 2w53 h ARG 76 CO -0.15 0.07 -0.01 1.79 -1.07 0.00 0.00 179.97 180.60 2w53 h THR 77 N 0.00 0.05 -0.71 2.04 1.35 -1.46 -2.44 112.91 111.74 2w53 h THR 77 Ca -0.00 -0.20 0.00 0.00 -0.55 0.00 0.00 66.41 65.66 2w53 h THR 77 Cb 0.15 1.19 0.00 0.00 -1.73 0.00 0.00 68.15 67.76 2w53 h THR 77 CO 0.01 0.01 0.00 -1.54 -0.25 0.00 0.00 175.52 173.75 2w53 n SER 78 N -3.14 3.91 -4.75 5.36 3.41 -1.14 -4.44 113.62 112.83 2w53 n SER 78 Ca -0.02 -2.00 -0.38 0.00 -0.26 0.00 0.00 58.87 56.21 2w53 n SER 78 Cb 0.16 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 63.68 2w53 n SER 78 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 2w53 s THR 79 N -1.02 2.14 -1.04 6.66 -1.32 -0.92 -4.90 115.64 115.24 2w53 s THR 79 Ca 0.48 0.10 0.17 0.00 -1.21 0.00 0.00 61.69 61.23 2w53 s THR 79 Cb 0.25 -3.05 0.15 0.00 -1.51 0.00 0.00 72.50 68.34 2w53 s THR 79 CO 0.33 -0.00 1.53 0.47 -2.21 0.00 0.00 174.62 174.74 2w53 n ASP 80 N -1.00 0.00 -0.95 8.08 10.43 -1.26 -3.66 116.55 128.19 2w53 n ASP 80 Ca 0.10 0.46 0.12 0.00 2.57 0.00 0.00 54.79 58.04 2w53 n ASP 80 Cb 0.45 -0.48 0.19 0.00 1.84 0.00 0.00 41.12 43.12 2w53 n ASP 80 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 2w53 n GLN 81 N -1.48 2.29 -4.01 -1.24 1.13 -1.26 -4.90 117.38 107.92 2w53 n GLN 81 Ca 0.04 -1.91 -0.09 0.00 -1.94 0.00 0.00 57.00 53.11 2w53 n GLN 81 Cb 0.19 -1.48 -0.11 0.00 0.11 0.00 0.00 30.24 28.96 2w53 n GLN 81 CO 0.00 0.00 0.00 1.03 -1.44 0.00 0.00 177.06 176.65 2w53 s ARG 82 N -1.84 0.39 -0.18 -1.09 0.52 -1.24 -5.08 118.95 110.43 2w53 s ARG 82 Ca 0.32 -0.77 0.16 0.00 -0.52 0.00 0.00 55.73 54.92 2w53 s ARG 82 Cb 0.21 0.14 0.43 0.00 0.52 0.00 0.00 34.95 36.24 2w53 s ARG 82 CO 0.31 -0.07 1.31 -0.25 0.02 0.00 0.00 175.30 176.62 2w53 n ASP 83 N 1.19 2.91 -3.12 0.23 8.00 -1.26 -4.71 116.55 119.79 2w53 n ASP 83 Ca -0.21 -3.24 -0.24 0.00 0.71 0.00 0.00 54.79 51.81 2w53 n ASP 83 Cb 0.57 -0.51 -0.05 0.00 -0.02 0.00 0.00 41.12 41.11 2w53 n ASP 83 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 2w53 n THR 84 N -1.01 1.45 -0.11 -3.53 -2.24 -1.26 -4.94 114.28 102.64 2w53 n THR 84 Ca 0.21 -5.01 -0.02 0.00 -2.27 0.00 0.00 64.05 56.96 2w53 n THR 84 Cb 0.80 -1.20 0.22 0.00 -2.10 0.00 0.00 70.33 68.05 2w53 n THR 84 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2w53 h PRO 85 N 3.29 0.79 -0.26 -0.78 0.13 -1.84 -0.46 132.00 132.86 2w53 h PRO 85 Ca 0.12 -0.14 -0.04 0.00 -0.87 0.00 0.00 66.00 65.06 2w53 h PRO 85 Cb 0.73 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.72 2w53 h PRO 85 CO 0.67 0.69 -0.01 0.28 -0.23 0.00 0.00 178.00 179.41 2w53 h VAL 86 N 0.77 1.26 -0.55 1.56 2.07 -1.87 -1.08 116.25 118.40 2w53 h VAL 86 Ca 0.17 -0.94 -0.05 0.00 0.82 0.00 0.00 66.70 66.70 2w53 h VAL 86 Cb 0.25 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.34 2w53 h VAL 86 CO -0.01 0.30 0.12 0.45 0.02 0.00 0.00 177.57 178.45 2w53 h HIS 87 N 0.25 0.89 -0.40 1.57 3.86 -1.82 -1.58 115.15 117.92 2w53 h HIS 87 Ca 0.07 -0.09 -0.09 0.00 -1.16 0.00 0.00 60.37 59.11 2w53 h HIS 87 Cb 0.43 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.63 2w53 h HIS 87 CO 0.04 0.75 -0.09 -0.44 0.86 0.00 0.00 177.93 179.04 2w53 h ASP 88 N 0.82 0.77 -0.59 2.45 5.19 -1.02 0.17 116.42 124.22 2w53 h ASP 88 Ca 0.18 -0.36 0.01 0.00 -0.62 0.00 0.00 57.03 56.24 2w53 h ASP 88 Cb 0.31 -0.21 -0.03 0.00 0.18 0.00 0.00 39.33 39.58 2w53 h ASP 88 CO 0.00 0.95 0.39 0.25 -3.12 0.00 0.00 179.24 177.72 2w53 h LEU 89 N 0.58 0.68 -0.79 1.55 5.85 -1.00 -0.45 115.31 121.73 2w53 h LEU 89 Ca 0.10 -0.02 -0.04 0.00 0.84 0.00 0.00 57.88 58.76 2w53 h LEU 89 Cb 0.61 -0.17 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 2w53 h LEU 89 CO 0.04 0.49 0.33 0.03 -0.34 0.00 0.00 178.44 178.99 2w53 h ARG 90 N 0.80 1.17 -0.32 1.25 3.08 -1.03 -0.49 114.38 118.84 2w53 h ARG 90 Ca 0.22 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 60.05 2w53 h ARG 90 Cb -0.09 -0.19 -0.01 0.00 0.08 0.00 0.00 29.97 29.75 2w53 h ARG 90 CO -0.05 0.94 0.14 0.00 -1.07 0.00 0.00 179.97 179.93 2w53 h ALA 91 N 1.17 0.41 -0.01 0.04 0.00 -0.48 0.95 119.26 121.34 2w53 h ALA 91 Ca 0.27 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 2w53 h ALA 91 Cb 0.20 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 2w53 h ALA 91 CO -0.02 -0.01 0.01 0.28 0.00 0.00 0.00 179.25 179.50 2w53 h VAL 92 N 0.37 1.12 -0.18 0.00 2.07 -0.91 -2.60 116.25 116.13 2w53 h VAL 92 Ca 0.11 -0.36 -0.03 0.00 0.82 0.00 0.00 66.70 67.24 2w53 h VAL 92 Cb 0.15 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.26 2w53 h VAL 92 CO -0.01 0.10 0.00 0.24 0.02 0.00 0.00 177.57 177.92 2w53 h MET 93 N -0.13 0.31 -0.22 1.57 2.07 -0.88 -1.82 114.93 115.84 2w53 h MET 93 Ca 0.00 -0.10 -0.01 0.00 -2.07 0.00 0.00 59.70 57.53 2w53 h MET 93 Cb 0.15 -0.03 -0.01 0.00 -1.87 0.00 0.00 31.60 29.84 2w53 h MET 93 CO -0.00 0.52 0.11 0.82 1.07 0.00 0.00 176.91 179.43 2w53 h ILE 94 N 0.07 1.14 0.00 -1.22 2.04 -0.88 -0.26 117.51 118.40 2w53 h ILE 94 Ca 0.05 -0.40 -0.04 0.00 1.00 0.00 0.00 64.86 65.47 2w53 h ILE 94 Cb 0.38 0.99 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 2w53 h ILE 94 CO 0.01 0.14 -0.17 0.45 0.00 0.00 0.00 178.15 178.58 2w53 h HIS 95 N 0.23 0.00 -0.06 1.37 3.86 -1.48 -1.44 115.15 117.64 2w53 h HIS 95 Ca 0.08 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.28 2w53 h HIS 95 Cb 0.12 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.59 2w53 h HIS 95 CO -0.02 0.17 -0.00 0.77 0.86 0.00 0.00 177.93 179.71 2w53 h SER 96 N 0.00 0.10 -0.77 2.45 0.02 -0.86 -1.55 113.55 112.94 2w53 h SER 96 Ca -0.00 -0.32 0.11 0.00 -0.84 0.00 0.00 61.79 60.74 2w53 h SER 96 Cb 0.38 -0.03 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 2w53 h SER 96 CO 0.02 0.39 0.38 -0.26 -1.14 0.00 0.00 176.83 176.23 2w53 h PHE 97 N -0.20 0.68 -0.18 3.45 0.04 -0.72 -0.65 116.94 119.36 2w53 h PHE 97 Ca 0.02 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.80 2w53 h PHE 97 Cb 0.34 -0.19 -0.01 0.00 2.20 0.00 0.00 35.95 38.30 2w53 h PHE 97 CO 0.04 0.21 0.04 0.82 -0.60 0.00 0.00 178.31 178.82 2w53 h ILE 98 N 0.61 1.21 -0.74 -0.55 2.04 -1.25 0.09 117.51 118.93 2w53 h ILE 98 Ca 0.39 -0.69 0.04 0.00 1.00 0.00 0.00 64.86 65.61 2w53 h ILE 98 Cb 0.47 1.32 -0.05 0.00 -0.74 0.00 0.00 36.82 37.82 2w53 h ILE 98 CO -0.31 0.21 0.45 -0.08 0.00 0.00 0.00 178.15 178.43 2w53 h GLU 99 N 0.10 0.83 -0.55 2.37 4.81 -0.95 0.57 114.58 121.77 2w53 h GLU 99 Ca 0.06 -0.05 -0.11 0.00 -0.13 0.00 0.00 59.36 59.12 2w53 h GLU 99 Cb 0.29 -0.19 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 2w53 h GLU 99 CO 0.00 0.55 -0.09 -0.07 -0.73 0.00 0.00 179.01 178.67 2w53 h LEU 100 N 0.86 1.02 -0.90 1.64 3.38 -1.00 0.24 115.31 120.56 2w53 h LEU 100 Ca 0.31 -0.33 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 2w53 h LEU 100 Cb 0.09 -0.28 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 2w53 h LEU 100 CO -0.14 1.12 0.52 -1.28 0.09 0.00 0.00 178.44 178.75 2w53 h SER 101 N 0.91 1.09 0.04 -0.43 0.87 -0.51 -3.32 113.55 112.21 2w53 h SER 101 Ca 0.14 -0.08 0.00 0.00 -1.23 0.00 0.00 61.79 60.62 2w53 h SER 101 Cb 0.66 -0.28 0.00 0.00 -0.44 0.00 0.00 62.40 62.34 2w53 h SER 101 CO 0.05 0.86 -1.57 -0.62 -0.53 0.00 0.00 176.83 175.02 2w53 n GLU 102 N -4.37 0.40 -3.68 2.24 -0.58 0.15 -4.77 120.64 110.03 2w53 n GLU 102 Ca 0.10 -0.11 -0.39 0.00 -0.42 0.00 0.00 57.16 56.34 2w53 n GLU 102 Cb 0.07 -1.52 -0.11 0.00 -0.57 0.00 0.00 31.44 29.31 2w53 n GLU 102 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2w53 s ASP 103 N -3.95 5.48 0.19 1.62 -1.08 0.82 -4.98 116.67 114.76 2w53 s ASP 103 Ca -0.01 -1.41 -0.11 0.00 -0.52 0.00 0.00 52.55 50.50 2w53 s ASP 103 Cb 0.15 -1.93 0.10 0.00 -1.46 0.00 0.00 42.92 39.79 2w53 s ASP 103 CO 0.89 -0.45 1.77 1.05 0.52 0.00 0.00 175.17 178.95 2w53 h GLU 104 N 8.30 0.95 0.11 4.34 9.09 -1.86 -0.13 114.58 135.39 2w53 h GLU 104 Ca -0.22 -0.14 0.00 0.00 0.05 0.00 0.00 59.36 59.05 2w53 h GLU 104 Cb 1.08 -0.17 -0.01 0.00 -1.65 0.00 0.00 28.75 28.00 2w53 h GLU 104 CO 0.69 0.76 -0.11 -0.09 0.05 0.00 0.00 179.01 180.31 2w53 h ARG 105 N 0.91 -0.24 -0.52 1.06 2.43 -1.95 0.11 114.38 116.18 2w53 h ARG 105 Ca 0.23 0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.46 2w53 h ARG 105 Cb 0.12 0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 29.68 2w53 h ARG 105 CO -0.03 -0.16 0.27 1.25 -1.51 0.00 0.00 179.97 179.79 2w53 h LEU 106 N -0.25 0.38 -0.37 3.80 5.85 -1.86 -2.02 115.31 120.85 2w53 h LEU 106 Ca 0.00 0.03 -0.03 0.00 0.84 0.00 0.00 57.88 58.72 2w53 h LEU 106 Cb 0.24 -0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.21 2w53 h LEU 106 CO -0.03 0.26 0.12 -0.09 -0.34 0.00 0.00 178.44 178.37 2w53 h ARG 107 N 0.52 0.58 -0.13 1.25 2.43 -0.70 -1.59 114.38 116.73 2w53 h ARG 107 Ca 0.23 -0.12 -0.07 0.00 -0.81 0.00 0.00 59.98 59.21 2w53 h ARG 107 Cb 0.14 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.59 2w53 h ARG 107 CO -0.16 0.58 -0.23 -0.22 -1.51 0.00 0.00 179.97 178.44 2w53 h LYS 108 N 0.46 0.23 -0.23 0.20 1.63 -0.72 0.19 116.57 118.33 2w53 h LYS 108 Ca 0.12 -0.07 -0.17 0.00 -0.85 0.00 0.00 60.65 59.69 2w53 h LYS 108 Cb 0.24 -0.02 -0.00 0.00 -0.60 0.00 0.00 32.23 31.84 2w53 h LYS 108 CO -0.01 0.45 -0.53 1.15 -3.45 0.00 0.00 179.45 177.07 2w53 h THR 109 N 0.21 1.30 -0.78 1.00 2.02 -1.24 -0.79 112.91 114.64 2w53 h THR 109 Ca 0.04 -1.75 0.10 0.00 0.77 0.00 0.00 66.41 65.57 2w53 h THR 109 Cb 0.53 1.70 -0.08 0.00 -1.74 0.00 0.00 68.15 68.56 2w53 h THR 109 CO 0.04 0.55 0.41 -0.03 0.37 0.00 0.00 175.52 176.86 2w53 h MET 110 N 0.51 0.65 -0.40 6.66 1.85 -0.77 -2.02 114.93 121.41 2w53 h MET 110 Ca 0.02 -0.04 -0.06 0.00 -0.61 0.00 0.00 59.70 59.00 2w53 h MET 110 Cb 1.09 -0.15 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 2w53 h MET 110 CO 0.11 0.43 0.00 0.93 -0.40 0.00 0.00 176.91 177.98 2w53 h GLU 111 N 0.67 0.71 -0.85 0.39 5.08 -0.47 -1.23 114.58 118.89 2w53 h GLU 111 Ca 0.39 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 2w53 h GLU 111 Cb 0.42 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 2w53 h GLU 111 CO -0.28 0.79 0.51 -0.84 -1.00 0.00 0.00 179.01 178.19 2w53 h ILE 112 N 0.54 1.23 -0.34 3.13 3.07 -0.96 -1.92 117.51 122.25 2w53 h ILE 112 Ca 0.11 -0.52 -0.01 0.00 1.55 0.00 0.00 64.86 66.00 2w53 h ILE 112 Cb 0.47 0.04 -0.02 0.00 -0.27 0.00 0.00 36.82 37.05 2w53 h ILE 112 CO 0.02 0.25 0.17 -0.03 -1.05 0.00 0.00 178.15 177.51 2w53 h MET 113 N 1.17 0.49 0.18 0.16 4.05 -0.89 -3.19 114.93 116.90 2w53 h MET 113 Ca 0.30 -0.07 -0.32 0.00 -0.28 0.00 0.00 59.70 59.33 2w53 h MET 113 Cb -0.04 -0.09 0.01 0.00 -0.80 0.00 0.00 31.60 30.68 2w53 h MET 113 CO -0.06 0.43 -1.53 -0.07 0.23 0.00 0.00 176.91 175.91 2w53 h LEU 114 N 0.42 0.59 -3.94 3.39 3.38 -1.07 -3.35 115.31 114.73 2w53 h LEU 114 Ca 0.12 -0.74 -0.50 0.00 0.09 0.00 0.00 57.88 56.85 2w53 h LEU 114 Cb 0.10 -0.19 -0.29 0.00 0.09 0.00 0.00 40.66 40.36 2w53 h LEU 114 CO -0.02 1.60 0.60 -2.11 0.09 0.00 0.00 178.44 178.61 2w53 n ARG 115 N -3.58 2.24 0.00 1.13 -4.01 -0.74 -5.11 116.66 106.60 2w53 n ARG 115 Ca -0.17 -3.05 0.00 0.00 -1.04 0.00 0.00 57.85 53.59 2w53 n ARG 115 Cb 1.07 -2.16 0.00 0.00 -3.04 0.00 0.00 32.46 28.33 2w53 n ARG 115 CO 0.00 0.00 0.00 -1.13 -3.04 0.00 0.00 177.63 173.46 2w53 n SER 116 N -1.13 0.00 0.00 2.89 3.41 -1.20 -5.00 113.62 112.58 2w53 n SER 116 Ca 0.58 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 59.19 2w53 n SER 116 Cb 1.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.51 2w53 n SER 116 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 2w53 n THR 126 N 0.00 0.00 0.24 6.66 5.66 -1.26 -5.15 114.28 120.44 2w53 n THR 126 Ca 0.00 0.00 0.10 0.00 -3.05 0.00 0.00 64.05 61.10 2w53 n THR 126 Cb 0.00 0.00 0.63 0.00 -1.55 0.00 0.00 70.33 69.41 2w53 n THR 126 CO 0.00 0.00 0.00 -0.33 -3.05 0.00 0.00 175.07 171.69 2w53 h GLU 127 N 0.00 0.00 -0.39 1.09 5.08 -2.03 -2.13 114.58 116.21 2w53 h GLU 127 Ca 0.00 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.21 2w53 h GLU 127 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2w53 h GLU 127 CO 0.00 0.16 -0.35 0.52 -1.00 0.00 0.00 179.01 178.35 2w53 h MET 128 N 0.00 0.93 -0.24 2.33 2.86 -1.99 -1.62 114.93 117.20 2w53 h MET 128 Ca -0.00 -0.47 -0.06 0.00 -2.06 0.00 0.00 59.70 57.10 2w53 h MET 128 Cb 0.37 0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.04 2w53 h MET 128 CO 0.02 1.13 -0.09 1.96 1.06 0.00 0.00 176.91 180.99 2w53 h GLN 129 N 0.75 0.48 -0.07 1.72 4.20 -1.75 -1.30 115.11 119.14 2w53 h GLN 129 Ca 0.07 -0.20 0.04 0.00 0.06 0.00 0.00 58.65 58.61 2w53 h GLN 129 Cb 0.94 -0.02 -0.04 0.00 0.30 0.00 0.00 27.48 28.66 2w53 h GLN 129 CO 0.09 0.73 -0.18 1.96 -0.67 0.00 0.00 178.83 180.76 2w53 h GLN 130 N 0.21 -0.25 -0.61 1.46 4.20 -1.33 0.20 115.11 119.00 2w53 h GLN 130 Ca 0.06 0.02 0.04 0.00 0.06 0.00 0.00 58.65 58.82 2w53 h GLN 130 Cb 0.57 0.06 -0.04 0.00 0.30 0.00 0.00 27.48 28.37 2w53 h GLN 130 CO 0.03 -0.17 0.35 0.00 -0.67 0.00 0.00 178.83 178.38 2w53 h ALA 131 N 0.71 0.80 -0.47 3.87 0.00 -1.28 -1.24 119.26 121.66 2w53 h ALA 131 Ca 0.08 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 2w53 h ALA 131 Cb 0.37 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 2w53 h ALA 131 CO -0.22 0.06 0.19 0.78 0.00 0.00 0.00 179.25 180.05 2w53 h GLY 132 N 0.68 0.75 0.75 0.00 0.00 -0.53 -0.61 103.07 104.11 2w53 h GLY 132 Ca 0.26 -0.41 0.03 0.00 0.00 0.00 0.00 47.33 47.21 2w53 h GLY 132 CO -0.14 0.38 0.11 0.74 0.00 0.00 0.00 176.54 177.64 2w53 h PHE 133 N 0.61 0.19 -0.14 5.60 -1.00 -0.44 -1.34 116.94 120.43 2w53 h PHE 133 Ca 0.16 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.96 2w53 h PHE 133 Cb 0.19 -0.04 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 2w53 h PHE 133 CO 0.00 0.09 0.08 0.00 -1.61 0.00 0.00 178.31 176.87 2w53 h ARG 134 N 0.24 0.16 -0.30 1.51 3.08 -0.86 -0.61 114.38 117.60 2w53 h ARG 134 Ca 0.14 -0.01 0.07 0.00 0.07 0.00 0.00 59.98 60.25 2w53 h ARG 134 Cb 0.10 -0.04 -0.08 0.00 0.08 0.00 0.00 29.97 30.04 2w53 h ARG 134 CO -0.14 0.10 -0.22 -0.44 -1.07 0.00 0.00 179.97 178.20 2w53 h ASP 135 N 0.16 -0.73 -0.58 7.04 3.32 -0.98 -0.99 116.42 123.67 2w53 h ASP 135 Ca 0.05 0.14 -0.03 0.00 0.02 0.00 0.00 57.03 57.22 2w53 h ASP 135 Cb -0.00 0.36 -0.03 0.00 0.22 0.00 0.00 39.33 39.88 2w53 h ASP 135 CO -0.03 -0.26 0.24 0.00 -1.72 0.00 0.00 179.24 177.47 2w53 h ALA 136 N 0.93 0.75 -0.60 3.45 0.00 -0.98 -2.68 119.26 120.13 2w53 h ALA 136 Ca 0.16 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.89 2w53 h ALA 136 Cb 0.44 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 2w53 h ALA 136 CO -0.42 0.36 0.31 -0.07 0.00 0.00 0.00 179.25 179.43 2w53 h LEU 137 N 0.80 0.76 -0.22 0.00 3.38 -0.91 -1.35 115.31 117.77 2w53 h LEU 137 Ca 0.19 -0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.09 2w53 h LEU 137 Cb 0.19 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 2w53 h LEU 137 CO -0.02 0.65 -0.03 -0.78 0.09 0.00 0.00 178.44 178.36 2w53 h ASP 138 N 0.81 -0.14 -0.42 -0.43 3.58 -1.00 0.34 116.42 119.15 2w53 h ASP 138 Ca 0.21 0.06 -0.12 0.00 0.42 0.00 0.00 57.03 57.60 2w53 h ASP 138 Cb 0.08 0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2w53 h ASP 138 CO -0.03 -0.04 -0.20 0.03 -2.88 0.00 0.00 179.24 176.12 2w53 h ARG 139 N 0.04 0.88 -0.46 0.28 3.08 -1.31 -0.16 114.38 116.73 2w53 h ARG 139 Ca 0.11 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 2w53 h ARG 139 Cb 0.15 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.15 2w53 h ARG 139 CO -0.20 1.03 0.25 0.52 -1.07 0.00 0.00 179.97 180.50 2w53 h MET 140 N 0.71 0.63 -0.89 0.04 2.86 -1.13 -1.41 114.93 115.74 2w53 h MET 140 Ca 0.10 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.68 2w53 h MET 140 Cb 0.76 -0.13 -0.05 0.00 0.06 0.00 0.00 31.60 32.25 2w53 h MET 140 CO 0.06 0.50 0.59 1.49 1.06 0.00 0.00 176.91 180.61 2w53 h GLU 141 N 0.60 1.14 -0.28 1.72 4.81 -0.67 -1.15 114.58 120.75 2w53 h GLU 141 Ca 0.16 -0.07 -0.11 0.00 -0.13 0.00 0.00 59.36 59.22 2w53 h GLU 141 Cb 0.05 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.16 2w53 h GLU 141 CO -0.03 0.75 -0.27 0.00 -0.73 0.00 0.00 179.01 178.73 2w53 h ARG 142 N 1.17 0.55 -0.30 1.92 3.08 -0.56 0.24 114.38 120.48 2w53 h ARG 142 Ca 0.33 -0.22 -0.08 0.00 0.07 0.00 0.00 59.98 60.08 2w53 h ARG 142 Cb -0.09 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 29.93 2w53 h ARG 142 CO -0.08 0.77 -0.11 0.00 -1.07 0.00 0.00 179.97 179.48 2w53 h ALA 143 N 1.23 0.42 0.00 0.04 0.00 -0.76 -1.82 119.26 118.37 2w53 h ALA 143 Ca 0.07 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 2w53 h ALA 143 Cb 0.72 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 2w53 h ALA 143 CO 0.06 0.28 -0.33 -0.07 0.00 0.00 0.00 179.25 179.18 2w53 h LEU 144 N 0.37 0.00 -0.53 0.00 3.38 -1.04 -0.90 115.31 116.59 2w53 h LEU 144 Ca 0.07 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 2w53 h LEU 144 Cb 0.61 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.35 2w53 h LEU 144 CO 0.04 0.33 -0.55 0.03 0.09 0.00 0.00 178.44 178.38 2w53 h ARG 145 N 0.00 0.52 -0.30 1.13 3.08 -0.21 -0.87 114.38 117.73 2w53 h ARG 145 Ca -0.00 -0.33 -0.06 0.00 0.07 0.00 0.00 59.98 59.66 2w53 h ARG 145 Cb 0.66 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 2w53 h ARG 145 CO 0.04 0.94 -0.04 -0.09 -1.07 0.00 0.00 179.97 179.75 2w53 h ARG 146 N 0.40 0.55 -0.69 0.04 9.65 -1.09 -1.45 114.38 121.79 2w53 h ARG 146 Ca 0.01 -0.20 0.13 0.00 -1.10 0.00 0.00 59.98 58.82 2w53 h ARG 146 Cb 1.09 -0.04 -0.09 0.00 -1.39 0.00 0.00 29.97 29.54 2w53 h ARG 146 CO 0.10 0.73 0.24 0.00 2.80 0.00 0.00 179.97 183.84 2w53 h ALA 147 N 0.81 0.92 -0.63 2.80 0.00 -1.08 0.07 119.26 122.15 2w53 h ALA 147 Ca 0.08 0.11 -0.08 0.00 0.00 0.00 0.00 54.91 55.03 2w53 h ALA 147 Cb 0.50 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.37 2w53 h ALA 147 CO 0.02 -0.23 0.08 -0.09 0.00 0.00 0.00 179.25 179.03 2w53 h ARG 148 N 0.39 1.04 -0.18 0.00 2.43 -1.05 0.27 114.38 117.28 2w53 h ARG 148 Ca 0.37 -0.28 -0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2w53 h ARG 148 Cb 0.54 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.95 2w53 h ARG 148 CO -0.39 0.97 -0.15 -0.44 -1.51 0.00 0.00 179.97 178.45 2w53 h ASP 149 N 0.98 0.28 -0.30 -3.80 3.32 -0.44 -2.33 116.42 114.12 2w53 h ASP 149 Ca 0.19 -0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.18 2w53 h ASP 149 Cb 0.45 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.92 2w53 h ASP 149 CO 0.01 0.46 0.00 0.18 -1.72 0.00 0.00 179.24 178.17 2w53 n LEU 150 N -4.24 1.88 -0.93 1.55 4.32 -0.06 -4.94 117.00 114.58 2w53 n LEU 150 Ca -0.00 -0.89 -0.11 0.00 -0.02 0.00 0.00 56.01 54.99 2w53 n LEU 150 Cb 0.30 -0.20 -0.03 0.00 -1.62 0.00 0.00 43.42 41.86 2w53 n LEU 150 CO 0.39 0.44 -0.11 0.61 -1.22 0.00 0.00 177.39 177.50 2w53 n GLY 151 N 1.11 0.83 0.10 -0.72 0.00 -0.88 -4.93 105.19 100.69 2w53 n GLY 151 Ca 0.14 -0.51 0.12 0.00 0.00 0.00 0.00 46.02 45.76 2w53 n GLY 151 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2w53 n GLN 152 N -2.50 0.28 -3.50 1.61 6.02 0.89 -4.90 117.38 115.28 2w53 n GLN 152 Ca -0.11 -0.19 -0.31 0.00 -0.01 0.00 0.00 57.00 56.37 2w53 n GLN 152 Cb 0.42 -1.50 -0.05 0.00 1.02 0.00 0.00 30.24 30.14 2w53 n GLN 152 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 2w53 s LEU 153 N -2.85 4.19 0.79 1.08 1.43 -1.24 -0.93 118.68 121.14 2w53 s LEU 153 Ca 0.14 0.77 -0.11 0.00 -1.03 0.00 0.00 54.13 53.89 2w53 s LEU 153 Cb 0.18 -3.53 0.07 0.00 0.03 0.00 0.00 46.19 42.93 2w53 s LEU 153 CO 0.70 -0.05 1.09 0.00 0.23 0.00 0.00 176.35 178.32 2w53 s ARG 154 N -2.88 2.11 0.21 1.70 1.70 -0.11 -4.56 118.95 117.13 2w53 s ARG 154 Ca 0.45 0.75 -0.31 0.00 -0.47 0.00 0.00 55.73 56.15 2w53 s ARG 154 Cb -0.11 -1.91 -0.11 0.00 -0.57 0.00 0.00 34.95 32.24 2w53 s ARG 154 CO 0.24 -1.63 1.62 -2.00 -1.08 0.00 0.00 175.30 172.44 2w53 s GLU 155 N -5.09 4.17 0.00 3.89 2.12 -1.26 -1.80 118.70 120.73 2w53 s GLU 155 Ca 0.61 2.49 0.00 0.00 0.36 0.00 0.00 54.97 58.42 2w53 s GLU 155 Cb -0.15 -3.10 0.00 0.00 0.26 0.00 0.00 34.13 31.14 2w53 s GLU 155 CO 0.55 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 175.03 2w53 n GLY 156 N 3.37 1.86 3.69 -1.50 0.00 -1.26 -5.01 105.19 106.34 2w53 n GLY 156 Ca 0.13 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.73 2w53 n GLY 156 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2w53 s ALA 157 N -3.42 3.72 -0.31 4.61 0.00 -0.75 -4.97 121.76 120.65 2w53 s ALA 157 Ca 0.00 1.30 -0.17 0.00 0.00 0.00 0.00 51.96 53.10 2w53 s ALA 157 Cb 0.00 -3.72 -0.02 0.00 0.00 0.00 0.00 23.12 19.38 2w53 s ALA 157 CO 0.00 -1.14 0.46 0.34 0.00 0.00 0.00 175.76 175.43 2w53 s ASP 158 N 2.46 6.31 0.47 0.00 -1.08 -1.26 -4.95 116.67 118.63 2w53 s ASP 158 Ca 0.76 0.16 0.12 0.00 -0.52 0.00 0.00 52.55 53.08 2w53 s ASP 158 Cb -0.42 -2.25 1.10 0.00 -1.46 0.00 0.00 42.92 39.89 2w53 s ASP 158 CO 0.34 -0.34 2.11 -0.65 0.52 0.00 0.00 175.17 177.14 2w53 h PRO 159 N 8.28 0.22 -0.42 4.34 0.11 -1.92 -0.91 132.00 141.69 2w53 h PRO 159 Ca -0.29 -0.01 -0.15 0.00 0.11 0.00 0.00 66.00 65.66 2w53 h PRO 159 Cb 1.14 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.19 2w53 h PRO 159 CO 0.72 0.15 -0.31 -0.22 -0.21 0.00 0.00 178.00 178.13 2w53 h LYS 160 N 0.22 0.96 -0.20 1.05 3.64 -1.93 -1.31 116.57 119.01 2w53 h LYS 160 Ca 0.06 -0.46 -0.07 0.00 -1.27 0.00 0.00 60.65 58.91 2w53 h LYS 160 Cb -0.02 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2w53 h LYS 160 CO -0.01 1.13 -0.13 0.82 -2.27 0.00 0.00 179.45 178.98 2w53 h ILE 161 N 0.79 1.32 -0.94 2.00 2.04 -1.88 -2.46 117.51 118.38 2w53 h ILE 161 Ca 0.08 -1.24 0.05 0.00 1.00 0.00 0.00 64.86 64.76 2w53 h ILE 161 Cb 0.90 1.70 -0.06 0.00 -0.74 0.00 0.00 36.82 38.61 2w53 h ILE 161 CO 0.08 0.38 0.61 0.00 0.00 0.00 0.00 178.15 179.21 2w53 h ALA 162 N 0.68 1.29 -0.64 1.87 0.00 -1.14 0.09 119.26 121.40 2w53 h ALA 162 Ca 0.04 -0.03 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2w53 h ALA 162 Cb 0.65 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 2w53 h ALA 162 CO 0.04 0.42 0.06 0.00 0.00 0.00 0.00 179.25 179.76 2w53 h ALA 163 N 1.42 0.88 -0.53 0.00 0.00 -1.22 -0.99 119.26 118.81 2w53 h ALA 163 Ca 0.40 -0.29 -0.05 0.00 0.00 0.00 0.00 54.91 54.97 2w53 h ALA 163 Cb 0.11 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 2w53 h ALA 163 CO -0.15 0.67 0.15 -0.09 0.00 0.00 0.00 179.25 179.83 2w53 h ARG 164 N 1.02 0.84 -0.62 0.00 2.43 -0.83 -1.35 114.38 115.87 2w53 h ARG 164 Ca 0.19 -0.19 -0.08 0.00 -0.81 0.00 0.00 59.98 59.09 2w53 h ARG 164 Cb 0.50 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.91 2w53 h ARG 164 CO 0.02 0.78 0.07 0.52 -1.51 0.00 0.00 179.97 179.85 2w53 h MET 165 N 0.74 1.05 -0.60 0.20 2.86 -0.81 -1.36 114.93 117.01 2w53 h MET 165 Ca 0.17 -0.30 -0.10 0.00 -2.06 0.00 0.00 59.70 57.41 2w53 h MET 165 Cb 0.31 -0.11 -0.02 0.00 0.06 0.00 0.00 31.60 31.83 2w53 h MET 165 CO -0.00 0.99 -0.02 1.25 1.06 0.00 0.00 176.91 180.19 2w53 h LEU 166 N 0.95 1.06 -0.60 1.22 5.85 -1.00 -0.87 115.31 121.92 2w53 h LEU 166 Ca 0.18 -0.31 -0.06 0.00 0.84 0.00 0.00 57.88 58.53 2w53 h LEU 166 Cb 0.47 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2w53 h LEU 166 CO 0.02 1.11 0.13 -0.74 -0.34 0.00 0.00 178.44 178.62 2w53 h HIS 167 N 0.97 1.03 -0.16 1.25 2.76 -1.16 -1.75 115.15 118.10 2w53 h HIS 167 Ca 0.17 -0.13 -0.02 0.00 -2.20 0.00 0.00 60.37 58.19 2w53 h HIS 167 Cb 0.58 -0.29 -0.01 0.00 1.55 0.00 0.00 27.41 29.25 2w53 h HIS 167 CO 0.04 0.88 0.03 0.00 -1.30 0.00 0.00 177.93 177.58 2w53 h ALA 168 N 1.03 0.21 -0.52 5.26 0.00 -0.92 -0.11 119.26 124.21 2w53 h ALA 168 Ca 0.19 -0.16 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 2w53 h ALA 168 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2w53 h ALA 168 CO 0.01 -0.13 0.01 1.79 0.00 0.00 0.00 179.25 180.92 2w53 h THR 169 N 0.06 1.26 -0.33 0.00 1.35 -1.12 -0.79 112.91 113.34 2w53 h THR 169 Ca 0.05 -1.08 -0.05 0.00 -0.55 0.00 0.00 66.41 64.78 2w53 h THR 169 Cb 0.29 0.93 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 2w53 h THR 169 CO 0.00 0.38 0.01 0.58 -0.25 0.00 0.00 175.52 176.24 2w53 h VAL 170 N 0.79 1.26 -0.88 6.82 2.07 -1.33 -1.80 116.25 123.17 2w53 h VAL 170 Ca 0.15 -0.95 0.06 0.00 0.82 0.00 0.00 66.70 66.78 2w53 h VAL 170 Cb 0.52 1.22 -0.06 0.00 -1.52 0.00 0.00 31.29 31.44 2w53 h VAL 170 CO 0.03 0.31 0.55 0.25 0.02 0.00 0.00 177.57 178.73 2w53 h LEU 171 N 0.39 0.88 -0.53 2.57 5.85 -0.91 -0.16 115.31 123.40 2w53 h LEU 171 Ca 0.10 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.78 2w53 h LEU 171 Cb 0.44 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.27 2w53 h LEU 171 CO 0.02 0.57 0.15 1.23 -0.34 0.00 0.00 178.44 180.06 2w53 h GLY 172 N 1.01 0.90 0.88 3.75 0.00 -0.90 -0.59 103.07 108.12 2w53 h GLY 172 Ca 0.38 -0.55 0.01 0.00 0.00 0.00 0.00 47.33 47.18 2w53 h GLY 172 CO -0.17 0.51 0.05 -2.08 0.00 0.00 0.00 176.54 174.85 2w53 h VAL 173 N 0.74 0.96 -0.32 4.60 2.07 -0.98 0.97 116.25 124.29 2w53 h VAL 173 Ca 0.17 -0.04 0.06 0.00 0.82 0.00 0.00 66.70 67.71 2w53 h VAL 173 Cb 0.30 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 30.85 2w53 h VAL 173 CO -0.00 0.02 -0.01 -0.07 0.02 0.00 0.00 177.57 177.53 2w53 h LEU 174 N 0.12 -0.15 -0.72 2.57 3.38 -0.81 0.37 115.31 120.07 2w53 h LEU 174 Ca 0.06 0.08 -0.03 0.00 0.09 0.00 0.00 57.88 58.08 2w53 h LEU 174 Cb 0.04 0.14 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2w53 h LEU 174 CO -0.07 -0.04 0.32 0.45 0.09 0.00 0.00 178.44 179.19 2w53 h HIS 175 N 0.08 1.06 -0.45 1.13 3.86 -0.97 -1.84 115.15 118.03 2w53 h HIS 175 Ca 0.16 -0.06 -0.06 0.00 -1.16 0.00 0.00 60.37 59.25 2w53 h HIS 175 Cb 0.21 -0.32 -0.02 0.00 1.06 0.00 0.00 27.41 28.34 2w53 h HIS 175 CO -0.24 0.80 0.07 0.78 0.86 0.00 0.00 177.93 180.20 2w53 h GLY 176 N 1.02 0.81 1.56 2.45 0.00 -0.45 -1.57 103.07 106.88 2w53 h GLY 176 Ca 0.24 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 2w53 h GLY 176 CO -0.03 0.51 0.06 0.00 0.00 0.00 0.00 176.54 177.08 2w53 h ALA 177 N 0.94 1.41 -0.43 3.60 0.00 -0.83 0.05 119.26 124.00 2w53 h ALA 177 Ca 0.14 -0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.76 2w53 h ALA 177 Cb 0.39 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2w53 h ALA 177 CO 0.01 0.42 -0.17 1.98 0.00 0.00 0.00 179.25 181.49 2w53 h MET 178 N 0.55 0.88 -0.05 0.00 -1.53 -1.10 -2.81 114.93 110.87 2w53 h MET 178 Ca 0.12 -0.37 -0.09 0.00 -3.44 0.00 0.00 59.70 55.92 2w53 h MET 178 Cb 0.26 -0.03 0.00 0.00 -0.55 0.00 0.00 31.60 31.28 2w53 h MET 178 CO 0.00 1.02 -0.32 0.28 0.14 0.00 0.00 176.91 178.03 2w53 h VAL 179 N 0.71 1.44 -2.14 -5.77 2.07 -0.93 -3.42 116.25 108.21 2w53 h VAL 179 Ca 0.10 -1.77 -0.51 0.00 0.82 0.00 0.00 66.70 65.35 2w53 h VAL 179 Cb 0.73 2.40 -0.34 0.00 -1.52 0.00 0.00 31.29 32.56 2w53 h VAL 179 CO 0.06 0.50 -0.88 -0.70 0.02 0.00 0.00 177.57 176.57 2w53 s GLU 180 N -3.56 0.89 0.63 1.57 2.56 -0.03 -4.98 118.70 115.79 2w53 s GLU 180 Ca -0.14 -1.82 0.41 0.00 0.00 0.00 0.00 54.97 53.41 2w53 s GLU 180 Cb 0.03 -1.15 2.15 0.00 2.00 0.00 0.00 34.13 37.16 2w53 s GLU 180 CO 0.77 -1.36 2.28 -1.00 -0.56 0.00 0.00 175.26 175.39 2w53 h PRO 181 N 5.71 0.00 -0.10 4.30 0.13 -1.68 -0.75 132.00 139.60 2w53 h PRO 181 Ca 0.21 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 65.24 2w53 h PRO 181 Cb 0.95 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2w53 h PRO 181 CO 0.30 0.01 -0.38 0.93 -0.23 0.00 0.00 178.00 178.63 2w53 h GLU 182 N 0.00 0.22 0.00 0.86 4.39 -1.93 -3.33 114.58 114.78 2w53 h GLU 182 Ca -0.00 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.49 2w53 h GLU 182 Cb 0.12 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 2w53 h GLU 182 CO 0.00 0.57 -2.04 1.28 -1.16 0.00 0.00 179.01 177.66 2w53 n LEU 183 N -4.06 0.00 -3.97 1.33 4.77 -0.37 -4.90 117.00 109.80 2w53 n LEU 183 Ca -0.01 0.00 -0.27 0.00 -0.03 0.00 0.00 56.01 55.70 2w53 n LEU 183 Cb 0.45 0.15 -0.17 0.00 -2.33 0.00 0.00 43.42 41.52 2w53 n LEU 183 CO 0.41 0.15 -0.46 -0.32 -1.33 0.00 0.00 177.39 175.84 2w53 s MET 184 N -3.10 1.75 -0.23 3.23 1.75 -0.70 -5.06 119.30 116.93 2w53 s MET 184 Ca -0.08 -0.37 -0.06 0.00 -1.25 0.00 0.00 55.69 53.93 2w53 s MET 184 Cb 0.11 -1.63 -0.02 0.00 2.84 0.00 0.00 34.83 36.12 2w53 s MET 184 CO 0.82 -0.16 0.02 0.34 -0.65 0.00 0.00 175.02 175.39 2w53 s ASP 185 N 1.30 4.76 0.16 1.11 2.15 -1.26 -4.23 116.67 120.66 2w53 s ASP 185 Ca -0.02 -0.28 -0.17 0.00 0.43 0.00 0.00 52.55 52.51 2w53 s ASP 185 Cb -0.14 -1.84 0.08 0.00 -0.30 0.00 0.00 42.92 40.73 2w53 s ASP 185 CO -0.04 -0.02 1.69 0.25 -0.17 0.00 0.00 175.17 176.88 2w53 h LEU 186 N 8.12 -0.23 0.37 -1.34 6.46 -1.92 0.47 115.31 127.24 2w53 h LEU 186 Ca -0.39 0.10 -0.02 0.00 -0.12 0.00 0.00 57.88 57.44 2w53 h LEU 186 Cb 1.17 0.18 0.00 0.00 -0.73 0.00 0.00 40.66 41.28 2w53 h LEU 186 CO 0.59 -0.07 -0.18 0.11 -0.62 0.00 0.00 178.44 178.27 2w53 h LYS 187 N 0.06 -0.48 0.20 1.25 1.57 -1.95 0.24 116.57 117.46 2w53 h LYS 187 Ca 0.18 0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.98 2w53 h LYS 187 Cb 0.26 0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.68 2w53 h LYS 187 CO -0.33 -0.17 -0.10 -0.09 -0.57 0.00 0.00 179.45 178.19 2w53 h ARG 188 N -0.90 -0.26 0.00 3.15 2.43 -1.96 -1.99 114.38 114.84 2w53 h ARG 188 Ca -0.05 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.03 2w53 h ARG 188 Cb 0.54 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 2w53 h ARG 188 CO 0.08 -0.10 -0.52 -0.44 -1.51 0.00 0.00 179.97 177.48 2w53 h ASP 189 N -0.37 0.00 -0.25 -3.80 3.32 -0.17 -1.89 116.42 113.26 2w53 h ASP 189 Ca -0.03 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 56.93 2w53 h ASP 189 Cb 0.28 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.83 2w53 h ASP 189 CO 0.05 0.52 -0.22 1.23 -1.72 0.00 0.00 179.24 179.10 2w53 h GLY 190 N 3.05 0.64 1.13 2.75 0.00 -0.50 0.01 103.07 110.15 2w53 h GLY 190 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 47.33 46.58 2w53 h GLY 190 CO 0.07 0.58 -0.02 1.98 0.00 0.00 0.00 176.54 179.15 2w53 h MET 191 N 0.30 1.04 -0.32 4.80 1.85 -1.34 -1.03 114.93 120.23 2w53 h MET 191 Ca 0.04 -0.33 -0.00 0.00 -0.61 0.00 0.00 59.70 58.80 2w53 h MET 191 Cb 0.77 -0.09 -0.02 0.00 0.43 0.00 0.00 31.60 32.69 2w53 h MET 191 CO 0.06 1.02 0.20 1.25 -0.40 0.00 0.00 176.91 179.04 2w53 h LEU 192 N 0.94 0.37 -0.38 3.39 7.12 -1.19 -0.99 115.31 124.58 2w53 h LEU 192 Ca 0.17 -0.04 -0.00 0.00 0.13 0.00 0.00 57.88 58.14 2w53 h LEU 192 Cb 0.57 -0.09 -0.02 0.00 -0.53 0.00 0.00 40.66 40.59 2w53 h LEU 192 CO 0.03 0.30 0.23 0.00 -0.13 0.00 0.00 178.44 178.88 2w53 h ALA 193 N 1.09 0.48 -0.20 1.25 0.00 -0.90 0.39 119.26 121.37 2w53 h ALA 193 Ca 0.11 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.02 2w53 h ALA 193 Cb -0.01 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 2w53 h ALA 193 CO -0.02 -0.03 -0.13 1.25 0.00 0.00 0.00 179.25 180.31 2w53 h LEU 194 N 0.50 -0.43 -0.30 0.00 5.85 -1.08 -1.03 115.31 118.83 2w53 h LEU 194 Ca 0.14 0.09 -0.15 0.00 0.84 0.00 0.00 57.88 58.80 2w53 h LEU 194 Cb -0.01 0.22 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 2w53 h LEU 194 CO -0.03 -0.17 -0.38 0.44 -0.34 0.00 0.00 178.44 177.96 2w53 h ASP 195 N -0.13 0.85 -0.29 1.25 3.32 -1.01 -0.28 116.42 120.12 2w53 h ASP 195 Ca 0.11 -0.50 0.05 0.00 0.02 0.00 0.00 57.03 56.71 2w53 h ASP 195 Cb 0.30 -0.24 -0.04 0.00 0.22 0.00 0.00 39.33 39.57 2w53 h ASP 195 CO -0.28 1.18 0.03 -0.03 -1.72 0.00 0.00 179.24 178.42 2w53 h MET 196 N 0.54 0.12 -0.17 3.56 1.85 -0.90 -0.50 114.93 119.43 2w53 h MET 196 Ca 0.04 -0.01 -0.03 0.00 -0.61 0.00 0.00 59.70 59.09 2w53 h MET 196 Cb 0.97 -0.03 -0.01 0.00 0.43 0.00 0.00 31.60 32.97 2w53 h MET 196 CO 0.09 0.08 0.00 1.15 -0.40 0.00 0.00 176.91 177.83 2w53 h THR 197 N 0.12 1.25 -0.96 -0.77 2.02 -1.07 -2.93 112.91 110.57 2w53 h THR 197 Ca 0.14 -0.84 0.08 0.00 0.77 0.00 0.00 66.41 66.56 2w53 h THR 197 Cb 0.17 1.48 -0.07 0.00 -1.74 0.00 0.00 68.15 67.98 2w53 h THR 197 CO -0.21 0.25 0.61 -0.07 0.37 0.00 0.00 175.52 176.47 2w53 h LEU 198 N 0.04 0.95 -2.14 2.58 3.38 -1.01 -2.09 115.31 117.02 2w53 h LEU 198 Ca 0.05 0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 2w53 h LEU 198 Cb 0.37 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 2w53 h LEU 198 CO 0.01 0.58 -0.07 0.00 0.09 0.00 0.00 178.44 179.05 2w53 h ALA 199 N 1.46 1.44 0.00 1.53 0.00 -0.91 0.31 119.26 123.09 2w53 h ALA 199 Ca 0.43 -0.06 -0.07 0.00 0.00 0.00 0.00 54.91 55.21 2w53 h ALA 199 Cb 0.25 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 2w53 h ALA 199 CO -0.20 0.09 -0.33 0.00 0.00 0.00 0.00 179.25 178.81 2w53 h ALA 200 N 1.93 1.05 0.00 0.00 0.00 -1.20 -3.35 119.26 117.69 2w53 h ALA 200 Ca -0.00 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.61 2w53 h ALA 200 Cb 0.18 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.91 2w53 h ALA 200 CO 0.01 0.41 -0.31 0.66 0.00 0.00 0.00 179.25 180.02 2w53 n TYR 201 N -3.55 0.00 -4.36 0.00 4.01 -0.33 -4.95 117.16 107.98 2w53 n TYR 201 Ca -0.00 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.39 2w53 n TYR 201 Cb 0.47 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.39 2w53 n TYR 201 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2w53 s VAL 202 N -1.30 4.18 0.42 -0.72 1.01 0.93 -0.93 120.40 123.99 2w53 s VAL 202 Ca 0.00 -0.28 -0.24 0.00 0.00 0.00 0.00 61.98 61.46 2w53 s VAL 202 Cb 0.00 -2.80 -0.10 0.00 0.00 0.00 0.00 36.38 33.48 2w53 s VAL 202 CO 0.00 0.55 1.01 0.29 0.00 0.00 0.00 175.10 176.95 2w53 n LYS 203 N 2.80 1.35 -1.78 2.72 4.76 -0.11 -4.67 118.16 123.23 2w53 n LYS 203 Ca -0.18 0.49 -0.38 0.00 -2.87 0.00 0.00 58.31 55.36 2w53 n LYS 203 Cb 0.53 -2.05 0.04 0.00 -1.84 0.00 0.00 35.03 31.71 2w53 n LYS 203 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2w53 s ASP 204 N -0.75 5.28 0.00 4.39 1.01 -1.26 -3.07 116.67 122.27 2w53 s ASP 204 Ca 0.63 2.78 0.00 0.00 0.71 0.00 0.00 52.55 56.67 2w53 s ASP 204 Cb -0.55 -2.64 0.00 0.00 1.01 0.00 0.00 42.92 40.74 2w53 s ASP 204 CO 0.57 -1.57 0.00 0.61 0.21 0.00 0.00 175.17 174.99 2w53 n GLY 205 N 0.72 0.52 0.13 0.21 0.00 -1.26 -4.88 105.19 100.63 2w53 n GLY 205 Ca 0.10 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.93 2w53 n GLY 205 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2w53 h VAL 206 N 0.00 0.86 -4.22 1.61 2.07 -1.92 -3.47 116.25 111.18 2w53 h VAL 206 Ca 0.00 -2.54 -0.12 0.00 0.82 0.00 0.00 66.70 64.86 2w53 h VAL 206 Cb 0.00 2.63 -0.15 0.00 -1.52 0.00 0.00 31.29 32.26 2w53 h VAL 206 CO 0.00 0.82 -0.65 0.72 0.02 0.00 0.00 177.57 178.49 2w53 s PHE 207 N -2.58 0.53 -0.40 1.57 -0.12 -1.26 -4.88 117.98 110.84 2w53 s PHE 207 Ca -0.15 -1.04 -0.16 0.00 -0.05 0.00 0.00 56.93 55.53 2w53 s PHE 207 Cb 0.06 -0.37 0.01 0.00 -0.63 0.00 0.00 43.02 42.10 2w53 s PHE 207 CO 0.82 -0.41 0.36 0.08 -0.05 0.00 0.00 175.22 176.01 2w53 s VAL 208 N -3.93 5.18 0.47 -2.49 1.01 -1.26 -5.04 120.40 114.33 2w53 s VAL 208 Ca 0.09 -0.37 -0.25 0.00 0.00 0.00 0.00 61.98 61.45 2w53 s VAL 208 Cb 0.08 -3.93 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 2w53 s VAL 208 CO -0.09 -0.29 1.40 -2.84 0.00 0.00 0.00 175.10 173.29 2w53 s PRO 209 N 1.92 3.60 0.00 2.72 0.02 -1.26 -2.96 135.00 139.04 2w53 s PRO 209 Ca 0.09 2.35 0.00 0.00 0.02 0.00 0.00 61.00 63.46 2w53 s PRO 209 Cb -0.18 -2.58 0.00 0.00 0.02 0.00 0.00 34.50 31.76 2w53 s PRO 209 CO 0.12 -0.86 0.00 0.41 -0.33 0.00 0.00 177.00 176.33 2w53 n GLY 210 N 0.61 1.09 3.89 0.52 0.00 -1.26 -5.03 105.19 105.01 2w53 n GLY 210 Ca 0.06 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.76 2w53 n GLY 210 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2w53 s THR 211 N -3.03 5.12 -0.46 2.61 -4.23 -1.16 -5.05 115.64 109.44 2w53 s THR 211 Ca 0.00 0.19 -0.19 0.00 -1.18 0.00 0.00 61.69 60.51 2w53 s THR 211 Cb 0.00 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.25 2w53 s THR 211 CO 0.00 0.08 0.58 -0.69 -0.54 0.00 0.00 174.62 174.05 2w53 s VAL 212 N -1.62 4.92 0.76 2.29 1.01 -1.26 -5.06 120.40 121.44 2w53 s VAL 212 Ca 0.40 -0.24 -0.11 0.00 0.00 0.00 0.00 61.98 62.02 2w53 s VAL 212 Cb -0.12 -4.19 0.05 0.00 0.00 0.00 0.00 36.38 32.11 2w53 s VAL 212 CO 0.23 -0.63 1.09 -2.16 0.00 0.00 0.00 175.10 173.63 2w53 s PRO 213 N 2.56 2.37 0.48 2.72 0.04 -1.26 -5.01 135.00 136.89 2w53 s PRO 213 Ca 0.17 0.61 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 2w53 s PRO 213 Cb -0.17 -1.95 -0.07 0.00 0.04 0.00 0.00 34.50 32.35 2w53 s PRO 213 CO 0.15 -1.41 1.19 -1.21 0.04 0.00 0.00 177.00 175.76 2w53 s GLU 214 N -5.21 3.64 0.75 4.56 8.01 -1.26 -4.97 118.70 124.22 2w53 s GLU 214 Ca 0.60 1.84 -0.14 0.00 0.01 0.00 0.00 54.97 57.27 2w53 s GLU 214 Cb -0.13 -2.36 0.05 0.00 -4.31 0.00 0.00 34.13 27.38 2w53 s GLU 214 CO 0.54 -0.67 1.20 -1.25 0.01 0.00 0.00 175.26 175.09 2w53 s PRO 215 N -2.76 2.00 0.31 0.39 0.04 -1.26 -4.85 135.00 128.87 2w53 s PRO 215 Ca 0.65 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 63.14 2w53 s PRO 215 Cb -0.30 -1.82 -0.10 0.00 0.04 0.00 0.00 34.50 32.32 2w53 s PRO 215 CO 0.36 -1.94 1.41 -1.17 0.04 0.00 0.00 177.00 175.70 2w53 s LEU 216 N -5.33 4.38 0.00 -3.56 2.96 -1.26 -5.09 118.68 110.78 2w53 s LEU 216 Ca 0.74 2.78 0.00 0.00 -0.22 0.00 0.00 54.13 57.42 2w53 s LEU 216 Cb -0.29 -3.64 0.00 0.00 0.50 0.00 0.00 46.19 42.76 2w53 s LEU 216 CO 0.47 -0.69 0.00 -0.81 -1.32 0.00 0.00 176.35 174.00