#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f22 s ASP 2 N 0.00 6.17 -0.09 1.61 2.15 -1.26 -4.90 116.67 120.35 2f22 s ASP 2 Ca 0.00 -1.43 0.16 0.00 0.43 0.00 0.00 52.55 51.70 2f22 s ASP 2 Cb 0.00 -2.21 0.62 0.00 -0.30 0.00 0.00 42.92 41.03 2f22 s ASP 2 CO 0.00 -0.76 1.50 0.35 -0.17 0.00 0.00 175.17 176.10 2f22 n THR 3 N 5.27 1.52 0.28 1.71 -2.24 -1.26 -4.52 114.28 115.04 2f22 n THR 3 Ca -0.12 -1.00 0.15 0.00 -2.27 0.00 0.00 64.05 60.81 2f22 n THR 3 Cb 0.43 0.08 0.81 0.00 -2.10 0.00 0.00 70.33 69.55 2f22 n THR 3 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 2f22 h ASN 4 N 3.53 0.00 -0.44 3.42 2.35 -2.01 -0.60 115.58 121.84 2f22 h ASN 4 Ca 0.00 0.00 -0.14 0.00 -0.55 0.00 0.00 56.30 55.61 2f22 h ASN 4 Cb 1.26 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.62 2f22 h ASN 4 CO 0.19 0.08 -0.28 1.23 -1.65 0.00 0.00 177.43 177.00 2f22 h GLY 5 N 0.73 1.05 0.87 2.83 0.00 -2.00 -0.71 103.07 105.84 2f22 h GLY 5 Ca -0.00 -0.99 -0.02 0.00 0.00 0.00 0.00 47.33 46.32 2f22 h GLY 5 CO 0.01 0.90 0.06 -2.08 0.00 0.00 0.00 176.54 175.43 2f22 h VAL 6 N 0.82 1.20 -0.09 4.60 2.07 -1.65 -2.20 116.25 121.00 2f22 h VAL 6 Ca 0.09 -0.64 0.03 0.00 0.82 0.00 0.00 66.70 67.01 2f22 h VAL 6 Cb 0.87 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 31.80 2f22 h VAL 6 CO 0.08 0.20 -0.12 0.25 0.02 0.00 0.00 177.57 178.00 2f22 h LEU 7 N 0.19 -0.36 -0.35 2.57 5.85 -1.11 -0.61 115.31 121.49 2f22 h LEU 7 Ca 0.07 0.07 0.01 0.00 0.84 0.00 0.00 57.88 58.87 2f22 h LEU 7 Cb 0.25 0.17 -0.02 0.00 0.37 0.00 0.00 40.66 41.43 2f22 h LEU 7 CO -0.00 -0.16 0.22 0.22 -0.34 0.00 0.00 178.44 178.38 2f22 h TYR 8 N -0.16 0.41 -0.21 1.25 3.20 -1.10 0.29 116.97 120.65 2f22 h TYR 8 Ca 0.07 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 2f22 h TYR 8 Cb 0.26 -0.14 -0.01 0.00 1.54 0.00 0.00 36.73 38.39 2f22 h TYR 8 CO -0.22 0.25 0.10 0.00 -1.64 0.00 0.00 178.16 176.65 2f22 h ALA 9 N 1.14 0.27 -0.59 1.82 0.00 -1.22 -2.99 119.26 117.69 2f22 h ALA 9 Ca 0.13 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 2f22 h ALA 9 Cb -0.02 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 2f22 h ALA 9 CO -0.05 -0.16 0.10 0.00 0.00 0.00 0.00 179.25 179.14 2f22 h ALA 10 N 0.96 0.79 0.00 0.00 0.00 -0.98 -2.59 119.26 117.44 2f22 h ALA 10 Ca 0.07 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.73 2f22 h ALA 10 Cb 0.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.70 2f22 h ALA 10 CO -0.01 0.54 0.00 0.09 0.00 0.00 0.00 179.25 179.87 2f22 n ASN 11 N -4.31 0.00 0.00 0.00 3.02 0.08 -0.99 115.26 113.05 2f22 n ASN 11 Ca 0.03 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.58 2f22 n ASN 11 Cb 0.27 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.44 2f22 n ASN 11 CO 0.00 0.00 0.00 0.41 -2.62 0.00 0.00 177.26 175.05 2f22 n THR 13 N 0.59 0.00 0.30 3.41 -1.04 -0.98 -1.77 114.28 114.79 2f22 n THR 13 Ca 0.00 0.00 0.16 0.00 -2.04 0.00 0.00 64.05 62.17 2f22 n THR 13 Cb 0.00 0.00 0.95 0.00 -1.82 0.00 0.00 70.33 69.46 2f22 n THR 13 CO 0.00 0.00 0.00 0.78 -0.64 0.00 0.00 175.07 175.21 2f22 h ASN 14 N 0.00 0.00 -0.12 8.00 2.35 -1.35 -1.73 115.58 122.73 2f22 h ASN 14 Ca 0.00 0.00 0.03 0.00 -0.55 0.00 0.00 56.30 55.78 2f22 h ASN 14 Cb 0.00 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.37 2f22 h ASN 14 CO 0.00 0.01 0.11 0.00 -1.65 0.00 0.00 177.43 175.91 2f22 h ALA 15 N 1.99 1.82 -0.52 -0.83 0.00 -1.62 -0.72 119.26 119.38 2f22 h ALA 15 Ca -0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 2f22 h ALA 15 Cb 0.05 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2f22 h ALA 15 CO 0.00 -0.18 0.22 -0.07 0.00 0.00 0.00 179.25 179.22 2f22 h LEU 16 N 0.00 0.71 -0.50 0.00 3.38 -1.63 -0.83 115.31 116.44 2f22 h LEU 16 Ca 0.06 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.77 2f22 h LEU 16 Cb 0.29 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 2f22 h LEU 16 CO -0.00 0.67 -0.47 0.00 0.09 0.00 0.00 178.44 178.73 2f22 h ALA 17 N 1.06 0.82 -0.17 1.53 0.00 -1.32 -1.33 119.26 119.85 2f22 h ALA 17 Ca 0.17 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.48 2f22 h ALA 17 Cb 0.18 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 2f22 h ALA 17 CO -0.02 0.59 -0.60 0.87 0.00 0.00 0.00 179.25 180.09 2f22 h LYS 18 N 0.00 0.56 0.00 0.00 1.57 -1.11 -3.40 116.57 114.18 2f22 h LYS 18 Ca -0.00 -0.38 -0.19 0.00 -1.87 0.00 0.00 60.65 58.20 2f22 h LYS 18 Cb 1.15 0.05 -0.04 0.00 0.08 0.00 0.00 32.23 33.48 2f22 h LYS 18 CO 0.06 0.99 -1.72 0.39 -0.57 0.00 0.00 179.45 178.60 2f22 n GLU 19 N -3.93 2.07 -2.87 3.15 1.02 -0.34 -4.93 120.64 114.80 2f22 n GLU 19 Ca -0.04 0.00 -0.41 0.00 -0.02 0.00 0.00 57.16 56.69 2f22 n GLU 19 Cb 0.64 -1.27 -0.04 0.00 -0.02 0.00 0.00 31.44 30.75 2f22 n GLU 19 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2f22 s ILE 20 N -2.26 4.89 0.41 -3.67 -1.09 -0.51 -5.00 121.20 113.97 2f22 s ILE 20 Ca -0.07 1.69 -0.26 0.00 -2.23 0.00 0.00 60.65 59.78 2f22 s ILE 20 Cb 0.03 -4.16 -0.10 0.00 -1.58 0.00 0.00 42.46 36.65 2f22 s ILE 20 CO 0.42 0.05 1.33 -0.81 -1.23 0.00 0.00 174.94 174.70 2f22 n PRO 21 N 4.97 2.13 0.29 2.79 -0.04 -1.26 -4.82 135.00 139.06 2f22 n PRO 21 Ca 0.04 0.75 0.16 0.00 -0.04 0.00 0.00 63.50 64.41 2f22 n PRO 21 Cb 0.49 -2.46 0.88 0.00 -0.04 0.00 0.00 33.50 32.37 2f22 n PRO 21 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2f22 h GLU 22 N 2.32 0.00 0.00 0.54 4.22 -1.94 -0.31 114.58 119.41 2f22 h GLU 22 Ca -0.48 0.00 0.00 0.00 0.08 0.00 0.00 59.36 58.96 2f22 h GLU 22 Cb 1.28 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.53 2f22 h GLU 22 CO 0.61 0.05 0.04 0.66 -2.18 0.00 0.00 179.01 178.19 2f22 h SER 23 N 0.00 0.00 -0.14 1.04 4.64 -2.04 -2.18 113.55 114.87 2f22 h SER 23 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2f22 h SER 23 Cb 0.18 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2f22 h SER 23 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 2f22 n LYS 24 N -2.49 1.76 0.01 4.77 5.02 -0.13 -4.62 118.16 122.48 2f22 n LYS 24 Ca -0.02 -1.74 0.12 0.00 -2.02 0.00 0.00 58.31 54.65 2f22 n LYS 24 Cb 0.08 -1.36 0.51 0.00 -0.02 0.00 0.00 35.03 34.24 2f22 n LYS 24 CO 0.00 0.00 0.00 0.91 -0.52 0.00 0.00 177.40 177.79 2f22 n TRP 25 N 1.03 0.05 0.12 2.13 7.02 -0.82 -2.53 117.44 124.44 2f22 n TRP 25 Ca 0.12 0.02 0.08 0.00 -1.02 0.00 0.00 57.50 56.70 2f22 n TRP 25 Cb 0.46 -0.53 0.16 0.00 -2.42 0.00 0.00 31.31 28.99 2f22 n TRP 25 CO 0.00 0.00 0.00 -0.25 -2.02 0.00 0.00 177.69 175.42 2f22 n ASP 26 N -1.54 2.97 -4.72 -0.99 8.00 -1.26 -1.27 116.55 117.74 2f22 n ASP 26 Ca 0.06 -1.88 -0.42 0.00 0.71 0.00 0.00 54.79 53.26 2f22 n ASP 26 Cb 0.29 -0.21 -0.03 0.00 -0.02 0.00 0.00 41.12 41.15 2f22 n ASP 26 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 2f22 s ILE 27 N -1.15 3.74 -0.80 0.53 1.01 -1.05 -4.96 121.20 118.51 2f22 s ILE 27 Ca 0.28 1.29 -0.26 0.00 0.00 0.00 0.00 60.65 61.96 2f22 s ILE 27 Cb 0.16 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.83 2f22 s ILE 27 CO 0.22 0.12 1.46 -1.58 0.00 0.00 0.00 174.94 175.17 2f22 s GLN 28 N 0.79 3.15 0.05 2.79 2.00 -1.26 -4.40 119.66 122.78 2f22 s GLN 28 Ca 0.59 -0.33 -0.29 0.00 -2.00 0.00 0.00 55.36 53.33 2f22 s GLN 28 Cb -0.32 -4.57 -0.17 0.00 0.80 0.00 0.00 33.01 28.74 2f22 s GLN 28 CO 0.31 -2.35 1.46 -0.07 -0.50 0.00 0.00 175.29 174.14 2f22 h LEU 29 N 13.87 -0.56 -8.08 3.68 3.38 -1.86 -3.45 115.31 122.29 2f22 h LEU 29 Ca -0.13 -0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.65 2f22 h LEU 29 Cb 1.05 0.14 -0.18 0.00 0.09 0.00 0.00 40.66 41.77 2f22 h LEU 29 CO 1.30 -0.30 -0.68 0.27 0.09 0.00 0.00 178.44 179.13 2f22 s ILE 30 N -5.48 0.16 0.24 1.22 -4.36 -1.26 -4.68 121.20 107.03 2f22 s ILE 30 Ca -0.16 -1.30 0.32 0.00 -0.26 0.00 0.00 60.65 59.25 2f22 s ILE 30 Cb 0.03 -0.84 0.35 0.00 1.25 0.00 0.00 42.46 43.25 2f22 s ILE 30 CO 0.58 -0.72 2.02 1.55 0.24 0.00 0.00 174.94 178.61 2f22 h PRO 31 N 3.94 0.00 0.00 0.37 0.13 -1.99 -3.09 132.00 131.35 2f22 h PRO 31 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2f22 h PRO 31 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2f22 h PRO 31 CO 0.52 0.07 0.00 0.39 -0.23 0.00 0.00 178.00 178.75 2f22 n GLU 32 N -3.25 0.03 -4.14 0.86 4.71 -1.26 -4.83 120.64 112.77 2f22 n GLU 32 Ca -0.00 0.13 -0.12 0.00 -0.01 0.00 0.00 57.16 57.15 2f22 n GLU 32 Cb 0.29 -1.50 -0.11 0.00 -1.01 0.00 0.00 31.44 29.11 2f22 n GLU 32 CO 0.00 0.00 0.00 -0.51 0.09 0.00 0.00 177.13 176.71 2f22 s LEU 33 N -2.95 2.42 0.91 -4.62 1.43 -1.17 -5.15 118.68 109.55 2f22 s LEU 33 Ca 0.11 -0.85 -0.11 0.00 -1.03 0.00 0.00 54.13 52.26 2f22 s LEU 33 Cb 0.14 -0.15 0.14 0.00 0.03 0.00 0.00 46.19 46.35 2f22 s LEU 33 CO 0.38 -0.35 1.11 -0.83 0.23 0.00 0.00 176.35 176.89 2f22 s GLY 34 N -2.55 1.66 1.02 -3.19 0.00 -1.26 -4.69 107.32 98.32 2f22 s GLY 34 Ca 0.05 0.36 -0.12 0.00 0.00 0.00 0.00 44.72 45.01 2f22 s GLY 34 CO -0.02 0.80 0.96 -1.30 0.00 0.00 0.00 173.10 173.54 2f22 n THR 35 N -4.12 0.00 -0.36 0.90 -2.24 -1.26 -4.72 114.28 102.48 2f22 n THR 35 Ca 0.10 -0.19 0.02 0.00 -2.27 0.00 0.00 64.05 61.71 2f22 n THR 35 Cb 0.53 -0.93 0.17 0.00 -2.10 0.00 0.00 70.33 67.99 2f22 n THR 35 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2f22 h LEU 36 N -2.15 1.00 -0.50 3.22 3.38 -1.74 -0.72 115.31 117.79 2f22 h LEU 36 Ca -0.50 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.49 2f22 h LEU 36 Cb 1.30 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 41.82 2f22 h LEU 36 CO 0.43 0.63 0.33 -0.09 0.09 0.00 0.00 178.44 179.83 2f22 h ARG 37 N 1.13 0.67 -0.77 1.13 2.43 -1.54 0.09 114.38 117.52 2f22 h ARG 37 Ca 0.42 -0.04 -0.03 0.00 -0.81 0.00 0.00 59.98 59.52 2f22 h ARG 37 Cb 0.18 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.55 2f22 h ARG 37 CO -0.18 0.45 0.38 0.87 -1.51 0.00 0.00 179.97 179.98 2f22 h LYS 38 N 0.68 1.11 -0.25 0.20 1.57 -1.64 -1.18 116.57 117.06 2f22 h LYS 38 Ca 0.18 -0.15 0.02 0.00 -1.87 0.00 0.00 60.65 58.83 2f22 h LYS 38 Cb -0.07 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.02 2f22 h LYS 38 CO -0.04 0.85 0.12 1.25 -0.57 0.00 0.00 179.45 181.06 2f22 h LEU 39 N 1.10 0.17 -0.57 2.94 5.85 -0.58 -1.28 115.31 122.94 2f22 h LEU 39 Ca 0.27 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 2f22 h LEU 39 Cb 0.10 -0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.09 2f22 h LEU 39 CO -0.03 0.13 0.15 -0.26 -0.34 0.00 0.00 178.44 178.09 2f22 h PHE 40 N 0.25 0.94 -0.63 1.25 0.04 -0.60 0.13 116.94 118.32 2f22 h PHE 40 Ca 0.10 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.80 2f22 h PHE 40 Cb 0.04 -0.27 -0.04 0.00 2.20 0.00 0.00 35.95 37.87 2f22 h PHE 40 CO -0.10 0.80 0.38 0.82 -0.60 0.00 0.00 178.31 179.61 2f22 h ILE 41 N 0.81 1.04 -0.43 -0.55 2.04 -1.14 -1.72 117.51 117.56 2f22 h ILE 41 Ca 0.18 -0.25 -0.01 0.00 1.00 0.00 0.00 64.86 65.78 2f22 h ILE 41 Cb 0.33 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.64 2f22 h ILE 41 CO -0.00 0.13 0.21 -0.74 0.00 0.00 0.00 178.15 177.76 2f22 h HIS 42 N 0.73 0.61 -0.17 1.37 2.76 -0.39 -1.47 115.15 118.59 2f22 h HIS 42 Ca 0.26 -0.03 -0.01 0.00 -2.20 0.00 0.00 60.37 58.40 2f22 h HIS 42 Cb 0.07 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 28.83 2f22 h HIS 42 CO -0.06 0.49 0.09 0.82 -1.30 0.00 0.00 177.93 177.97 2f22 h ILE 43 N 0.55 1.12 -0.20 6.26 1.08 -0.50 0.39 117.51 126.22 2f22 h ILE 43 Ca 0.15 -0.34 0.02 0.00 -0.39 0.00 0.00 64.86 64.30 2f22 h ILE 43 Cb 0.10 1.03 -0.02 0.00 -3.07 0.00 0.00 36.82 34.86 2f22 h ILE 43 CO -0.02 0.11 0.04 0.58 -0.69 0.00 0.00 178.15 178.18 2f22 h VAL 44 N 0.16 0.92 -0.37 1.67 2.07 -1.29 -0.20 116.25 119.21 2f22 h VAL 44 Ca 0.06 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.57 2f22 h VAL 44 Cb 0.10 0.78 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 2f22 h VAL 44 CO -0.01 0.02 0.17 -0.09 0.02 0.00 0.00 177.57 177.69 2f22 h ARG 45 N 0.12 0.35 -0.28 1.57 2.43 -0.88 -1.34 114.38 116.34 2f22 h ARG 45 Ca 0.09 -0.02 -0.18 0.00 -0.81 0.00 0.00 59.98 59.06 2f22 h ARG 45 Cb 0.08 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 2f22 h ARG 45 CO -0.11 0.23 -0.51 0.28 -1.51 0.00 0.00 179.97 178.35 2f22 h VAL 46 N 0.36 1.28 -0.78 0.20 2.07 -0.70 -0.89 116.25 117.79 2f22 h VAL 46 Ca 0.16 -1.70 0.02 0.00 0.82 0.00 0.00 66.70 66.00 2f22 h VAL 46 Cb 0.08 1.64 -0.04 0.00 -1.52 0.00 0.00 31.29 31.45 2f22 h VAL 46 CO -0.12 0.55 0.51 0.03 0.02 0.00 0.00 177.57 178.56 2f22 h ARG 47 N 0.62 0.99 -0.33 1.57 3.08 -0.86 -1.26 114.38 118.19 2f22 h ARG 47 Ca 0.02 -0.06 -0.08 0.00 0.07 0.00 0.00 59.98 59.93 2f22 h ARG 47 Cb 1.12 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 2f22 h ARG 47 CO 0.12 0.65 -0.13 -0.44 -1.07 0.00 0.00 179.97 179.09 2f22 h ASP 48 N 1.02 0.56 -0.33 7.04 3.32 -1.06 -0.41 116.42 126.56 2f22 h ASP 48 Ca 0.30 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.19 2f22 h ASP 48 Cb -0.07 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.32 2f22 h ASP 48 CO -0.08 0.72 0.21 0.58 -1.72 0.00 0.00 179.24 178.95 2f22 h VAL 49 N 0.53 1.09 -0.52 -1.35 2.07 -0.55 -0.08 116.25 117.44 2f22 h VAL 49 Ca 0.09 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.36 2f22 h VAL 49 Cb 0.54 0.62 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 2f22 h VAL 49 CO 0.03 0.09 -0.02 1.88 0.02 0.00 0.00 177.57 179.57 2f22 h TYR 50 N 0.44 0.96 -0.40 1.57 0.05 -0.85 -1.02 116.97 117.72 2f22 h TYR 50 Ca 0.12 -0.15 -0.01 0.00 0.05 0.00 0.00 58.73 58.74 2f22 h TYR 50 Cb -0.04 -0.26 -0.02 0.00 1.01 0.00 0.00 36.73 37.42 2f22 h TYR 50 CO -0.05 0.88 0.21 -0.09 -1.05 0.00 0.00 178.16 178.06 2f22 h ARG 51 N 0.82 0.56 -0.54 4.88 2.43 -0.88 -1.48 114.38 120.17 2f22 h ARG 51 Ca 0.15 -0.07 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 2f22 h ARG 51 Cb 0.51 -0.11 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 2f22 h ARG 51 CO 0.03 0.46 0.25 0.22 -1.51 0.00 0.00 179.97 179.41 2f22 h ASP 52 N 0.51 0.68 -0.61 -3.80 1.82 -0.73 -1.35 116.42 112.94 2f22 h ASP 52 Ca 0.14 -0.07 -0.00 0.00 -0.39 0.00 0.00 57.03 56.71 2f22 h ASP 52 Cb 0.07 -0.17 -0.03 0.00 0.68 0.00 0.00 39.33 39.87 2f22 h ASP 52 CO -0.02 0.60 0.37 1.23 -1.61 0.00 0.00 179.24 179.81 2f22 h GLY 53 N 0.87 0.88 2.00 -0.78 0.00 -0.56 0.35 103.07 105.83 2f22 h GLY 53 Ca 0.19 -0.36 -0.07 0.00 0.00 0.00 0.00 47.33 47.09 2f22 h GLY 53 CO -0.02 0.35 -0.31 1.41 0.00 0.00 0.00 176.54 177.96 2f22 h LEU 54 N 0.82 0.00 0.02 3.11 3.38 -0.76 0.25 115.31 122.14 2f22 h LEU 54 Ca 0.22 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.93 2f22 h LEU 54 Cb -0.03 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.68 2f22 h LEU 54 CO -0.04 0.31 -1.39 0.50 0.09 0.00 0.00 178.44 177.91 2f22 h LYS 55 N 0.00 0.05 0.00 1.13 3.64 -0.84 -3.41 116.57 117.14 2f22 h LYS 55 Ca -0.00 -0.08 0.00 0.00 -1.27 0.00 0.00 60.65 59.30 2f22 h LYS 55 Cb 0.64 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.49 2f22 h LYS 55 CO 0.04 0.82 -0.88 0.25 -2.27 0.00 0.00 179.45 177.41 2f22 n THR 56 N -3.25 0.00 -0.09 1.00 -2.24 0.07 -5.03 114.28 104.75 2f22 n THR 56 Ca -0.10 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 2f22 n THR 56 Cb 1.00 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.82 2f22 n THR 56 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2f22 n GLY 57 N 1.91 0.52 2.86 3.38 0.00 0.88 -5.04 105.19 109.71 2f22 n GLY 57 Ca -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.88 2f22 n GLY 57 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2f22 s SER 58 N -2.70 -0.01 -0.11 1.61 1.04 -1.22 -0.98 113.70 111.32 2f22 s SER 58 Ca 0.00 0.11 -0.23 0.00 0.48 0.00 0.00 55.95 56.30 2f22 s SER 58 Cb 0.00 0.05 -0.03 0.00 0.10 0.00 0.00 66.02 66.14 2f22 s SER 58 CO 0.00 -0.08 0.72 -0.63 0.98 0.00 0.00 173.24 174.23 2f22 s ILE 59 N 0.63 5.00 -0.63 -1.02 1.01 0.85 -3.77 121.20 123.26 2f22 s ILE 59 Ca -0.05 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.10 2f22 s ILE 59 Cb -0.07 -4.05 0.19 0.00 0.01 0.00 0.00 42.46 38.54 2f22 s ILE 59 CO -0.02 0.17 0.51 0.29 0.00 0.00 0.00 174.94 175.89 2f22 n LYS 60 N 4.35 1.61 -2.01 2.79 5.02 -1.26 -4.41 118.16 124.24 2f22 n LYS 60 Ca 0.00 -4.24 -0.33 0.00 -2.02 0.00 0.00 58.31 51.72 2f22 n LYS 60 Cb 0.50 -2.13 0.02 0.00 -0.02 0.00 0.00 35.03 33.40 2f22 n LYS 60 CO 0.00 0.00 0.00 -0.06 -0.52 0.00 0.00 177.40 176.82 2f22 s PHE 61 N -1.36 2.84 -0.11 2.13 0.08 -1.26 -2.90 117.98 117.41 2f22 s PHE 61 Ca 0.29 1.53 0.24 0.00 0.12 0.00 0.00 56.93 59.12 2f22 s PHE 61 Cb 0.01 -3.09 0.69 0.00 -0.57 0.00 0.00 43.02 40.07 2f22 s PHE 61 CO -0.15 -1.32 1.73 -1.00 -0.10 0.00 0.00 175.22 174.38 2f22 h PRO 62 N 0.47 0.00 0.00 0.24 0.13 -2.01 -3.52 132.00 127.30 2f22 h PRO 62 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2f22 h PRO 62 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2f22 h PRO 62 CO 0.56 0.14 0.00 0.41 -0.23 0.00 0.00 178.00 178.89 2f22 n GLY 63 N 0.62 -0.55 3.94 1.56 0.00 -1.14 -4.83 105.19 104.79 2f22 n GLY 63 Ca 0.02 -2.09 -0.26 0.00 0.00 0.00 0.00 46.02 43.69 2f22 n GLY 63 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2f22 s ARG 64 N 0.00 3.45 0.73 1.61 0.52 -1.26 -5.08 118.95 118.93 2f22 s ARG 64 Ca 0.00 -0.58 -0.16 0.00 -0.52 0.00 0.00 55.73 54.48 2f22 s ARG 64 Cb 0.00 -2.94 0.02 0.00 0.52 0.00 0.00 34.95 32.55 2f22 s ARG 64 CO 0.00 0.50 1.01 1.28 0.02 0.00 0.00 175.30 178.11 2f22 n LEU 65 N -0.64 3.74 -4.77 2.53 4.32 -1.26 -4.93 117.00 115.99 2f22 n LEU 65 Ca -0.07 0.66 -0.39 0.00 -0.02 0.00 0.00 56.01 56.19 2f22 n LEU 65 Cb 0.54 -1.43 -0.00 0.00 -1.62 0.00 0.00 43.42 40.91 2f22 n LEU 65 CO 0.48 -1.95 0.92 0.00 -1.22 0.00 0.00 177.39 175.62 2f22 s ALA 66 N -1.85 3.14 0.31 -1.18 0.00 -1.26 -4.98 121.76 115.94 2f22 s ALA 66 Ca 0.74 1.15 -0.30 0.00 0.00 0.00 0.00 51.96 53.55 2f22 s ALA 66 Cb -0.34 -3.46 -0.11 0.00 0.00 0.00 0.00 23.12 19.21 2f22 s ALA 66 CO 0.50 -0.81 1.58 0.45 0.00 0.00 0.00 175.76 177.48 2f22 s SER 67 N -0.93 6.35 0.00 0.00 0.15 -1.26 -4.91 113.70 113.10 2f22 s SER 67 Ca 0.60 2.98 0.24 0.00 0.70 0.00 0.00 55.95 60.47 2f22 s SER 67 Cb -0.35 -2.64 0.25 0.00 -1.71 0.00 0.00 66.02 61.57 2f22 s SER 67 CO 0.45 -0.92 1.30 0.47 1.20 0.00 0.00 173.24 175.74 2f22 n ASP 68 N 1.81 2.94 -0.06 5.45 8.00 -1.26 -4.53 116.55 128.89 2f22 n ASP 68 Ca 0.07 -1.97 -0.04 0.00 0.71 0.00 0.00 54.79 53.55 2f22 n ASP 68 Cb 0.38 -0.01 -0.15 0.00 -0.02 0.00 0.00 41.12 41.31 2f22 n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2f22 n GLU 69 N 1.29 0.67 -4.46 -1.24 4.71 -1.26 -5.00 120.64 115.35 2f22 n GLU 69 Ca 0.15 0.01 -0.23 0.00 -0.01 0.00 0.00 57.16 57.08 2f22 n GLU 69 Cb 0.59 -1.58 -0.13 0.00 -1.01 0.00 0.00 31.44 29.30 2f22 n GLU 69 CO 0.00 0.00 0.00 -1.01 0.09 0.00 0.00 177.13 176.21 2f22 s HIS 70 N -2.76 1.59 0.69 -0.32 3.76 -1.26 -5.15 115.29 111.83 2f22 s HIS 70 Ca -0.08 -0.38 -0.10 0.00 -0.15 0.00 0.00 55.06 54.35 2f22 s HIS 70 Cb 0.08 -0.93 0.02 0.00 1.11 0.00 0.00 32.58 32.86 2f22 s HIS 70 CO 0.84 0.09 1.05 1.03 -0.85 0.00 0.00 174.74 176.91 2f22 s ARG 71 N -1.31 2.80 0.15 1.40 0.52 -1.26 -4.86 118.95 116.39 2f22 s ARG 71 Ca 0.05 0.31 -0.07 0.00 -0.52 0.00 0.00 55.73 55.50 2f22 s ARG 71 Cb -0.09 -2.08 -0.00 0.00 0.52 0.00 0.00 34.95 33.30 2f22 s ARG 71 CO 0.02 -1.00 1.43 -0.07 0.02 0.00 0.00 175.30 175.70 2f22 h LEU 72 N -0.57 0.77 -0.45 2.53 3.38 -1.98 -1.70 115.31 117.29 2f22 h LEU 72 Ca -0.45 -0.44 -0.02 0.00 0.09 0.00 0.00 57.88 57.06 2f22 h LEU 72 Cb 1.26 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 2f22 h LEU 72 CO 0.63 1.20 0.20 0.25 0.09 0.00 0.00 178.44 180.81 2f22 h LEU 73 N 0.50 0.61 -0.56 1.67 5.85 -1.94 0.18 115.31 121.62 2f22 h LEU 73 Ca -0.01 -0.15 0.10 0.00 0.84 0.00 0.00 57.88 58.67 2f22 h LEU 73 Cb 1.20 -0.16 -0.08 0.00 0.37 0.00 0.00 40.66 41.99 2f22 h LEU 73 CO 0.12 0.60 0.09 -0.78 -0.34 0.00 0.00 178.44 178.13 2f22 h ASP 74 N 0.59 -0.05 -0.20 1.25 3.58 -1.90 -0.00 116.42 119.69 2f22 h ASP 74 Ca 0.15 0.11 -0.13 0.00 0.42 0.00 0.00 57.03 57.58 2f22 h ASP 74 Cb 0.16 0.16 -0.01 0.00 1.72 0.00 0.00 39.33 41.37 2f22 h ASP 74 CO -0.02 -0.01 -0.35 -0.33 -2.88 0.00 0.00 179.24 175.66 2f22 h GLU 75 N 0.22 0.72 -0.52 0.28 4.39 -0.83 0.53 114.58 119.37 2f22 h GLU 75 Ca 0.29 -0.34 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 2f22 h GLU 75 Cb 0.42 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.04 2f22 h GLU 75 CO -0.39 0.96 0.26 -0.07 -1.16 0.00 0.00 179.01 178.60 2f22 h LEU 76 N 0.60 0.67 -0.24 1.33 3.38 -0.09 0.51 115.31 121.48 2f22 h LEU 76 Ca 0.06 -0.12 -0.11 0.00 0.09 0.00 0.00 57.88 57.80 2f22 h LEU 76 Cb 0.87 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2f22 h LEU 76 CO 0.08 0.60 -0.28 -0.33 0.09 0.00 0.00 178.44 178.60 2f22 h GLU 77 N 0.69 0.61 -0.02 1.13 5.08 -0.84 -3.19 114.58 118.03 2f22 h GLU 77 Ca 0.18 -0.34 0.02 0.00 -1.00 0.00 0.00 59.36 58.22 2f22 h GLU 77 Cb 0.10 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2f22 h GLU 77 CO -0.02 0.94 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.75 2f22 h ARG 78 N 0.31 -0.13 -1.27 2.33 2.43 -0.82 -0.50 114.38 116.73 2f22 h ARG 78 Ca 0.03 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 2f22 h ARG 78 Cb 0.85 0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2f22 h ARG 78 CO 0.07 -0.09 0.00 -1.13 -1.51 0.00 0.00 179.97 177.31 2f22 n SER 79 N -5.21 0.23 0.00 -3.80 3.41 0.16 -0.86 113.62 107.56 2f22 n SER 79 Ca -0.05 -0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.35 2f22 n SER 79 Cb 0.14 -0.05 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 2f22 n SER 79 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f22 n GLU 81 N 0.77 0.00 0.10 4.33 1.02 -0.20 -1.74 120.64 124.92 2f22 n GLU 81 Ca 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.11 2f22 n GLU 81 Cb 0.04 0.00 0.19 0.00 -0.02 0.00 0.00 31.44 31.65 2f22 n GLU 81 CO 0.00 0.00 0.00 0.93 1.18 0.00 0.00 177.13 179.24 2f22 h GLU 82 N 0.00 0.21 -0.18 3.49 5.08 -1.25 -1.15 114.58 120.78 2f22 h GLU 82 Ca 0.00 -0.12 -0.07 0.00 -1.00 0.00 0.00 59.36 58.17 2f22 h GLU 82 Cb 0.00 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 2f22 h GLU 82 CO 0.00 0.66 -0.17 1.25 -1.00 0.00 0.00 179.01 179.75 2f22 h LEU 83 N 0.17 0.46 -0.41 1.33 5.85 -1.57 -1.40 115.31 119.75 2f22 h LEU 83 Ca 0.01 -0.47 0.07 0.00 0.84 0.00 0.00 57.88 58.33 2f22 h LEU 83 Cb 0.93 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.76 2f22 h LEU 83 CO 0.07 0.84 0.03 0.58 -0.34 0.00 0.00 178.44 179.62 2f22 h VAL 84 N 0.09 0.72 -0.47 1.05 2.07 -1.80 -1.17 116.25 116.74 2f22 h VAL 84 Ca 0.03 -0.05 0.06 0.00 0.82 0.00 0.00 66.70 67.57 2f22 h VAL 84 Cb 0.70 0.57 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 2f22 h VAL 84 CO 0.04 0.03 0.16 0.15 0.02 0.00 0.00 177.57 177.97 2f22 h PHE 85 N 0.14 0.28 -0.08 1.57 3.04 -1.08 -2.63 116.94 118.18 2f22 h PHE 85 Ca 0.20 0.02 -0.13 0.00 3.98 0.00 0.00 57.97 62.05 2f22 h PHE 85 Cb 0.28 -0.06 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 2f22 h PHE 85 CO -0.25 0.09 -0.52 1.49 -2.02 0.00 0.00 178.31 177.10 2f22 h GLU 86 N 0.33 0.21 -0.77 1.11 4.57 -0.74 -0.58 114.58 118.71 2f22 h GLU 86 Ca 0.23 -0.12 0.04 0.00 -1.18 0.00 0.00 59.36 58.32 2f22 h GLU 86 Cb 0.24 0.01 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2f22 h GLU 86 CO -0.24 0.68 0.50 0.74 -1.18 0.00 0.00 179.01 179.52 2f22 h PHE 87 N 0.16 0.90 -0.05 0.92 0.04 -1.01 -0.26 116.94 117.64 2f22 h PHE 87 Ca 0.00 0.02 -0.20 0.00 2.80 0.00 0.00 57.97 60.60 2f22 h PHE 87 Cb 0.97 -0.30 -0.00 0.00 2.20 0.00 0.00 35.95 38.82 2f22 h PHE 87 CO 0.02 0.51 -0.81 0.87 -0.60 0.00 0.00 178.31 178.30 2f22 h LYS 88 N 0.92 0.43 0.00 1.51 1.57 -0.93 -3.34 116.57 116.73 2f22 h LYS 88 Ca 0.31 -0.39 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 2f22 h LYS 88 Cb 0.08 0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.45 2f22 h LYS 88 CO -0.09 1.03 -1.12 0.37 -0.57 0.00 0.00 179.45 179.07 2f22 h GLN 89 N 0.27 0.00 -6.76 3.15 5.75 -0.87 -3.39 115.11 113.26 2f22 h GLN 89 Ca -0.05 0.00 -0.56 0.00 -0.15 0.00 0.00 58.65 57.89 2f22 h GLN 89 Cb 1.41 0.00 0.10 0.00 1.07 0.00 0.00 27.48 30.06 2f22 h GLN 89 CO 0.14 0.68 0.60 -2.37 -2.65 0.00 0.00 178.83 175.24 2f22 n THR 90 N -3.19 1.75 -0.04 2.39 5.66 -0.13 -4.89 114.28 115.83 2f22 n THR 90 Ca -0.05 -0.44 0.08 0.00 -3.05 0.00 0.00 64.05 60.59 2f22 n THR 90 Cb 0.91 -1.67 0.18 0.00 -1.55 0.00 0.00 70.33 68.20 2f22 n THR 90 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2f22 n THR 91 N 0.76 0.77 -2.98 1.09 -2.24 -1.26 -4.97 114.28 105.44 2f22 n THR 91 Ca 0.05 -0.88 -0.34 0.00 -2.27 0.00 0.00 64.05 60.61 2f22 n THR 91 Cb 0.36 0.69 -0.06 0.00 -2.10 0.00 0.00 70.33 69.22 2f22 n THR 91 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 2f22 s PHE 92 N -1.07 3.46 -0.05 4.78 0.08 -1.26 -4.99 117.98 118.94 2f22 s PHE 92 Ca 0.29 1.46 0.18 0.00 0.12 0.00 0.00 56.93 58.98 2f22 s PHE 92 Cb 0.16 -2.71 -0.27 0.00 -0.57 0.00 0.00 43.02 39.63 2f22 s PHE 92 CO 0.21 0.10 0.40 0.09 -0.10 0.00 0.00 175.22 175.93 2f22 n ASN 93 N -0.07 0.95 -3.82 1.36 3.02 -1.26 -4.87 115.26 110.58 2f22 n ASN 93 Ca 0.03 -0.03 -0.16 0.00 -0.03 0.00 0.00 54.58 54.40 2f22 n ASN 93 Cb 0.52 1.79 -0.16 0.00 -0.61 0.00 0.00 39.78 41.32 2f22 n ASN 93 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2f22 s SER 94 N -4.00 0.30 -0.14 6.41 0.15 -1.26 -3.81 113.70 111.35 2f22 s SER 94 Ca -0.06 -0.01 0.02 0.00 0.70 0.00 0.00 55.95 56.60 2f22 s SER 94 Cb 0.11 -0.15 0.01 0.00 -1.71 0.00 0.00 66.02 64.28 2f22 s SER 94 CO 0.73 -0.09 -0.21 -0.63 1.20 0.00 0.00 173.24 174.25 2f22 s ILE 95 N 0.86 2.18 0.80 6.45 -1.09 0.30 -4.90 121.20 125.80 2f22 s ILE 95 Ca -0.08 -0.94 -0.14 0.00 -2.23 0.00 0.00 60.65 57.26 2f22 s ILE 95 Cb -0.12 -1.87 0.19 0.00 -1.58 0.00 0.00 42.46 39.08 2f22 s ILE 95 CO -0.02 0.54 0.94 1.17 -1.23 0.00 0.00 174.94 176.35 2f22 n LYS 96 N 4.00 -1.56 0.00 2.79 4.81 -0.15 -0.46 118.16 127.58 2f22 n LYS 96 Ca -0.20 -1.47 0.00 0.00 -0.87 0.00 0.00 58.31 55.77 2f22 n LYS 96 Cb 0.52 -1.10 0.00 0.00 0.02 0.00 0.00 35.03 34.46 2f22 n LYS 96 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2f22 n GLY 98 N -2.06 0.00 0.10 3.14 0.00 -1.26 -0.10 105.19 105.00 2f22 n GLY 98 Ca 0.12 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.27 2f22 n GLY 98 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2f22 n GLU 99 N 0.00 0.21 -3.93 1.61 0.28 -1.26 -4.91 120.64 112.65 2f22 n GLU 99 Ca 0.00 0.24 -0.21 0.00 -0.16 0.00 0.00 57.16 57.03 2f22 n GLU 99 Cb 0.00 -1.78 -0.02 0.00 1.43 0.00 0.00 31.44 31.07 2f22 n GLU 99 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 2f22 s ASN 100 N -4.26 6.09 0.03 -1.84 0.01 -1.26 -5.12 114.94 108.60 2f22 s ASN 100 Ca 0.09 -0.04 0.09 0.00 -0.71 0.00 0.00 52.86 52.29 2f22 s ASN 100 Cb 0.12 -1.66 -0.03 0.00 0.41 0.00 0.00 41.25 40.09 2f22 s ASN 100 CO 0.53 -0.12 -0.25 -0.31 -1.51 0.00 0.00 177.10 175.44 2f22 s TYR 101 N -2.04 2.25 -0.02 2.20 1.51 -1.26 -4.44 117.35 115.54 2f22 s TYR 101 Ca 0.35 -0.41 0.06 0.00 -1.01 0.00 0.00 57.07 56.06 2f22 s TYR 101 Cb -0.09 -1.37 -0.01 0.00 -0.11 0.00 0.00 41.96 40.38 2f22 s TYR 101 CO 0.28 0.08 -0.21 -0.51 -1.11 0.00 0.00 175.55 174.09 2f22 s LEU 102 N -1.06 2.03 0.88 -1.29 1.43 0.39 -4.94 118.68 116.11 2f22 s LEU 102 Ca 0.11 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2f22 s LEU 102 Cb -0.10 -1.07 0.12 0.00 0.03 0.00 0.00 46.19 45.17 2f22 s LEU 102 CO 0.01 0.24 1.11 -0.94 0.23 0.00 0.00 176.35 177.01 2f22 s SER 103 N -0.41 3.75 0.00 2.29 1.04 -1.26 -0.54 113.70 118.57 2f22 s SER 103 Ca 0.06 1.15 0.00 0.00 0.48 0.00 0.00 55.95 57.64 2f22 s SER 103 Cb -0.09 -1.80 0.00 0.00 0.10 0.00 0.00 66.02 64.24 2f22 s SER 103 CO -0.00 -2.42 0.05 -0.38 0.98 0.00 0.00 173.24 171.47 2f22 n ILE 104 N -3.70 0.05 0.00 -1.02 2.08 -1.25 -1.33 119.36 114.19 2f22 n ILE 104 Ca 0.07 0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 2f22 n ILE 104 Cb 0.58 -0.45 0.00 0.00 -0.75 0.00 0.00 39.64 39.01 2f22 n ILE 104 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2f22 n GLU 106 N 0.89 0.00 -0.22 0.38 1.02 -1.26 -0.80 120.64 120.66 2f22 n GLU 106 Ca 0.00 0.00 -0.07 0.00 -0.02 0.00 0.00 57.16 57.07 2f22 n GLU 106 Cb 0.03 0.00 0.03 0.00 -0.02 0.00 0.00 31.44 31.48 2f22 n GLU 106 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 2f22 h LEU 107 N 0.00 0.81 -0.58 -4.62 5.85 -1.53 -1.32 115.31 113.91 2f22 h LEU 107 Ca 0.00 -0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.62 2f22 h LEU 107 Cb 0.00 -0.21 -0.05 0.00 0.37 0.00 0.00 40.66 40.78 2f22 h LEU 107 CO 0.00 0.73 0.32 0.25 -0.34 0.00 0.00 178.44 179.40 2f22 h LEU 108 N 0.83 0.48 -0.73 2.25 6.46 -1.23 -0.57 115.31 122.81 2f22 h LEU 108 Ca 0.21 0.02 0.00 0.00 -0.12 0.00 0.00 57.88 57.99 2f22 h LEU 108 Cb 0.15 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 2f22 h LEU 108 CO -0.02 0.33 0.46 1.23 -0.62 0.00 0.00 178.44 179.81 2f22 h GLY 109 N 0.62 1.04 1.00 3.75 0.00 -1.76 -2.21 103.07 105.51 2f22 h GLY 109 Ca 0.25 -0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.17 2f22 h GLY 109 CO -0.15 0.40 0.32 -0.84 0.00 0.00 0.00 176.54 176.27 2f22 h THR 110 N 0.99 1.13 -0.20 4.70 2.02 -0.67 0.15 112.91 121.04 2f22 h THR 110 Ca 0.26 -0.26 0.03 0.00 0.77 0.00 0.00 66.41 67.21 2f22 h THR 110 Cb -0.07 0.43 -0.03 0.00 -1.74 0.00 0.00 68.15 66.73 2f22 h THR 110 CO -0.05 0.13 0.01 0.58 0.37 0.00 0.00 175.52 176.56 2f22 h VAL 111 N 0.67 0.87 -0.33 3.16 2.07 -0.85 -0.17 116.25 121.66 2f22 h VAL 111 Ca 0.18 -0.03 -0.07 0.00 0.82 0.00 0.00 66.70 67.61 2f22 h VAL 111 Cb -0.06 0.79 -0.01 0.00 -1.52 0.00 0.00 31.29 30.49 2f22 h VAL 111 CO -0.04 0.01 -0.06 0.40 0.02 0.00 0.00 177.57 177.91 2f22 h ILE 112 N 0.08 1.27 -0.83 4.57 2.04 -1.20 -2.28 117.51 121.16 2f22 h ILE 112 Ca 0.09 -1.09 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 2f22 h ILE 112 Cb 0.11 1.31 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 2f22 h ILE 112 CO -0.15 0.35 0.47 -0.61 0.00 0.00 0.00 178.15 178.22 2f22 h GLN 113 N 0.41 1.14 -0.31 2.37 4.15 -0.82 -1.42 115.11 120.63 2f22 h GLN 113 Ca 0.09 -0.12 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2f22 h GLN 113 Cb 0.54 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.99 2f22 h GLN 113 CO 0.03 0.82 0.13 1.25 -1.93 0.00 0.00 178.83 179.12 2f22 h HIS 114 N 1.15 0.46 -0.51 3.99 2.76 -0.83 0.67 115.15 122.84 2f22 h HIS 114 Ca 0.30 -0.03 0.03 0.00 -2.20 0.00 0.00 60.37 58.46 2f22 h HIS 114 Cb -0.01 -0.14 -0.04 0.00 1.55 0.00 0.00 27.41 28.78 2f22 h HIS 114 CO 0.01 0.44 0.30 0.93 -1.30 0.00 0.00 177.93 178.31 2f22 h GLU 115 N 0.35 0.57 -0.40 5.26 4.39 -1.03 -2.42 114.58 121.31 2f22 h GLU 115 Ca 0.10 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.80 2f22 h GLU 115 Cb 0.17 -0.13 -0.03 0.00 -0.10 0.00 0.00 28.75 28.66 2f22 h GLU 115 CO -0.01 0.38 0.20 0.78 -1.16 0.00 0.00 179.01 179.20 2f22 h GLY 116 N 0.59 0.54 0.49 -3.84 0.00 -0.78 -1.02 103.07 99.05 2f22 h GLY 116 Ca 0.21 -0.14 0.05 0.00 0.00 0.00 0.00 47.33 47.45 2f22 h GLY 116 CO -0.10 0.10 -0.02 -2.22 0.00 0.00 0.00 176.54 174.30 2f22 h ILE 117 N 0.40 0.76 -0.23 2.60 2.04 -0.57 -0.23 117.51 122.27 2f22 h ILE 117 Ca 0.17 -0.02 -0.10 0.00 1.00 0.00 0.00 64.86 65.91 2f22 h ILE 117 Cb 0.08 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 36.84 2f22 h ILE 117 CO -0.12 0.01 -0.28 0.45 0.00 0.00 0.00 178.15 178.21 2f22 h HIS 118 N 0.06 0.52 -0.30 1.37 3.86 -1.18 -1.41 115.15 118.06 2f22 h HIS 118 Ca 0.14 -0.12 0.00 0.00 -1.16 0.00 0.00 60.37 59.24 2f22 h HIS 118 Cb 0.20 -0.12 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 2f22 h HIS 118 CO -0.24 0.70 0.20 1.96 0.86 0.00 0.00 177.93 181.41 2f22 h GLN 119 N 0.40 0.40 -0.59 2.45 4.20 -0.62 -1.69 115.11 119.66 2f22 h GLN 119 Ca 0.06 -0.02 -0.07 0.00 0.06 0.00 0.00 58.65 58.67 2f22 h GLN 119 Cb 0.70 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.37 2f22 h GLN 119 CO 0.05 0.27 0.09 0.78 -0.67 0.00 0.00 178.83 179.34 2f22 h GLY 120 N 0.41 1.07 0.65 3.46 0.00 -0.72 0.05 103.07 107.98 2f22 h GLY 120 Ca 0.11 -0.72 0.03 0.00 0.00 0.00 0.00 47.33 46.76 2f22 h GLY 120 CO -0.02 0.67 -0.05 1.46 0.00 0.00 0.00 176.54 178.60 2f22 h GLN 121 N 0.89 -0.00 0.00 4.80 4.20 -1.09 -2.94 115.11 120.97 2f22 h GLN 121 Ca 0.18 0.00 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 2f22 h GLN 121 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.21 2f22 h GLN 121 CO 0.01 -0.00 -0.31 1.88 -0.67 0.00 0.00 178.83 179.74 2f22 h TYR 122 N -0.01 0.00 -0.38 2.96 -1.99 -1.19 -1.70 116.97 114.66 2f22 h TYR 122 Ca 0.08 0.00 0.08 0.00 2.00 0.00 0.00 58.73 60.90 2f22 h TYR 122 Cb 0.13 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.78 2f22 h TYR 122 CO -0.20 0.31 -0.21 -0.92 -0.00 0.00 0.00 178.16 177.13 2f22 h TYR 123 N 0.00 -0.54 -0.25 4.88 3.20 -0.86 0.75 116.97 124.14 2f22 h TYR 123 Ca -0.00 0.05 -0.09 0.00 3.14 0.00 0.00 58.73 61.82 2f22 h TYR 123 Cb 1.12 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.68 2f22 h TYR 123 CO 0.00 -0.29 -0.19 0.28 -1.64 0.00 0.00 178.16 176.32 2f22 h VAL 124 N -0.15 1.31 -0.70 1.81 2.07 -1.30 -2.45 116.25 116.85 2f22 h VAL 124 Ca 0.19 -1.32 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 2f22 h VAL 124 Cb 0.44 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.79 2f22 h VAL 124 CO -0.47 0.41 0.30 0.00 0.02 0.00 0.00 177.57 177.83 2f22 h ALA 125 N 0.70 0.90 -0.33 1.67 0.00 -1.08 0.08 119.26 121.21 2f22 h ALA 125 Ca 0.05 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 2f22 h ALA 125 Cb 0.72 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2f22 h ALA 125 CO 0.05 0.50 0.01 -0.07 0.00 0.00 0.00 179.25 179.74 2f22 h LEU 126 N 0.99 0.56 -0.79 0.00 3.38 -0.84 -1.15 115.31 117.46 2f22 h LEU 126 Ca 0.24 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 2f22 h LEU 126 Cb 0.17 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 2f22 h LEU 126 CO -0.02 0.72 0.38 0.11 0.09 0.00 0.00 178.44 179.72 2f22 h LYS 127 N 0.39 1.13 -0.12 1.13 1.57 -1.12 -0.43 116.57 119.12 2f22 h LYS 127 Ca 0.10 -0.16 -0.09 0.00 -1.87 0.00 0.00 60.65 58.62 2f22 h LYS 127 Cb 0.43 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 2f22 h LYS 127 CO 0.01 0.87 -0.33 1.96 -0.57 0.00 0.00 179.45 181.40 2f22 h GLN 128 N 1.11 0.25 -0.00 3.15 4.20 -0.83 -2.95 115.11 120.04 2f22 h GLN 128 Ca 0.27 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.88 2f22 h GLN 128 Cb 0.11 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2f22 h GLN 128 CO -0.04 0.55 -0.30 0.43 -0.67 0.00 0.00 178.83 178.80 2f22 n SER 129 N -4.10 0.31 0.00 1.46 7.64 -0.45 -4.96 113.62 113.53 2f22 n SER 129 Ca -0.01 0.03 0.00 0.00 1.01 0.00 0.00 58.87 59.90 2f22 n SER 129 Cb 0.42 -0.04 0.00 0.00 -1.01 0.00 0.00 64.21 63.58 2f22 n SER 129 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2f22 n GLY 130 N 1.50 0.47 3.66 0.23 0.00 -0.29 -5.04 105.19 105.71 2f22 n GLY 130 Ca 0.06 -0.92 -0.35 0.00 0.00 0.00 0.00 46.02 44.81 2f22 n GLY 130 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2f22 s ILE 131 N -2.00 4.77 0.46 -0.61 1.01 -0.48 -5.04 121.20 119.31 2f22 s ILE 131 Ca 0.00 -0.05 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 2f22 s ILE 131 Cb 0.00 -3.13 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 2f22 s ILE 131 CO 0.00 0.49 1.35 0.20 0.00 0.00 0.00 174.94 176.98 2f22 s ASN 132 N 0.11 5.90 0.68 3.58 0.01 -1.26 -4.30 114.94 119.66 2f22 s ASN 132 Ca 0.05 2.75 -0.13 0.00 -0.71 0.00 0.00 52.86 54.81 2f22 s ASN 132 Cb -0.12 -2.64 0.01 0.00 0.41 0.00 0.00 41.25 38.90 2f22 s ASN 132 CO 0.01 -1.14 1.09 -0.76 -1.51 0.00 0.00 177.10 174.78 2f22 s LEU 133 N -2.84 3.28 0.39 0.60 1.43 -1.26 -4.94 118.68 115.34 2f22 s LEU 133 Ca 0.62 1.85 -0.27 0.00 -1.03 0.00 0.00 54.13 55.31 2f22 s LEU 133 Cb -0.40 -4.53 -0.11 0.00 0.03 0.00 0.00 46.19 41.18 2f22 s LEU 133 CO 0.50 -1.60 1.39 -2.65 0.23 0.00 0.00 176.35 174.22 2f22 n PRO 134 N -2.72 2.32 -0.30 1.29 -0.02 -1.26 -4.85 135.00 129.46 2f22 n PRO 134 Ca 0.09 0.82 0.12 0.00 -2.02 0.00 0.00 63.50 62.51 2f22 n PRO 134 Cb 0.53 -2.52 0.36 0.00 -0.02 0.00 0.00 33.50 31.84 2f22 n PRO 134 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2f22 h LYS 135 N 2.57 0.71 -0.68 -0.52 3.64 -1.93 -0.30 116.57 120.05 2f22 h LYS 135 Ca -0.49 -0.04 0.01 0.00 -1.27 0.00 0.00 60.65 58.85 2f22 h LYS 135 Cb 1.27 -0.16 -0.03 0.00 -0.41 0.00 0.00 32.23 32.89 2f22 h LYS 135 CO 0.62 0.47 0.45 0.37 -2.27 0.00 0.00 179.45 179.10 2f22 h GLN 136 N 0.74 0.90 -0.15 1.90 4.15 -1.96 -1.00 115.11 119.69 2f22 h GLN 136 Ca 0.48 -0.06 -0.22 0.00 0.77 0.00 0.00 58.65 59.63 2f22 h GLN 136 Cb 0.74 -0.20 0.01 0.00 0.21 0.00 0.00 27.48 28.24 2f22 h GLN 136 CO -0.24 0.60 -0.77 -1.49 -1.93 0.00 0.00 178.83 175.00 2f22 h TRP 137 N 0.93 1.01 -0.53 3.99 4.06 -1.42 -2.20 115.95 121.78 2f22 h TRP 137 Ca 0.25 -0.44 -0.03 0.00 2.06 0.00 0.00 58.89 60.73 2f22 h TRP 137 Cb -0.10 -0.16 -0.02 0.00 -1.00 0.00 0.00 29.16 27.88 2f22 h TRP 137 CO 0.00 1.27 0.22 0.28 -3.56 0.00 0.00 178.44 176.64 2f22 h VAL 138 N 0.51 1.22 0.01 1.49 2.07 -0.97 -1.96 116.25 118.61 2f22 h VAL 138 Ca -0.05 -0.67 -0.04 0.00 0.82 0.00 0.00 66.70 66.77 2f22 h VAL 138 Cb 1.39 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2f22 h VAL 138 CO 0.16 0.26 -0.15 1.56 0.02 0.00 0.00 177.57 179.41 2f22 h GLN 139 N 0.72 0.09 -0.21 1.57 4.20 -1.24 -3.35 115.11 116.89 2f22 h GLN 139 Ca 0.18 -0.11 -0.20 0.00 0.06 0.00 0.00 58.65 58.58 2f22 h GLN 139 Cb 0.19 0.03 0.00 0.00 0.30 0.00 0.00 27.48 28.01 2f22 h GLN 139 CO -0.02 0.90 -0.66 -0.44 -0.67 0.00 0.00 178.83 177.95 2f22 h ASP 140 N -0.68 0.90 0.00 1.46 5.19 -1.48 -3.51 116.42 118.29 2f22 h ASP 140 Ca -0.02 -0.53 0.00 0.00 -0.62 0.00 0.00 57.03 55.86 2f22 h ASP 140 Cb 0.96 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 40.21 2f22 h ASP 140 CO 0.03 1.32 0.00 0.79 -3.12 0.00 0.00 179.24 178.26