#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2f62 n HIS 4 N 0.00 -1.45 -2.02 1.57 -0.00 -1.26 -4.95 115.22 107.11 2f62 n HIS 4 Ca 0.00 0.68 -0.34 0.00 -0.00 0.00 0.00 57.72 58.06 2f62 n HIS 4 Cb 0.00 -3.26 0.02 0.00 -0.00 0.00 0.00 29.99 26.75 2f62 n HIS 4 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f62 s HIS 5 N -4.17 2.71 0.29 4.41 4.02 -1.26 -4.99 115.29 116.29 2f62 s HIS 5 Ca 0.01 1.54 -0.30 0.00 1.02 0.00 0.00 55.06 57.33 2f62 s HIS 5 Cb -0.01 -3.18 -0.12 0.00 -1.02 0.00 0.00 32.58 28.25 2f62 s HIS 5 CO 0.94 -1.52 1.61 1.58 1.02 0.00 0.00 174.74 178.37 2f62 n HIS 6 N -1.89 2.84 -3.94 1.40 -0.00 -1.26 -5.00 115.22 107.37 2f62 n HIS 6 Ca 0.11 0.24 -0.35 0.00 -0.00 0.00 0.00 57.72 57.72 2f62 n HIS 6 Cb 0.52 -2.60 -0.14 0.00 -0.00 0.00 0.00 29.99 27.76 2f62 n HIS 6 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2f62 s HIS 7 N 0.09 2.93 0.00 1.57 4.02 -1.26 -5.24 115.29 117.41 2f62 s HIS 7 Ca 0.65 -1.02 0.00 0.00 1.02 0.00 0.00 55.06 55.71 2f62 s HIS 7 Cb -0.50 -2.08 0.00 0.00 -1.02 0.00 0.00 32.58 28.98 2f62 s HIS 7 CO 0.47 -0.58 0.00 1.58 1.02 0.00 0.00 174.74 177.23 2f62 n HIS 8 N 4.77 -0.42 -4.48 1.40 -0.00 -1.26 -5.25 115.22 109.97 2f62 n HIS 8 Ca -0.19 0.00 -0.21 0.00 -0.00 0.00 0.00 57.72 57.33 2f62 n HIS 8 Cb 0.51 0.00 -0.14 0.00 -0.00 0.00 0.00 29.99 30.36 2f62 n HIS 8 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.34 177.37 2f62 s ARG 10 N -0.27 1.01 -0.02 1.57 0.52 -1.26 -5.06 118.95 115.44 2f62 s ARG 10 Ca 0.00 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.61 2f62 s ARG 10 Cb 0.00 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.48 2f62 s ARG 10 CO 0.00 0.26 -0.07 0.15 0.02 0.00 0.00 175.30 175.66 2f62 s LYS 11 N -0.74 0.80 -0.12 3.54 1.02 -1.26 -4.48 119.74 118.50 2f62 s LYS 11 Ca 0.03 -0.24 0.02 0.00 0.02 0.00 0.00 55.97 55.80 2f62 s LYS 11 Cb -0.07 -0.77 0.01 0.00 -0.52 0.00 0.00 37.83 36.49 2f62 s LYS 11 CO 0.00 0.08 -0.17 0.42 -0.92 0.00 0.00 175.35 174.76 2f62 s ILE 12 N 0.25 1.69 -0.00 2.17 1.01 -1.26 -0.56 121.20 124.50 2f62 s ILE 12 Ca -0.03 -0.75 -0.30 0.00 0.00 0.00 0.00 60.65 59.56 2f62 s ILE 12 Cb -0.08 -1.53 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2f62 s ILE 12 CO 0.00 0.48 1.13 -0.47 0.00 0.00 0.00 174.94 176.08 2f62 s TYR 13 N 0.98 3.43 -0.94 3.97 5.04 -0.25 -0.41 117.35 129.17 2f62 s TYR 13 Ca -0.06 1.40 -0.11 0.00 -2.44 0.00 0.00 57.07 55.86 2f62 s TYR 13 Cb -0.15 -3.33 0.24 0.00 0.35 0.00 0.00 41.96 39.08 2f62 s TYR 13 CO -0.03 -0.89 0.90 0.42 -1.34 0.00 0.00 175.55 174.61 2f62 s ILE 14 N 1.46 5.64 0.03 3.14 -1.09 -0.15 -1.61 121.20 128.62 2f62 s ILE 14 Ca 0.55 -2.96 -0.20 0.00 -2.23 0.00 0.00 60.65 55.81 2f62 s ILE 14 Cb -0.25 -4.44 -0.06 0.00 -1.58 0.00 0.00 42.46 36.13 2f62 s ILE 14 CO 0.26 -1.09 0.60 0.00 -1.23 0.00 0.00 174.94 173.48 2f62 s ALA 15 N -0.52 3.52 0.00 9.38 0.00 -0.80 -4.42 121.76 128.93 2f62 s ALA 15 Ca 0.24 0.06 0.00 0.00 0.00 0.00 0.00 51.96 52.25 2f62 s ALA 15 Cb -0.10 -2.72 0.00 0.00 0.00 0.00 0.00 23.12 20.30 2f62 s ALA 15 CO -0.09 0.26 0.00 0.41 0.00 0.00 0.00 175.76 176.34 2f62 n GLY 16 N 2.13 3.36 0.02 0.00 0.00 -1.26 -0.79 105.19 108.65 2f62 n GLY 16 Ca -0.08 -0.94 0.00 0.00 0.00 0.00 0.00 46.02 45.00 2f62 n GLY 16 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2f62 n PRO 17 N -1.13 0.88 -0.03 1.61 -0.04 -1.26 -3.83 135.00 131.20 2f62 n PRO 17 Ca 0.00 0.00 0.22 0.00 -0.04 0.00 0.00 63.50 63.68 2f62 n PRO 17 Cb 0.00 -1.02 0.70 0.00 -0.04 0.00 0.00 33.50 33.14 2f62 n PRO 17 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2f62 h ALA 18 N 2.73 2.56 -0.25 0.55 0.00 -1.95 -0.30 119.26 122.59 2f62 h ALA 18 Ca 0.00 -0.02 0.07 0.00 0.00 0.00 0.00 54.91 54.96 2f62 h ALA 18 Cb 0.02 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 2f62 h ALA 18 CO 0.00 -0.74 0.33 -0.24 0.00 0.00 0.00 179.25 178.60 2f62 h VAL 19 N 0.00 0.34 -0.01 0.00 3.04 -1.91 -0.46 116.25 117.25 2f62 h VAL 19 Ca 0.28 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.97 2f62 h VAL 19 Cb 1.14 0.73 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 2f62 h VAL 19 CO -0.00 0.00 -0.14 0.49 -1.01 0.00 0.00 177.57 176.91 2f62 n PHE 20 N -3.60 0.00 -1.35 3.17 3.72 -0.12 -4.25 117.46 115.03 2f62 n PHE 20 Ca 0.04 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.09 2f62 n PHE 20 Cb 0.46 -0.04 0.10 0.00 -0.94 0.00 0.00 39.48 39.06 2f62 n PHE 20 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2f62 n ASN 21 N 0.05 1.26 -0.27 4.37 3.02 -0.24 -4.88 115.26 118.57 2f62 n ASN 21 Ca 0.15 0.68 0.25 0.00 -0.03 0.00 0.00 54.58 55.63 2f62 n ASN 21 Cb 0.40 -1.50 0.60 0.00 -0.61 0.00 0.00 39.78 38.66 2f62 n ASN 21 CO 0.00 0.00 0.00 -0.65 -2.62 0.00 0.00 177.26 173.99 2f62 h PRO 22 N -0.32 0.24 0.00 3.52 0.11 -1.91 -3.36 132.00 130.28 2f62 h PRO 22 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 2f62 h PRO 22 Cb 1.32 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.37 2f62 h PRO 22 CO 0.48 0.16 -0.48 0.38 -0.21 0.00 0.00 178.00 178.33 2f62 h ASP 23 N 0.25 0.00 0.00 -2.05 2.03 -1.91 -3.51 116.42 111.23 2f62 h ASP 23 Ca 0.52 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.82 2f62 h ASP 23 Cb 1.58 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 40.08 2f62 h ASP 23 CO -0.15 0.73 0.00 0.61 -1.03 0.00 0.00 179.24 179.40 2f62 n GLY 25 N 1.62 0.00 0.24 7.15 0.00 -0.86 -4.76 105.19 108.58 2f62 n GLY 25 Ca -0.07 0.00 0.01 0.00 0.00 0.00 0.00 46.02 45.97 2f62 n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2f62 h ALA 26 N 0.00 0.63 -0.60 4.61 0.00 -1.94 0.15 119.26 122.12 2f62 h ALA 26 Ca 0.00 0.19 -0.07 0.00 0.00 0.00 0.00 54.91 55.03 2f62 h ALA 26 Cb 0.00 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 2f62 h ALA 26 CO 0.00 -0.39 0.08 0.66 0.00 0.00 0.00 179.25 179.61 2f62 h SER 27 N 0.13 0.96 0.04 0.00 4.64 -1.97 0.12 113.55 117.47 2f62 h SER 27 Ca 0.33 -0.27 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 2f62 h SER 27 Cb 0.54 -0.26 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 2f62 h SER 27 CO -0.53 0.98 -0.02 0.22 -0.87 0.00 0.00 176.83 176.61 2f62 h TYR 28 N 0.90 -0.05 -0.68 4.77 3.20 -1.78 -2.74 116.97 120.59 2f62 h TYR 28 Ca 0.18 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.99 2f62 h TYR 28 Cb 0.44 0.02 -0.03 0.00 1.54 0.00 0.00 36.73 38.70 2f62 h TYR 28 CO 0.03 0.28 0.21 1.88 -1.64 0.00 0.00 178.16 178.92 2f62 h TYR 29 N -0.39 1.08 -0.91 -3.82 0.05 -0.63 -0.92 116.97 111.42 2f62 h TYR 29 Ca -0.01 -0.10 -0.01 0.00 0.05 0.00 0.00 58.73 58.66 2f62 h TYR 29 Cb 0.35 -0.31 -0.04 0.00 1.01 0.00 0.00 36.73 37.74 2f62 h TYR 29 CO 0.04 0.86 0.52 -0.91 -1.05 0.00 0.00 178.16 177.62 2f62 h ASN 30 N 1.00 1.13 -0.52 3.88 2.35 -0.80 0.23 115.58 122.85 2f62 h ASN 30 Ca 0.22 -0.09 -0.06 0.00 -0.55 0.00 0.00 56.30 55.82 2f62 h ASN 30 Cb 0.29 -0.29 -0.02 0.00 0.05 0.00 0.00 38.32 38.36 2f62 h ASN 30 CO -0.01 0.89 0.09 0.11 -1.65 0.00 0.00 177.43 176.87 2f62 h LYS 31 N 1.27 0.85 -0.21 0.81 1.57 -1.13 -1.85 116.57 117.89 2f62 h LYS 31 Ca 0.32 -0.22 -0.00 0.00 -1.87 0.00 0.00 60.65 58.88 2f62 h LYS 31 Cb -0.00 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 2f62 h LYS 31 CO -0.06 0.83 0.13 0.28 -0.57 0.00 0.00 179.45 180.06 2f62 h VAL 32 N 0.74 1.09 -0.55 0.50 2.07 -0.80 -1.90 116.25 117.39 2f62 h VAL 32 Ca 0.16 -0.21 0.05 0.00 0.82 0.00 0.00 66.70 67.52 2f62 h VAL 32 Cb 0.39 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.95 2f62 h VAL 32 CO 0.01 0.08 0.27 0.03 0.02 0.00 0.00 177.57 177.99 2f62 h ARG 33 N 0.26 0.51 -0.46 1.57 3.08 -0.41 -0.71 114.38 118.22 2f62 h ARG 33 Ca 0.08 -0.03 -0.05 0.00 0.07 0.00 0.00 59.98 60.05 2f62 h ARG 33 Cb 0.02 -0.11 -0.02 0.00 0.08 0.00 0.00 29.97 29.94 2f62 h ARG 33 CO -0.01 0.34 0.10 1.49 -1.07 0.00 0.00 179.97 180.81 2f62 h GLU 34 N 0.52 0.74 -0.27 0.04 4.81 -1.22 -0.64 114.58 118.57 2f62 h GLU 34 Ca 0.25 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.27 2f62 h GLU 34 Cb 0.17 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.45 2f62 h GLU 34 CO -0.18 0.74 0.07 1.25 -0.73 0.00 0.00 179.01 180.16 2f62 h LEU 35 N 0.61 0.40 -0.49 1.64 5.85 -1.00 -3.15 115.31 119.18 2f62 h LEU 35 Ca 0.14 -0.23 -0.17 0.00 0.84 0.00 0.00 57.88 58.47 2f62 h LEU 35 Cb 0.35 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2f62 h LEU 35 CO 0.00 0.53 -0.62 -0.07 -0.34 0.00 0.00 178.44 177.94 2f62 h LEU 36 N 0.26 0.55 -0.93 2.25 4.07 -1.10 -3.20 115.31 117.21 2f62 h LEU 36 Ca 0.08 -0.32 0.12 0.00 0.08 0.00 0.00 57.88 57.84 2f62 h LEU 36 Cb 0.28 -0.16 -0.08 0.00 1.08 0.00 0.00 40.66 41.77 2f62 h LEU 36 CO 0.00 1.03 0.56 0.50 -1.08 0.00 0.00 178.44 179.45 2f62 h LYS 37 N 0.36 0.86 0.00 1.13 1.63 -1.09 -1.13 116.57 118.33 2f62 h LYS 37 Ca -0.01 -0.05 -0.00 0.00 -0.85 0.00 0.00 60.65 59.74 2f62 h LYS 37 Cb 1.17 -0.19 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2f62 h LYS 37 CO 0.11 0.57 -0.01 0.87 -3.45 0.00 0.00 179.45 177.54 2f62 h LYS 38 N 0.88 0.00 -0.29 1.90 1.57 -1.54 -2.23 116.57 116.86 2f62 h LYS 38 Ca 0.46 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.24 2f62 h LYS 38 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 2f62 h LYS 38 CO -0.27 0.01 0.00 0.39 -0.57 0.00 0.00 179.45 179.01 2f62 n GLU 39 N -3.22 2.87 -3.31 3.15 -0.58 -0.51 -4.98 120.64 114.07 2f62 n GLU 39 Ca -0.02 -2.09 -0.24 0.00 -0.42 0.00 0.00 57.16 54.38 2f62 n GLU 39 Cb 0.13 -1.31 0.04 0.00 -0.57 0.00 0.00 31.44 29.73 2f62 n GLU 39 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2f62 n ASN 40 N 0.25 -5.66 0.00 1.62 5.15 -0.84 -5.03 115.26 110.76 2f62 n ASN 40 Ca 0.12 -0.42 0.00 0.00 -0.60 0.00 0.00 54.58 53.68 2f62 n ASN 40 Cb 0.47 -4.55 0.00 0.00 -0.53 0.00 0.00 39.78 35.17 2f62 n ASN 40 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 2f62 n VAL 41 N -4.56 0.00 -4.23 3.44 0.31 -0.73 -4.25 118.33 108.32 2f62 n VAL 41 Ca -0.05 0.00 -0.18 0.00 -0.01 0.00 0.00 64.34 64.09 2f62 n VAL 41 Cb 0.58 -0.07 -0.15 0.00 -0.91 0.00 0.00 33.84 33.29 2f62 n VAL 41 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 2f62 s PRO 43 N 2.96 0.70 -0.44 5.55 0.04 -1.26 -3.99 135.00 138.56 2f62 s PRO 43 Ca 0.00 -0.19 -0.11 0.00 0.04 0.00 0.00 61.00 60.74 2f62 s PRO 43 Cb 0.00 -0.69 0.08 0.00 0.04 0.00 0.00 34.50 33.94 2f62 s PRO 43 CO 0.00 0.05 0.32 -0.51 0.04 0.00 0.00 177.00 176.89 2f62 s LEU 44 N 0.32 5.38 -0.18 -3.56 1.43 0.45 -4.89 118.68 117.63 2f62 s LEU 44 Ca -0.04 -1.51 -0.08 0.00 -1.03 0.00 0.00 54.13 51.47 2f62 s LEU 44 Cb -0.08 -2.05 -0.04 0.00 0.03 0.00 0.00 46.19 44.04 2f62 s LEU 44 CO 0.00 -0.60 0.07 -0.63 0.23 0.00 0.00 176.35 175.42 2f62 s ILE 45 N 1.48 4.87 0.48 -0.59 1.01 -1.26 -0.98 121.20 126.21 2f62 s ILE 45 Ca 0.04 -0.01 0.27 0.00 0.00 0.00 0.00 60.65 60.95 2f62 s ILE 45 Cb -0.24 -3.19 0.46 0.00 0.01 0.00 0.00 42.46 39.50 2f62 s ILE 45 CO 0.03 0.47 1.82 -0.65 0.00 0.00 0.00 174.94 176.61 2f62 h PRO 46 N 6.60 0.17 -0.07 2.79 0.11 -1.99 -0.75 132.00 138.86 2f62 h PRO 46 Ca -0.38 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.72 2f62 h PRO 46 Cb 1.17 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 32.24 2f62 h PRO 46 CO 0.71 0.11 0.00 0.25 -0.21 0.00 0.00 178.00 178.86 2f62 n THR 47 N -4.39 0.07 -1.71 -1.15 -2.24 -1.26 -4.88 114.28 98.73 2f62 n THR 47 Ca 0.23 -0.37 -0.43 0.00 -2.27 0.00 0.00 64.05 61.21 2f62 n THR 47 Cb 0.99 0.76 -0.03 0.00 -2.10 0.00 0.00 70.33 69.95 2f62 n THR 47 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2f62 n ASP 48 N 0.60 3.71 -4.18 3.42 8.00 -0.29 -2.80 116.55 125.00 2f62 n ASP 48 Ca 0.17 1.08 -0.30 0.00 0.71 0.00 0.00 54.79 56.45 2f62 n ASP 48 Cb 0.43 -1.53 -0.06 0.00 -0.02 0.00 0.00 41.12 39.94 2f62 n ASP 48 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2f62 n ASN 49 N 3.58 -0.18 -4.71 -2.24 4.13 -1.26 -4.78 115.26 109.81 2f62 n ASN 49 Ca 0.15 -1.14 -0.42 0.00 1.68 0.00 0.00 54.58 54.85 2f62 n ASN 49 Cb 0.33 -2.28 -0.03 0.00 -1.54 0.00 0.00 39.78 36.26 2f62 n ASN 49 CO 0.00 0.00 0.00 -0.70 0.28 0.00 0.00 177.26 176.84 2f62 s GLU 50 N -7.00 4.22 1.04 3.52 2.12 -1.12 -5.00 118.70 116.47 2f62 s GLU 50 Ca 0.14 2.33 -0.17 0.00 0.36 0.00 0.00 54.97 57.63 2f62 s GLU 50 Cb -0.08 -3.34 0.22 0.00 0.26 0.00 0.00 34.13 31.20 2f62 s GLU 50 CO 0.95 -0.64 1.23 0.00 -0.54 0.00 0.00 175.26 176.26 2f62 s ALA 51 N 1.73 1.64 -0.10 6.30 0.00 -1.26 -5.03 121.76 125.05 2f62 s ALA 51 Ca 0.71 -1.06 0.19 0.00 0.00 0.00 0.00 51.96 51.80 2f62 s ALA 51 Cb -0.42 -2.83 -0.28 0.00 0.00 0.00 0.00 23.12 19.59 2f62 s ALA 51 CO 0.31 -2.82 0.27 0.25 0.00 0.00 0.00 175.76 173.77 2f62 n THR 52 N -4.11 0.57 -3.45 0.00 -2.24 -1.26 -4.85 114.28 98.94 2f62 n THR 52 Ca 0.14 -0.61 -0.37 0.00 -2.27 0.00 0.00 64.05 60.93 2f62 n THR 52 Cb 0.59 -0.20 -0.06 0.00 -2.10 0.00 0.00 70.33 68.56 2f62 n THR 52 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 2f62 s GLU 53 N -2.98 4.19 0.22 -0.78 2.02 -1.26 -4.99 118.70 115.11 2f62 s GLU 53 Ca -0.08 0.31 -0.11 0.00 0.02 0.00 0.00 54.97 55.11 2f62 s GLU 53 Cb 0.10 -3.37 0.31 0.00 0.10 0.00 0.00 34.13 31.26 2f62 s GLU 53 CO 0.81 0.33 1.65 0.00 0.02 0.00 0.00 175.26 178.07 2f62 h ALA 54 N 6.17 0.60 -0.09 5.21 0.00 -2.00 -0.93 119.26 128.23 2f62 h ALA 54 Ca -0.44 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 2f62 h ALA 54 Cb 1.19 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 19.33 2f62 h ALA 54 CO 0.72 -0.40 -0.14 -0.07 0.00 0.00 0.00 179.25 179.36 2f62 h LEU 55 N 0.09 0.12 -0.12 0.00 3.38 -1.99 -0.57 115.31 116.22 2f62 h LEU 55 Ca 0.33 -0.02 -0.17 0.00 0.09 0.00 0.00 57.88 58.11 2f62 h LEU 55 Cb 0.54 -0.03 0.01 0.00 0.09 0.00 0.00 40.66 41.27 2f62 h LEU 55 CO -0.57 0.28 -0.58 0.44 0.09 0.00 0.00 178.44 178.10 2f62 h ASP 56 N 0.13 0.73 -0.38 -0.43 3.32 -1.62 -1.05 116.42 117.11 2f62 h ASP 56 Ca 0.03 -0.63 0.01 0.00 0.02 0.00 0.00 57.03 56.45 2f62 h ASP 56 Cb 0.33 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.64 2f62 h ASP 56 CO 0.02 1.24 0.24 0.40 -1.72 0.00 0.00 179.24 179.42 2f62 h ILE 57 N 0.26 1.07 -0.21 0.35 2.04 -0.99 -1.25 117.51 118.77 2f62 h ILE 57 Ca -0.04 -0.16 -0.00 0.00 1.00 0.00 0.00 64.86 65.66 2f62 h ILE 57 Cb 1.22 0.54 -0.01 0.00 -0.74 0.00 0.00 36.82 37.84 2f62 h ILE 57 CO 0.12 0.09 0.13 -0.09 0.00 0.00 0.00 178.15 178.40 2f62 h ARG 58 N 0.48 0.28 -0.67 2.37 2.43 -1.10 -1.57 114.38 116.60 2f62 h ARG 58 Ca 0.14 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 2f62 h ARG 58 Cb -0.02 -0.06 -0.03 0.00 -0.42 0.00 0.00 29.97 29.43 2f62 h ARG 58 CO -0.05 0.23 0.39 0.37 -1.51 0.00 0.00 179.97 179.40 2f62 h GLN 59 N 0.26 0.92 -0.63 0.20 5.75 -0.98 -0.31 115.11 120.32 2f62 h GLN 59 Ca 0.08 -0.09 -0.06 0.00 -0.15 0.00 0.00 58.65 58.42 2f62 h GLN 59 Cb 0.01 -0.19 -0.03 0.00 1.07 0.00 0.00 27.48 28.35 2f62 h GLN 59 CO -0.01 0.67 0.16 0.87 -2.65 0.00 0.00 178.83 177.86 2f62 h LYS 60 N 0.92 0.98 -0.44 1.69 1.57 -1.08 -0.05 116.57 120.15 2f62 h LYS 60 Ca 0.24 -0.21 -0.12 0.00 -1.87 0.00 0.00 60.65 58.68 2f62 h LYS 60 Cb -0.00 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.16 2f62 h LYS 60 CO -0.04 0.87 -0.20 -0.91 -0.57 0.00 0.00 179.45 178.59 2f62 h ASN 61 N 0.94 0.95 -0.78 0.86 2.35 -0.75 -2.87 115.58 116.28 2f62 h ASN 61 Ca 0.20 -0.40 -0.00 0.00 -0.55 0.00 0.00 56.30 55.55 2f62 h ASN 61 Cb 0.33 -0.26 -0.04 0.00 0.05 0.00 0.00 38.32 38.40 2f62 h ASN 61 CO -0.00 1.14 0.47 0.40 -1.65 0.00 0.00 177.43 177.79 2f62 h ILE 62 N 0.75 1.22 0.00 2.81 2.04 -0.81 -2.16 117.51 121.36 2f62 h ILE 62 Ca 0.10 -0.48 0.00 0.00 1.00 0.00 0.00 64.86 65.48 2f62 h ILE 62 Cb 0.77 0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.98 2f62 h ILE 62 CO 0.06 0.23 0.00 1.67 0.00 0.00 0.00 178.15 180.11 2f62 n GLN 63 N -4.48 0.14 0.00 2.37 -0.06 -0.05 -1.18 117.38 114.11 2f62 n GLN 63 Ca 0.08 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 55.08 2f62 n GLN 63 Cb 0.06 -1.43 0.00 0.00 -4.06 0.00 0.00 30.24 24.80 2f62 n GLN 63 CO 0.00 0.00 0.00 -0.89 -0.20 0.00 0.00 177.06 175.97 2f62 n ILE 65 N 1.04 0.00 -0.10 1.69 5.41 -0.81 -0.73 119.36 125.86 2f62 n ILE 65 Ca 0.00 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.81 2f62 n ILE 65 Cb 0.07 0.00 0.40 0.00 -0.71 0.00 0.00 39.64 39.40 2f62 n ILE 65 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 2f62 h LYS 66 N 0.00 0.62 0.00 0.38 1.57 -1.43 -2.84 116.57 114.87 2f62 h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 2f62 h LYS 66 Cb 0.00 -0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.17 2f62 h LYS 66 CO 0.00 0.41 -0.47 -0.25 -0.57 0.00 0.00 179.45 178.56 2f62 n ASP 67 N -4.47 0.61 -4.88 0.86 8.00 0.09 -4.96 116.55 111.80 2f62 n ASP 67 Ca 0.08 0.12 -0.30 0.00 0.71 0.00 0.00 54.79 55.40 2f62 n ASP 67 Cb 0.18 0.02 0.02 0.00 -0.02 0.00 0.00 41.12 41.32 2f62 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f62 n ASP 69 N -2.77 0.93 -3.62 0.00 8.00 0.28 -4.98 116.55 114.39 2f62 n ASP 69 Ca 0.06 0.38 -0.11 0.00 0.71 0.00 0.00 54.79 55.82 2f62 n ASP 69 Cb 0.56 -0.08 -0.05 0.00 -0.02 0.00 0.00 41.12 41.53 2f62 n ASP 69 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2f62 s ALA 70 N -2.59 -1.04 -0.15 2.24 0.00 -1.15 -4.95 121.76 114.12 2f62 s ALA 70 Ca -0.06 0.15 -0.05 0.00 0.00 0.00 0.00 51.96 52.00 2f62 s ALA 70 Cb 0.08 0.59 -0.03 0.00 0.00 0.00 0.00 23.12 23.76 2f62 s ALA 70 CO 0.82 -0.59 0.01 0.08 0.00 0.00 0.00 175.76 176.07 2f62 s VAL 71 N -3.34 4.31 -0.28 0.00 1.01 -1.26 -1.09 120.40 119.75 2f62 s VAL 71 Ca -0.00 -0.22 -0.07 0.00 0.00 0.00 0.00 61.98 61.70 2f62 s VAL 71 Cb 0.01 -2.89 -0.00 0.00 0.00 0.00 0.00 36.38 33.50 2f62 s VAL 71 CO -0.09 0.51 0.07 -0.63 0.00 0.00 0.00 175.10 174.96 2f62 s ILE 72 N 0.07 3.99 -0.16 2.22 1.01 -0.63 -0.66 121.20 127.03 2f62 s ILE 72 Ca 0.02 -0.57 -0.02 0.00 0.00 0.00 0.00 60.65 60.08 2f62 s ILE 72 Cb -0.13 -3.00 -0.02 0.00 0.01 0.00 0.00 42.46 39.33 2f62 s ILE 72 CO 0.02 0.16 -0.08 0.00 0.00 0.00 0.00 174.94 175.04 2f62 s ALA 73 N 1.52 2.78 -0.68 9.38 0.00 0.46 -1.90 121.76 133.32 2f62 s ALA 73 Ca 0.04 -0.95 -0.25 0.00 0.00 0.00 0.00 51.96 50.80 2f62 s ALA 73 Cb -0.16 -1.45 0.05 0.00 0.00 0.00 0.00 23.12 21.55 2f62 s ALA 73 CO 0.02 0.05 1.11 0.34 0.00 0.00 0.00 175.76 177.28 2f62 s ASP 74 N 0.67 6.19 -0.41 0.00 2.15 0.03 -1.34 116.67 123.95 2f62 s ASP 74 Ca -0.04 -0.66 0.06 0.00 0.43 0.00 0.00 52.55 52.33 2f62 s ASP 74 Cb -0.15 -2.49 0.69 0.00 -0.30 0.00 0.00 42.92 40.68 2f62 s ASP 74 CO 0.02 -1.60 1.89 0.18 -0.17 0.00 0.00 175.17 175.49 2f62 n LEU 75 N 8.45 6.56 -4.70 -1.34 4.77 0.53 -4.45 117.00 126.82 2f62 n LEU 75 Ca 0.00 -3.51 -0.33 0.00 -0.03 0.00 0.00 56.01 52.14 2f62 n LEU 75 Cb 0.47 -0.81 0.12 0.00 -2.33 0.00 0.00 43.42 40.87 2f62 n LEU 75 CO 0.67 0.99 0.76 -0.44 -1.33 0.00 0.00 177.39 178.04 2f62 s SER 76 N -1.23 3.68 0.12 -1.43 0.01 -1.23 -4.44 113.70 109.17 2f62 s SER 76 Ca 0.57 2.31 -0.35 0.00 1.31 0.00 0.00 55.95 59.78 2f62 s SER 76 Cb 0.47 -2.58 -0.16 0.00 0.21 0.00 0.00 66.02 63.96 2f62 s SER 76 CO 0.12 -2.60 1.31 -0.81 0.41 0.00 0.00 173.24 171.66 2f62 n PRO 77 N -3.31 1.27 -3.81 12.44 -0.04 -1.26 -4.26 135.00 136.02 2f62 n PRO 77 Ca 0.13 0.45 -0.26 0.00 -0.04 0.00 0.00 63.50 63.78 2f62 n PRO 77 Cb 0.51 -2.07 -0.17 0.00 -0.04 0.00 0.00 33.50 31.73 2f62 n PRO 77 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 2f62 s PHE 78 N 0.30 1.14 -1.41 0.54 5.36 -0.01 -4.82 117.98 119.08 2f62 s PHE 78 Ca 0.80 -0.69 -0.09 0.00 -0.96 0.00 0.00 56.93 55.99 2f62 s PHE 78 Cb -0.89 -1.05 0.02 0.00 -0.34 0.00 0.00 43.02 40.76 2f62 s PHE 78 CO 0.48 -0.51 1.07 0.54 -1.46 0.00 0.00 175.22 175.34 2f62 n ARG 79 N 5.02 -7.14 0.00 10.12 1.74 -1.26 -4.50 116.66 120.64 2f62 n ARG 79 Ca -0.09 0.80 0.00 0.00 -0.77 0.00 0.00 57.85 57.78 2f62 n ARG 79 Cb 0.48 -5.80 0.00 0.00 -1.02 0.00 0.00 32.46 26.12 2f62 n ARG 79 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2f62 n GLY 80 N -1.89 0.74 0.05 -0.13 0.00 -1.26 -4.86 105.19 97.84 2f62 n GLY 80 Ca -0.00 -2.09 0.13 0.00 0.00 0.00 0.00 46.02 44.06 2f62 n GLY 80 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 2f62 n HIS 81 N 4.56 0.40 -3.26 1.61 8.25 -1.26 -4.55 115.22 120.97 2f62 n HIS 81 Ca 0.00 0.12 -0.37 0.00 -0.26 0.00 0.00 57.72 57.22 2f62 n HIS 81 Cb 0.00 -0.70 -0.06 0.00 1.12 0.00 0.00 29.99 30.35 2f62 n HIS 81 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 2f62 s GLU 82 N -3.07 4.12 1.10 -0.41 0.41 -1.26 -4.61 118.70 114.99 2f62 s GLU 82 Ca 0.11 0.67 -0.12 0.00 -0.41 0.00 0.00 54.97 55.22 2f62 s GLU 82 Cb 0.15 -3.02 0.25 0.00 -1.78 0.00 0.00 34.13 29.72 2f62 s GLU 82 CO 0.51 0.51 1.05 -2.14 -0.49 0.00 0.00 175.26 174.70 2f62 s PRO 83 N -1.68 -0.40 0.17 0.39 0.02 -1.26 -0.83 135.00 131.41 2f62 s PRO 83 Ca 0.36 0.82 -0.31 0.00 0.02 0.00 0.00 61.00 61.90 2f62 s PRO 83 Cb -0.17 -1.62 -0.09 0.00 0.02 0.00 0.00 34.50 32.65 2f62 s PRO 83 CO 0.20 -3.37 1.41 0.34 -0.33 0.00 0.00 177.00 175.25 2f62 s ASP 84 N -2.78 6.77 0.34 2.53 2.15 -1.26 -4.70 116.67 119.72 2f62 s ASP 84 Ca 0.67 2.46 0.04 0.00 0.43 0.00 0.00 52.55 56.15 2f62 s ASP 84 Cb -0.23 -2.60 0.62 0.00 -0.30 0.00 0.00 42.92 40.41 2f62 s ASP 84 CO 0.62 -0.66 1.91 0.00 -0.17 0.00 0.00 175.17 176.87 2f62 h GLY 86 N 0.81 0.57 0.94 0.00 0.00 -1.99 -0.01 103.07 103.39 2f62 h GLY 86 Ca 0.14 -0.46 0.02 0.00 0.00 0.00 0.00 47.33 47.03 2f62 h GLY 86 CO -0.00 0.42 0.45 -0.84 0.00 0.00 0.00 176.54 176.56 2f62 h THR 87 N 0.29 1.14 -0.80 4.70 2.02 -1.87 -1.75 112.91 116.64 2f62 h THR 87 Ca 0.07 -0.31 -0.01 0.00 0.77 0.00 0.00 66.41 66.93 2f62 h THR 87 Cb 0.52 0.17 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 2f62 h THR 87 CO 0.02 0.16 0.44 0.00 0.37 0.00 0.00 175.52 176.52 2f62 h ALA 88 N 1.27 1.02 -0.54 6.16 0.00 -0.97 -0.05 119.26 126.15 2f62 h ALA 88 Ca 0.26 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.10 2f62 h ALA 88 Cb -0.05 -0.32 -0.05 0.00 0.00 0.00 0.00 17.79 17.38 2f62 h ALA 88 CO -0.08 0.53 0.28 0.35 0.00 0.00 0.00 179.25 180.33 2f62 h PHE 89 N 1.10 0.52 -0.50 0.00 3.57 -0.62 -1.28 116.94 119.73 2f62 h PHE 89 Ca 0.28 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.72 2f62 h PHE 89 Cb 0.03 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.59 2f62 h PHE 89 CO 0.00 0.25 -0.04 0.93 -2.23 0.00 0.00 178.31 177.23 2f62 h GLU 90 N 0.54 0.86 -0.68 1.11 5.08 -0.59 -0.22 114.58 120.68 2f62 h GLU 90 Ca 0.24 -0.26 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 2f62 h GLU 90 Cb 0.13 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.27 2f62 h GLU 90 CO -0.16 0.88 0.36 0.28 -1.00 0.00 0.00 179.01 179.38 2f62 h VAL 91 N 0.79 1.22 -0.52 3.13 2.07 -0.70 -1.04 116.25 121.20 2f62 h VAL 91 Ca 0.14 -0.56 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 2f62 h VAL 91 Cb 0.53 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.62 2f62 h VAL 91 CO 0.03 0.24 0.21 1.23 0.02 0.00 0.00 177.57 179.30 2f62 h GLY 92 N 0.93 0.83 0.43 2.17 0.00 -0.77 -0.73 103.07 105.93 2f62 h GLY 92 Ca 0.24 -0.45 0.04 0.00 0.00 0.00 0.00 47.33 47.16 2f62 h GLY 92 CO -0.04 0.42 -0.19 0.00 0.00 0.00 0.00 176.54 176.74 2f62 h ALA 94 N 0.72 1.14 -0.31 0.00 0.00 -1.05 -2.33 119.26 117.42 2f62 h ALA 94 Ca 0.09 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.89 2f62 h ALA 94 Cb 0.38 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2f62 h ALA 94 CO -0.24 0.61 0.19 0.00 0.00 0.00 0.00 179.25 179.81 2f62 h ALA 95 N 1.28 0.39 -0.03 0.00 0.00 -0.85 -1.00 119.26 119.04 2f62 h ALA 95 Ca 0.32 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 2f62 h ALA 95 Cb -0.02 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 2f62 h ALA 95 CO -0.06 -0.16 -0.12 0.00 0.00 0.00 0.00 179.25 178.91 2f62 h ALA 96 N 1.12 1.74 -0.20 0.00 0.00 -1.12 -1.72 119.26 119.08 2f62 h ALA 96 Ca 0.12 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.90 2f62 h ALA 96 Cb -0.03 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.73 2f62 h ALA 96 CO -0.04 0.20 0.00 1.28 0.00 0.00 0.00 179.25 180.69 2f62 n LEU 97 N -4.37 1.55 -3.22 0.00 4.77 -0.90 -4.93 117.00 109.90 2f62 n LEU 97 Ca -0.02 -0.69 -0.23 0.00 -0.03 0.00 0.00 56.01 55.04 2f62 n LEU 97 Cb 0.21 -0.13 0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2f62 n LEU 97 CO 0.36 0.34 0.03 -3.20 -1.33 0.00 0.00 177.39 173.60 2f62 n ASN 98 N 0.27 -5.68 0.00 -1.43 5.15 -0.65 -5.06 115.26 107.86 2f62 n ASN 98 Ca 0.14 -0.37 0.00 0.00 -0.60 0.00 0.00 54.58 53.75 2f62 n ASN 98 Cb 0.29 -4.58 0.00 0.00 -0.53 0.00 0.00 39.78 34.96 2f62 n ASN 98 CO 0.00 0.00 0.00 0.29 1.40 0.00 0.00 177.26 178.95 2f62 n LYS 99 N -4.17 0.00 0.00 1.20 4.76 -0.43 -5.04 118.16 114.48 2f62 n LYS 99 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 2f62 n LYS 99 Cb 0.59 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.78 2f62 n LYS 99 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2f62 n VAL 101 N 0.00 0.00 -5.21 -0.18 0.31 -1.26 -4.67 118.33 107.32 2f62 n VAL 101 Ca 0.00 0.00 -0.32 0.00 -0.01 0.00 0.00 64.34 64.01 2f62 n VAL 101 Cb 0.00 0.00 -0.17 0.00 -0.91 0.00 0.00 33.84 32.76 2f62 n VAL 101 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2f62 s LEU 102 N 0.00 2.07 0.12 7.52 1.43 0.16 -4.92 118.68 125.07 2f62 s LEU 102 Ca 0.00 -0.54 0.10 0.00 -1.03 0.00 0.00 54.13 52.66 2f62 s LEU 102 Cb 0.00 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.80 2f62 s LEU 102 CO 0.00 0.18 -0.23 0.42 0.23 0.00 0.00 176.35 176.94 2f62 s THR 103 N 0.22 1.98 0.10 5.49 -4.23 -1.26 -0.40 115.64 117.53 2f62 s THR 103 Ca -0.15 -1.69 -0.01 0.00 -1.18 0.00 0.00 61.69 58.66 2f62 s THR 103 Cb -0.17 -1.79 -0.04 0.00 1.34 0.00 0.00 72.50 71.84 2f62 s THR 103 CO 0.07 -0.03 0.01 0.72 -0.54 0.00 0.00 174.62 174.86 2f62 s PHE 104 N -1.23 0.72 -0.03 3.99 -0.71 -0.45 -1.31 117.98 118.96 2f62 s PHE 104 Ca 0.11 -1.15 -0.16 0.00 -1.04 0.00 0.00 56.93 54.68 2f62 s PHE 104 Cb -0.09 -0.45 0.03 0.00 -1.21 0.00 0.00 43.02 41.30 2f62 s PHE 104 CO 0.06 -0.44 0.36 -0.08 -1.34 0.00 0.00 175.22 173.77 2f62 s THR 105 N -3.98 0.04 -1.32 -4.49 -1.32 -0.72 -0.35 115.64 103.51 2f62 s THR 105 Ca 0.16 -0.36 0.23 0.00 -1.21 0.00 0.00 61.69 60.51 2f62 s THR 105 Cb 0.08 -0.65 0.35 0.00 -1.51 0.00 0.00 72.50 70.77 2f62 s THR 105 CO -0.03 -0.20 1.76 -1.54 -2.21 0.00 0.00 174.62 172.40 2f62 n SER 106 N 1.43 0.00 -3.54 8.08 3.41 -1.26 -4.48 113.62 117.25 2f62 n SER 106 Ca -0.20 0.09 -0.27 0.00 -0.26 0.00 0.00 58.87 58.22 2f62 n SER 106 Cb 0.56 -0.34 -0.15 0.00 -0.26 0.00 0.00 64.21 64.02 2f62 n SER 106 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2f62 s ASP 107 N -2.68 3.19 0.00 4.04 -1.08 -1.26 -5.01 116.67 113.87 2f62 s ASP 107 Ca 0.19 -1.14 0.22 0.00 -0.52 0.00 0.00 52.55 51.30 2f62 s ASP 107 Cb 0.16 -0.25 0.58 0.00 -1.46 0.00 0.00 42.92 41.94 2f62 s ASP 107 CO 0.37 -0.42 1.47 0.54 0.52 0.00 0.00 175.17 177.65 2f62 n ARG 108 N 5.26 2.09 -1.76 4.34 1.74 -1.26 -4.92 116.66 122.15 2f62 n ARG 108 Ca -0.06 -1.65 -0.37 0.00 -0.77 0.00 0.00 57.85 55.00 2f62 n ARG 108 Cb 0.43 -1.44 0.06 0.00 -1.02 0.00 0.00 32.46 30.49 2f62 n ARG 108 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 2f62 s ARG 109 N -1.65 2.67 0.00 5.56 0.52 -1.26 -4.55 118.95 120.24 2f62 s ARG 109 Ca 0.35 2.09 0.00 0.00 -0.52 0.00 0.00 55.73 57.65 2f62 s ARG 109 Cb 0.20 -1.92 0.00 0.00 0.52 0.00 0.00 34.95 33.75 2f62 s ARG 109 CO 0.28 -1.52 0.00 0.09 0.02 0.00 0.00 175.30 174.18 2f62 n ASN 110 N -1.74 0.00 0.00 0.23 3.02 -1.26 -4.05 115.26 111.46 2f62 n ASN 110 Ca 0.15 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.70 2f62 n ASN 110 Cb 0.48 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.65 2f62 n ASN 110 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 2f62 n ARG 112 N 0.00 0.00 -0.13 3.52 1.74 -1.26 -1.39 116.66 119.14 2f62 n ARG 112 Ca 0.00 0.00 -0.11 0.00 -0.77 0.00 0.00 57.85 56.97 2f62 n ARG 112 Cb 0.00 0.00 -0.02 0.00 -1.02 0.00 0.00 32.46 31.42 2f62 n ARG 112 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 2f62 h GLU 113 N 0.00 0.67 -0.20 5.56 5.08 -1.91 0.12 114.58 123.91 2f62 h GLU 113 Ca 0.00 -0.22 -0.01 0.00 -1.00 0.00 0.00 59.36 58.13 2f62 h GLU 113 Cb 0.00 -0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.18 2f62 h GLU 113 CO 0.00 0.79 0.10 0.87 -1.00 0.00 0.00 179.01 179.77 2f62 h LYS 114 N 0.49 0.29 0.00 2.33 1.57 -1.53 -2.84 116.57 116.88 2f62 h LYS 114 Ca 0.10 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2f62 h LYS 114 Cb 0.49 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2f62 h LYS 114 CO 0.02 0.29 -0.06 1.88 -0.57 0.00 0.00 179.45 181.01 2f62 h TYR 115 N 0.21 0.00 -0.04 -1.35 0.05 -1.83 -3.47 116.97 110.53 2f62 h TYR 115 Ca 0.07 0.00 -0.02 0.00 0.05 0.00 0.00 58.73 58.83 2f62 h TYR 115 Cb 0.09 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 37.83 2f62 h TYR 115 CO -0.03 0.00 -0.01 0.41 -1.05 0.00 0.00 178.16 177.47 2f62 n GLY 116 N 1.29 0.46 3.72 3.88 0.00 0.36 -4.95 105.19 109.95 2f62 n GLY 116 Ca 0.05 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.86 2f62 n GLY 116 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2f62 s SER 117 N -2.19 -0.18 0.00 1.61 0.15 -0.78 -4.99 113.70 107.32 2f62 s SER 117 Ca 0.00 -0.34 0.30 0.00 0.70 0.00 0.00 55.95 56.61 2f62 s SER 117 Cb 0.00 0.45 1.55 0.00 -1.71 0.00 0.00 66.02 66.31 2f62 s SER 117 CO 0.00 -0.82 2.05 0.61 1.20 0.00 0.00 173.24 176.27 2f62 n GLY 118 N -0.45 -1.04 3.11 9.45 0.00 -1.26 -4.52 105.19 110.47 2f62 n GLY 118 Ca -0.06 -0.21 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 2f62 n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2f62 s VAL 119 N -2.33 0.53 0.22 1.61 -7.23 -1.26 -0.92 120.40 111.01 2f62 s VAL 119 Ca 0.35 -1.54 -0.03 0.00 -1.81 0.00 0.00 61.98 58.95 2f62 s VAL 119 Cb 0.21 -1.18 0.05 0.00 0.56 0.00 0.00 36.38 36.02 2f62 s VAL 119 CO 0.43 -0.69 0.30 -0.90 -0.31 0.00 0.00 175.10 173.92 2f62 n ASP 120 N 0.62 0.10 0.27 4.85 5.68 0.14 -4.86 116.55 123.35 2f62 n ASP 120 Ca -0.17 -1.15 0.18 0.00 -0.50 0.00 0.00 54.79 53.15 2f62 n ASP 120 Cb 0.58 -0.22 0.89 0.00 -1.14 0.00 0.00 41.12 41.23 2f62 n ASP 120 CO 0.00 0.00 0.00 0.07 -1.33 0.00 0.00 177.20 175.94 2f62 h LYS 121 N 0.00 0.00 -0.46 0.11 2.10 -1.94 -1.88 116.57 114.50 2f62 h LYS 121 Ca -0.10 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.55 2f62 h LYS 121 Cb 0.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.61 2f62 h LYS 121 CO 0.07 0.00 0.00 -0.25 -2.00 0.00 0.00 179.45 177.27 2f62 n ASP 122 N -2.84 4.02 -1.11 7.07 8.00 -1.26 -4.95 116.55 125.47 2f62 n ASP 122 Ca -0.01 -2.48 -0.12 0.00 0.71 0.00 0.00 54.79 52.89 2f62 n ASP 122 Cb 0.15 -0.47 -0.04 0.00 -0.02 0.00 0.00 41.12 40.74 2f62 n ASP 122 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2f62 n ASN 123 N 0.51 -4.30 -4.80 -2.24 5.15 -0.71 -5.01 115.26 103.86 2f62 n ASN 123 Ca 0.21 0.20 -0.39 0.00 -0.60 0.00 0.00 54.58 54.00 2f62 n ASN 123 Cb 0.76 -3.11 -0.06 0.00 -0.53 0.00 0.00 39.78 36.85 2f62 n ASN 123 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2f62 s LEU 124 N -3.09 4.49 0.29 1.20 1.43 -1.26 -4.79 118.68 116.94 2f62 s LEU 124 Ca 0.00 1.20 -0.30 0.00 -1.03 0.00 0.00 54.13 54.01 2f62 s LEU 124 Cb 0.00 -2.88 -0.11 0.00 0.03 0.00 0.00 46.19 43.24 2f62 s LEU 124 CO 0.00 0.23 1.47 -0.13 0.23 0.00 0.00 176.35 178.15 2f62 s ARG 125 N -0.82 4.22 -0.22 1.70 0.52 -1.26 -0.68 118.95 122.41 2f62 s ARG 125 Ca 0.29 2.40 -0.08 0.00 -0.52 0.00 0.00 55.73 57.82 2f62 s ARG 125 Cb -0.19 -3.06 -0.04 0.00 0.52 0.00 0.00 34.95 32.18 2f62 s ARG 125 CO 0.18 -0.46 0.08 0.08 0.02 0.00 0.00 175.30 175.20 2f62 s VAL 126 N -0.29 4.67 0.39 3.52 1.01 -0.10 -4.83 120.40 124.77 2f62 s VAL 126 Ca 0.58 -0.06 -0.26 0.00 0.00 0.00 0.00 61.98 62.24 2f62 s VAL 126 Cb -0.44 -3.15 -0.11 0.00 0.00 0.00 0.00 36.38 32.69 2f62 s VAL 126 CO 0.48 0.39 1.14 -0.62 0.00 0.00 0.00 175.10 176.50 2f62 n GLU 127 N 4.21 1.68 -3.20 2.72 1.02 -1.26 -4.79 120.64 121.01 2f62 n GLU 127 Ca -0.16 0.59 -0.27 0.00 -0.02 0.00 0.00 57.16 57.31 2f62 n GLU 127 Cb 0.52 -2.18 -0.06 0.00 -0.02 0.00 0.00 31.44 29.70 2f62 n GLU 127 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2f62 n GLY 128 N 0.99 5.05 0.03 0.62 0.00 -1.26 -4.21 105.19 106.42 2f62 n GLY 128 Ca 0.08 -2.70 0.04 0.00 0.00 0.00 0.00 46.02 43.43 2f62 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2f62 n PHE 129 N 0.38 0.00 -2.63 1.61 3.72 -1.26 -4.99 117.46 114.29 2f62 n PHE 129 Ca 0.30 -0.66 -0.17 0.00 -0.05 0.00 0.00 57.45 56.87 2f62 n PHE 129 Cb 0.41 -0.09 0.01 0.00 -0.94 0.00 0.00 39.48 38.88 2f62 n PHE 129 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2f62 n GLY 130 N -0.82 -0.28 3.39 1.37 0.00 -1.26 -5.02 105.19 102.57 2f62 n GLY 130 Ca 0.06 -0.12 -0.26 0.00 0.00 0.00 0.00 46.02 45.69 2f62 n GLY 130 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2f62 s LEU 131 N -5.08 2.40 0.00 0.99 1.43 -1.26 -4.89 118.68 112.27 2f62 s LEU 131 Ca 0.14 -0.83 0.27 0.00 -1.03 0.00 0.00 54.13 52.68 2f62 s LEU 131 Cb -0.06 -1.11 1.22 0.00 0.03 0.00 0.00 46.19 46.27 2f62 s LEU 131 CO 0.18 0.10 1.89 -0.81 0.23 0.00 0.00 176.35 177.94 2f62 n PRO 132 N 0.44 0.11 -3.83 1.29 -0.04 -1.26 -4.39 135.00 127.33 2f62 n PRO 132 Ca -0.14 0.03 -0.07 0.00 -0.04 0.00 0.00 63.50 63.28 2f62 n PRO 132 Cb 0.55 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 32.53 2f62 n PRO 132 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 2f62 s PHE 133 N -2.88 0.03 -0.09 0.54 -0.00 -1.26 -4.88 117.98 109.44 2f62 s PHE 133 Ca 0.17 -0.59 -0.40 0.00 -0.00 0.00 0.00 56.93 56.11 2f62 s PHE 133 Cb 0.18 0.78 -0.19 0.00 -0.00 0.00 0.00 43.02 43.79 2f62 s PHE 133 CO 0.47 -1.34 1.29 -1.71 -0.00 0.00 0.00 175.22 173.93 2f62 n ASN 134 N -1.11 0.82 -2.69 1.98 2.85 -1.26 -4.86 115.26 110.98 2f62 n ASN 134 Ca -0.06 1.15 0.00 0.00 -0.11 0.00 0.00 54.58 55.55 2f62 n ASN 134 Cb 0.60 -1.00 0.00 0.00 1.24 0.00 0.00 39.78 40.62 2f62 n ASN 134 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2f62 n LEU 135 N 2.52 0.00 0.00 1.20 -0.00 -1.26 -4.13 117.00 115.33 2f62 n LEU 135 Ca 0.22 -0.62 0.00 0.00 -0.00 0.00 0.00 56.01 55.61 2f62 n LEU 135 Cb 0.09 -0.15 0.00 0.00 -0.00 0.00 0.00 43.42 43.36 2f62 n LEU 135 CO 0.68 -0.71 0.00 0.18 -0.00 0.00 0.00 177.39 177.54 2f62 n LEU 137 N 3.50 0.00 -4.43 1.47 4.77 -1.26 -4.75 117.00 116.30 2f62 n LEU 137 Ca 0.00 0.00 -0.34 0.00 -0.03 0.00 0.00 56.01 55.64 2f62 n LEU 137 Cb 0.00 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 40.96 2f62 n LEU 137 CO 0.31 0.00 -0.36 -0.47 -1.33 0.00 0.00 177.39 175.54 2f62 s TYR 138 N 0.00 3.00 -0.14 -1.77 5.04 -1.26 -5.00 117.35 117.23 2f62 s TYR 138 Ca 0.00 -0.52 0.02 0.00 -2.44 0.00 0.00 57.07 54.13 2f62 s TYR 138 Cb 0.00 -2.04 0.06 0.00 0.35 0.00 0.00 41.96 40.33 2f62 s TYR 138 CO 0.00 -0.24 1.04 -0.40 -1.34 0.00 0.00 175.55 174.61 2f62 n ASP 139 N 4.12 2.15 0.00 4.32 5.75 -1.26 -4.98 116.55 126.65 2f62 n ASP 139 Ca -0.17 -2.04 0.00 0.00 -0.01 0.00 0.00 54.79 52.56 2f62 n ASP 139 Cb 0.52 -0.05 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 2f62 n ASP 139 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2f62 n GLY 140 N -0.39 2.85 3.77 6.12 0.00 -1.26 -5.07 105.19 111.20 2f62 n GLY 140 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2f62 n GLY 140 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2f62 s VAL 141 N -2.58 3.46 0.30 1.61 1.01 -1.26 -4.98 120.40 117.96 2f62 s VAL 141 Ca 0.00 1.34 -0.28 0.00 0.00 0.00 0.00 61.98 63.04 2f62 s VAL 141 Cb 0.00 -3.81 -0.14 0.00 0.00 0.00 0.00 36.38 32.44 2f62 s VAL 141 CO 0.00 0.23 1.08 1.21 0.00 0.00 0.00 175.10 177.62 2f62 n GLU 142 N 0.71 1.52 -2.85 2.72 2.13 -1.26 -4.94 120.64 118.67 2f62 n GLU 142 Ca 0.01 0.53 -0.42 0.00 0.66 0.00 0.00 57.16 57.94 2f62 n GLU 142 Cb 0.46 -1.95 -0.04 0.00 0.27 0.00 0.00 31.44 30.18 2f62 n GLU 142 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 2f62 s VAL 143 N -1.03 4.71 0.66 6.31 1.01 -1.26 -4.59 120.40 126.21 2f62 s VAL 143 Ca 0.58 1.36 -0.08 0.00 0.00 0.00 0.00 61.98 63.84 2f62 s VAL 143 Cb -0.68 -4.23 0.03 0.00 0.00 0.00 0.00 36.38 31.50 2f62 s VAL 143 CO 0.60 -0.31 1.00 -0.36 0.00 0.00 0.00 175.10 176.03 2f62 s PHE 144 N 3.16 3.19 -0.54 5.22 0.08 -0.43 -4.93 117.98 123.73 2f62 s PHE 144 Ca 0.36 0.74 0.24 0.00 0.12 0.00 0.00 56.93 58.39 2f62 s PHE 144 Cb -0.14 -2.98 0.24 0.00 -0.57 0.00 0.00 43.02 39.57 2f62 s PHE 144 CO 0.13 -1.12 1.24 -0.44 -0.10 0.00 0.00 175.22 174.94 2f62 h ASP 145 N -0.47 0.00 -4.92 1.36 5.19 -1.87 -1.92 116.42 113.78 2f62 h ASP 145 Ca -0.45 -0.18 0.07 0.00 -0.62 0.00 0.00 57.03 55.85 2f62 h ASP 145 Cb 1.27 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 40.67 2f62 h ASP 145 CO 0.62 0.09 0.36 -0.94 -3.12 0.00 0.00 179.24 176.25 2f62 s SER 146 N -4.50 -0.39 0.17 6.45 1.04 -1.26 -4.49 113.70 110.73 2f62 s SER 146 Ca 0.05 -0.15 -0.14 0.00 0.48 0.00 0.00 55.95 56.19 2f62 s SER 146 Cb 0.12 0.52 0.10 0.00 0.10 0.00 0.00 66.02 66.86 2f62 s SER 146 CO 0.74 -0.88 1.81 0.15 0.98 0.00 0.00 173.24 176.04 2f62 h PHE 147 N 2.00 0.55 -0.73 5.02 3.57 -1.96 -2.60 116.94 122.79 2f62 h PHE 147 Ca -0.26 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.21 2f62 h PHE 147 Cb 1.26 -0.18 -0.03 0.00 2.79 0.00 0.00 35.95 39.80 2f62 h PHE 147 CO 0.29 0.31 0.28 1.49 -2.23 0.00 0.00 178.31 178.45 2f62 h GLU 148 N 0.59 1.08 -0.53 1.11 4.81 -1.98 0.44 114.58 120.10 2f62 h GLU 148 Ca 0.20 -0.19 -0.11 0.00 -0.13 0.00 0.00 59.36 59.13 2f62 h GLU 148 Cb 0.03 -0.18 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2f62 h GLU 148 CO -0.10 0.89 -0.11 0.77 -0.73 0.00 0.00 179.01 179.73 2f62 h SER 149 N 1.06 1.01 -0.79 1.04 0.02 -1.94 -0.73 113.55 113.23 2f62 h SER 149 Ca 0.24 -0.33 -0.04 0.00 -0.84 0.00 0.00 61.79 60.82 2f62 h SER 149 Cb 0.22 -0.28 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 2f62 h SER 149 CO -0.02 1.12 0.33 0.00 -1.14 0.00 0.00 176.83 177.12 2f62 h ALA 150 N 0.96 1.02 -0.48 3.77 0.00 -1.04 -2.59 119.26 120.90 2f62 h ALA 150 Ca 0.14 -0.19 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 2f62 h ALA 150 Cb 0.67 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2f62 h ALA 150 CO 0.05 0.64 0.03 0.35 0.00 0.00 0.00 179.25 180.31 2f62 h PHE 151 N 1.14 0.82 -0.83 0.00 3.57 -0.50 -1.35 116.94 119.79 2f62 h PHE 151 Ca 0.26 -0.10 -0.01 0.00 3.53 0.00 0.00 57.97 61.65 2f62 h PHE 151 Cb 0.20 -0.23 -0.04 0.00 2.79 0.00 0.00 35.95 38.67 2f62 h PHE 151 CO 0.02 0.74 0.46 0.87 -2.23 0.00 0.00 178.31 178.17 2f62 h LYS 152 N 0.73 1.15 -0.62 1.11 1.57 -0.86 -0.88 116.57 118.77 2f62 h LYS 152 Ca 0.15 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.78 2f62 h LYS 152 Cb 0.40 -0.23 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 2f62 h LYS 152 CO 0.01 0.84 0.33 -0.92 -0.57 0.00 0.00 179.45 179.14 2f62 h TYR 153 N 1.15 0.87 -0.28 -1.35 3.20 -1.04 -2.00 116.97 117.52 2f62 h TYR 153 Ca 0.29 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.18 2f62 h TYR 153 Cb 0.02 -0.28 -0.04 0.00 1.54 0.00 0.00 36.73 37.98 2f62 h TYR 153 CO 0.00 0.64 0.04 0.35 -1.64 0.00 0.00 178.16 177.55 2f62 h PHE 154 N 0.85 0.06 -0.20 -3.82 3.57 -0.69 -1.33 116.94 115.38 2f62 h PHE 154 Ca 0.22 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.70 2f62 h PHE 154 Cb 0.07 0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.82 2f62 h PHE 154 CO -0.00 -0.00 -0.04 -0.07 -2.23 0.00 0.00 178.31 175.97 2f62 h LEU 155 N 0.13 0.28 -0.21 0.59 3.38 -0.94 0.21 115.31 118.75 2f62 h LEU 155 Ca 0.13 -0.04 -0.14 0.00 0.09 0.00 0.00 57.88 57.92 2f62 h LEU 155 Cb 0.15 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 40.81 2f62 h LEU 155 CO -0.19 0.36 -0.66 0.00 0.09 0.00 0.00 178.44 178.04 2f62 h ALA 156 N 1.67 0.64 -0.00 1.53 0.00 -0.92 -3.38 119.26 118.80 2f62 h ALA 156 Ca 0.07 -0.60 0.00 0.00 0.00 0.00 0.00 54.91 54.38 2f62 h ALA 156 Cb 0.26 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.95 2f62 h ALA 156 CO 0.01 0.83 -0.06 0.09 0.00 0.00 0.00 179.25 180.12 2f62 n ASN 157 N -3.36 0.84 -3.42 0.00 3.02 -0.54 -4.72 115.26 107.07 2f62 n ASN 157 Ca 0.01 -0.92 -0.26 0.00 -0.03 0.00 0.00 54.58 53.37 2f62 n ASN 157 Cb 0.76 0.39 -0.09 0.00 -0.61 0.00 0.00 39.78 40.22 2f62 n ASN 157 CO 0.00 0.00 0.00 0.33 -2.62 0.00 0.00 177.26 174.97 2f62 n PHE 158 N -0.30 0.28 -1.78 3.10 7.35 0.70 -5.04 117.46 121.77 2f62 n PHE 158 Ca 0.01 -3.61 -0.30 0.00 -0.76 0.00 0.00 57.45 52.80 2f62 n PHE 158 Cb 0.07 -0.11 0.05 0.00 0.35 0.00 0.00 39.48 39.85 2f62 n PHE 158 CO 0.00 0.00 0.00 -1.25 -0.76 0.00 0.00 176.76 174.75 2f62 s PRO 159 N -0.73 2.75 0.00 -7.13 0.04 -1.26 -4.70 135.00 123.97 2f62 s PRO 159 Ca 0.33 0.57 0.31 0.00 0.04 0.00 0.00 61.00 62.25 2f62 s PRO 159 Cb 0.07 -2.00 1.59 0.00 0.04 0.00 0.00 34.50 34.21 2f62 s PRO 159 CO -0.16 -1.13 2.05 0.43 0.04 0.00 0.00 177.00 178.23