#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2cff s LEU 2 N 0.00 4.38 -0.37 -0.89 1.43 0.13 -4.30 118.68 119.06 2cff s LEU 2 Ca 0.00 1.04 -0.07 0.00 -1.03 0.00 0.00 54.13 54.07 2cff s LEU 2 Cb 0.00 -2.82 0.06 0.00 0.03 0.00 0.00 46.19 43.46 2cff s LEU 2 CO 0.00 0.09 0.17 -0.69 0.23 0.00 0.00 176.35 176.15 2cff s VAL 3 N -0.04 3.86 -0.45 -1.59 1.01 -1.26 -2.02 120.40 119.91 2cff s VAL 3 Ca 0.29 -1.35 -0.10 0.00 0.00 0.00 0.00 61.98 60.83 2cff s VAL 3 Cb -0.17 -3.31 0.10 0.00 0.00 0.00 0.00 36.38 33.00 2cff s VAL 3 CO 0.15 -0.36 0.31 -0.69 0.00 0.00 0.00 175.10 174.51 2cff s VAL 4 N 1.37 4.31 0.46 2.92 1.01 0.62 -4.89 120.40 126.20 2cff s VAL 4 Ca 0.01 -1.54 -0.25 0.00 0.00 0.00 0.00 61.98 60.20 2cff s VAL 4 Cb -0.21 -3.72 -0.08 0.00 0.00 0.00 0.00 36.38 32.37 2cff s VAL 4 CO 0.02 -0.63 1.37 -2.84 0.00 0.00 0.00 175.10 173.02 2cff s PRO 5 N 1.42 3.67 -0.12 2.72 0.02 -1.26 -1.33 135.00 140.11 2cff s PRO 5 Ca 0.04 2.29 0.01 0.00 0.02 0.00 0.00 61.00 63.37 2cff s PRO 5 Cb -0.25 -2.60 -0.01 0.00 0.02 0.00 0.00 34.50 31.66 2cff s PRO 5 CO 0.01 -0.79 -0.17 0.00 -0.33 0.00 0.00 177.00 175.72 2cff s ALA 6 N -1.25 2.44 -0.12 -1.55 0.00 0.96 -0.82 121.76 121.43 2cff s ALA 6 Ca 0.62 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.68 2cff s ALA 6 Cb -0.41 -1.07 0.01 0.00 0.00 0.00 0.00 23.12 21.65 2cff s ALA 6 CO 0.52 0.24 -0.21 0.42 0.00 0.00 0.00 175.76 176.73 2cff s ILE 7 N 0.39 1.92 -0.11 0.00 1.01 0.76 -4.60 121.20 120.57 2cff s ILE 7 Ca -0.13 -0.91 -0.09 0.00 0.00 0.00 0.00 60.65 59.52 2cff s ILE 7 Cb -0.17 -1.70 -0.04 0.00 0.01 0.00 0.00 42.46 40.56 2cff s ILE 7 CO 0.06 0.53 0.19 -1.81 0.00 0.00 0.00 174.94 173.91 2cff s ASP 8 N 0.68 6.44 -0.20 3.58 1.11 -1.25 -1.67 116.67 125.38 2cff s ASP 8 Ca -0.11 0.53 -0.02 0.00 0.18 0.00 0.00 52.55 53.13 2cff s ASP 8 Cb -0.16 -2.10 -0.00 0.00 1.07 0.00 0.00 42.92 41.72 2cff s ASP 8 CO 0.02 0.37 -0.10 -0.76 1.18 0.00 0.00 175.17 175.88 2cff s LEU 9 N -0.89 2.67 -0.03 1.23 1.43 0.34 -0.82 118.68 122.61 2cff s LEU 9 Ca 0.16 -0.45 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2cff s LEU 9 Cb -0.13 -1.65 0.03 0.00 0.03 0.00 0.00 46.19 44.47 2cff s LEU 9 CO 0.05 0.02 -0.00 0.12 0.23 0.00 0.00 176.35 176.76 2cff s PHE 10 N 1.25 0.36 -1.47 0.29 5.36 -0.51 0.12 117.98 123.38 2cff s PHE 10 Ca 0.03 -0.02 -0.10 0.00 -0.96 0.00 0.00 56.93 55.88 2cff s PHE 10 Cb -0.14 -0.43 0.06 0.00 -0.34 0.00 0.00 43.02 42.16 2cff s PHE 10 CO -0.04 -0.14 0.88 0.54 -1.46 0.00 0.00 175.22 175.00 2cff n ARG 11 N 4.12 -5.20 0.00 10.12 1.74 -1.26 -1.84 116.66 124.34 2cff n ARG 11 Ca -0.26 0.59 0.00 0.00 -0.77 0.00 0.00 57.85 57.40 2cff n ARG 11 Cb 0.50 -5.35 0.00 0.00 -1.02 0.00 0.00 32.46 26.60 2cff n ARG 11 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2cff n GLY 12 N -1.67 3.01 3.74 -0.13 0.00 -1.26 -5.01 105.19 103.86 2cff n GLY 12 Ca -0.07 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.72 2cff n GLY 12 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2cff s LYS 13 N -0.24 2.33 -0.07 1.61 1.02 -0.77 -4.92 119.74 118.69 2cff s LYS 13 Ca 0.00 -1.64 -0.30 0.00 0.02 0.00 0.00 55.97 54.06 2cff s LYS 13 Cb 0.00 -2.12 -0.04 0.00 -0.52 0.00 0.00 37.83 35.14 2cff s LYS 13 CO 0.00 0.03 1.42 0.08 -0.92 0.00 0.00 175.35 175.96 2cff s VAL 14 N -2.48 3.88 0.09 3.17 1.01 -1.26 -1.42 120.40 123.38 2cff s VAL 14 Ca 0.39 1.15 0.03 0.00 0.00 0.00 0.00 61.98 63.55 2cff s VAL 14 Cb -0.01 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.60 2cff s VAL 14 CO 0.23 -0.06 -0.09 0.00 0.00 0.00 0.00 175.10 175.18 2cff s ALA 15 N 3.23 0.98 -0.01 5.51 0.00 -0.00 -1.01 121.76 130.46 2cff s ALA 15 Ca 0.63 -1.16 0.04 0.00 0.00 0.00 0.00 51.96 51.48 2cff s ALA 15 Cb -0.29 0.07 -0.01 0.00 0.00 0.00 0.00 23.12 22.89 2cff s ALA 15 CO 0.23 -0.09 -0.14 1.03 0.00 0.00 0.00 175.76 176.80 2cff s ARG 16 N -2.87 1.10 -0.23 0.00 0.52 -0.35 -3.81 118.95 113.31 2cff s ARG 16 Ca 0.05 -0.48 -0.03 0.00 -0.52 0.00 0.00 55.73 54.74 2cff s ARG 16 Cb -0.02 -1.06 0.00 0.00 0.52 0.00 0.00 34.95 34.39 2cff s ARG 16 CO -0.01 0.29 -0.04 -1.64 0.02 0.00 0.00 175.30 173.92 2cff s MET 17 N -0.31 3.18 -0.11 3.54 -1.94 -1.26 -0.53 119.30 121.87 2cff s MET 17 Ca 0.05 -0.75 -0.29 0.00 -1.71 0.00 0.00 55.69 52.99 2cff s MET 17 Cb -0.05 -3.03 -0.06 0.00 2.01 0.00 0.00 34.83 33.70 2cff s MET 17 CO -0.00 -0.28 1.93 0.42 -0.01 0.00 0.00 175.02 177.08 2cff s ILE 18 N 1.43 3.22 -1.47 2.53 1.09 -0.73 -2.16 121.20 125.12 2cff s ILE 18 Ca 0.04 0.25 -0.11 0.00 -1.10 0.00 0.00 60.65 59.73 2cff s ILE 18 Cb -0.15 -3.22 0.06 0.00 -1.06 0.00 0.00 42.46 38.10 2cff s ILE 18 CO -0.03 -0.08 0.83 0.29 -0.10 0.00 0.00 174.94 175.84 2cff n LYS 19 N 7.90 -5.14 -0.86 2.79 5.02 -1.21 -1.36 118.16 125.30 2cff n LYS 19 Ca 0.22 0.64 0.00 0.00 -2.02 0.00 0.00 58.31 57.16 2cff n LYS 19 Cb 0.43 -5.50 0.00 0.00 -0.02 0.00 0.00 35.03 29.94 2cff n LYS 19 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cff n GLY 20 N -1.57 0.51 3.63 0.72 0.00 -0.92 -4.77 105.19 102.79 2cff n GLY 20 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 2cff n GLY 20 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cff s ARG 21 N -0.53 4.08 0.15 1.61 1.81 -0.46 -4.97 118.95 120.64 2cff s ARG 21 Ca 0.00 0.94 -0.24 0.00 -1.72 0.00 0.00 55.73 54.70 2cff s ARG 21 Cb 0.00 -3.70 0.01 0.00 -0.45 0.00 0.00 34.95 30.81 2cff s ARG 21 CO 0.00 -0.71 1.62 -0.22 -0.68 0.00 0.00 175.30 175.30 2cff h LYS 22 N 7.92 -0.31 -0.47 3.54 3.11 -1.94 -1.44 116.57 126.97 2cff h LYS 22 Ca -0.22 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.64 2cff h LYS 22 Cb 1.08 0.07 0.00 0.00 -1.00 0.00 0.00 32.23 32.38 2cff h LYS 22 CO 0.95 -0.21 0.00 0.39 -2.81 0.00 0.00 179.45 177.77 2cff n GLU 23 N -5.40 2.16 -0.85 1.90 -0.58 -1.26 -2.84 120.64 113.77 2cff n GLU 23 Ca -0.02 -1.60 -0.16 0.00 -0.42 0.00 0.00 57.16 54.96 2cff n GLU 23 Cb 0.31 -1.41 0.05 0.00 -0.57 0.00 0.00 31.44 29.83 2cff n GLU 23 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 2cff n ASN 24 N 0.72 5.77 -4.74 1.62 3.02 -0.54 -4.99 115.26 116.12 2cff n ASN 24 Ca 0.15 -3.04 -0.40 0.00 -0.03 0.00 0.00 54.58 51.26 2cff n ASN 24 Cb 0.42 -0.96 -0.05 0.00 -0.61 0.00 0.00 39.78 38.58 2cff n ASN 24 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2cff s THR 25 N -2.27 4.88 0.03 3.41 2.01 -1.13 -1.77 115.64 120.80 2cff s THR 25 Ca 0.32 1.48 0.07 0.00 0.31 0.00 0.00 61.69 63.86 2cff s THR 25 Cb 0.26 -4.05 -0.02 0.00 0.01 0.00 0.00 72.50 68.70 2cff s THR 25 CO 0.01 0.34 -0.19 0.27 -0.69 0.00 0.00 174.62 174.36 2cff s ILE 26 N 0.18 1.56 -0.09 1.82 -4.36 0.31 -5.01 121.20 115.60 2cff s ILE 26 Ca 0.36 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.70 2cff s ILE 26 Cb -0.19 -1.34 -0.02 0.00 1.25 0.00 0.00 42.46 42.15 2cff s ILE 26 CO 0.20 0.25 -0.11 -0.36 0.24 0.00 0.00 174.94 175.16 2cff s PHE 27 N -0.70 2.83 -0.07 1.37 0.08 -1.26 -1.22 117.98 119.01 2cff s PHE 27 Ca 0.07 -0.26 -0.07 0.00 0.12 0.00 0.00 56.93 56.79 2cff s PHE 27 Cb -0.08 -1.75 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 2cff s PHE 27 CO 0.01 0.09 0.19 0.71 -0.10 0.00 0.00 175.22 176.11 2cff s TYR 28 N -0.32 3.60 -1.18 0.36 1.51 -0.18 -5.01 117.35 116.13 2cff s TYR 28 Ca 0.04 0.54 -0.18 0.00 -1.01 0.00 0.00 57.07 56.46 2cff s TYR 28 Cb -0.13 -1.95 0.10 0.00 -0.11 0.00 0.00 41.96 39.87 2cff s TYR 28 CO 0.02 0.70 1.53 -2.00 -1.11 0.00 0.00 175.55 174.69 2cff s GLU 29 N -1.30 3.91 0.01 -0.62 2.12 -1.26 -4.29 118.70 117.27 2cff s GLU 29 Ca 0.20 -2.00 -0.02 0.00 0.36 0.00 0.00 54.97 53.50 2cff s GLU 29 Cb -0.13 -5.29 -0.01 0.00 0.26 0.00 0.00 34.13 28.96 2cff s GLU 29 CO 0.09 -2.05 0.03 0.15 -0.54 0.00 0.00 175.26 172.94 2cff s LYS 30 N 3.37 0.27 -0.54 4.30 -0.14 -1.26 -5.12 119.74 120.63 2cff s LYS 30 Ca 0.47 -0.37 -0.27 0.00 -1.36 0.00 0.00 55.97 54.44 2cff s LYS 30 Cb 0.00 0.10 0.03 0.00 -1.68 0.00 0.00 37.83 36.29 2cff s LYS 30 CO 0.01 -0.05 1.06 0.34 -0.76 0.00 0.00 175.35 175.95 2cff s ASP 31 N -1.02 6.45 0.58 2.83 -1.08 -1.26 -4.47 116.67 118.69 2cff s ASP 31 Ca -0.11 0.01 0.28 0.00 -0.52 0.00 0.00 52.55 52.20 2cff s ASP 31 Cb -0.07 -2.50 1.57 0.00 -1.46 0.00 0.00 42.92 40.46 2cff s ASP 31 CO -0.00 -1.30 2.05 1.55 0.52 0.00 0.00 175.17 177.99 2cff h PRO 32 N 9.36 0.00 0.07 4.34 0.13 -1.97 0.36 132.00 144.28 2cff h PRO 32 Ca -0.25 0.00 -0.25 0.00 -0.87 0.00 0.00 66.00 64.63 2cff h PRO 32 Cb 1.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.18 2cff h PRO 32 CO 1.12 0.00 -1.21 0.28 -0.23 0.00 0.00 178.00 177.96 2cff h VAL 33 N 0.00 1.50 0.22 1.56 2.07 -1.94 -2.15 116.25 117.51 2cff h VAL 33 Ca 0.13 -3.15 -0.33 0.00 0.82 0.00 0.00 66.70 64.16 2cff h VAL 33 Cb 0.67 2.85 0.03 0.00 -1.52 0.00 0.00 31.29 33.31 2cff h VAL 33 CO -0.00 0.89 -1.53 -0.33 0.02 0.00 0.00 177.57 176.62 2cff h GLU 34 N 0.04 0.47 -0.39 1.57 5.08 -0.87 -2.31 114.58 118.16 2cff h GLU 34 Ca -0.11 -0.81 0.04 0.00 -1.00 0.00 0.00 59.36 57.49 2cff h GLU 34 Cb 1.90 0.30 -0.04 0.00 0.50 0.00 0.00 28.75 31.41 2cff h GLU 34 CO 0.16 1.39 0.15 1.25 -1.00 0.00 0.00 179.01 180.96 2cff h LEU 35 N 0.08 0.18 -0.53 1.33 6.46 -0.70 0.50 115.31 122.63 2cff h LEU 35 Ca -0.28 0.04 -0.01 0.00 -0.12 0.00 0.00 57.88 57.51 2cff h LEU 35 Cb 2.10 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 42.02 2cff h LEU 35 CO 0.23 0.14 0.29 0.58 -0.62 0.00 0.00 178.44 179.06 2cff h VAL 36 N 0.32 1.18 -0.40 1.05 2.07 -1.46 0.51 116.25 119.52 2cff h VAL 36 Ca 0.18 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.25 2cff h VAL 36 Cb 0.14 0.51 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 2cff h VAL 36 CO -0.17 0.20 0.24 -0.08 0.02 0.00 0.00 177.57 177.78 2cff h GLU 37 N 0.72 0.47 -0.23 1.57 4.81 -0.80 -0.67 114.58 120.45 2cff h GLU 37 Ca 0.19 -0.03 0.04 0.00 -0.13 0.00 0.00 59.36 59.42 2cff h GLU 37 Cb 0.05 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.29 2cff h GLU 37 CO -0.03 0.31 0.01 -0.22 -0.73 0.00 0.00 179.01 178.36 2cff h LYS 38 N 0.49 0.09 -0.73 1.92 1.63 0.28 -0.54 116.57 119.71 2cff h LYS 38 Ca 0.16 -0.01 0.01 0.00 -0.85 0.00 0.00 60.65 59.97 2cff h LYS 38 Cb -0.01 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.57 2cff h LYS 38 CO -0.07 0.06 0.48 -0.07 -3.45 0.00 0.00 179.45 176.40 2cff h LEU 39 N 0.09 0.81 0.80 5.20 3.38 -0.68 -0.39 115.31 124.53 2cff h LEU 39 Ca 0.11 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 58.02 2cff h LEU 39 Cb 0.13 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.68 2cff h LEU 39 CO -0.17 0.58 -0.39 0.40 0.09 0.00 0.00 178.44 178.96 2cff h ILE 40 N 0.96 0.12 -0.03 1.22 1.08 -0.31 -1.52 117.51 119.04 2cff h ILE 40 Ca 0.27 -0.13 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 2cff h ILE 40 Cb -0.07 0.15 -0.00 0.00 -3.07 0.00 0.00 36.82 33.83 2cff h ILE 40 CO -0.07 0.01 0.02 -0.33 -0.69 0.00 0.00 178.15 177.09 2cff h GLU 41 N -1.19 0.03 0.00 2.37 5.08 -0.92 0.27 114.58 120.22 2cff h GLU 41 Ca -0.11 -0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2cff h GLU 41 Cb 0.84 -0.01 0.00 0.00 0.50 0.00 0.00 28.75 30.08 2cff h GLU 41 CO 0.18 0.02 0.00 0.93 -1.00 0.00 0.00 179.01 179.14 2cff h GLU 42 N 0.04 0.00 0.00 2.33 4.39 -1.01 -3.46 114.58 116.86 2cff h GLU 42 Ca 0.01 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.71 2cff h GLU 42 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2cff h GLU 42 CO -0.00 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.26 2cff n GLY 43 N 0.27 1.76 3.71 -3.84 0.00 0.93 -5.08 105.19 102.94 2cff n GLY 43 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 2cff n GLY 43 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2cff s PHE 44 N -2.00 3.50 -0.09 1.61 0.40 -0.60 -4.98 117.98 115.82 2cff s PHE 44 Ca 0.00 0.99 0.15 0.00 -0.60 0.00 0.00 56.93 57.48 2cff s PHE 44 Cb 0.00 -2.68 -0.20 0.00 0.51 0.00 0.00 43.02 40.66 2cff s PHE 44 CO 0.00 0.07 0.66 0.25 0.70 0.00 0.00 175.22 176.89 2cff n THR 45 N 3.94 1.36 -4.85 0.64 -2.24 -1.26 -4.48 114.28 107.38 2cff n THR 45 Ca -0.04 -0.75 -0.25 0.00 -2.27 0.00 0.00 64.05 60.73 2cff n THR 45 Cb 0.51 -0.81 -0.16 0.00 -2.10 0.00 0.00 70.33 67.77 2cff n THR 45 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2cff s LEU 46 N -5.84 2.00 -0.06 3.22 2.96 -1.24 -4.37 118.68 115.35 2cff s LEU 46 Ca -0.05 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.50 2cff s LEU 46 Cb 0.08 -0.93 0.03 0.00 0.50 0.00 0.00 46.19 45.87 2cff s LEU 46 CO 0.82 0.20 0.13 -0.63 -1.32 0.00 0.00 176.35 175.55 2cff s ILE 47 N -0.28 -0.04 -0.40 6.68 1.01 -0.83 -4.01 121.20 123.33 2cff s ILE 47 Ca 0.04 0.13 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 2cff s ILE 47 Cb -0.08 -0.21 0.01 0.00 0.01 0.00 0.00 42.46 42.19 2cff s ILE 47 CO 0.00 0.05 0.38 -2.28 0.00 0.00 0.00 174.94 173.09 2cff s HIS 48 N 0.84 3.20 -0.21 3.97 2.46 0.00 -0.35 115.29 125.20 2cff s HIS 48 Ca -0.06 -0.35 -0.02 0.00 0.47 0.00 0.00 55.06 55.09 2cff s HIS 48 Cb -0.09 -2.75 0.01 0.00 -0.13 0.00 0.00 32.58 29.62 2cff s HIS 48 CO -0.04 -0.61 -0.10 0.08 -2.47 0.00 0.00 174.74 171.61 2cff s VAL 49 N 1.98 2.83 -0.21 0.89 1.01 -0.68 -0.17 120.40 126.05 2cff s VAL 49 Ca 0.10 -0.76 -0.06 0.00 0.00 0.00 0.00 61.98 61.26 2cff s VAL 49 Cb -0.17 -2.30 -0.03 0.00 0.00 0.00 0.00 36.38 33.88 2cff s VAL 49 CO 0.12 0.41 0.02 -0.69 0.00 0.00 0.00 175.10 174.96 2cff s VAL 50 N 1.38 4.14 -0.83 2.92 1.01 -0.67 -1.38 120.40 126.97 2cff s VAL 50 Ca 0.04 -0.25 -0.23 0.00 0.00 0.00 0.00 61.98 61.55 2cff s VAL 50 Cb -0.14 -2.88 0.07 0.00 0.00 0.00 0.00 36.38 33.43 2cff s VAL 50 CO -0.07 0.41 1.18 -0.62 0.00 0.00 0.00 175.10 176.01 2cff s ASP 51 N 1.05 6.36 0.29 3.32 -1.08 -0.14 -0.51 116.67 125.96 2cff s ASP 51 Ca 0.03 -1.25 0.25 0.00 -0.52 0.00 0.00 52.55 51.06 2cff s ASP 51 Cb -0.14 -2.48 1.00 0.00 -1.46 0.00 0.00 42.92 39.84 2cff s ASP 51 CO 0.02 -1.44 1.75 -0.07 0.52 0.00 0.00 175.17 175.95 2cff h LEU 52 N 11.79 0.00 0.03 -1.34 3.38 0.65 -2.36 115.31 127.46 2cff h LEU 52 Ca -0.06 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.66 2cff h LEU 52 Cb 1.04 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.76 2cff h LEU 52 CO 1.24 0.00 -1.27 0.28 0.09 0.00 0.00 178.44 178.78 2cff h SER 53 N 0.00 0.10 0.01 -0.43 0.02 -1.87 -2.92 113.55 108.46 2cff h SER 53 Ca 0.00 -0.13 -0.17 0.00 -0.84 0.00 0.00 61.79 60.65 2cff h SER 53 Cb 0.43 -0.03 0.01 0.00 0.14 0.00 0.00 62.40 62.95 2cff h SER 53 CO 0.00 1.11 -0.67 -1.13 -1.14 0.00 0.00 176.83 174.99 2cff h ASN 54 N 0.02 0.57 -0.54 3.07 -1.24 -1.48 -0.26 115.58 115.72 2cff h ASN 54 Ca -0.12 -0.78 -0.01 0.00 0.71 0.00 0.00 56.30 56.10 2cff h ASN 54 Cb 1.88 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 40.73 2cff h ASN 54 CO 0.13 1.27 0.30 0.00 -1.29 0.00 0.00 177.43 177.84 2cff h ALA 55 N 0.30 0.69 0.02 1.57 0.00 -1.54 -1.59 119.26 118.71 2cff h ALA 55 Ca -0.09 -0.09 -0.36 0.00 0.00 0.00 0.00 54.91 54.37 2cff h ALA 55 Cb 1.39 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.91 2cff h ALA 55 CO 0.13 0.21 -2.21 -0.89 0.00 0.00 0.00 179.25 176.49 2cff n ILE 56 N -4.63 1.51 -0.02 0.00 2.08 -1.10 -4.65 119.36 112.55 2cff n ILE 56 Ca 0.03 -0.76 0.00 0.00 0.56 0.00 0.00 62.75 62.58 2cff n ILE 56 Cb 0.08 -0.96 -0.07 0.00 -0.75 0.00 0.00 39.64 37.93 2cff n ILE 56 CO 0.00 0.00 0.00 -0.62 0.56 0.00 0.00 176.55 176.49 2cff n GLU 57 N -3.02 1.41 -2.19 0.38 -0.58 -0.87 -4.98 120.64 110.79 2cff n GLU 57 Ca -0.32 -0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.23 2cff n GLU 57 Cb 1.08 -1.23 -0.01 0.00 -0.57 0.00 0.00 31.44 30.71 2cff n GLU 57 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2cff n ASN 58 N -2.09 -4.39 -4.95 1.62 5.15 -0.60 -4.97 115.26 105.03 2cff n ASN 58 Ca -0.08 0.02 -0.23 0.00 -0.60 0.00 0.00 54.58 53.69 2cff n ASN 58 Cb 0.53 -3.51 -0.01 0.00 -0.53 0.00 0.00 39.78 36.25 2cff n ASN 58 CO 0.00 0.00 0.00 -0.55 1.40 0.00 0.00 177.26 178.11 2cff s SER 59 N -2.40 6.26 0.00 1.20 0.15 -0.18 -4.92 113.70 113.80 2cff s SER 59 Ca 0.00 0.33 0.09 0.00 0.70 0.00 0.00 55.95 57.06 2cff s SER 59 Cb 0.00 -1.93 0.21 0.00 -1.71 0.00 0.00 66.02 62.59 2cff s SER 59 CO 0.00 -0.27 1.11 0.61 1.20 0.00 0.00 173.24 175.89 2cff n GLY 60 N -1.71 2.10 0.45 9.45 0.00 -1.26 -3.34 105.19 110.87 2cff n GLY 60 Ca -0.05 -0.29 0.26 0.00 0.00 0.00 0.00 46.02 45.94 2cff n GLY 60 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 2cff h GLU 61 N 1.64 0.21 -0.00 1.61 5.08 -1.96 -0.89 114.58 120.26 2cff h GLU 61 Ca 0.00 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 2cff h GLU 61 Cb 0.62 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.82 2cff h GLU 61 CO 0.00 0.14 -0.25 0.09 -1.00 0.00 0.00 179.01 177.98 2cff n ASN 62 N -4.42 0.54 -0.08 1.42 3.02 -1.26 -4.23 115.26 110.24 2cff n ASN 62 Ca 0.22 -0.38 -0.07 0.00 -0.03 0.00 0.00 54.58 54.33 2cff n ASN 62 Cb 0.94 0.02 -0.01 0.00 -0.61 0.00 0.00 39.78 40.12 2cff n ASN 62 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2cff h LEU 63 N 0.44 -0.33 -0.82 3.41 3.38 -1.52 -1.41 115.31 118.47 2cff h LEU 63 Ca 0.00 0.10 0.17 0.00 0.09 0.00 0.00 57.88 58.23 2cff h LEU 63 Cb 0.46 0.21 -0.15 0.00 0.09 0.00 0.00 40.66 41.26 2cff h LEU 63 CO 0.00 -0.12 -0.18 -0.65 0.09 0.00 0.00 178.44 177.57 2cff h PRO 64 N -0.03 0.01 -0.78 1.13 0.11 -1.79 0.28 132.00 130.93 2cff h PRO 64 Ca 0.14 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.24 2cff h PRO 64 Cb 0.25 -0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.32 2cff h PRO 64 CO -0.32 0.00 0.41 0.28 -0.21 0.00 0.00 178.00 178.17 2cff h VAL 65 N 0.01 1.23 -0.20 3.15 2.07 -1.59 -2.60 116.25 118.32 2cff h VAL 65 Ca 0.40 -0.60 -0.13 0.00 0.82 0.00 0.00 66.70 67.19 2cff h VAL 65 Cb 0.62 0.20 -0.01 0.00 -1.52 0.00 0.00 31.29 30.58 2cff h VAL 65 CO -0.83 0.27 -0.44 -0.07 0.02 0.00 0.00 177.57 176.51 2cff h LEU 66 N 1.09 0.52 -1.32 2.57 3.38 0.16 1.09 115.31 122.79 2cff h LEU 66 Ca 0.27 -0.24 0.10 0.00 0.09 0.00 0.00 57.88 58.11 2cff h LEU 66 Cb 0.05 -0.15 -0.06 0.00 0.09 0.00 0.00 40.66 40.59 2cff h LEU 66 CO -0.04 0.89 0.53 -0.33 0.09 0.00 0.00 178.44 179.59 2cff h GLU 67 N 0.40 0.72 0.14 1.13 5.08 -0.32 0.21 114.58 121.93 2cff h GLU 67 Ca 0.03 -0.04 -0.34 0.00 -1.00 0.00 0.00 59.36 58.00 2cff h GLU 67 Cb 0.93 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 30.02 2cff h GLU 67 CO 0.08 0.48 -1.78 0.87 -1.00 0.00 0.00 179.01 177.66 2cff h LYS 68 N 0.74 0.31 0.00 2.33 1.57 -1.05 -3.21 116.57 117.26 2cff h LYS 68 Ca 0.38 -0.52 0.00 0.00 -1.87 0.00 0.00 60.65 58.64 2cff h LYS 68 Cb 0.49 0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2cff h LYS 68 CO -0.15 1.20 0.10 -0.07 -0.57 0.00 0.00 179.45 179.96 2cff h LEU 69 N 0.08 0.00 0.00 2.94 3.38 0.15 -2.74 115.31 119.12 2cff h LEU 69 Ca -0.34 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.63 2cff h LEU 69 Cb 2.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.81 2cff h LEU 69 CO 0.14 0.00 0.00 -1.54 0.09 0.00 0.00 178.44 177.13 2cff n SER 70 N -2.85 0.00 0.15 -0.43 3.41 0.70 -1.15 113.62 113.45 2cff n SER 70 Ca -0.02 0.26 0.08 0.00 -0.26 0.00 0.00 58.87 58.93 2cff n SER 70 Cb 0.16 -0.37 0.58 0.00 -0.26 0.00 0.00 64.21 64.32 2cff n SER 70 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2cff h GLU 71 N 0.00 0.16 -0.38 4.33 5.08 -1.70 -3.30 114.58 118.78 2cff h GLU 71 Ca 0.00 -0.01 -0.28 0.00 -1.00 0.00 0.00 59.36 58.07 2cff h GLU 71 Cb 0.15 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 29.13 2cff h GLU 71 CO 0.00 0.11 -0.68 1.19 -1.00 0.00 0.00 179.01 178.62 2cff n PHE 72 N -4.51 1.40 -0.07 4.33 3.01 -0.30 -4.85 117.46 116.47 2cff n PHE 72 Ca 0.00 -1.85 -0.13 0.00 1.01 0.00 0.00 57.45 56.48 2cff n PHE 72 Cb 0.14 -0.29 -0.06 0.00 -0.01 0.00 0.00 39.48 39.26 2cff n PHE 72 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2cff h ALA 73 N 1.62 0.31 0.00 4.37 0.00 -1.66 -2.42 119.26 121.49 2cff h ALA 73 Ca 0.18 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.74 2cff h ALA 73 Cb 1.29 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.01 2cff h ALA 73 CO 0.39 0.23 0.01 -1.91 0.00 0.00 0.00 179.25 177.96 2cff n GLU 74 N -4.45 0.00 0.00 0.00 4.07 -1.26 -0.18 120.64 118.83 2cff n GLU 74 Ca -0.05 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.06 2cff n GLU 74 Cb 0.39 -1.51 0.00 0.00 -0.06 0.00 0.00 31.44 30.27 2cff n GLU 74 CO 0.00 0.00 0.00 0.72 -0.06 0.00 0.00 177.13 177.79 2cff n HIS 75 N -0.87 0.00 -3.87 4.31 8.25 -0.95 -4.98 115.22 117.11 2cff n HIS 75 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 2cff n HIS 75 Cb 0.01 0.00 -0.06 0.00 1.12 0.00 0.00 29.99 31.05 2cff n HIS 75 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2cff s ILE 76 N -1.82 5.46 -0.19 1.59 1.01 0.75 -1.96 121.20 126.04 2cff s ILE 76 Ca 0.00 0.19 -0.04 0.00 0.00 0.00 0.00 60.65 60.80 2cff s ILE 76 Cb 0.00 -3.40 -0.02 0.00 0.01 0.00 0.00 42.46 39.05 2cff s ILE 76 CO 0.00 0.59 -0.03 0.00 0.00 0.00 0.00 174.94 175.50 2cff s GLN 77 N -0.77 3.55 -0.05 2.79 -2.07 0.53 -4.47 119.66 119.17 2cff s GLN 77 Ca 0.14 -0.56 0.01 0.00 -1.82 0.00 0.00 55.36 53.13 2cff s GLN 77 Cb -0.12 -2.98 -0.03 0.00 -1.09 0.00 0.00 33.01 28.79 2cff s GLN 77 CO 0.03 0.04 -0.06 -1.50 -1.32 0.00 0.00 175.29 172.47 2cff s ILE 78 N 0.89 3.73 0.32 3.63 1.10 -0.38 -1.68 121.20 128.82 2cff s ILE 78 Ca -0.00 -0.52 0.06 0.00 -0.51 0.00 0.00 60.65 59.68 2cff s ILE 78 Cb -0.14 -2.55 -0.02 0.00 0.15 0.00 0.00 42.46 39.89 2cff s ILE 78 CO 0.01 0.56 0.23 0.61 -2.11 0.00 0.00 174.94 174.24 2cff n GLY 79 N 2.08 3.08 0.56 1.50 0.00 -0.48 0.11 105.19 112.04 2cff n GLY 79 Ca -0.17 -1.93 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2cff n GLY 79 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cff n GLY 80 N -0.58 -1.56 3.26 -0.02 0.00 -1.26 -0.96 105.19 104.07 2cff n GLY 80 Ca 0.04 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.27 2cff n GLY 80 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cff n GLY 81 N 1.11 1.27 3.57 -0.02 0.00 -1.26 -4.42 105.19 105.44 2cff n GLY 81 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 2cff n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2cff s ILE 82 N -3.15 3.53 -0.16 -0.61 1.01 -1.26 -4.59 121.20 115.97 2cff s ILE 82 Ca 0.00 -0.62 0.02 0.00 0.00 0.00 0.00 60.65 60.04 2cff s ILE 82 Cb 0.00 -4.29 0.00 0.00 0.01 0.00 0.00 42.46 38.18 2cff s ILE 82 CO 0.00 -1.05 0.35 0.54 0.00 0.00 0.00 174.94 174.78 2cff n ARG 83 N 8.65 2.31 -3.93 2.79 1.74 -1.26 -4.63 116.66 122.33 2cff n ARG 83 Ca 0.42 -0.35 -0.10 0.00 -0.77 0.00 0.00 57.85 57.05 2cff n ARG 83 Cb 0.47 -0.84 -0.11 0.00 -1.02 0.00 0.00 32.46 30.96 2cff n ARG 83 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2cff s SER 84 N -0.57 0.14 0.18 0.55 1.04 -1.26 -4.89 113.70 108.89 2cff s SER 84 Ca 0.01 -0.35 -0.10 0.00 0.48 0.00 0.00 55.95 55.99 2cff s SER 84 Cb 0.01 0.14 0.08 0.00 0.10 0.00 0.00 66.02 66.35 2cff s SER 84 CO 0.04 -0.30 1.68 0.25 0.98 0.00 0.00 173.24 175.89 2cff h LEU 85 N 4.63 0.97 -0.80 2.42 5.85 -1.99 -2.50 115.31 123.90 2cff h LEU 85 Ca -0.31 -0.25 0.17 0.00 0.84 0.00 0.00 57.88 58.33 2cff h LEU 85 Cb 1.20 -0.26 -0.11 0.00 0.37 0.00 0.00 40.66 41.87 2cff h LEU 85 CO 0.41 0.97 0.30 -0.78 -0.34 0.00 0.00 178.44 179.01 2cff h ASP 86 N 0.93 0.24 -0.24 1.25 1.82 -1.99 0.22 116.42 118.65 2cff h ASP 86 Ca 0.19 0.13 -0.14 0.00 -0.39 0.00 0.00 57.03 56.82 2cff h ASP 86 Cb 0.40 0.13 -0.00 0.00 0.68 0.00 0.00 39.33 40.53 2cff h ASP 86 CO 0.01 0.04 -0.41 0.22 -1.61 0.00 0.00 179.24 177.49 2cff h TYR 87 N 0.40 0.88 -0.41 0.28 3.20 -1.90 -2.70 116.97 116.71 2cff h TYR 87 Ca 0.46 -0.31 0.03 0.00 3.14 0.00 0.00 58.73 62.06 2cff h TYR 87 Cb 0.78 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.85 2cff h TYR 87 CO -0.18 1.08 0.21 0.00 -1.64 0.00 0.00 178.16 177.63 2cff h ALA 88 N 0.64 0.51 -0.82 1.82 0.00 -0.87 -1.82 119.26 118.71 2cff h ALA 88 Ca 0.02 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.04 2cff h ALA 88 Cb 1.01 -0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.65 2cff h ALA 88 CO 0.09 -0.14 0.45 0.93 0.00 0.00 0.00 179.25 180.58 2cff h GLU 89 N 0.43 0.71 0.27 0.00 5.08 -0.62 0.12 114.58 120.57 2cff h GLU 89 Ca 0.17 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 2cff h GLU 89 Cb 0.07 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 2cff h GLU 89 CO -0.11 0.47 -0.19 -0.22 -1.00 0.00 0.00 179.01 177.96 2cff h LYS 90 N 0.73 -0.44 -0.51 2.33 3.64 -1.02 0.19 116.57 121.50 2cff h LYS 90 Ca 0.41 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.90 2cff h LYS 90 Cb 0.44 0.10 -0.07 0.00 -0.41 0.00 0.00 32.23 32.29 2cff h LYS 90 CO -0.28 -0.29 0.12 -0.07 -2.27 0.00 0.00 179.45 176.65 2cff h LEU 91 N -0.46 0.04 -1.09 5.20 4.07 -1.01 -2.08 115.31 119.99 2cff h LEU 91 Ca -0.02 0.09 -0.03 0.00 0.08 0.00 0.00 57.88 58.00 2cff h LEU 91 Cb 0.39 0.11 -0.03 0.00 1.08 0.00 0.00 40.66 42.21 2cff h LEU 91 CO 0.01 0.05 0.32 -0.09 -1.08 0.00 0.00 178.44 177.65 2cff h ARG 92 N 0.26 0.97 -0.77 1.13 9.65 -0.46 -1.56 114.38 123.61 2cff h ARG 92 Ca 0.25 -0.13 0.09 0.00 -1.10 0.00 0.00 59.98 59.09 2cff h ARG 92 Cb 0.33 -0.18 -0.07 0.00 -1.39 0.00 0.00 29.97 28.66 2cff h ARG 92 CO -0.32 0.75 0.42 -0.22 2.80 0.00 0.00 179.97 183.41 2cff h LYS 93 N 0.96 0.71 0.00 0.20 3.64 -0.29 -1.55 116.57 120.24 2cff h LYS 93 Ca 0.24 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.57 2cff h LYS 93 Cb 0.10 -0.16 0.00 0.00 -0.41 0.00 0.00 32.23 31.76 2cff h LYS 93 CO -0.03 0.47 0.00 1.28 -2.27 0.00 0.00 179.45 178.90 2cff n LEU 94 N -4.78 0.68 0.00 5.20 4.77 -0.66 -4.86 117.00 117.36 2cff n LEU 94 Ca 0.12 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.76 2cff n LEU 94 Cb 0.25 -0.57 0.00 0.00 -2.33 0.00 0.00 43.42 40.77 2cff n LEU 94 CO 0.27 -0.56 0.00 0.61 -1.33 0.00 0.00 177.39 176.38 2cff n GLY 95 N 0.02 0.88 3.56 -0.72 0.00 -0.58 -4.83 105.19 103.52 2cff n GLY 95 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2cff n GLY 95 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 2cff s TYR 96 N -2.00 2.42 -0.05 1.61 1.51 -0.78 -4.06 117.35 115.99 2cff s TYR 96 Ca 0.00 -0.52 0.08 0.00 -1.01 0.00 0.00 57.07 55.62 2cff s TYR 96 Cb 0.00 -4.65 -0.24 0.00 -0.11 0.00 0.00 41.96 36.96 2cff s TYR 96 CO 0.00 -1.98 0.64 0.00 -1.11 0.00 0.00 175.55 173.09 2cff h ARG 97 N 10.00 0.06 -5.26 -0.62 3.08 -1.82 -3.33 114.38 116.49 2cff h ARG 97 Ca 0.04 -0.11 -0.62 0.00 0.07 0.00 0.00 59.98 59.36 2cff h ARG 97 Cb 1.02 0.04 -0.13 0.00 0.08 0.00 0.00 29.97 30.98 2cff h ARG 97 CO 1.37 0.68 -0.20 1.03 -1.07 0.00 0.00 179.97 181.78 2cff s ARG 98 N -2.59 4.07 -0.08 0.04 0.52 -1.26 0.37 118.95 120.02 2cff s ARG 98 Ca -0.08 0.12 0.02 0.00 -0.52 0.00 0.00 55.73 55.27 2cff s ARG 98 Cb 0.08 -3.62 0.02 0.00 0.52 0.00 0.00 34.95 31.94 2cff s ARG 98 CO 0.82 -0.22 -0.11 -0.65 0.02 0.00 0.00 175.30 175.16 2cff s GLN 99 N 1.88 1.67 -0.15 3.54 -0.21 -0.64 -1.24 119.66 124.51 2cff s GLN 99 Ca 0.17 -0.38 -0.29 0.00 0.02 0.00 0.00 55.36 54.87 2cff s GLN 99 Cb -0.15 -1.45 -0.00 0.00 1.00 0.00 0.00 33.01 32.40 2cff s GLN 99 CO 0.09 -0.03 1.03 0.42 -2.12 0.00 0.00 175.29 174.67 2cff s ILE 100 N 0.88 4.72 0.22 1.08 -1.09 0.31 -0.01 121.20 127.32 2cff s ILE 100 Ca -0.10 2.02 0.11 0.00 -2.23 0.00 0.00 60.65 60.44 2cff s ILE 100 Cb -0.15 -4.30 -0.05 0.00 -1.58 0.00 0.00 42.46 36.38 2cff s ILE 100 CO 0.01 -0.06 -0.20 0.68 -1.23 0.00 0.00 174.94 174.13 2cff s VAL 101 N 2.47 2.23 0.00 2.92 -7.23 0.32 -4.27 120.40 116.84 2cff s VAL 101 Ca 0.47 -2.19 0.00 0.00 -1.81 0.00 0.00 61.98 58.45 2cff s VAL 101 Cb -0.17 -2.14 0.00 0.00 0.56 0.00 0.00 36.38 34.63 2cff s VAL 101 CO 0.14 -0.33 0.00 -1.54 -0.31 0.00 0.00 175.10 173.06 2cff n SER 102 N -0.17 0.00 -0.47 4.85 3.41 -1.26 -0.82 113.62 119.17 2cff n SER 102 Ca -0.09 0.00 0.40 0.00 -0.26 0.00 0.00 58.87 58.92 2cff n SER 102 Cb 0.58 0.00 0.74 0.00 -0.26 0.00 0.00 64.21 65.27 2cff n SER 102 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 2cff h SER 103 N 0.00 0.08 0.01 4.04 4.64 -1.92 0.22 113.55 120.61 2cff h SER 103 Ca 0.00 0.03 -0.20 0.00 -0.47 0.00 0.00 61.79 61.15 2cff h SER 103 Cb 0.00 0.02 0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2cff h SER 103 CO 0.00 -0.02 -0.71 0.50 -0.87 0.00 0.00 176.83 175.73 2cff h LYS 104 N 0.05 0.63 0.00 4.77 1.63 -1.90 -2.13 116.57 119.62 2cff h LYS 104 Ca 0.73 -0.49 -0.07 0.00 -0.85 0.00 0.00 60.65 59.97 2cff h LYS 104 Cb 2.74 0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 34.45 2cff h LYS 104 CO -0.10 1.11 -0.35 0.28 -3.45 0.00 0.00 179.45 176.95 2cff h VAL 105 N 0.45 1.20 0.00 2.00 2.07 -0.77 0.25 116.25 121.45 2cff h VAL 105 Ca -0.03 -1.21 -0.06 0.00 0.82 0.00 0.00 66.70 66.23 2cff h VAL 105 Cb 1.30 1.66 -0.01 0.00 -1.52 0.00 0.00 31.29 32.72 2cff h VAL 105 CO 0.14 0.34 -0.47 -0.07 0.02 0.00 0.00 177.57 177.53 2cff h LEU 106 N 0.00 0.00 -0.02 2.57 3.38 -1.40 -2.46 115.31 117.38 2cff h LEU 106 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 2cff h LEU 106 Cb 0.63 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.38 2cff h LEU 106 CO 0.05 0.25 -0.18 -0.33 0.09 0.00 0.00 178.44 178.32 2cff h GLU 107 N 0.00 0.15 -2.21 1.13 5.08 -0.86 -3.44 114.58 114.43 2cff h GLU 107 Ca -0.02 -0.14 -0.36 0.00 -1.00 0.00 0.00 59.36 57.84 2cff h GLU 107 Cb 1.21 0.03 -0.34 0.00 0.50 0.00 0.00 28.75 30.15 2cff h GLU 107 CO 0.03 0.84 -0.66 0.34 -1.00 0.00 0.00 179.01 178.56 2cff s ASP 108 N -6.18 1.87 0.44 1.42 2.15 0.84 -5.03 116.67 112.19 2cff s ASP 108 Ca -0.16 -0.89 0.30 0.00 0.43 0.00 0.00 52.55 52.24 2cff s ASP 108 Cb 0.01 0.40 1.44 0.00 -0.30 0.00 0.00 42.92 44.48 2cff s ASP 108 CO 0.73 -0.39 1.91 -0.65 -0.17 0.00 0.00 175.17 176.61 2cff h PRO 109 N 8.19 0.00 0.00 4.34 0.11 -1.66 -0.29 132.00 142.69 2cff h PRO 109 Ca -0.13 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.98 2cff h PRO 109 Cb 1.06 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.17 2cff h PRO 109 CO 0.34 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 178.79 2cff h SER 110 N 0.00 0.00 -1.00 -2.05 4.64 -1.93 -3.14 113.55 110.06 2cff h SER 110 Ca 0.00 0.00 0.23 0.00 -0.47 0.00 0.00 61.79 61.55 2cff h SER 110 Cb 0.24 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.23 2cff h SER 110 CO 0.00 0.00 0.63 0.15 -0.87 0.00 0.00 176.83 176.74 2cff h PHE 111 N 0.00 0.79 -0.72 4.77 3.57 -1.37 -1.22 116.94 122.76 2cff h PHE 111 Ca 0.00 0.03 0.14 0.00 3.53 0.00 0.00 57.97 61.67 2cff h PHE 111 Cb 0.25 -0.23 -0.10 0.00 2.79 0.00 0.00 35.95 38.66 2cff h PHE 111 CO 0.00 0.12 0.24 -0.07 -2.23 0.00 0.00 178.31 176.37 2cff h LEU 112 N 0.52 0.17 0.12 0.59 4.07 -1.79 -1.76 115.31 117.23 2cff h LEU 112 Ca 0.58 0.12 -0.01 0.00 0.08 0.00 0.00 57.88 58.65 2cff h LEU 112 Cb 1.26 0.12 0.00 0.00 1.08 0.00 0.00 40.66 43.12 2cff h LEU 112 CO -0.32 0.06 -0.06 0.11 -1.08 0.00 0.00 178.44 177.14 2cff h LYS 113 N 0.37 -0.16 -0.93 1.13 1.57 -1.45 -2.84 116.57 114.26 2cff h LYS 113 Ca 0.39 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.43 2cff h LYS 113 Cb 0.61 0.04 -0.13 0.00 0.08 0.00 0.00 32.23 32.82 2cff h LYS 113 CO -0.42 0.21 0.42 0.77 -0.57 0.00 0.00 179.45 179.87 2cff h SER 114 N -0.57 0.35 0.75 0.86 0.02 -1.34 0.52 113.55 114.14 2cff h SER 114 Ca -0.02 0.17 0.00 0.00 -0.84 0.00 0.00 61.79 61.10 2cff h SER 114 Cb 0.45 0.15 0.00 0.00 0.14 0.00 0.00 62.40 63.14 2cff h SER 114 CO 0.03 -0.05 0.00 -0.07 -1.14 0.00 0.00 176.83 175.60 2cff h LEU 115 N 0.37 0.00 0.00 5.07 3.38 -1.26 -2.98 115.31 119.89 2cff h LEU 115 Ca 0.61 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 58.48 2cff h LEU 115 Cb 1.22 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.96 2cff h LEU 115 CO -0.56 0.00 -1.24 0.54 0.09 0.00 0.00 178.44 177.26 2cff n ARG 116 N -2.80 0.61 0.00 1.13 1.74 0.17 -1.00 116.66 116.53 2cff n ARG 116 Ca 0.00 0.18 0.09 0.00 -0.77 0.00 0.00 57.85 57.35 2cff n ARG 116 Cb 0.24 -1.82 0.38 0.00 -1.02 0.00 0.00 32.46 30.24 2cff n ARG 116 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2cff n GLU 117 N -2.80 0.01 -0.57 5.56 1.02 -0.74 -2.84 120.64 120.27 2cff n GLU 117 Ca -0.06 0.20 0.06 0.00 -0.02 0.00 0.00 57.16 57.35 2cff n GLU 117 Cb 0.72 -1.51 0.19 0.00 -0.02 0.00 0.00 31.44 30.82 2cff n GLU 117 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 2cff n ILE 118 N -1.52 2.02 -4.24 -3.67 -5.35 -1.23 -4.97 119.36 100.40 2cff n ILE 118 Ca 0.04 -2.95 -0.34 0.00 -0.27 0.00 0.00 62.75 59.23 2cff n ILE 118 Cb 0.21 -0.16 -0.04 0.00 -1.74 0.00 0.00 39.64 37.90 2cff n ILE 118 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2cff n ASP 119 N -1.07 -1.83 -4.67 7.28 2.03 -1.13 -4.95 116.55 112.20 2cff n ASP 119 Ca 0.18 -1.09 -0.35 0.00 0.52 0.00 0.00 54.79 54.05 2cff n ASP 119 Cb 0.71 -2.46 -0.09 0.00 -0.72 0.00 0.00 41.12 38.55 2cff n ASP 119 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 2cff s VAL 120 N -3.58 4.50 -0.57 5.18 1.01 -0.17 -4.81 120.40 121.97 2cff s VAL 120 Ca 0.50 -0.16 -0.18 0.00 0.00 0.00 0.00 61.98 62.14 2cff s VAL 120 Cb -0.28 -2.94 0.10 0.00 0.00 0.00 0.00 36.38 33.26 2cff s VAL 120 CO 0.95 0.56 0.64 -0.70 0.00 0.00 0.00 175.10 176.55 2cff s GLU 121 N -0.47 3.04 -0.11 2.72 2.56 0.16 -4.07 118.70 122.53 2cff s GLU 121 Ca 0.09 -1.36 -0.29 0.00 0.00 0.00 0.00 54.97 53.41 2cff s GLU 121 Cb -0.12 -4.25 -0.04 0.00 2.00 0.00 0.00 34.13 31.72 2cff s GLU 121 CO 0.02 -1.44 1.62 -2.14 -0.56 0.00 0.00 175.26 172.76 2cff s PRO 122 N 2.41 4.07 -0.31 4.30 0.02 -1.26 -1.62 135.00 142.62 2cff s PRO 122 Ca 0.10 2.02 -0.07 0.00 0.02 0.00 0.00 61.00 63.07 2cff s PRO 122 Cb -0.25 -3.99 0.02 0.00 0.02 0.00 0.00 34.50 30.30 2cff s PRO 122 CO 0.06 -0.96 0.09 0.08 -0.33 0.00 0.00 177.00 175.93 2cff s VAL 123 N 4.35 3.90 -0.12 3.83 1.01 0.99 -4.51 120.40 129.86 2cff s VAL 123 Ca 0.72 -0.82 -0.28 0.00 0.00 0.00 0.00 61.98 61.60 2cff s VAL 123 Cb -0.30 -3.07 -0.01 0.00 0.00 0.00 0.00 36.38 33.00 2cff s VAL 123 CO 0.28 0.01 0.95 0.12 0.00 0.00 0.00 175.10 176.46 2cff s PHE 124 N 1.47 3.50 -0.38 5.22 5.36 -0.89 -0.52 117.98 131.73 2cff s PHE 124 Ca 0.01 1.50 -0.26 0.00 -0.96 0.00 0.00 56.93 57.23 2cff s PHE 124 Cb -0.18 -3.13 0.02 0.00 -0.34 0.00 0.00 43.02 39.39 2cff s PHE 124 CO 0.02 -0.21 0.92 0.45 -1.46 0.00 0.00 175.22 174.95 2cff s SER 125 N 1.09 6.64 -0.42 6.13 0.15 0.00 -1.28 113.70 126.01 2cff s SER 125 Ca 0.46 0.49 -0.06 0.00 0.70 0.00 0.00 55.95 57.53 2cff s SER 125 Cb -0.18 -2.46 0.10 0.00 -1.71 0.00 0.00 66.02 61.77 2cff s SER 125 CO 0.17 -0.89 0.24 -0.22 1.20 0.00 0.00 173.24 173.75 2cff s LEU 126 N 3.51 5.25 0.05 3.45 2.96 0.64 -4.81 118.68 129.72 2cff s LEU 126 Ca 0.38 -1.79 -0.20 0.00 -0.22 0.00 0.00 54.13 52.30 2cff s LEU 126 Cb -0.12 -1.92 -0.06 0.00 0.50 0.00 0.00 46.19 44.59 2cff s LEU 126 CO 0.20 -0.56 0.57 -0.69 -1.32 0.00 0.00 176.35 174.55 2cff s VAL 127 N 1.29 4.80 0.01 1.68 1.01 -1.26 -0.53 120.40 127.40 2cff s VAL 127 Ca 0.05 1.22 -0.00 0.00 0.00 0.00 0.00 61.98 63.24 2cff s VAL 127 Cb -0.24 -3.91 -0.01 0.00 0.00 0.00 0.00 36.38 32.23 2cff s VAL 127 CO -0.01 0.51 -0.00 0.42 0.00 0.00 0.00 175.10 176.02 2cff s THR 128 N -0.81 0.05 -0.08 3.92 -4.23 -0.85 -1.93 115.64 111.72 2cff s THR 128 Ca 0.29 -0.44 0.04 0.00 -1.18 0.00 0.00 61.69 60.41 2cff s THR 128 Cb -0.19 -0.14 0.00 0.00 1.34 0.00 0.00 72.50 73.51 2cff s THR 128 CO 0.18 -0.24 -0.20 -0.13 -0.54 0.00 0.00 174.62 173.70 2cff s ARG 129 N -0.70 2.44 -1.34 3.99 0.52 -0.24 -3.57 118.95 120.05 2cff s ARG 129 Ca -0.08 -0.71 0.00 0.00 -0.52 0.00 0.00 55.73 54.42 2cff s ARG 129 Cb -0.05 -1.93 0.00 0.00 0.52 0.00 0.00 34.95 33.49 2cff s ARG 129 CO -0.00 0.16 0.00 0.41 0.02 0.00 0.00 175.30 175.89 2cff n GLY 130 N 3.50 0.25 1.48 -3.53 0.00 -1.26 -0.76 105.19 104.87 2cff n GLY 130 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2cff n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cff n GLY 131 N -0.61 0.64 3.32 -0.02 0.00 -1.26 -5.05 105.19 102.20 2cff n GLY 131 Ca -0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.53 2cff n GLY 131 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2cff s ARG 132 N -0.26 3.31 0.24 1.61 0.52 0.06 -4.73 118.95 119.70 2cff s ARG 132 Ca 0.00 -0.71 -0.31 0.00 -0.52 0.00 0.00 55.73 54.19 2cff s ARG 132 Cb 0.00 -2.67 -0.13 0.00 0.52 0.00 0.00 34.95 32.67 2cff s ARG 132 CO 0.00 0.09 1.48 0.28 0.02 0.00 0.00 175.30 177.17 2cff n VAL 133 N 3.89 0.81 -1.57 3.52 0.31 -1.26 -1.08 118.33 122.94 2cff n VAL 133 Ca -0.19 -0.20 -0.32 0.00 -0.01 0.00 0.00 64.34 63.63 2cff n VAL 133 Cb 0.52 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.79 2cff n VAL 133 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2cff n ALA 134 N 2.22 6.79 -1.77 3.52 0.00 -0.81 -4.47 120.51 125.99 2cff n ALA 134 Ca 0.12 -3.33 -0.39 0.00 0.00 0.00 0.00 53.44 49.83 2cff n ALA 134 Cb 0.32 -2.63 -0.02 0.00 0.00 0.00 0.00 19.45 17.12 2cff n ALA 134 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 2cff s PHE 135 N -0.37 3.06 0.40 0.00 0.40 -1.26 -4.94 117.98 115.26 2cff s PHE 135 Ca 0.60 1.51 0.12 0.00 -0.60 0.00 0.00 56.93 58.56 2cff s PHE 135 Cb 0.26 -3.50 0.84 0.00 0.51 0.00 0.00 43.02 41.12 2cff s PHE 135 CO -0.11 -1.53 1.92 0.87 0.70 0.00 0.00 175.22 177.07 2cff h LYS 136 N 2.91 0.10 -7.03 0.44 1.79 -1.99 -3.41 116.57 109.39 2cff h LYS 136 Ca -0.49 -0.03 -0.47 0.00 -2.18 0.00 0.00 60.65 57.49 2cff h LYS 136 Cb 1.23 -0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.89 2cff h LYS 136 CO 0.63 0.31 0.39 0.20 -1.08 0.00 0.00 179.45 179.91 2cff s GLY 137 N -4.16 2.59 0.02 3.86 0.00 -1.26 -5.00 107.32 103.36 2cff s GLY 137 Ca -0.04 0.61 -0.14 0.00 0.00 0.00 0.00 44.72 45.15 2cff s GLY 137 CO 0.72 0.97 1.12 -0.25 0.00 0.00 0.00 173.10 175.66 2cff h TRP 138 N 1.99 -0.46 -0.20 1.90 7.01 -2.00 -2.52 115.95 121.67 2cff h TRP 138 Ca -0.49 -0.01 -0.12 0.00 2.11 0.00 0.00 58.89 60.38 2cff h TRP 138 Cb 1.21 0.15 -0.01 0.00 -2.10 0.00 0.00 29.16 28.41 2cff h TRP 138 CO 0.58 -0.29 -0.40 1.25 -2.79 0.00 0.00 178.44 176.80 2cff h LEU 139 N -0.53 0.49 -0.71 0.65 5.85 -1.97 -2.31 115.31 116.78 2cff h LEU 139 Ca -0.05 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.52 2cff h LEU 139 Cb 0.38 -0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.22 2cff h LEU 139 CO 0.08 0.84 0.41 0.00 -0.34 0.00 0.00 178.44 179.43 2cff h ALA 140 N 1.18 0.96 0.00 1.25 0.00 -1.95 0.26 119.26 120.96 2cff h ALA 140 Ca 0.04 0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 2cff h ALA 140 Cb 0.87 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.49 2cff h ALA 140 CO 0.07 0.10 -0.75 1.05 0.00 0.00 0.00 179.25 179.73 2cff h GLU 141 N 0.75 0.00 0.07 0.00 -0.00 -1.15 -1.68 114.58 112.57 2cff h GLU 141 Ca 0.32 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 59.67 2cff h GLU 141 Cb 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 28.93 2cff h GLU 141 CO -0.18 0.39 -0.03 1.49 -0.00 0.00 0.00 179.01 180.68 2cff h GLU 142 N 0.00 -0.09 0.00 1.06 4.57 -1.17 -3.37 114.58 115.58 2cff h GLU 142 Ca -0.05 0.01 -0.21 0.00 -1.18 0.00 0.00 59.36 57.93 2cff h GLU 142 Cb 1.39 0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 29.96 2cff h GLU 142 CO 0.05 0.29 -2.16 0.39 -1.18 0.00 0.00 179.01 176.41 2cff n GLU 143 N -4.95 0.67 -2.86 1.92 -0.58 0.88 -4.85 120.64 110.87 2cff n GLU 143 Ca -0.08 -0.06 -0.43 0.00 -0.42 0.00 0.00 57.16 56.17 2cff n GLU 143 Cb 0.22 -1.55 -0.04 0.00 -0.57 0.00 0.00 31.44 29.50 2cff n GLU 143 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 2cff s ILE 144 N -2.91 4.48 0.43 -3.67 1.01 -0.64 -5.02 121.20 114.87 2cff s ILE 144 Ca -0.09 0.49 -0.25 0.00 0.00 0.00 0.00 60.65 60.80 2cff s ILE 144 Cb 0.09 -4.45 -0.08 0.00 0.01 0.00 0.00 42.46 38.03 2cff s ILE 144 CO 0.86 -0.92 1.29 -1.81 0.00 0.00 0.00 174.94 174.35 2cff s ASP 145 N 2.47 6.16 0.23 3.58 -0.00 -1.26 -4.31 116.67 123.54 2cff s ASP 145 Ca 0.33 2.62 -0.07 0.00 -0.00 0.00 0.00 52.55 55.43 2cff s ASP 145 Cb -0.11 -2.63 0.40 0.00 -0.00 0.00 0.00 42.92 40.57 2cff s ASP 145 CO 0.23 -0.95 1.69 -0.65 -0.00 0.00 0.00 175.17 175.49 2cff h PRO 146 N 2.43 0.26 -0.61 8.23 0.11 -1.96 -1.55 132.00 138.91 2cff h PRO 146 Ca -0.50 -0.02 0.07 0.00 0.11 0.00 0.00 66.00 65.66 2cff h PRO 146 Cb 1.25 -0.06 -0.06 0.00 0.11 0.00 0.00 31.00 32.25 2cff h PRO 146 CO 0.62 0.17 0.30 0.28 -0.21 0.00 0.00 178.00 179.15 2cff h VAL 147 N 0.26 0.90 -0.59 3.15 2.07 -1.93 -2.21 116.25 117.91 2cff h VAL 147 Ca 0.38 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.72 2cff h VAL 147 Cb 0.62 0.30 -0.03 0.00 -1.52 0.00 0.00 31.29 30.66 2cff h VAL 147 CO -0.48 0.10 0.39 0.28 0.02 0.00 0.00 177.57 177.88 2cff h SER 148 N 0.55 0.67 0.10 0.57 0.02 -1.67 0.97 113.55 114.76 2cff h SER 148 Ca 0.28 -0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2cff h SER 148 Cb 0.24 -0.17 0.00 0.00 0.14 0.00 0.00 62.40 62.61 2cff h SER 148 CO -0.22 0.49 -0.05 0.25 -1.14 0.00 0.00 176.83 176.17 2cff h LEU 149 N 0.80 -0.11 -0.58 5.07 5.85 -1.04 -3.03 115.31 122.26 2cff h LEU 149 Ca 0.21 -0.38 -0.15 0.00 0.84 0.00 0.00 57.88 58.41 2cff h LEU 149 Cb -0.09 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2cff h LEU 149 CO -0.05 0.35 -0.50 -0.07 -0.34 0.00 0.00 178.44 177.83 2cff h LEU 150 N -0.60 0.59 -0.96 2.25 3.38 -1.28 -0.44 115.31 118.26 2cff h LEU 150 Ca -0.01 -0.30 0.08 0.00 0.09 0.00 0.00 57.88 57.74 2cff h LEU 150 Cb 0.48 -0.17 -0.07 0.00 0.09 0.00 0.00 40.66 40.99 2cff h LEU 150 CO 0.02 0.99 0.60 0.11 0.09 0.00 0.00 178.44 180.25 2cff h LYS 151 N 0.43 1.02 -0.13 1.13 1.57 -0.90 0.61 116.57 120.29 2cff h LYS 151 Ca 0.02 -0.06 -0.21 0.00 -1.87 0.00 0.00 60.65 58.53 2cff h LYS 151 Cb 1.02 -0.23 0.01 0.00 0.08 0.00 0.00 32.23 33.11 2cff h LYS 151 CO 0.09 0.67 -0.76 0.00 -0.57 0.00 0.00 179.45 178.88 2cff h ARG 152 N 1.05 0.66 -0.17 3.15 3.08 -1.33 -3.17 114.38 117.66 2cff h ARG 152 Ca 0.44 -0.54 -0.05 0.00 0.07 0.00 0.00 59.98 59.89 2cff h ARG 152 Cb 0.28 0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.43 2cff h ARG 152 CO -0.21 1.16 -0.13 -0.07 -1.07 0.00 0.00 179.97 179.66 2cff h LEU 153 N 0.45 0.26 -1.32 3.04 3.38 -0.63 -2.43 115.31 118.06 2cff h LEU 153 Ca -0.05 -0.05 0.16 0.00 0.09 0.00 0.00 57.88 58.02 2cff h LEU 153 Cb 1.38 -0.07 -0.07 0.00 0.09 0.00 0.00 40.66 41.99 2cff h LEU 153 CO 0.15 0.42 0.58 0.11 0.09 0.00 0.00 178.44 179.78 2cff h LYS 154 N 0.26 0.62 0.00 1.13 1.79 0.25 0.14 116.57 120.76 2cff h LYS 154 Ca 0.05 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.47 2cff h LYS 154 Cb 0.39 -0.14 -0.00 0.00 -1.58 0.00 0.00 32.23 30.90 2cff h LYS 154 CO 0.02 0.41 -0.08 0.93 -1.08 0.00 0.00 179.45 179.65 2cff h GLU 155 N 0.64 0.00 -0.72 3.15 4.39 -1.48 -0.46 114.58 120.09 2cff h GLU 155 Ca 0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.07 2cff h GLU 155 Cb 0.81 0.00 -0.05 0.00 -0.10 0.00 0.00 28.75 29.41 2cff h GLU 155 CO -0.21 0.08 0.10 0.66 -1.16 0.00 0.00 179.01 178.48 2cff n TYR 156 N -3.59 1.88 -0.78 4.33 4.02 0.46 -4.91 117.16 118.57 2cff n TYR 156 Ca -0.02 -0.79 0.00 0.00 -0.01 0.00 0.00 57.90 57.08 2cff n TYR 156 Cb 0.20 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.00 2cff n TYR 156 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2cff n GLY 157 N 0.26 0.58 3.77 2.72 0.00 -0.18 -4.44 105.19 107.89 2cff n GLY 157 Ca 0.28 -0.32 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 2cff n GLY 157 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2cff s LEU 158 N 0.00 4.41 0.08 0.99 2.96 -1.07 -4.94 118.68 121.11 2cff s LEU 158 Ca 0.00 2.71 0.00 0.00 -0.22 0.00 0.00 54.13 56.62 2cff s LEU 158 Cb 0.00 -3.65 0.00 0.00 0.50 0.00 0.00 46.19 43.04 2cff s LEU 158 CO 0.00 -0.58 0.00 -0.62 -1.32 0.00 0.00 176.35 173.83 2cff n GLU 159 N 0.98 0.00 -4.78 1.98 -0.58 -1.26 -4.58 120.64 112.39 2cff n GLU 159 Ca 0.01 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.42 2cff n GLU 159 Cb 0.41 -0.44 -0.12 0.00 -0.57 0.00 0.00 31.44 30.72 2cff n GLU 159 CO 0.00 0.00 0.00 -1.21 -0.48 0.00 0.00 177.13 175.44 2cff s GLU 160 N -2.00 2.52 0.30 3.49 2.02 -1.26 -1.77 118.70 121.99 2cff s GLU 160 Ca 0.00 -0.69 0.03 0.00 0.02 0.00 0.00 54.97 54.33 2cff s GLU 160 Cb 0.00 -2.41 -0.06 0.00 0.10 0.00 0.00 34.13 31.76 2cff s GLU 160 CO 0.00 0.62 0.06 0.96 0.02 0.00 0.00 175.26 176.92 2cff s ILE 161 N -0.79 1.01 -0.16 -1.63 -5.25 0.13 -2.10 121.20 112.41 2cff s ILE 161 Ca 0.12 -2.01 0.01 0.00 -0.99 0.00 0.00 60.65 57.78 2cff s ILE 161 Cb -0.11 -2.70 0.02 0.00 2.95 0.00 0.00 42.46 42.63 2cff s ILE 161 CO 0.02 -0.04 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.28 2cff s VAL 162 N -3.43 1.73 -0.37 8.37 1.01 -0.41 -1.76 120.40 125.54 2cff s VAL 162 Ca 0.36 -0.76 -0.14 0.00 0.00 0.00 0.00 61.98 61.44 2cff s VAL 162 Cb 0.08 -1.62 -0.00 0.00 0.00 0.00 0.00 36.38 34.84 2cff s VAL 162 CO 0.14 0.46 0.26 -2.28 0.00 0.00 0.00 175.10 173.68 2cff s HIS 163 N 1.42 3.23 -0.17 5.22 2.46 -0.03 -0.26 115.29 127.16 2cff s HIS 163 Ca 0.04 -0.39 -0.02 0.00 0.47 0.00 0.00 55.06 55.16 2cff s HIS 163 Cb -0.13 -2.52 -0.01 0.00 -0.13 0.00 0.00 32.58 29.79 2cff s HIS 163 CO -0.11 -0.46 -0.09 0.99 -2.47 0.00 0.00 174.74 172.59 2cff s THR 164 N 1.70 3.19 -0.89 0.89 2.01 0.31 -0.40 115.64 122.44 2cff s THR 164 Ca 0.06 -0.59 -0.16 0.00 0.31 0.00 0.00 61.69 61.30 2cff s THR 164 Cb -0.18 -2.39 0.17 0.00 0.01 0.00 0.00 72.50 70.12 2cff s THR 164 CO 0.10 0.49 0.97 -1.61 -0.69 0.00 0.00 174.62 173.88 2cff s GLU 165 N 0.82 3.63 0.21 4.92 2.02 0.73 -2.00 118.70 129.03 2cff s GLU 165 Ca -0.03 -2.13 -0.09 0.00 0.02 0.00 0.00 54.97 52.74 2cff s GLU 165 Cb -0.15 -4.69 0.29 0.00 0.10 0.00 0.00 34.13 29.68 2cff s GLU 165 CO 0.01 -1.54 1.76 0.97 0.02 0.00 0.00 175.26 176.48 2cff h ILE 166 N 5.29 0.81 0.00 -1.63 -0.00 -1.85 -2.14 117.51 117.99 2cff h ILE 166 Ca 0.14 -0.17 0.00 0.00 -0.00 0.00 0.00 64.86 64.83 2cff h ILE 166 Cb 1.03 0.28 0.00 0.00 -0.00 0.00 0.00 36.82 38.13 2cff h ILE 166 CO 0.95 0.09 0.00 -0.62 -0.00 0.00 0.00 178.15 178.56 2cff n GLU 167 N -4.94 0.18 -0.09 2.19 -0.58 -1.26 -3.54 120.64 112.60 2cff n GLU 167 Ca 0.09 0.08 -0.14 0.00 -0.42 0.00 0.00 57.16 56.76 2cff n GLU 167 Cb 0.26 -1.50 -0.08 0.00 -0.57 0.00 0.00 31.44 29.55 2cff n GLU 167 CO 0.00 0.00 0.00 0.87 -0.48 0.00 0.00 177.13 177.52 2cff h LYS 168 N 0.00 0.00 -6.86 3.49 1.57 -1.72 -3.47 116.57 109.57 2cff h LYS 168 Ca 0.00 0.00 -0.51 0.00 -1.87 0.00 0.00 60.65 58.27 2cff h LYS 168 Cb 0.31 0.00 0.04 0.00 0.08 0.00 0.00 32.23 32.66 2cff h LYS 168 CO 0.00 0.67 0.54 0.34 -0.57 0.00 0.00 179.45 180.43 2cff s ASP 169 N -6.36 6.92 0.00 0.86 2.15 -1.22 -1.96 116.67 117.06 2cff s ASP 169 Ca -0.21 2.44 0.00 0.00 0.43 0.00 0.00 52.55 55.20 2cff s ASP 169 Cb 0.03 -2.63 0.00 0.00 -0.30 0.00 0.00 42.92 40.02 2cff s ASP 169 CO 0.46 -0.40 0.00 0.61 -0.17 0.00 0.00 175.17 175.67 2cff n GLY 170 N 0.92 0.95 3.85 2.66 0.00 -1.26 -3.33 105.19 108.98 2cff n GLY 170 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 46.02 45.91 2cff n GLY 170 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2cff s THR 171 N -2.00 0.00 0.37 2.61 -4.23 -0.83 -4.92 115.64 106.64 2cff s THR 171 Ca 0.00 -0.98 0.10 0.00 -1.18 0.00 0.00 61.69 59.62 2cff s THR 171 Cb 0.00 -2.16 0.33 0.00 1.34 0.00 0.00 72.50 72.01 2cff s THR 171 CO 0.00 0.00 1.88 0.25 -0.54 0.00 0.00 174.62 176.21 2cff h LEU 172 N 2.00 0.61 -9.22 4.79 5.85 -1.98 -3.46 115.31 113.91 2cff h LEU 172 Ca -0.21 0.03 -0.66 0.00 0.84 0.00 0.00 57.88 57.88 2cff h LEU 172 Cb 1.25 -0.09 0.09 0.00 0.37 0.00 0.00 40.66 42.29 2cff h LEU 172 CO 0.26 0.32 -0.06 0.00 -0.34 0.00 0.00 178.44 178.62 2cff n GLN 173 N -4.54 0.69 -3.50 1.25 6.02 -1.26 -4.83 117.38 111.20 2cff n GLN 173 Ca 0.16 0.24 -0.37 0.00 -0.01 0.00 0.00 57.00 57.03 2cff n GLN 173 Cb 0.46 -1.54 -0.06 0.00 1.02 0.00 0.00 30.24 30.12 2cff n GLN 173 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 2cff s GLU 174 N -0.84 3.88 0.23 -1.09 0.41 -1.26 -4.32 118.70 115.71 2cff s GLU 174 Ca 0.68 0.36 -0.32 0.00 -0.41 0.00 0.00 54.97 55.29 2cff s GLU 174 Cb -0.89 -3.13 -0.13 0.00 -1.78 0.00 0.00 34.13 28.20 2cff s GLU 174 CO 0.56 0.63 1.48 1.58 -0.49 0.00 0.00 175.26 179.02 2cff n HIS 175 N 1.47 2.30 -2.48 1.61 -0.00 0.18 -4.89 115.22 113.41 2cff n HIS 175 Ca -0.11 0.36 -0.39 0.00 -0.00 0.00 0.00 57.72 57.57 2cff n HIS 175 Cb 0.52 -2.50 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 2cff n HIS 175 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2cff s ASP 176 N 0.47 6.39 0.53 0.26 -1.08 -1.26 -4.81 116.67 117.17 2cff s ASP 176 Ca 0.70 -1.87 0.35 0.00 -0.52 0.00 0.00 52.55 51.21 2cff s ASP 176 Cb -0.63 -2.58 1.69 0.00 -1.46 0.00 0.00 42.92 39.95 2cff s ASP 176 CO 0.46 -1.62 2.06 -0.26 0.52 0.00 0.00 175.17 176.33 2cff h PHE 177 N 8.88 0.00 0.20 -5.34 -1.00 -1.99 -2.84 116.94 114.85 2cff h PHE 177 Ca 0.31 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 61.08 2cff h PHE 177 Cb 0.94 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.50 2cff h PHE 177 CO 1.34 0.00 -0.10 0.77 -1.61 0.00 0.00 178.31 178.71 2cff h SER 178 N 0.00 -0.23 0.01 2.17 0.02 -2.00 -1.14 113.55 112.39 2cff h SER 178 Ca 0.00 -0.06 0.01 0.00 -0.84 0.00 0.00 61.79 60.90 2cff h SER 178 Cb 0.25 0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.81 2cff h SER 178 CO 0.00 -0.09 -0.35 0.25 -1.14 0.00 0.00 176.83 175.50 2cff h LEU 179 N -0.35 -1.07 -0.84 5.07 6.46 -1.93 -1.52 115.31 121.13 2cff h LEU 179 Ca -0.03 0.12 0.20 0.00 -0.12 0.00 0.00 57.88 58.05 2cff h LEU 179 Cb 0.27 0.41 -0.12 0.00 -0.73 0.00 0.00 40.66 40.49 2cff h LEU 179 CO 0.05 -0.34 0.30 0.74 -0.62 0.00 0.00 178.44 178.57 2cff h THR 180 N -0.44 0.47 0.11 1.05 2.02 -1.55 0.39 112.91 114.96 2cff h THR 180 Ca 0.01 -0.12 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 2cff h THR 180 Cb 0.47 0.10 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 2cff h THR 180 CO -0.23 0.06 -0.05 0.50 0.37 0.00 0.00 175.52 176.17 2cff h LYS 181 N 0.34 -0.15 -0.50 6.66 3.64 -0.99 0.20 116.57 125.78 2cff h LYS 181 Ca 0.51 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.99 2cff h LYS 181 Cb 0.95 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 2cff h LYS 181 CO -0.54 -0.05 0.09 -0.22 -2.27 0.00 0.00 179.45 176.46 2cff h LYS 182 N -0.21 0.21 0.72 1.90 3.64 0.06 0.14 116.57 123.03 2cff h LYS 182 Ca -0.02 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 2cff h LYS 182 Cb 0.17 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 31.94 2cff h LYS 182 CO 0.03 0.14 -0.42 0.82 -2.27 0.00 0.00 179.45 177.75 2cff h ILE 183 N 0.22 0.16 -0.05 2.00 2.04 -0.09 0.22 117.51 122.00 2cff h ILE 183 Ca 0.25 0.00 0.04 0.00 1.00 0.00 0.00 64.86 66.15 2cff h ILE 183 Cb 0.35 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.52 2cff h ILE 183 CO -0.34 0.00 -0.35 0.00 0.00 0.00 0.00 178.15 177.46 2cff h ALA 184 N -0.85 -0.49 -0.19 1.87 0.00 -0.27 -1.67 119.26 117.67 2cff h ALA 184 Ca -0.09 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.81 2cff h ALA 184 Cb 0.84 0.63 -0.01 0.00 0.00 0.00 0.00 17.79 19.26 2cff h ALA 184 CO 0.11 -0.85 0.12 0.82 0.00 0.00 0.00 179.25 179.45 2cff h ILE 185 N -0.47 1.06 0.11 0.00 2.04 -0.64 -0.82 117.51 118.80 2cff h ILE 185 Ca 0.07 -0.14 -0.26 0.00 1.00 0.00 0.00 64.86 65.53 2cff h ILE 185 Cb 0.58 0.82 -0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2cff h ILE 185 CO -0.32 0.06 -1.21 -0.33 0.00 0.00 0.00 178.15 176.36 2cff h GLU 186 N 0.24 0.22 0.00 2.37 5.08 -0.49 -3.25 114.58 118.75 2cff h GLU 186 Ca 0.07 -0.38 0.00 0.00 -1.00 0.00 0.00 59.36 58.05 2cff h GLU 186 Cb -0.00 0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2cff h GLU 186 CO -0.01 1.18 -0.47 0.00 -1.00 0.00 0.00 179.01 178.70 2cff n ALA 187 N -2.50 2.83 -3.88 3.43 0.00 -0.63 -4.96 120.51 114.79 2cff n ALA 187 Ca -0.07 -0.21 -0.25 0.00 0.00 0.00 0.00 53.44 52.91 2cff n ALA 187 Cb 1.01 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 19.23 2cff n ALA 187 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2cff n GLU 188 N -2.07 -4.20 -4.45 0.00 2.13 -0.32 -4.80 120.64 106.92 2cff n GLU 188 Ca 0.04 0.51 -0.30 0.00 0.66 0.00 0.00 57.16 58.07 2cff n GLU 188 Cb 0.43 -4.95 -0.12 0.00 0.27 0.00 0.00 31.44 27.06 2cff n GLU 188 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2cff s VAL 189 N -3.70 2.83 0.19 6.31 -7.23 -1.16 -5.03 120.40 112.60 2cff s VAL 189 Ca 0.16 -1.36 -0.30 0.00 -1.81 0.00 0.00 61.98 58.67 2cff s VAL 189 Cb -0.08 -2.25 -0.08 0.00 0.56 0.00 0.00 36.38 34.53 2cff s VAL 189 CO 0.86 0.20 1.13 -0.54 -0.31 0.00 0.00 175.10 176.44 2cff s LYS 190 N -1.84 4.56 -0.06 4.82 1.02 -0.73 -4.60 119.74 122.91 2cff s LYS 190 Ca 0.17 1.77 0.03 0.00 0.02 0.00 0.00 55.97 57.95 2cff s LYS 190 Cb -0.11 -3.26 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 2cff s LYS 190 CO 0.08 0.03 -0.13 0.08 -0.92 0.00 0.00 175.35 174.49 2cff s VAL 191 N -0.24 1.15 -0.20 3.17 1.01 0.06 0.19 120.40 125.53 2cff s VAL 191 Ca 0.50 -0.50 -0.07 0.00 0.00 0.00 0.00 61.98 61.91 2cff s VAL 191 Cb -0.31 -1.04 -0.04 0.00 0.00 0.00 0.00 36.38 35.00 2cff s VAL 191 CO 0.36 0.36 0.05 -0.76 0.00 0.00 0.00 175.10 175.11 2cff s LEU 192 N 0.56 3.62 -0.04 3.92 1.43 -0.72 -0.46 118.68 126.98 2cff s LEU 192 Ca -0.13 -0.04 -0.17 0.00 -1.03 0.00 0.00 54.13 52.76 2cff s LEU 192 Cb -0.15 -1.93 -0.05 0.00 0.03 0.00 0.00 46.19 44.09 2cff s LEU 192 CO 0.03 0.11 0.47 0.00 0.23 0.00 0.00 176.35 177.19 2cff s ALA 193 N 0.78 3.57 0.02 4.21 0.00 0.10 -0.85 121.76 129.60 2cff s ALA 193 Ca 0.03 -0.16 0.01 0.00 0.00 0.00 0.00 51.96 51.84 2cff s ALA 193 Cb -0.14 -2.56 -0.02 0.00 0.00 0.00 0.00 23.12 20.41 2cff s ALA 193 CO 0.02 0.24 -0.04 0.00 0.00 0.00 0.00 175.76 175.98 2cff s ALA 194 N -0.28 0.21 0.00 0.00 0.00 0.46 -0.54 121.76 121.61 2cff s ALA 194 Ca 0.26 -0.51 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2cff s ALA 194 Cb -0.16 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.05 2cff s ALA 194 CO 0.13 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.21 2cff n GLY 195 N 1.89 0.98 2.19 0.00 0.00 -1.26 -0.19 105.19 108.80 2cff n GLY 195 Ca -0.21 -1.05 -0.10 0.00 0.00 0.00 0.00 46.02 44.66 2cff n GLY 195 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2cff n GLY 196 N 2.89 -0.04 3.33 -0.02 0.00 -1.26 -3.86 105.19 106.23 2cff n GLY 196 Ca 0.00 -0.46 -0.43 0.00 0.00 0.00 0.00 46.02 45.12 2cff n GLY 196 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cff n ILE 197 N -4.01 4.09 -0.09 -0.61 2.08 -1.26 0.48 119.36 120.05 2cff n ILE 197 Ca -0.12 -4.31 -0.09 0.00 0.56 0.00 0.00 62.75 58.79 2cff n ILE 197 Cb 0.59 -2.43 -0.16 0.00 -0.75 0.00 0.00 39.64 36.89 2cff n ILE 197 CO 0.00 0.00 0.00 -0.24 0.56 0.00 0.00 176.55 176.87 2cff n SER 198 N 6.27 0.11 -0.83 4.38 2.88 -1.26 -4.59 113.62 120.58 2cff n SER 198 Ca 0.43 0.05 0.00 0.00 -1.33 0.00 0.00 58.87 58.02 2cff n SER 198 Cb 0.42 0.90 0.00 0.00 -0.75 0.00 0.00 64.21 64.79 2cff n SER 198 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2cff n SER 199 N -2.77 0.00 0.15 -3.46 3.41 -1.26 -4.77 113.62 104.92 2cff n SER 199 Ca -0.30 -0.83 0.00 0.00 -0.26 0.00 0.00 58.87 57.49 2cff n SER 199 Cb 1.12 0.00 0.20 0.00 -0.26 0.00 0.00 64.21 65.27 2cff n SER 199 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2cff h GLU 200 N 0.00 0.00 0.00 4.33 5.08 -1.96 -3.01 114.58 119.01 2cff h GLU 200 Ca 0.00 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.32 2cff h GLU 200 Cb 0.00 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.24 2cff h GLU 200 CO 0.00 0.57 -0.18 -0.97 -1.00 0.00 0.00 179.01 177.43 2cff h ASN 201 N 0.00 0.00 -0.01 1.42 -1.24 -1.99 -1.75 115.58 112.01 2cff h ASN 201 Ca -0.01 0.00 -0.12 0.00 0.71 0.00 0.00 56.30 56.89 2cff h ASN 201 Cb 1.09 0.00 0.01 0.00 0.73 0.00 0.00 38.32 40.15 2cff h ASN 201 CO 0.07 0.18 -0.45 0.28 -1.29 0.00 0.00 177.43 176.22 2cff h SER 202 N 0.00 0.42 -0.38 1.15 0.02 -1.91 -1.98 113.55 110.87 2cff h SER 202 Ca -0.00 -0.75 -0.11 0.00 -0.84 0.00 0.00 61.79 60.09 2cff h SER 202 Cb 0.43 -0.13 -0.02 0.00 0.14 0.00 0.00 62.40 62.83 2cff h SER 202 CO 0.02 1.11 -0.14 -0.07 -1.14 0.00 0.00 176.83 176.61 2cff h LEU 203 N -0.24 0.84 -0.13 5.07 3.38 -1.54 0.35 115.31 123.05 2cff h LEU 203 Ca -0.05 -0.27 0.03 0.00 0.09 0.00 0.00 57.88 57.67 2cff h LEU 203 Cb 1.17 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 2cff h LEU 203 CO 0.09 0.99 -0.04 0.11 0.09 0.00 0.00 178.44 179.68 2cff h LYS 204 N 0.75 -0.01 -0.43 1.13 1.57 -1.38 0.96 116.57 119.16 2cff h LYS 204 Ca 0.12 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.89 2cff h LYS 204 Cb 0.66 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.95 2cff h LYS 204 CO 0.05 -0.01 0.24 1.15 -0.57 0.00 0.00 179.45 180.31 2cff h THR 205 N -0.01 1.15 -0.35 -0.16 2.02 -1.13 -2.45 112.91 111.98 2cff h THR 205 Ca 0.06 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2cff h THR 205 Cb 0.11 0.63 -0.02 0.00 -1.74 0.00 0.00 68.15 67.13 2cff h THR 205 CO -0.14 0.16 0.23 0.00 0.37 0.00 0.00 175.52 176.14 2cff h ALA 206 N 1.09 0.45 -0.99 6.16 0.00 -0.61 -0.68 119.26 124.68 2cff h ALA 206 Ca 0.15 -0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.08 2cff h ALA 206 Cb 0.05 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 17.63 2cff h ALA 206 CO -0.02 -0.08 0.64 0.37 0.00 0.00 0.00 179.25 180.16 2cff h GLN 207 N 0.47 1.16 -0.05 0.00 5.75 -0.75 0.57 115.11 122.27 2cff h GLN 207 Ca 0.13 -0.07 -0.10 0.00 -0.15 0.00 0.00 58.65 58.45 2cff h GLN 207 Cb -0.03 -0.26 -0.01 0.00 1.07 0.00 0.00 27.48 28.24 2cff h GLN 207 CO -0.03 0.77 -0.46 -0.22 -2.65 0.00 0.00 178.83 176.25 2cff h LYS 208 N 1.20 0.11 0.00 1.69 3.64 -0.78 -1.99 116.57 120.44 2cff h LYS 208 Ca 0.41 -0.06 -0.26 0.00 -1.27 0.00 0.00 60.65 59.47 2cff h LYS 208 Cb 0.09 0.00 -0.04 0.00 -0.41 0.00 0.00 32.23 31.87 2cff h LYS 208 CO -0.15 0.55 -1.47 0.28 -2.27 0.00 0.00 179.45 176.38 2cff h VAL 209 N 0.09 1.12 -0.98 2.00 2.07 -0.69 -1.12 116.25 118.74 2cff h VAL 209 Ca 0.00 -2.92 0.12 0.00 0.82 0.00 0.00 66.70 64.72 2cff h VAL 209 Cb 0.84 2.55 -0.08 0.00 -1.52 0.00 0.00 31.29 33.08 2cff h VAL 209 CO 0.06 0.64 0.62 -0.74 0.02 0.00 0.00 177.57 178.17 2cff h HIS 210 N 0.00 1.09 0.03 1.57 -0.00 0.32 -1.40 115.15 116.75 2cff h HIS 210 Ca -0.19 0.03 -0.00 0.00 -0.00 0.00 0.00 60.37 60.20 2cff h HIS 210 Cb 1.93 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 28.99 2cff h HIS 210 CO 0.00 0.45 -0.01 1.15 -0.00 0.00 0.00 177.93 179.51 2cff h THR 211 N 0.96 1.41 -0.08 6.26 2.02 -1.32 0.23 112.91 122.39 2cff h THR 211 Ca 0.48 -1.49 0.02 0.00 0.77 0.00 0.00 66.41 66.19 2cff h THR 211 Cb 0.48 2.39 -0.00 0.00 -1.74 0.00 0.00 68.15 69.28 2cff h THR 211 CO -0.24 0.37 0.17 -0.33 0.37 0.00 0.00 175.52 175.87 2cff h GLU 212 N -0.70 0.00 -0.35 6.66 5.08 -0.81 -1.63 114.58 122.84 2cff h GLU 212 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2cff h GLU 212 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2cff h GLU 212 CO 0.01 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 178.27 2cff n THR 213 N -3.38 1.54 -2.68 1.13 -2.24 -0.56 -4.97 114.28 103.12 2cff n THR 213 Ca -0.01 -1.33 -0.15 0.00 -2.27 0.00 0.00 64.05 60.29 2cff n THR 213 Cb 0.26 0.19 -0.00 0.00 -2.10 0.00 0.00 70.33 68.68 2cff n THR 213 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2cff n ASN 214 N 0.21 -3.95 0.00 3.42 5.03 -0.61 -1.78 115.26 117.58 2cff n ASN 214 Ca 0.16 0.04 0.00 0.00 0.87 0.00 0.00 54.58 55.66 2cff n ASN 214 Cb 0.64 -3.33 0.00 0.00 -1.02 0.00 0.00 39.78 36.07 2cff n ASN 214 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2cff n GLY 215 N -0.92 0.71 0.33 7.41 0.00 0.82 -4.92 105.19 108.62 2cff n GLY 215 Ca -0.11 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.06 2cff n GLY 215 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2cff h LEU 216 N 0.00 0.00 -8.48 0.99 3.38 -1.56 -3.09 115.31 106.55 2cff h LEU 216 Ca 0.00 0.00 -0.59 0.00 0.09 0.00 0.00 57.88 57.38 2cff h LEU 216 Cb 0.00 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2cff h LEU 216 CO 0.00 0.00 0.73 -0.22 0.09 0.00 0.00 178.44 179.04 2cff s LEU 217 N -8.41 3.85 0.17 1.67 2.96 -1.26 -0.76 118.68 116.90 2cff s LEU 217 Ca -0.05 -0.30 -0.13 0.00 -0.22 0.00 0.00 54.13 53.43 2cff s LEU 217 Cb 0.17 -2.85 0.07 0.00 0.50 0.00 0.00 46.19 44.08 2cff s LEU 217 CO 0.64 -1.39 1.76 0.11 -1.32 0.00 0.00 176.35 176.16 2cff h LYS 218 N 9.48 0.82 0.00 1.98 1.57 -0.68 -3.42 116.57 126.32 2cff h LYS 218 Ca -0.26 -0.12 0.00 0.00 -1.87 0.00 0.00 60.65 58.40 2cff h LYS 218 Cb 1.07 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 33.23 2cff h LYS 218 CO 1.15 0.66 0.00 0.41 -0.57 0.00 0.00 179.45 181.10 2cff n GLY 219 N -0.94 -0.99 3.43 3.86 0.00 -1.20 0.22 105.19 109.57 2cff n GLY 219 Ca 0.03 -1.04 -0.27 0.00 0.00 0.00 0.00 46.02 44.74 2cff n GLY 219 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2cff s VAL 220 N -3.00 2.39 -0.26 1.61 -7.23 -0.86 0.03 120.40 113.08 2cff s VAL 220 Ca 0.00 -1.96 -0.09 0.00 -1.81 0.00 0.00 61.98 58.13 2cff s VAL 220 Cb 0.00 -2.14 -0.03 0.00 0.56 0.00 0.00 36.38 34.77 2cff s VAL 220 CO 0.00 -0.08 0.11 -0.63 -0.31 0.00 0.00 175.10 174.19 2cff s ILE 221 N -1.56 4.61 -0.30 -0.62 1.01 0.29 -0.28 121.20 124.36 2cff s ILE 221 Ca 0.20 -0.11 -0.10 0.00 0.00 0.00 0.00 60.65 60.64 2cff s ILE 221 Cb -0.08 -3.19 -0.02 0.00 0.01 0.00 0.00 42.46 39.17 2cff s ILE 221 CO 0.09 0.28 0.15 -0.69 0.00 0.00 0.00 174.94 174.78 2cff s VAL 222 N 1.65 4.72 0.00 2.92 1.01 -0.44 -4.52 120.40 125.74 2cff s VAL 222 Ca 0.06 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.77 2cff s VAL 222 Cb -0.16 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2cff s VAL 222 CO 0.06 0.13 0.00 0.61 0.00 0.00 0.00 175.10 175.90 2cff n GLY 223 N 5.00 0.09 0.21 4.51 0.00 -1.26 -0.03 105.19 113.70 2cff n GLY 223 Ca -0.14 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2cff n GLY 223 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 2cff h ARG 224 N 0.00 -0.17 0.00 1.61 2.43 -1.91 -2.37 114.38 113.97 2cff h ARG 224 Ca 0.00 0.01 -0.02 0.00 -0.81 0.00 0.00 59.98 59.16 2cff h ARG 224 Cb 0.00 0.04 -0.00 0.00 -0.42 0.00 0.00 29.97 29.59 2cff h ARG 224 CO 0.00 -0.12 -0.11 0.00 -1.51 0.00 0.00 179.97 178.24 2cff h ALA 225 N -0.69 1.36 0.31 2.80 0.00 -1.89 -2.76 119.26 118.39 2cff h ALA 225 Ca 0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 2cff h ALA 225 Cb 0.28 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.05 2cff h ALA 225 CO -0.29 0.13 -0.15 0.35 0.00 0.00 0.00 179.25 179.29 2cff h PHE 226 N 0.00 -0.39 0.00 0.00 3.57 -1.67 -1.87 116.94 116.59 2cff h PHE 226 Ca -0.00 -0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.44 2cff h PHE 226 Cb 0.28 0.13 -0.01 0.00 2.79 0.00 0.00 35.95 39.14 2cff h PHE 226 CO 0.00 -0.05 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.74 2cff h LEU 227 N -0.92 0.00 0.00 0.59 3.38 -1.24 -3.01 115.31 114.10 2cff h LEU 227 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2cff h LEU 227 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2cff h LEU 227 CO 0.07 0.22 -1.01 -0.62 0.09 0.00 0.00 178.44 177.19 2cff n GLU 228 N -4.01 0.17 -0.09 1.13 1.02 -1.06 -4.99 120.64 112.82 2cff n GLU 228 Ca -0.02 -0.02 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2cff n GLU 228 Cb 0.29 -1.54 0.00 0.00 -0.02 0.00 0.00 31.44 30.17 2cff n GLU 228 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2cff n GLY 229 N 1.42 0.58 0.49 0.62 0.00 -1.07 -4.98 105.19 102.26 2cff n GLY 229 Ca 0.03 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.86 2cff n GLY 229 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2cff h ILE 230 N 0.00 0.05 -3.71 -0.61 2.04 -1.65 -3.35 117.51 110.28 2cff h ILE 230 Ca 0.00 0.00 -0.66 0.00 1.00 0.00 0.00 64.86 65.20 2cff h ILE 230 Cb 0.00 0.05 -0.17 0.00 -0.74 0.00 0.00 36.82 35.95 2cff h ILE 230 CO 0.00 0.00 -0.37 -0.76 0.00 0.00 0.00 178.15 177.02 2cff s LEU 231 N -10.11 4.38 0.67 1.44 1.43 -0.83 -5.02 118.68 110.63 2cff s LEU 231 Ca -0.18 -0.21 -0.05 0.00 -1.03 0.00 0.00 54.13 52.66 2cff s LEU 231 Cb 0.04 -2.26 0.06 0.00 0.03 0.00 0.00 46.19 44.06 2cff s LEU 231 CO 0.61 -0.26 0.96 0.42 0.23 0.00 0.00 176.35 178.31 2cff s THR 232 N 1.90 2.36 0.29 5.49 -4.23 -1.26 -4.22 115.64 115.98 2cff s THR 232 Ca 0.10 -0.36 -0.02 0.00 -1.18 0.00 0.00 61.69 60.23 2cff s THR 232 Cb -0.17 -3.00 0.20 0.00 1.34 0.00 0.00 72.50 70.88 2cff s THR 232 CO 0.11 0.00 1.89 -0.37 -0.54 0.00 0.00 174.62 175.71 2cff h VAL 233 N -0.45 1.21 0.16 2.29 -1.51 -1.96 -1.13 116.25 114.88 2cff h VAL 233 Ca -0.44 -0.61 0.01 0.00 -1.23 0.00 0.00 66.70 64.43 2cff h VAL 233 Cb 1.31 0.37 -0.02 0.00 -2.13 0.00 0.00 31.29 30.82 2cff h VAL 233 CO 0.58 0.25 -0.19 -0.08 -1.23 0.00 0.00 177.57 176.91 2cff h GLU 234 N 0.94 -0.38 -0.45 5.19 4.81 -1.99 -2.05 114.58 120.65 2cff h GLU 234 Ca 0.23 0.03 -0.10 0.00 -0.13 0.00 0.00 59.36 59.39 2cff h GLU 234 Cb 0.10 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.55 2cff h GLU 234 CO -0.03 -0.25 -0.13 0.28 -0.73 0.00 0.00 179.01 178.15 2cff h VAL 235 N -0.39 1.26 0.42 0.32 2.07 -1.87 -2.82 116.25 115.24 2cff h VAL 235 Ca 0.01 -1.21 -0.02 0.00 0.82 0.00 0.00 66.70 66.29 2cff h VAL 235 Cb 0.38 1.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.21 2cff h VAL 235 CO -0.06 0.42 -0.20 0.24 0.02 0.00 0.00 177.57 177.98 2cff h MET 236 N 0.74 -0.55 -0.03 1.57 2.86 -1.16 -3.14 114.93 115.22 2cff h MET 236 Ca 0.12 0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.81 2cff h MET 236 Cb 0.63 0.12 -0.00 0.00 0.06 0.00 0.00 31.60 32.41 2cff h MET 236 CO 0.04 -0.33 0.04 0.87 1.06 0.00 0.00 176.91 178.59 2cff h LYS 237 N -0.63 0.00 0.00 1.72 1.57 -1.37 -1.17 116.57 116.70 2cff h LYS 237 Ca -0.06 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 2cff h LYS 237 Cb 0.47 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.77 2cff h LYS 237 CO 0.10 0.00 -0.14 -0.09 -0.57 0.00 0.00 179.45 178.74 2cff h ARG 238 N 0.00 0.00 -0.34 3.15 2.43 -1.44 -3.00 114.38 115.18 2cff h ARG 238 Ca 0.02 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2cff h ARG 238 Cb 0.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.65 2cff h ARG 238 CO -0.00 0.14 0.00 0.66 -1.51 0.00 0.00 179.97 179.26 2cff n TYR 239 N -4.02 0.44 -1.91 2.20 4.02 -0.45 -4.28 117.16 113.17 2cff n TYR 239 Ca -0.02 -0.28 -0.37 0.00 -0.01 0.00 0.00 57.90 57.22 2cff n TYR 239 Cb 0.23 -0.01 0.04 0.00 -0.02 0.00 0.00 39.34 39.58 2cff n TYR 239 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cff n ALA 240 N 1.16 6.22 -0.40 -0.72 0.00 -1.13 -4.65 120.51 120.98 2cff n ALA 240 Ca 0.16 -4.03 0.00 0.00 0.00 0.00 0.00 53.44 49.57 2cff n ALA 240 Cb 0.52 -1.67 0.00 0.00 0.00 0.00 0.00 19.45 18.29 2cff n ALA 240 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04