#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 4.35 -0.26 -0.89 1.02 -0.32 -4.47 118.68 118.11 2cff s LEU 2 Ca 0.00 0.50 0.00 0.00 0.02 0.00 0.00 54.13 54.65 2cff s LEU 2 Cb 0.00 -2.18 0.05 0.00 0.02 0.00 0.00 46.19 44.08 2cff s LEU 2 CO 0.00 0.32 -0.08 -0.69 0.02 0.00 0.00 176.35 175.93 2cff s VAL 3 N -0.62 2.54 -0.29 -1.59 1.01 -1.26 -0.77 120.40 119.42 2cff s VAL 3 Ca 0.15 -1.37 -0.03 0.00 0.00 0.00 0.00 61.98 60.73 2cff s VAL 3 Cb -0.13 -2.40 0.03 0.00 0.00 0.00 0.00 36.38 33.89 2cff s VAL 3 CO 0.04 0.05 0.01 -0.69 0.00 0.00 0.00 175.10 174.52 2cff s VAL 4 N 1.21 3.27 0.58 2.92 1.01 -0.24 -4.94 120.40 124.21 2cff s VAL 4 Ca -0.05 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 60.66 2cff s VAL 4 Cb -0.19 -2.76 -0.04 0.00 0.00 0.00 0.00 36.38 33.39 2cff s VAL 4 CO -0.05 0.02 1.19 -2.84 0.00 0.00 0.00 175.10 173.43 2cff s PRO 5 N 1.35 3.09 -0.06 2.72 0.02 -1.26 -0.60 135.00 140.26 2cff s PRO 5 Ca -0.01 1.79 0.03 0.00 0.02 0.00 0.00 61.00 62.82 2cff s PRO 5 Cb -0.18 -1.97 0.01 0.00 0.02 0.00 0.00 34.50 32.37 2cff s PRO 5 CO -0.01 -1.10 -0.13 0.00 -0.33 0.00 0.00 177.00 175.43 2cff s ALA 6 N -1.62 1.31 -0.21 -1.55 0.00 -0.14 -1.04 121.76 118.52 2cff s ALA 6 Ca 0.76 -0.46 0.00 0.00 0.00 0.00 0.00 51.96 52.26 2cff s ALA 6 Cb -0.29 -0.56 0.05 0.00 0.00 0.00 0.00 23.12 22.32 2cff s ALA 6 CO 0.32 0.14 -0.06 0.42 0.00 0.00 0.00 175.76 176.58 2cff s ILE 7 N 0.55 1.38 -0.11 0.00 1.01 0.72 -4.56 121.20 120.20 2cff s ILE 7 Ca -0.13 -0.98 -0.13 0.00 0.00 0.00 0.00 60.65 59.41 2cff s ILE 7 Cb -0.15 -1.60 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2cff s ILE 7 CO 0.04 0.02 0.30 -1.81 0.00 0.00 0.00 174.94 173.48 2cff s ASP 8 N 1.49 6.53 -0.16 3.58 1.11 -1.26 -1.01 116.67 126.94 2cff s ASP 8 Ca -0.03 0.63 -0.02 0.00 0.18 0.00 0.00 52.55 53.31 2cff s ASP 8 Cb -0.17 -2.18 -0.01 0.00 1.07 0.00 0.00 42.92 41.62 2cff s ASP 8 CO -0.07 0.21 -0.10 -0.76 1.18 0.00 0.00 175.17 175.63 2cff s LEU 9 N -0.19 2.79 -0.04 1.23 1.43 0.26 -1.01 118.68 123.14 2cff s LEU 9 Ca 0.18 -0.35 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2cff s LEU 9 Cb -0.14 -1.66 0.02 0.00 0.03 0.00 0.00 46.19 44.45 2cff s LEU 9 CO 0.06 0.10 -0.02 0.12 0.23 0.00 0.00 176.35 176.84 2cff s PHE 10 N 0.76 0.54 -1.39 0.29 5.36 -0.17 0.17 117.98 123.54 2cff s PHE 10 Ca -0.04 -0.11 -0.10 0.00 -0.96 0.00 0.00 56.93 55.73 2cff s PHE 10 Cb -0.15 -0.58 0.02 0.00 -0.34 0.00 0.00 43.02 41.98 2cff s PHE 10 CO 0.01 -0.19 1.14 0.54 -1.46 0.00 0.00 175.22 175.27 2cff n ARG 11 N 4.27 -7.49 -0.95 10.12 1.74 -1.26 -1.34 116.66 121.75 2cff n ARG 11 Ca -0.22 0.78 0.00 0.00 -0.77 0.00 0.00 57.85 57.64 2cff n ARG 11 Cb 0.50 -5.81 0.00 0.00 -1.02 0.00 0.00 32.46 26.14 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 -1.94 0.23 3.26 -0.13 0.00 -1.26 -4.98 105.19 100.37 2cff n GLY 12 Ca 0.01 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.11 1.15 -0.08 1.61 1.02 -0.45 -4.96 119.74 116.91 2cff s LYS 13 Ca 0.00 -1.06 -0.29 0.00 0.02 0.00 0.00 55.97 54.63 2cff s LYS 13 Cb 0.00 -1.34 -0.06 0.00 -0.52 0.00 0.00 37.83 35.91 2cff s LYS 13 CO 0.00 0.32 1.85 0.08 -0.92 0.00 0.00 175.35 176.68 2cff s VAL 14 N -1.06 3.31 0.36 3.17 1.01 -1.26 -1.00 120.40 124.93 2cff s VAL 14 Ca 0.06 0.37 0.04 0.00 0.00 0.00 0.00 61.98 62.44 2cff s VAL 14 Cb -0.10 -3.28 -0.03 0.00 0.00 0.00 0.00 36.38 32.98 2cff s VAL 14 CO 0.03 -0.08 0.16 0.00 0.00 0.00 0.00 175.10 175.21 2cff s ALA 15 N 5.09 2.44 -0.11 5.51 0.00 -0.18 0.13 121.76 134.63 2cff s ALA 15 Ca 0.83 -1.56 -0.17 0.00 0.00 0.00 0.00 51.96 51.05 2cff s ALA 15 Cb -0.35 0.99 0.04 0.00 0.00 0.00 0.00 23.12 23.80 2cff s ALA 15 CO 0.35 -0.44 0.44 0.50 0.00 0.00 0.00 175.76 176.61 2cff s ARG 16 N -3.71 0.63 -0.05 0.00 3.52 0.11 -4.30 118.95 115.15 2cff s ARG 16 Ca 0.31 0.36 0.04 0.00 -0.13 0.00 0.00 55.73 56.31 2cff s ARG 16 Cb 0.03 0.30 -0.00 0.00 -1.56 0.00 0.00 34.95 33.72 2cff s ARG 16 CO 0.18 -0.13 -0.19 -1.64 -0.81 0.00 0.00 175.30 172.71 2cff s MET 17 N -0.36 2.04 -0.30 5.12 -1.94 -1.26 0.09 119.30 122.69 2cff s MET 17 Ca -0.05 -0.67 -0.27 0.00 -1.71 0.00 0.00 55.69 52.98 2cff s MET 17 Cb -0.03 -1.73 0.01 0.00 2.01 0.00 0.00 34.83 35.09 2cff s MET 17 CO 0.03 0.25 0.97 0.42 -0.01 0.00 0.00 175.02 176.68 2cff s ILE 18 N 0.08 4.63 -1.81 2.53 1.01 -1.12 -3.16 121.20 123.36 2cff s ILE 18 Ca -0.06 1.60 0.00 0.00 0.00 0.00 0.00 60.65 62.19 2cff s ILE 18 Cb -0.13 -4.31 0.00 0.00 0.01 0.00 0.00 42.46 38.03 2cff s ILE 18 CO 0.03 -0.35 0.00 0.29 0.00 0.00 0.00 174.94 174.91 2cff n LYS 19 N 6.56 -1.39 -2.50 2.79 5.02 -0.01 -2.92 118.16 125.70 2cff n LYS 19 Ca 0.09 1.05 -0.10 0.00 -2.02 0.00 0.00 58.31 57.33 2cff n LYS 19 Cb 0.47 -5.45 0.01 0.00 -0.02 0.00 0.00 35.03 30.04 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 -0.83 0.12 3.34 0.72 0.00 -1.19 -4.77 105.19 102.59 2cff n GLY 20 Ca -0.20 -0.41 -0.34 0.00 0.00 0.00 0.00 46.02 45.06 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 -4.92 3.40 0.50 1.61 1.81 -1.15 -5.01 118.95 115.20 2cff s ARG 21 Ca 0.11 -0.63 0.16 0.00 -1.72 0.00 0.00 55.73 53.64 2cff s ARG 21 Cb -0.05 -2.91 1.20 0.00 -0.45 0.00 0.00 34.95 32.75 2cff s ARG 21 CO 0.13 -0.06 2.10 1.57 -0.68 0.00 0.00 175.30 178.36 2cff h LYS 22 N 7.64 0.12 0.00 3.54 2.10 -1.96 -3.17 116.57 124.84 2cff h LYS 22 Ca -0.37 -0.01 -0.09 0.00 -2.00 0.00 0.00 60.65 58.19 2cff h LYS 22 Cb 1.17 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 32.47 2cff h LYS 22 CO 0.60 0.08 -0.41 0.93 -2.00 0.00 0.00 179.45 178.64 2cff h GLU 23 N 0.12 0.00 -2.73 0.07 3.07 -1.96 -2.99 114.58 110.17 2cff h GLU 23 Ca 0.08 0.00 -0.74 0.00 -0.50 0.00 0.00 59.36 58.20 2cff h GLU 23 Cb 0.17 0.00 -0.33 0.00 -0.84 0.00 0.00 28.75 27.75 2cff h GLU 23 CO -0.01 0.41 0.29 0.27 -1.40 0.00 0.00 179.01 178.57 2cff n ASN 24 N -3.33 5.45 -4.74 1.42 0.23 -1.20 -5.03 115.26 108.07 2cff n ASN 24 Ca 0.01 -3.40 -0.35 0.00 -0.53 0.00 0.00 54.58 50.31 2cff n ASN 24 Cb 0.62 -1.07 -0.08 0.00 -2.08 0.00 0.00 39.78 37.17 2cff n ASN 24 CO 0.00 0.00 0.00 -0.89 -0.93 0.00 0.00 177.26 175.44 2cff s THR 25 N -2.59 5.39 0.16 5.53 2.01 -1.13 -2.79 115.64 122.23 2cff s THR 25 Ca 0.34 0.27 0.07 0.00 0.31 0.00 0.00 61.69 62.68 2cff s THR 25 Cb 0.07 -3.50 -0.04 0.00 0.01 0.00 0.00 72.50 69.04 2cff s THR 25 CO 0.05 0.44 -0.02 0.27 -0.69 0.00 0.00 174.62 174.67 2cff s ILE 26 N 0.29 3.65 0.13 1.82 -4.36 0.11 -4.94 121.20 117.91 2cff s ILE 26 Ca 0.10 -1.40 0.10 0.00 -0.26 0.00 0.00 60.65 59.18 2cff s ILE 26 Cb -0.11 -2.82 -0.04 0.00 1.25 0.00 0.00 42.46 40.74 2cff s ILE 26 CO -0.00 -0.08 -0.23 -0.36 0.24 0.00 0.00 174.94 174.51 2cff s PHE 27 N -1.65 2.02 0.13 1.37 0.08 -1.26 0.09 117.98 118.76 2cff s PHE 27 Ca 0.27 -0.41 0.06 0.00 0.12 0.00 0.00 56.93 56.97 2cff s PHE 27 Cb -0.10 -1.07 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 2cff s PHE 27 CO 0.18 0.30 0.03 0.71 -0.10 0.00 0.00 175.22 176.33 2cff s TYR 28 N -1.32 2.97 -0.95 0.36 1.51 0.34 -4.95 117.35 115.31 2cff s TYR 28 Ca 0.12 -0.06 -0.05 0.00 -1.01 0.00 0.00 57.07 56.07 2cff s TYR 28 Cb -0.09 -1.48 0.10 0.00 -0.11 0.00 0.00 41.96 40.38 2cff s TYR 28 CO 0.06 0.50 2.55 -1.91 -1.11 0.00 0.00 175.55 175.64 2cff n GLU 29 N 0.15 3.68 -3.67 -0.62 2.13 -1.26 -4.53 120.64 116.51 2cff n GLU 29 Ca -0.10 -3.00 -0.15 0.00 0.66 0.00 0.00 57.16 54.57 2cff n GLU 29 Cb 0.54 -2.42 -0.15 0.00 0.27 0.00 0.00 31.44 29.68 2cff n GLU 29 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2cff s LYS 30 N -1.42 0.08 0.14 5.31 3.01 -1.26 -5.12 119.74 120.47 2cff s LYS 30 Ca 0.56 0.64 -0.31 0.00 -1.01 0.00 0.00 55.97 55.85 2cff s LYS 30 Cb 0.27 -0.18 -0.10 0.00 -1.01 0.00 0.00 37.83 36.81 2cff s LYS 30 CO -0.15 -0.30 1.72 0.34 0.51 0.00 0.00 175.35 177.47 2cff s ASP 31 N 2.34 6.48 0.14 2.83 -1.08 -1.26 -4.50 116.67 121.61 2cff s ASP 31 Ca 0.02 2.69 -0.18 0.00 -0.52 0.00 0.00 52.55 54.56 2cff s ASP 31 Cb -0.12 -2.58 -0.02 0.00 -1.46 0.00 0.00 42.92 38.74 2cff s ASP 31 CO -0.07 -0.94 1.77 -0.65 0.52 0.00 0.00 175.17 175.81 2cff h PRO 32 N 7.84 0.30 -0.51 4.34 0.11 -1.98 -1.66 132.00 140.44 2cff h PRO 32 Ca -0.44 -0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.69 2cff h PRO 32 Cb 1.21 -0.07 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2cff h PRO 32 CO 0.94 0.20 0.27 0.28 -0.21 0.00 0.00 178.00 179.48 2cff h VAL 33 N 0.31 0.98 -0.21 3.15 2.07 -1.93 -1.96 116.25 118.65 2cff h VAL 33 Ca 0.11 -0.18 -0.02 0.00 0.82 0.00 0.00 66.70 67.43 2cff h VAL 33 Cb 0.01 0.41 -0.01 0.00 -1.52 0.00 0.00 31.29 30.18 2cff h VAL 33 CO -0.06 0.10 0.04 -0.08 0.02 0.00 0.00 177.57 177.59 2cff h GLU 34 N 0.52 0.34 0.02 1.57 4.81 -1.92 -1.41 114.58 118.51 2cff h GLU 34 Ca 0.22 -0.09 0.02 0.00 -0.13 0.00 0.00 59.36 59.39 2cff h GLU 34 Cb 0.11 -0.04 -0.05 0.00 0.63 0.00 0.00 28.75 29.39 2cff h GLU 34 CO -0.14 0.47 -0.51 1.25 -0.73 0.00 0.00 179.01 179.36 2cff h LEU 35 N 0.15 -1.55 -0.32 1.64 5.85 -1.20 0.34 115.31 120.22 2cff h LEU 35 Ca 0.07 0.18 0.05 0.00 0.84 0.00 0.00 57.88 59.01 2cff h LEU 35 Cb 0.29 0.59 -0.05 0.00 0.37 0.00 0.00 40.66 41.86 2cff h LEU 35 CO 0.00 -0.51 0.01 0.58 -0.34 0.00 0.00 178.44 178.17 2cff h VAL 36 N -0.66 0.78 -0.56 1.05 2.07 -1.29 -0.90 116.25 116.74 2cff h VAL 36 Ca 0.02 -0.03 0.00 0.00 0.82 0.00 0.00 66.70 67.51 2cff h VAL 36 Cb 0.71 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 2cff h VAL 36 CO -0.34 0.02 0.36 -0.08 0.02 0.00 0.00 177.57 177.54 2cff h GLU 37 N 0.10 0.74 -0.83 1.57 4.81 -1.08 0.23 114.58 120.12 2cff h GLU 37 Ca 0.15 -0.05 0.08 0.00 -0.13 0.00 0.00 59.36 59.41 2cff h GLU 37 Cb 0.20 -0.16 -0.07 0.00 0.63 0.00 0.00 28.75 29.35 2cff h GLU 37 CO -0.25 0.51 0.49 -0.22 -0.73 0.00 0.00 179.01 178.81 2cff h LYS 38 N 0.75 0.83 -0.05 1.92 1.63 -0.60 0.64 116.57 121.69 2cff h LYS 38 Ca 0.20 -0.05 -0.13 0.00 -0.85 0.00 0.00 60.65 59.82 2cff h LYS 38 Cb -0.06 -0.19 -0.01 0.00 -0.60 0.00 0.00 32.23 31.37 2cff h LYS 38 CO -0.04 0.55 -0.56 -0.07 -3.45 0.00 0.00 179.45 175.88 2cff h LEU 39 N 0.86 0.17 -0.63 5.20 3.38 -0.06 -1.26 115.31 122.97 2cff h LEU 39 Ca 0.38 -0.09 -0.14 0.00 0.09 0.00 0.00 57.88 58.13 2cff h LEU 39 Cb 0.27 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 2cff h LEU 39 CO -0.21 0.69 -0.38 0.40 0.09 0.00 0.00 178.44 179.03 2cff h ILE 40 N 0.11 1.29 -0.17 1.22 1.08 -0.60 -2.77 117.51 117.67 2cff h ILE 40 Ca -0.00 -1.54 -0.04 0.00 -0.39 0.00 0.00 64.86 62.88 2cff h ILE 40 Cb 1.03 1.49 -0.01 0.00 -3.07 0.00 0.00 36.82 36.25 2cff h ILE 40 CO 0.08 0.49 -0.08 -0.08 -0.69 0.00 0.00 178.15 177.88 2cff h GLU 41 N 0.54 0.26 -0.41 2.37 4.81 -0.57 -2.85 114.58 118.73 2cff h GLU 41 Ca 0.05 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cff h GLU 41 Cb 0.90 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.24 2cff h GLU 41 CO 0.08 0.35 0.00 0.39 -0.73 0.00 0.00 179.01 179.10 2cff n GLU 42 N -4.32 1.95 0.00 1.92 -0.58 -0.50 -4.95 120.64 114.16 2cff n GLU 42 Ca -0.00 -1.42 0.00 0.00 -0.42 0.00 0.00 57.16 55.32 2cff n GLU 42 Cb 0.23 -1.32 0.00 0.00 -0.57 0.00 0.00 31.44 29.78 2cff n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2cff n GLY 43 N 1.10 3.33 3.64 0.62 0.00 -1.08 -5.04 105.19 107.76 2cff n GLY 43 Ca 0.13 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.70 2cff n GLY 43 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2cff n PHE 44 N -1.38 2.30 0.81 1.61 3.01 -1.07 -4.86 117.46 117.89 2cff n PHE 44 Ca 0.00 -0.18 0.13 0.00 1.01 0.00 0.00 57.45 58.41 2cff n PHE 44 Cb 0.00 -2.73 0.37 0.00 -0.01 0.00 0.00 39.48 37.10 2cff n PHE 44 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 2cff n THR 45 N 5.94 0.22 -3.98 4.37 -2.24 -1.26 -4.46 114.28 112.86 2cff n THR 45 Ca 0.24 -0.13 -0.17 0.00 -2.27 0.00 0.00 64.05 61.71 2cff n THR 45 Cb 0.37 -0.24 -0.16 0.00 -2.10 0.00 0.00 70.33 68.20 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 -3.64 1.22 -0.05 3.22 2.96 -1.26 -4.40 118.68 116.73 2cff s LEU 46 Ca 0.11 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.99 2cff s LEU 46 Cb 0.16 -0.26 0.01 0.00 0.50 0.00 0.00 46.19 46.60 2cff s LEU 46 CO 0.64 -0.09 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.85 2cff s ILE 47 N 0.97 0.93 -0.40 6.68 1.01 0.13 -4.17 121.20 126.35 2cff s ILE 47 Ca -0.10 -0.37 -0.17 0.00 0.00 0.00 0.00 60.65 60.00 2cff s ILE 47 Cb -0.14 -0.87 0.01 0.00 0.01 0.00 0.00 42.46 41.48 2cff s ILE 47 CO -0.01 0.31 0.45 -2.28 0.00 0.00 0.00 174.94 173.40 2cff s HIS 48 N 0.65 3.17 -0.16 3.97 5.65 -0.20 -0.68 115.29 127.68 2cff s HIS 48 Ca -0.12 -0.19 -0.00 0.00 0.25 0.00 0.00 55.06 55.00 2cff s HIS 48 Cb -0.14 -2.89 0.00 0.00 -1.18 0.00 0.00 32.58 28.37 2cff s HIS 48 CO 0.02 -0.63 -0.15 0.08 -0.65 0.00 0.00 174.74 173.41 2cff s VAL 49 N 2.21 2.66 -0.11 0.89 1.01 -0.72 -0.20 120.40 126.14 2cff s VAL 49 Ca 0.14 -0.77 0.02 0.00 0.00 0.00 0.00 61.98 61.38 2cff s VAL 49 Cb -0.16 -2.13 -0.01 0.00 0.00 0.00 0.00 36.38 34.08 2cff s VAL 49 CO 0.14 0.51 -0.19 -0.69 0.00 0.00 0.00 175.10 174.86 2cff s VAL 50 N 0.94 2.47 -0.76 2.92 1.01 -0.18 -1.48 120.40 125.32 2cff s VAL 50 Ca -0.03 -0.87 -0.19 0.00 0.00 0.00 0.00 61.98 60.89 2cff s VAL 50 Cb -0.15 -1.99 0.12 0.00 0.00 0.00 0.00 36.38 34.36 2cff s VAL 50 CO -0.02 0.54 0.91 -0.62 0.00 0.00 0.00 175.10 175.92 2cff s ASP 51 N 0.38 6.41 0.17 3.32 -1.08 -0.26 0.92 116.67 126.53 2cff s ASP 51 Ca -0.15 -1.72 0.09 0.00 -0.52 0.00 0.00 52.55 50.25 2cff s ASP 51 Cb -0.17 -2.35 -0.09 0.00 -1.46 0.00 0.00 42.92 38.85 2cff s ASP 51 CO 0.07 -1.09 1.35 -0.07 0.52 0.00 0.00 175.17 175.94 2cff h LEU 52 N 10.13 0.00 -0.81 -1.34 3.38 -0.59 -1.41 115.31 124.67 2cff h LEU 52 Ca -0.08 0.00 0.09 0.00 0.09 0.00 0.00 57.88 57.98 2cff h LEU 52 Cb 1.06 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.73 2cff h LEU 52 CO 1.08 0.86 0.46 0.28 0.09 0.00 0.00 178.44 181.21 2cff h SER 53 N 0.00 0.65 0.09 -0.43 0.02 -1.84 -1.87 113.55 110.17 2cff h SER 53 Ca -0.01 0.05 -0.20 0.00 -0.84 0.00 0.00 61.79 60.79 2cff h SER 53 Cb 1.62 -0.08 0.02 0.00 0.14 0.00 0.00 62.40 64.11 2cff h SER 53 CO 0.11 0.37 -0.82 -1.13 -1.14 0.00 0.00 176.83 174.23 2cff h ASN 54 N 0.77 0.57 -0.34 3.07 -1.24 -1.45 0.30 115.58 117.25 2cff h ASN 54 Ca 0.39 -0.86 0.02 0.00 0.71 0.00 0.00 56.30 56.56 2cff h ASN 54 Cb 0.36 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.21 2cff h ASN 54 CO -0.25 1.37 0.20 0.00 -1.29 0.00 0.00 177.43 177.46 2cff h ALA 55 N 0.21 0.43 0.05 1.57 0.00 -1.06 -1.95 119.26 118.50 2cff h ALA 55 Ca -0.13 -0.00 -0.36 0.00 0.00 0.00 0.00 54.91 54.42 2cff h ALA 55 Cb 1.57 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.23 2cff h ALA 55 CO 0.16 -0.16 -2.09 -0.89 0.00 0.00 0.00 179.25 176.26 2cff n ILE 56 N -4.90 1.62 0.86 0.00 -0.00 -0.72 -4.58 119.36 111.64 2cff n ILE 56 Ca -0.00 -0.49 0.09 0.00 -0.00 0.00 0.00 62.75 62.35 2cff n ILE 56 Cb 0.06 -1.72 -0.08 0.00 -0.00 0.00 0.00 39.64 37.90 2cff n ILE 56 CO 0.00 0.00 0.00 -0.62 -0.00 0.00 0.00 176.55 175.93 2cff n GLU 57 N -3.69 1.08 -3.91 0.38 1.02 -0.95 -4.96 120.64 109.61 2cff n GLU 57 Ca -0.39 -0.22 -0.28 0.00 -0.02 0.00 0.00 57.16 56.25 2cff n GLU 57 Cb 0.95 -1.37 0.01 0.00 -0.02 0.00 0.00 31.44 31.01 2cff n GLU 57 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 2cff n ASN 58 N -1.10 -2.82 -4.89 1.62 5.15 -0.73 -4.94 115.26 107.55 2cff n ASN 58 Ca 0.05 -0.86 -0.34 0.00 -0.60 0.00 0.00 54.58 52.82 2cff n ASN 58 Cb 0.31 -3.63 -0.05 0.00 -0.53 0.00 0.00 39.78 35.88 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 -3.78 6.42 -0.04 1.20 0.15 0.99 -4.89 113.70 113.76 2cff s SER 59 Ca 0.38 0.45 0.13 0.00 0.70 0.00 0.00 55.95 57.60 2cff s SER 59 Cb -0.19 -2.04 0.44 0.00 -1.71 0.00 0.00 66.02 62.52 2cff s SER 59 CO 0.85 0.27 1.33 0.61 1.20 0.00 0.00 173.24 177.50 2cff n GLY 60 N 1.10 1.54 0.34 9.45 0.00 -1.26 -2.52 105.19 113.83 2cff n GLY 60 Ca -0.12 -0.53 0.17 0.00 0.00 0.00 0.00 46.02 45.54 2cff n GLY 60 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2cff h GLU 61 N 2.68 0.00 -0.21 1.61 4.81 -1.94 -1.36 114.58 120.17 2cff h GLU 61 Ca 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2cff h GLU 61 Cb 0.85 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.23 2cff h GLU 61 CO 0.09 0.00 0.00 0.09 -0.73 0.00 0.00 179.01 178.46 2cff n ASN 62 N -4.23 1.76 -0.03 1.04 3.02 -1.26 -4.00 115.26 111.55 2cff n ASN 62 Ca 0.05 -1.77 -0.11 0.00 -0.03 0.00 0.00 54.58 52.72 2cff n ASN 62 Cb 0.42 -0.13 -0.04 0.00 -0.61 0.00 0.00 39.78 39.41 2cff n ASN 62 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2cff h LEU 63 N 2.25 0.20 -1.58 3.41 6.46 -1.61 -1.64 115.31 122.79 2cff h LEU 63 Ca 0.00 -0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.66 2cff h LEU 63 Cb 0.50 -0.05 -0.01 0.00 -0.73 0.00 0.00 40.66 40.37 2cff h LEU 63 CO 0.00 0.19 -0.19 -0.65 -0.62 0.00 0.00 178.44 177.18 2cff h PRO 64 N 0.18 0.03 -0.24 5.25 0.11 -1.82 0.12 132.00 135.63 2cff h PRO 64 Ca 0.06 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 66.12 2cff h PRO 64 Cb 0.03 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.13 2cff h PRO 64 CO -0.01 0.22 -0.03 0.28 -0.21 0.00 0.00 178.00 178.24 2cff h VAL 65 N 0.03 1.27 -0.35 3.15 2.07 -1.80 -1.28 116.25 119.34 2cff h VAL 65 Ca 0.00 -1.00 -0.01 0.00 0.82 0.00 0.00 66.70 66.51 2cff h VAL 65 Cb 0.35 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.55 2cff h VAL 65 CO 0.02 0.31 0.16 -0.07 0.02 0.00 0.00 177.57 178.01 2cff h LEU 66 N 0.19 0.42 0.57 2.57 3.38 -0.74 0.17 115.31 121.89 2cff h LEU 66 Ca 0.06 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2cff h LEU 66 Cb 0.48 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.12 2cff h LEU 66 CO 0.02 0.37 -0.28 -0.33 0.09 0.00 0.00 178.44 178.32 2cff h GLU 67 N 0.48 -0.74 -0.80 1.13 5.08 -0.56 -2.35 114.58 116.82 2cff h GLU 67 Ca 0.12 0.05 0.19 0.00 -1.00 0.00 0.00 59.36 58.73 2cff h GLU 67 Cb 0.07 0.17 -0.13 0.00 0.50 0.00 0.00 28.75 29.36 2cff h GLU 67 CO -0.02 -0.45 0.17 0.87 -1.00 0.00 0.00 179.01 178.58 2cff h LYS 68 N -0.88 0.21 0.00 2.33 1.57 -0.91 -1.53 116.57 117.34 2cff h LYS 68 Ca -0.08 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.69 2cff h LYS 68 Cb 0.63 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.90 2cff h LYS 68 CO 0.13 0.14 0.00 1.28 -0.57 0.00 0.00 179.45 180.43 2cff n LEU 69 N -5.22 0.00 0.28 2.94 4.77 0.57 -3.43 117.00 116.91 2cff n LEU 69 Ca 0.17 0.41 0.15 0.00 -0.03 0.00 0.00 56.01 56.71 2cff n LEU 69 Cb 0.56 -0.41 0.82 0.00 -2.33 0.00 0.00 43.42 42.06 2cff n LEU 69 CO 0.08 -0.07 1.03 0.77 -1.33 0.00 0.00 177.39 177.87 2cff h SER 70 N 0.00 0.00 -0.88 -1.43 4.64 -0.71 -1.25 113.55 113.92 2cff h SER 70 Ca 0.00 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 61.52 2cff h SER 70 Cb 0.34 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.31 2cff h SER 70 CO 0.00 0.08 0.40 -0.08 -0.87 0.00 0.00 176.83 176.36 2cff h GLU 71 N 0.00 0.45 -0.52 4.77 4.81 -1.72 -1.56 114.58 120.81 2cff h GLU 71 Ca -0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 2cff h GLU 71 Cb 0.26 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.54 2cff h GLU 71 CO 0.01 0.30 0.00 1.19 -0.73 0.00 0.00 179.01 179.78 2cff n PHE 72 N -4.99 0.69 -0.17 0.92 3.72 -0.49 -4.71 117.46 112.42 2cff n PHE 72 Ca 0.20 -0.34 0.08 0.00 -0.05 0.00 0.00 57.45 57.34 2cff n PHE 72 Cb 0.58 0.00 0.16 0.00 -0.94 0.00 0.00 39.48 39.28 2cff n PHE 72 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2cff n ALA 73 N 1.45 0.28 0.12 4.37 0.00 -0.59 -0.51 120.51 125.63 2cff n ALA 73 Ca 0.21 0.54 0.17 0.00 0.00 0.00 0.00 53.44 54.36 2cff n ALA 73 Cb 0.58 -0.40 0.73 0.00 0.00 0.00 0.00 19.45 20.35 2cff n ALA 73 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.50 178.55 2cff h GLU 74 N 0.00 0.00 -0.50 0.00 4.11 -1.83 -0.46 114.58 115.89 2cff h GLU 74 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.75 2cff h GLU 74 Cb 0.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.92 2cff h GLU 74 CO -0.47 0.00 0.00 0.72 0.07 0.00 0.00 179.01 179.33 2cff n HIS 75 N -4.21 1.28 -4.17 2.06 8.25 0.33 -4.98 115.22 113.78 2cff n HIS 75 Ca 0.04 -0.67 -0.30 0.00 -0.26 0.00 0.00 57.72 56.53 2cff n HIS 75 Cb 0.41 -0.26 -0.09 0.00 1.12 0.00 0.00 29.99 31.17 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 -2.06 3.71 -0.16 1.59 1.01 -0.18 0.17 121.20 125.28 2cff s ILE 76 Ca 0.45 -1.14 0.01 0.00 0.00 0.00 0.00 60.65 59.97 2cff s ILE 76 Cb 0.31 -2.76 0.02 0.00 0.01 0.00 0.00 42.46 40.04 2cff s ILE 76 CO 0.18 0.10 -0.16 0.00 0.00 0.00 0.00 174.94 175.07 2cff s GLN 77 N -2.30 2.50 -0.16 2.79 -2.07 0.15 -4.41 119.66 116.16 2cff s GLN 77 Ca 0.24 -0.64 -0.06 0.00 -1.82 0.00 0.00 55.36 53.07 2cff s GLN 77 Cb -0.11 -2.23 -0.04 0.00 -1.09 0.00 0.00 33.01 29.53 2cff s GLN 77 CO 0.16 -0.22 0.06 -1.50 -1.32 0.00 0.00 175.29 172.48 2cff s ILE 78 N 1.40 4.81 0.25 3.63 1.10 -0.91 -1.75 121.20 129.73 2cff s ILE 78 Ca 0.04 -0.03 0.08 0.00 -0.51 0.00 0.00 60.65 60.23 2cff s ILE 78 Cb -0.13 -3.14 -0.05 0.00 0.15 0.00 0.00 42.46 39.29 2cff s ILE 78 CO -0.11 0.51 -0.13 -0.83 -2.11 0.00 0.00 174.94 172.27 2cff s GLY 79 N -0.02 1.68 0.00 1.50 0.00 -0.55 0.44 107.32 110.36 2cff s GLY 79 Ca 0.06 -1.80 0.00 0.00 0.00 0.00 0.00 44.72 42.99 2cff s GLY 79 CO 0.01 -1.84 0.00 0.61 0.00 0.00 0.00 173.10 171.88 2cff n GLY 80 N -0.51 1.78 2.40 0.20 0.00 -1.26 -1.10 105.19 106.69 2cff n GLY 80 Ca -0.06 -0.41 -0.18 0.00 0.00 0.00 0.00 46.02 45.36 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 0.00 1.26 3.57 -0.02 0.00 -1.26 -3.93 105.19 104.82 2cff n GLY 81 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.61 3.16 -1.47 -0.61 1.01 -1.26 -4.58 121.20 114.83 2cff s ILE 82 Ca 0.00 -0.24 0.13 0.00 0.00 0.00 0.00 60.65 60.54 2cff s ILE 82 Cb 0.00 -3.92 0.19 0.00 0.01 0.00 0.00 42.46 38.74 2cff s ILE 82 CO 0.00 -0.31 1.05 -1.14 0.00 0.00 0.00 174.94 174.54 2cff n ARG 83 N 8.38 1.51 -3.83 2.79 0.63 -1.26 -4.60 116.66 120.27 2cff n ARG 83 Ca 0.43 -1.58 -0.07 0.00 -0.92 0.00 0.00 57.85 55.71 2cff n ARG 83 Cb 0.46 -1.28 -0.01 0.00 0.45 0.00 0.00 32.46 32.09 2cff n ARG 83 CO 0.00 0.00 0.00 -1.54 -2.51 0.00 0.00 177.63 173.58 2cff s SER 84 N -1.07 -0.17 0.13 6.15 1.04 -1.26 -4.73 113.70 113.79 2cff s SER 84 Ca 0.20 -0.71 0.11 0.00 0.48 0.00 0.00 55.95 56.02 2cff s SER 84 Cb 0.12 0.71 -0.14 0.00 0.10 0.00 0.00 66.02 66.81 2cff s SER 84 CO 0.17 -1.35 1.17 0.25 0.98 0.00 0.00 173.24 174.47 2cff h LEU 85 N 2.00 0.00 -0.13 2.42 5.85 -1.99 -3.14 115.31 120.32 2cff h LEU 85 Ca -0.23 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.48 2cff h LEU 85 Cb 1.25 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 42.27 2cff h LEU 85 CO 0.28 0.83 0.06 0.44 -0.34 0.00 0.00 178.44 179.72 2cff h ASP 86 N 0.00 0.18 -0.15 1.25 5.19 -1.99 -1.27 116.42 119.63 2cff h ASP 86 Ca -0.07 -0.13 -0.02 0.00 -0.62 0.00 0.00 57.03 56.19 2cff h ASP 86 Cb 1.70 -0.05 -0.01 0.00 0.18 0.00 0.00 39.33 41.16 2cff h ASP 86 CO 0.10 0.26 0.04 0.22 -3.12 0.00 0.00 179.24 176.73 2cff h TYR 87 N 0.08 0.26 -0.80 4.55 3.20 -1.99 -1.03 116.97 121.24 2cff h TYR 87 Ca 0.05 -0.03 0.19 0.00 3.14 0.00 0.00 58.73 62.07 2cff h TYR 87 Cb 0.13 -0.07 -0.12 0.00 1.54 0.00 0.00 36.73 38.21 2cff h TYR 87 CO -0.03 0.39 0.23 0.00 -1.64 0.00 0.00 178.16 177.12 2cff h ALA 88 N 0.84 1.11 -0.54 1.82 0.00 -1.51 0.18 119.26 121.15 2cff h ALA 88 Ca 0.05 0.18 -0.07 0.00 0.00 0.00 0.00 54.91 55.06 2cff h ALA 88 Cb 0.26 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 2cff h ALA 88 CO 0.00 -0.36 0.04 1.49 0.00 0.00 0.00 179.25 180.42 2cff h GLU 89 N 0.29 0.89 -0.32 0.00 4.81 -0.65 -1.67 114.58 117.92 2cff h GLU 89 Ca 0.47 -0.23 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2cff h GLU 89 Cb 0.85 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 30.11 2cff h GLU 89 CO -0.55 0.86 0.21 -0.22 -0.73 0.00 0.00 179.01 178.58 2cff h LYS 90 N 0.83 0.43 -0.18 1.92 3.64 0.59 0.87 116.57 124.68 2cff h LYS 90 Ca 0.16 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.44 2cff h LYS 90 Cb 0.44 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.16 2cff h LYS 90 CO 0.02 0.30 -0.16 -0.07 -2.27 0.00 0.00 179.45 177.27 2cff h LEU 91 N 0.43 0.46 -0.70 5.20 3.38 -1.07 -2.99 115.31 120.01 2cff h LEU 91 Ca 0.12 -0.46 0.14 0.00 0.09 0.00 0.00 57.88 57.77 2cff h LEU 91 Cb -0.03 -0.13 -0.10 0.00 0.09 0.00 0.00 40.66 40.50 2cff h LEU 91 CO -0.02 0.83 0.19 -0.09 0.09 0.00 0.00 178.44 179.43 2cff h ARG 92 N 0.09 0.30 0.00 1.13 9.65 -1.15 0.43 114.38 124.83 2cff h ARG 92 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2cff h ARG 92 Cb 0.69 -0.07 0.00 0.00 -1.39 0.00 0.00 29.97 29.20 2cff h ARG 92 CO 0.04 0.20 0.00 1.63 2.80 0.00 0.00 179.97 184.64 2cff n LYS 93 N -5.11 0.43 0.00 0.20 4.76 0.29 -0.65 118.16 118.08 2cff n LYS 93 Ca 0.13 0.04 0.08 0.00 -2.87 0.00 0.00 58.31 55.69 2cff n LYS 93 Cb 0.41 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.03 2cff n LYS 93 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 2cff n LEU 94 N -1.08 1.11 0.00 -0.35 4.77 0.14 -4.99 117.00 116.60 2cff n LEU 94 Ca 0.11 -0.58 0.00 0.00 -0.03 0.00 0.00 56.01 55.51 2cff n LEU 94 Cb 0.07 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2cff n LEU 94 CO 0.10 0.24 0.00 0.61 -1.33 0.00 0.00 177.39 177.01 2cff n GLY 95 N 1.35 1.22 3.59 -0.72 0.00 0.18 -4.69 105.19 106.12 2cff n GLY 95 Ca 0.05 0.00 -0.42 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 2.58 -1.24 1.61 1.51 -0.84 -4.48 117.35 114.48 2cff s TYR 96 Ca 0.00 0.54 0.12 0.00 -1.01 0.00 0.00 57.07 56.72 2cff s TYR 96 Cb 0.00 -4.45 0.03 0.00 -0.11 0.00 0.00 41.96 37.43 2cff s TYR 96 CO 0.00 -1.62 0.76 0.54 -1.11 0.00 0.00 175.55 174.12 2cff n ARG 97 N 8.28 1.60 -4.04 -0.62 1.74 -1.26 -3.37 116.66 118.98 2cff n ARG 97 Ca 0.11 -0.84 -0.31 0.00 -0.77 0.00 0.00 57.85 56.04 2cff n ARG 97 Cb 0.49 -1.17 -0.16 0.00 -1.02 0.00 0.00 32.46 30.60 2cff n ARG 97 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2cff s ARG 98 N -1.39 2.38 -0.03 5.56 3.52 -1.26 -0.80 118.95 126.92 2cff s ARG 98 Ca 0.11 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.90 2cff s ARG 98 Cb 0.10 -2.44 0.01 0.00 -1.56 0.00 0.00 34.95 31.06 2cff s ARG 98 CO 0.26 -0.34 -0.06 -0.65 -0.81 0.00 0.00 175.30 173.70 2cff s GLN 99 N 1.35 0.79 -0.30 5.12 -0.21 -0.39 -2.14 119.66 123.88 2cff s GLN 99 Ca 0.01 -0.17 -0.15 0.00 0.02 0.00 0.00 55.36 55.06 2cff s GLN 99 Cb -0.15 -0.77 -0.03 0.00 1.00 0.00 0.00 33.01 33.06 2cff s GLN 99 CO -0.10 0.01 0.39 0.42 -2.12 0.00 0.00 175.29 173.89 2cff s ILE 100 N 0.52 5.15 0.28 1.08 1.01 0.17 -0.41 121.20 129.01 2cff s ILE 100 Ca -0.07 0.42 0.06 0.00 0.00 0.00 0.00 60.65 61.06 2cff s ILE 100 Cb -0.11 -3.77 -0.06 0.00 0.01 0.00 0.00 42.46 38.54 2cff s ILE 100 CO 0.00 0.05 -0.05 0.68 0.00 0.00 0.00 174.94 175.61 2cff s VAL 101 N 2.11 1.63 0.00 2.92 -7.23 -0.21 -4.10 120.40 115.51 2cff s VAL 101 Ca 0.15 -2.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.20 2cff s VAL 101 Cb -0.16 -2.46 0.00 0.00 0.56 0.00 0.00 36.38 34.32 2cff s VAL 101 CO 0.11 -0.29 0.00 -0.24 -0.31 0.00 0.00 175.10 174.37 2cff n SER 102 N -0.58 0.00 0.01 4.85 2.88 -1.26 -1.67 113.62 117.85 2cff n SER 102 Ca -0.05 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.48 2cff n SER 102 Cb 0.63 0.00 0.28 0.00 -0.75 0.00 0.00 64.21 64.38 2cff n SER 102 CO 0.00 0.00 0.00 0.77 -1.23 0.00 0.00 175.04 174.58 2cff h SER 103 N 0.00 0.46 0.01 -3.46 4.64 -1.92 -2.41 113.55 110.87 2cff h SER 103 Ca 0.00 -0.10 -0.05 0.00 -0.47 0.00 0.00 61.79 61.17 2cff h SER 103 Cb 0.00 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 61.96 2cff h SER 103 CO 0.00 0.58 -0.12 0.50 -0.87 0.00 0.00 176.83 176.93 2cff h LYS 104 N 0.46 0.24 -0.21 4.77 1.63 -1.86 -2.21 116.57 119.40 2cff h LYS 104 Ca 0.09 -0.05 -0.19 0.00 -0.85 0.00 0.00 60.65 59.65 2cff h LYS 104 Cb 0.42 -0.03 0.00 0.00 -0.60 0.00 0.00 32.23 32.01 2cff h LYS 104 CO 0.02 0.37 -0.62 0.28 -3.45 0.00 0.00 179.45 176.05 2cff h VAL 105 N 0.23 1.30 0.00 2.00 2.07 -1.60 0.25 116.25 120.51 2cff h VAL 105 Ca 0.05 -1.85 -0.07 0.00 0.82 0.00 0.00 66.70 65.65 2cff h VAL 105 Cb 0.36 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 2cff h VAL 105 CO 0.02 0.59 -0.32 -0.07 0.02 0.00 0.00 177.57 177.80 2cff h LEU 106 N 0.53 0.00 -0.11 2.57 3.38 -1.37 -1.08 115.31 119.23 2cff h LEU 106 Ca -0.01 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.87 2cff h LEU 106 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 2cff h LEU 106 CO 0.13 0.32 -0.29 -0.08 0.09 0.00 0.00 178.44 178.61 2cff h GLU 107 N 0.00 0.38 -2.49 1.13 4.81 -1.14 -3.43 114.58 113.85 2cff h GLU 107 Ca -0.00 -0.27 -0.40 0.00 -0.13 0.00 0.00 59.36 58.56 2cff h GLU 107 Cb 0.59 0.04 -0.36 0.00 0.63 0.00 0.00 28.75 29.65 2cff h GLU 107 CO 0.04 0.89 -0.69 0.34 -0.73 0.00 0.00 179.01 178.86 2cff s ASP 108 N -6.36 2.24 0.24 1.04 -1.08 0.87 -5.03 116.67 108.59 2cff s ASP 108 Ca -0.14 -0.79 0.25 0.00 -0.52 0.00 0.00 52.55 51.35 2cff s ASP 108 Cb 0.05 0.16 0.88 0.00 -1.46 0.00 0.00 42.92 42.55 2cff s ASP 108 CO 0.78 -0.39 1.75 -0.81 0.52 0.00 0.00 175.17 177.02 2cff n PRO 109 N 5.29 0.24 0.18 4.34 -0.05 -0.45 -1.80 135.00 142.76 2cff n PRO 109 Ca -0.04 0.31 0.14 0.00 -0.05 0.00 0.00 63.50 63.85 2cff n PRO 109 Cb 0.46 -1.85 0.58 0.00 -0.05 0.00 0.00 33.50 32.64 2cff n PRO 109 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 175.50 176.11 2cff h SER 110 N 0.00 0.00 -0.98 3.54 4.64 -1.90 -2.99 113.55 115.86 2cff h SER 110 Ca 0.00 0.00 0.22 0.00 -0.47 0.00 0.00 61.79 61.54 2cff h SER 110 Cb 0.59 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 62.56 2cff h SER 110 CO 0.00 0.00 0.56 0.15 -0.87 0.00 0.00 176.83 176.67 2cff h PHE 111 N 0.00 0.97 -0.87 4.77 3.57 -1.70 -1.87 116.94 121.81 2cff h PHE 111 Ca 0.00 0.04 0.15 0.00 3.53 0.00 0.00 57.97 61.69 2cff h PHE 111 Cb 0.36 -0.28 -0.09 0.00 2.79 0.00 0.00 35.95 38.73 2cff h PHE 111 CO 0.00 0.10 0.46 -0.07 -2.23 0.00 0.00 178.31 176.57 2cff h LEU 112 N 0.61 0.57 -0.03 0.59 3.38 -1.75 -2.12 115.31 116.55 2cff h LEU 112 Ca 0.61 0.09 -0.08 0.00 0.09 0.00 0.00 57.88 58.59 2cff h LEU 112 Cb 1.09 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 2cff h LEU 112 CO -0.45 0.24 -0.36 0.50 0.09 0.00 0.00 178.44 178.46 2cff h LYS 113 N 0.65 0.00 -0.07 1.13 1.63 -1.56 -3.06 116.57 115.28 2cff h LYS 113 Ca 0.48 0.00 -0.13 0.00 -0.85 0.00 0.00 60.65 60.15 2cff h LYS 113 Cb 0.67 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.29 2cff h LYS 113 CO -0.36 0.36 -0.54 0.77 -3.45 0.00 0.00 179.45 176.23 2cff h SER 114 N 0.00 0.22 -0.39 4.20 0.02 -1.13 -1.38 113.55 115.09 2cff h SER 114 Ca -0.00 -0.12 -0.12 0.00 -0.84 0.00 0.00 61.79 60.71 2cff h SER 114 Cb 1.27 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.73 2cff h SER 114 CO 0.05 0.72 -0.22 -0.07 -1.14 0.00 0.00 176.83 176.17 2cff h LEU 115 N 0.16 0.91 -0.71 5.07 3.38 -1.39 -2.50 115.31 120.23 2cff h LEU 115 Ca 0.00 -0.34 -0.11 0.00 0.09 0.00 0.00 57.88 57.52 2cff h LEU 115 Cb 1.01 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 2cff h LEU 115 CO 0.08 1.09 -0.20 0.03 0.09 0.00 0.00 178.44 179.54 2cff h ARG 116 N 0.77 0.78 0.29 1.13 3.08 -1.31 0.50 114.38 119.62 2cff h ARG 116 Ca 0.10 -0.30 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 2cff h ARG 116 Cb 0.77 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.76 2cff h ARG 116 CO 0.06 0.92 -0.34 0.93 -1.07 0.00 0.00 179.97 180.47 2cff h GLU 117 N 0.69 -0.62 0.00 0.04 5.08 -1.17 -1.88 114.58 116.73 2cff h GLU 117 Ca 0.10 0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2cff h GLU 117 Cb 0.70 0.14 0.00 0.00 0.50 0.00 0.00 28.75 30.09 2cff h GLU 117 CO 0.05 -0.41 0.00 0.44 -1.00 0.00 0.00 179.01 178.09 2cff n ILE 118 N -4.43 0.00 -2.57 3.13 -5.35 -0.95 -4.78 119.36 104.41 2cff n ILE 118 Ca -0.08 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.31 2cff n ILE 118 Cb 0.30 -0.40 0.01 0.00 -1.74 0.00 0.00 39.64 37.82 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 -0.53 -3.47 -4.39 7.28 2.03 -0.69 -5.04 116.55 111.74 2cff n ASP 119 Ca 0.00 -0.12 -0.34 0.00 0.52 0.00 0.00 54.79 54.86 2cff n ASP 119 Cb 0.00 -2.39 -0.13 0.00 -0.72 0.00 0.00 41.12 37.87 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 -2.79 3.45 -0.43 5.18 1.01 0.17 -4.81 120.40 122.17 2cff s VAL 120 Ca 0.12 -0.50 -0.28 0.00 0.00 0.00 0.00 61.98 61.33 2cff s VAL 120 Cb -0.05 -2.51 0.03 0.00 0.00 0.00 0.00 36.38 33.84 2cff s VAL 120 CO 0.15 0.48 1.05 -0.70 0.00 0.00 0.00 175.10 176.08 2cff s GLU 121 N 0.75 3.75 0.12 2.72 2.56 0.02 -2.94 118.70 125.67 2cff s GLU 121 Ca -0.03 0.56 -0.24 0.00 0.00 0.00 0.00 54.97 55.26 2cff s GLU 121 Cb -0.15 -3.87 -0.07 0.00 2.00 0.00 0.00 34.13 32.04 2cff s GLU 121 CO 0.02 -1.21 0.74 -1.25 -0.56 0.00 0.00 175.26 173.00 2cff s PRO 122 N 4.03 4.49 -0.16 4.30 0.05 -1.26 -1.26 135.00 145.19 2cff s PRO 122 Ca 0.44 1.06 0.01 0.00 0.05 0.00 0.00 61.00 62.56 2cff s PRO 122 Cb -0.09 -3.29 0.02 0.00 0.05 0.00 0.00 34.50 31.19 2cff s PRO 122 CO 0.26 0.50 -0.19 0.08 0.05 0.00 0.00 177.00 177.71 2cff s VAL 123 N -0.82 1.90 -0.17 -0.36 1.01 0.45 -4.59 120.40 117.81 2cff s VAL 123 Ca 0.35 -0.85 -0.26 0.00 0.00 0.00 0.00 61.98 61.23 2cff s VAL 123 Cb -0.22 -1.72 -0.01 0.00 0.00 0.00 0.00 36.38 34.43 2cff s VAL 123 CO 0.24 0.51 0.85 0.12 0.00 0.00 0.00 175.10 176.82 2cff s PHE 124 N 1.22 3.41 -0.50 5.22 5.36 -0.53 -1.04 117.98 131.12 2cff s PHE 124 Ca 0.02 1.27 -0.26 0.00 -0.96 0.00 0.00 56.93 57.00 2cff s PHE 124 Cb -0.14 -3.03 0.03 0.00 -0.34 0.00 0.00 43.02 39.54 2cff s PHE 124 CO -0.09 -0.26 0.99 0.45 -1.46 0.00 0.00 175.22 174.85 2cff s SER 125 N 1.17 6.47 -0.52 6.13 0.15 -0.67 -0.67 113.70 125.77 2cff s SER 125 Ca 0.39 0.06 -0.16 0.00 0.70 0.00 0.00 55.95 56.94 2cff s SER 125 Cb -0.16 -2.47 0.11 0.00 -1.71 0.00 0.00 66.02 61.78 2cff s SER 125 CO 0.12 -1.17 0.46 -0.22 1.20 0.00 0.00 173.24 173.63 2cff s LEU 126 N 4.05 5.99 -0.17 3.45 2.96 0.19 -4.81 118.68 130.34 2cff s LEU 126 Ca 0.38 -1.64 -0.18 0.00 -0.22 0.00 0.00 54.13 52.47 2cff s LEU 126 Cb -0.10 -2.20 -0.04 0.00 0.50 0.00 0.00 46.19 44.36 2cff s LEU 126 CO 0.25 -0.79 0.50 -0.69 -1.32 0.00 0.00 176.35 174.30 2cff s VAL 127 N 1.61 5.14 0.21 1.68 1.01 -1.26 -1.26 120.40 127.53 2cff s VAL 127 Ca 0.03 0.94 0.11 0.00 0.00 0.00 0.00 61.98 63.07 2cff s VAL 127 Cb -0.28 -3.83 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2cff s VAL 127 CO 0.04 0.24 -0.20 0.42 0.00 0.00 0.00 175.10 175.60 2cff s THR 128 N 1.22 2.56 -0.05 3.92 -4.23 0.45 -1.57 115.64 117.94 2cff s THR 128 Ca 0.25 -2.02 -0.02 0.00 -1.18 0.00 0.00 61.69 58.71 2cff s THR 128 Cb -0.15 -2.26 0.03 0.00 1.34 0.00 0.00 72.50 71.45 2cff s THR 128 CO 0.10 -0.17 0.04 -0.60 -0.54 0.00 0.00 174.62 173.44 2cff s ARG 129 N -2.88 0.15 -1.43 3.99 3.52 -0.01 -0.06 118.95 122.23 2cff s ARG 129 Ca 0.23 0.28 -0.10 0.00 -0.13 0.00 0.00 55.73 56.01 2cff s ARG 129 Cb -0.08 -0.65 0.03 0.00 -1.56 0.00 0.00 34.95 32.70 2cff s ARG 129 CO 0.12 -0.31 1.05 0.41 -0.81 0.00 0.00 175.30 175.76 2cff n GLY 130 N 5.19 -0.53 3.68 8.12 0.00 -1.26 -1.95 105.19 118.45 2cff n GLY 130 Ca -0.06 0.22 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.85 2.72 3.89 -0.02 0.00 -1.26 -5.00 105.19 103.66 2cff n GLY 131 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 0.00 3.49 0.15 1.61 3.00 -0.82 -4.69 118.95 121.69 2cff s ARG 132 Ca 0.00 -0.21 -0.31 0.00 0.00 0.00 0.00 55.73 55.21 2cff s ARG 132 Cb 0.00 -3.11 -0.10 0.00 0.00 0.00 0.00 34.95 31.74 2cff s ARG 132 CO 0.00 0.68 1.67 0.08 0.00 0.00 0.00 175.30 177.73 2cff s VAL 133 N -1.27 2.54 -0.08 3.52 1.01 -1.25 -0.83 120.40 124.03 2cff s VAL 133 Ca 0.25 0.28 -0.17 0.00 0.00 0.00 0.00 61.98 62.35 2cff s VAL 133 Cb -0.13 -3.18 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 2cff s VAL 133 CO 0.15 0.01 0.44 0.00 0.00 0.00 0.00 175.10 175.71 2cff s ALA 134 N 1.70 3.56 0.14 5.51 0.00 -0.61 -4.85 121.76 127.21 2cff s ALA 134 Ca 0.74 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 52.52 2cff s ALA 134 Cb -0.45 -2.54 -0.04 0.00 0.00 0.00 0.00 23.12 20.09 2cff s ALA 134 CO 0.32 0.17 -0.11 -0.06 0.00 0.00 0.00 175.76 176.08 2cff s PHE 135 N 0.05 1.26 0.00 0.00 0.40 -1.26 -4.73 117.98 113.69 2cff s PHE 135 Ca 0.24 -0.71 0.00 0.00 -0.60 0.00 0.00 56.93 55.86 2cff s PHE 135 Cb -0.15 -0.65 0.00 0.00 0.51 0.00 0.00 43.02 42.73 2cff s PHE 135 CO 0.11 0.08 0.00 1.63 0.70 0.00 0.00 175.22 177.74 2cff n LYS 136 N 0.03 2.58 0.00 0.44 5.02 -1.26 -4.16 118.16 120.80 2cff n LYS 136 Ca -0.12 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.17 2cff n LYS 136 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.61 2cff n LYS 136 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2cff n GLY 137 N 5.00 0.97 0.05 0.72 0.00 -1.26 -1.03 105.19 109.64 2cff n GLY 137 Ca 0.00 -0.65 0.15 0.00 0.00 0.00 0.00 46.02 45.52 2cff n GLY 137 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 2cff n TRP 138 N 0.00 0.00 0.23 1.61 7.02 -1.26 -3.11 117.44 121.93 2cff n TRP 138 Ca 0.00 0.00 0.13 0.00 -1.02 0.00 0.00 57.50 56.61 2cff n TRP 138 Cb 0.00 -0.17 0.25 0.00 -2.42 0.00 0.00 31.31 28.97 2cff n TRP 138 CO 0.00 0.00 0.00 -0.07 -2.02 0.00 0.00 177.69 175.60 2cff h LEU 139 N 0.25 0.00 -1.13 -0.99 4.07 -1.88 -3.41 115.31 112.21 2cff h LEU 139 Ca 0.00 0.00 0.38 0.00 0.08 0.00 0.00 57.88 58.34 2cff h LEU 139 Cb 0.24 0.00 -0.10 0.00 1.08 0.00 0.00 40.66 41.89 2cff h LEU 139 CO 0.00 0.02 0.75 0.00 -1.08 0.00 0.00 178.44 178.13 2cff n ALA 140 N -2.10 1.11 0.00 1.53 0.00 -0.20 -0.40 120.51 120.45 2cff n ALA 140 Ca 0.03 0.62 0.07 0.00 0.00 0.00 0.00 53.44 54.16 2cff n ALA 140 Cb 0.50 -0.81 0.15 0.00 0.00 0.00 0.00 19.45 19.29 2cff n ALA 140 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2cff n GLU 141 N -4.04 2.30 -2.31 0.00 0.00 -1.26 -4.60 120.64 110.74 2cff n GLU 141 Ca 0.31 -1.93 -0.33 0.00 0.00 0.00 0.00 57.16 55.21 2cff n GLU 141 Cb 1.25 -1.31 -0.01 0.00 0.00 0.00 0.00 31.44 31.37 2cff n GLU 141 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 177.13 175.13 2cff s GLU 142 N -1.03 3.58 -0.81 3.44 2.56 0.46 -4.96 118.70 121.93 2cff s GLU 142 Ca 0.25 1.29 0.01 0.00 0.00 0.00 0.00 54.97 56.51 2cff s GLU 142 Cb 0.14 -2.07 0.35 0.00 2.00 0.00 0.00 34.13 34.55 2cff s GLU 142 CO 0.18 -0.61 1.61 -0.85 -0.56 0.00 0.00 175.26 175.04 2cff n GLU 143 N -1.46 4.03 -3.82 4.30 0.00 -1.26 -4.82 120.64 117.61 2cff n GLU 143 Ca 0.09 -4.38 -0.37 0.00 0.00 0.00 0.00 57.16 52.50 2cff n GLU 143 Cb 0.53 -2.34 -0.06 0.00 0.00 0.00 0.00 31.44 29.56 2cff n GLU 143 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.13 177.55 2cff s ILE 144 N -4.72 5.45 -0.06 3.84 1.09 -1.26 -5.08 121.20 120.46 2cff s ILE 144 Ca 0.46 0.27 -0.30 0.00 -1.10 0.00 0.00 60.65 59.98 2cff s ILE 144 Cb 0.30 -3.44 -0.02 0.00 -1.06 0.00 0.00 42.46 38.24 2cff s ILE 144 CO -0.22 0.58 1.02 -0.62 -0.10 0.00 0.00 174.94 175.61 2cff s ASP 145 N -0.79 7.27 0.29 3.58 -1.08 -1.26 -3.95 116.67 120.72 2cff s ASP 145 Ca 0.15 1.61 -0.01 0.00 -0.52 0.00 0.00 52.55 53.78 2cff s ASP 145 Cb -0.12 -2.56 0.64 0.00 -1.46 0.00 0.00 42.92 39.42 2cff s ASP 145 CO 0.04 -0.40 1.48 -2.65 0.52 0.00 0.00 175.17 174.16 2cff n PRO 146 N 4.62 -0.08 0.14 4.34 -0.02 -1.26 -1.55 135.00 141.19 2cff n PRO 146 Ca 0.08 1.43 -0.14 0.00 -2.02 0.00 0.00 63.50 62.86 2cff n PRO 146 Cb 0.49 -2.24 -0.08 0.00 -0.02 0.00 0.00 33.50 31.65 2cff n PRO 146 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 2cff h VAL 147 N 0.00 0.81 -0.98 -1.45 2.07 -1.92 -2.57 116.25 112.21 2cff h VAL 147 Ca 0.54 -0.32 0.20 0.00 0.82 0.00 0.00 66.70 67.94 2cff h VAL 147 Cb 1.04 1.00 -0.09 0.00 -1.52 0.00 0.00 31.29 31.72 2cff h VAL 147 CO -0.91 0.07 0.62 0.28 0.02 0.00 0.00 177.57 177.64 2cff h SER 148 N -0.48 0.65 0.00 0.57 0.02 -1.68 -2.37 113.55 110.26 2cff h SER 148 Ca -0.03 0.08 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 2cff h SER 148 Cb 0.36 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 62.87 2cff h SER 148 CO 0.05 0.23 -0.18 0.25 -1.14 0.00 0.00 176.83 176.04 2cff h LEU 149 N 0.63 0.15 -0.45 5.07 5.85 -1.36 -2.63 115.31 122.57 2cff h LEU 149 Ca 0.55 -0.80 0.09 0.00 0.84 0.00 0.00 57.88 58.56 2cff h LEU 149 Cb 1.03 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.94 2cff h LEU 149 CO -0.31 0.93 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.63 2cff h LEU 150 N -0.60 -0.23 -0.90 2.25 3.38 -1.24 -0.42 115.31 117.55 2cff h LEU 150 Ca -0.02 0.11 0.04 0.00 0.09 0.00 0.00 57.88 58.10 2cff h LEU 150 Cb 0.96 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.86 2cff h LEU 150 CO 0.04 -0.07 0.58 0.11 0.09 0.00 0.00 178.44 179.18 2cff h LYS 151 N 0.09 1.07 -0.65 1.13 1.57 -1.49 0.20 116.57 118.49 2cff h LYS 151 Ca 0.23 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.94 2cff h LYS 151 Cb 0.33 -0.24 -0.03 0.00 0.08 0.00 0.00 32.23 32.37 2cff h LYS 151 CO -0.39 0.71 0.41 0.00 -0.57 0.00 0.00 179.45 179.61 2cff h ARG 152 N 1.10 0.87 0.00 3.15 3.08 -0.99 -2.78 114.38 118.81 2cff h ARG 152 Ca 0.37 -0.07 -0.03 0.00 0.07 0.00 0.00 59.98 60.32 2cff h ARG 152 Cb 0.05 -0.19 -0.00 0.00 0.08 0.00 0.00 29.97 29.91 2cff h ARG 152 CO -0.13 0.60 -0.15 -0.07 -1.07 0.00 0.00 179.97 179.15 2cff h LEU 153 N 0.88 0.00 -1.16 3.04 4.07 -0.24 -3.01 115.31 118.89 2cff h LEU 153 Ca 0.23 0.00 -0.08 0.00 0.08 0.00 0.00 57.88 58.11 2cff h LEU 153 Cb -0.06 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.67 2cff h LEU 153 CO -0.05 0.15 -0.35 0.11 -1.08 0.00 0.00 178.44 177.22 2cff h LYS 154 N 0.00 0.13 0.00 1.13 1.57 -0.36 -0.02 116.57 119.02 2cff h LYS 154 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 2cff h LYS 154 Cb 0.81 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.11 2cff h LYS 154 CO 0.02 0.46 0.00 0.39 -0.57 0.00 0.00 179.45 179.75 2cff n GLU 155 N -4.10 0.32 -0.08 3.15 1.02 -1.14 -1.78 120.64 118.03 2cff n GLU 155 Ca -0.02 0.09 0.07 0.00 -0.02 0.00 0.00 57.16 57.29 2cff n GLU 155 Cb 0.41 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.44 2cff n GLU 155 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 2cff n TYR 156 N -1.24 0.22 0.00 -0.32 4.02 -0.07 -4.98 117.16 114.78 2cff n TYR 156 Ca 0.10 -0.18 0.00 0.00 -0.01 0.00 0.00 57.90 57.81 2cff n TYR 156 Cb 0.14 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.45 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 0.84 0.95 3.71 2.72 0.00 -0.73 -4.46 105.19 108.21 2cff n GLY 157 Ca 0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 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 4.37 0.00 0.99 2.96 -0.89 -4.90 118.68 121.21 2cff s LEU 158 Ca 0.00 2.57 0.00 0.00 -0.22 0.00 0.00 54.13 56.48 2cff s LEU 158 Cb 0.00 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.10 2cff s LEU 158 CO 0.00 -0.82 0.00 -0.62 -1.32 0.00 0.00 176.35 173.59 2cff n GLU 159 N 4.32 0.00 -4.60 1.98 1.02 -1.26 -4.54 120.64 117.55 2cff n GLU 159 Ca 0.14 0.00 -0.22 0.00 -0.02 0.00 0.00 57.16 57.06 2cff n GLU 159 Cb 0.39 -0.80 -0.15 0.00 -0.02 0.00 0.00 31.44 30.86 2cff n GLU 159 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 2cff s GLU 160 N -1.88 1.09 0.16 3.49 2.02 -1.26 -0.47 118.70 121.84 2cff s GLU 160 Ca 0.00 -0.47 0.07 0.00 0.02 0.00 0.00 54.97 54.58 2cff s GLU 160 Cb 0.00 -1.05 -0.04 0.00 0.10 0.00 0.00 34.13 33.14 2cff s GLU 160 CO 0.00 0.28 -0.14 0.96 0.02 0.00 0.00 175.26 176.38 2cff s ILE 161 N -0.28 1.49 -0.21 -1.63 -4.36 0.34 -1.46 121.20 115.09 2cff s ILE 161 Ca 0.05 -1.98 -0.10 0.00 -0.26 0.00 0.00 60.65 58.36 2cff s ILE 161 Cb -0.05 -1.81 -0.05 0.00 1.25 0.00 0.00 42.46 41.80 2cff s ILE 161 CO -0.00 -0.53 0.13 -0.69 0.24 0.00 0.00 174.94 174.08 2cff s VAL 162 N -2.66 5.27 -0.38 8.37 1.01 0.16 -1.42 120.40 130.74 2cff s VAL 162 Ca 0.16 0.14 -0.13 0.00 0.00 0.00 0.00 61.98 62.15 2cff s VAL 162 Cb -0.02 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2cff s VAL 162 CO 0.04 0.41 0.26 -2.28 0.00 0.00 0.00 175.10 173.53 2cff s HIS 163 N 0.65 3.24 -0.28 5.22 2.46 0.44 0.54 115.29 127.56 2cff s HIS 163 Ca 0.07 -0.61 -0.06 0.00 0.47 0.00 0.00 55.06 54.93 2cff s HIS 163 Cb -0.12 -2.52 0.01 0.00 -0.13 0.00 0.00 32.58 29.82 2cff s HIS 163 CO 0.01 -0.55 0.04 0.99 -2.47 0.00 0.00 174.74 172.76 2cff s THR 164 N 1.65 3.74 -0.51 0.89 2.01 -0.39 0.08 115.64 123.12 2cff s THR 164 Ca 0.04 -0.71 -0.27 0.00 0.31 0.00 0.00 61.69 61.07 2cff s THR 164 Cb -0.19 -2.90 0.03 0.00 0.01 0.00 0.00 72.50 69.46 2cff s THR 164 CO 0.09 0.14 1.04 -1.61 -0.69 0.00 0.00 174.62 173.59 2cff s GLU 165 N 1.47 3.54 0.07 4.92 2.02 -0.85 -0.41 118.70 129.46 2cff s GLU 165 Ca 0.03 0.21 -0.15 0.00 0.02 0.00 0.00 54.97 55.07 2cff s GLU 165 Cb -0.17 -3.96 -0.17 0.00 0.10 0.00 0.00 34.13 29.92 2cff s GLU 165 CO 0.01 -1.41 1.25 0.97 0.02 0.00 0.00 175.26 176.10 2cff h ILE 166 N 6.13 1.32 -1.27 -1.63 6.09 -0.81 -3.07 117.51 124.28 2cff h ILE 166 Ca -0.24 -1.92 0.37 0.00 -1.37 0.00 0.00 64.86 61.70 2cff h ILE 166 Cb 1.07 2.13 -0.08 0.00 0.47 0.00 0.00 36.82 40.40 2cff h ILE 166 CO 1.10 0.59 0.87 1.05 -3.07 0.00 0.00 178.15 178.69 2cff h GLU 167 N 0.31 0.12 -4.55 2.19 9.09 -1.86 -3.08 114.58 116.80 2cff h GLU 167 Ca -0.05 -0.01 -0.71 0.00 0.05 0.00 0.00 59.36 58.65 2cff h GLU 167 Cb 1.30 -0.03 -0.27 0.00 -1.65 0.00 0.00 28.75 28.10 2cff h GLU 167 CO 0.13 0.08 -0.52 -1.59 0.05 0.00 0.00 179.01 177.17 2cff s LYS 168 N -5.16 2.67 -0.30 1.06 -2.85 -1.16 -4.70 119.74 109.30 2cff s LYS 168 Ca -0.07 -1.27 -0.12 0.00 -1.00 0.00 0.00 55.97 53.52 2cff s LYS 168 Cb 0.25 -3.69 0.18 0.00 -2.06 0.00 0.00 37.83 32.51 2cff s LYS 168 CO 0.82 -0.80 0.95 0.34 0.10 0.00 0.00 175.35 176.76 2cff s ASP 169 N 1.75 -0.65 -1.61 0.03 2.15 -1.17 -3.08 116.67 114.09 2cff s ASP 169 Ca 0.02 0.55 -0.03 0.00 0.43 0.00 0.00 52.55 53.52 2cff s ASP 169 Cb -0.21 1.61 0.01 0.00 -0.30 0.00 0.00 42.92 44.02 2cff s ASP 169 CO 0.04 -0.12 0.38 0.61 -0.17 0.00 0.00 175.17 175.90 2cff n GLY 170 N 5.31 -0.51 2.96 2.66 0.00 -1.26 -0.83 105.19 113.52 2cff n GLY 170 Ca -0.07 0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 2cff n GLY 170 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2cff n THR 171 N -4.29 0.00 0.25 2.61 -2.24 -1.26 -4.65 114.28 104.70 2cff n THR 171 Ca -0.16 -1.88 0.11 0.00 -2.27 0.00 0.00 64.05 59.85 2cff n THR 171 Cb 0.64 0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 69.08 2cff n THR 171 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2cff n LEU 172 N 0.00 0.52 -4.50 3.22 -0.00 -1.26 -4.85 117.00 110.13 2cff n LEU 172 Ca -0.13 0.09 -0.30 0.00 -0.00 0.00 0.00 56.01 55.67 2cff n LEU 172 Cb 0.51 -0.05 0.26 0.00 -0.00 0.00 0.00 43.42 44.14 2cff n LEU 172 CO 0.28 -0.04 0.55 -1.10 -0.00 0.00 0.00 177.39 177.08 2cff s GLN 173 N -3.34 -1.76 -0.16 1.47 -0.21 -1.26 -4.91 119.66 109.48 2cff s GLN 173 Ca -0.01 0.02 -0.01 0.00 0.02 0.00 0.00 55.36 55.38 2cff s GLN 173 Cb 0.13 -1.53 -0.01 0.00 1.00 0.00 0.00 33.01 32.60 2cff s GLN 173 CO 0.83 -4.08 -0.12 -2.00 -2.12 0.00 0.00 175.29 167.80 2cff s GLU 174 N -5.27 3.32 0.36 2.91 2.56 -1.26 -4.35 118.70 116.96 2cff s GLU 174 Ca 0.70 -0.70 -0.25 0.00 0.00 0.00 0.00 54.97 54.72 2cff s GLU 174 Cb -0.11 -2.71 -0.13 0.00 2.00 0.00 0.00 34.13 33.18 2cff s GLU 174 CO 0.57 0.04 0.81 1.58 -0.56 0.00 0.00 175.26 177.70 2cff n HIS 175 N 4.02 0.50 -3.12 5.30 -0.00 0.11 -4.88 115.22 117.15 2cff n HIS 175 Ca -0.19 0.66 -0.45 0.00 -0.00 0.00 0.00 57.72 57.74 2cff n HIS 175 Cb 0.52 -2.13 -0.02 0.00 -0.00 0.00 0.00 29.99 28.36 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 -0.78 6.76 0.00 0.26 -1.08 -1.26 -4.87 116.67 115.70 2cff s ASP 176 Ca 0.62 -2.48 0.16 0.00 -0.52 0.00 0.00 52.55 50.33 2cff s ASP 176 Cb -0.65 -2.31 0.71 0.00 -1.46 0.00 0.00 42.92 39.21 2cff s ASP 176 CO 0.58 -0.79 1.51 0.49 0.52 0.00 0.00 175.17 177.48 2cff n PHE 177 N 5.18 0.00 -0.25 -5.34 3.72 -1.26 -2.04 117.46 117.47 2cff n PHE 177 Ca 0.21 0.00 -0.06 0.00 -0.05 0.00 0.00 57.45 57.54 2cff n PHE 177 Cb 0.47 -0.47 0.05 0.00 -0.94 0.00 0.00 39.48 38.59 2cff n PHE 177 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 2cff h SER 178 N 0.00 0.89 -0.01 4.37 0.02 -1.98 -0.64 113.55 116.21 2cff h SER 178 Ca 0.00 -0.14 -0.20 0.00 -0.84 0.00 0.00 61.79 60.62 2cff h SER 178 Cb 0.26 -0.23 0.02 0.00 0.14 0.00 0.00 62.40 62.58 2cff h SER 178 CO 0.00 0.78 -0.76 0.25 -1.14 0.00 0.00 176.83 175.96 2cff h LEU 179 N 0.95 0.70 -1.37 5.07 6.46 -1.83 0.18 115.31 125.46 2cff h LEU 179 Ca 0.23 -0.74 -0.06 0.00 -0.12 0.00 0.00 57.88 57.19 2cff h LEU 179 Cb 0.12 -0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 39.83 2cff h LEU 179 CO -0.03 1.34 -0.30 0.74 -0.62 0.00 0.00 178.44 179.57 2cff h THR 180 N 0.12 1.02 0.18 1.05 2.02 -1.57 0.39 112.91 116.13 2cff h THR 180 Ca -0.09 -1.12 -0.26 0.00 0.77 0.00 0.00 66.41 65.71 2cff h THR 180 Cb 1.45 1.64 0.02 0.00 -1.74 0.00 0.00 68.15 69.52 2cff h THR 180 CO 0.15 0.30 -1.21 0.50 0.37 0.00 0.00 175.52 175.63 2cff h LYS 181 N 0.00 0.38 0.08 6.66 3.64 -1.04 -2.08 116.57 124.20 2cff h LYS 181 Ca -0.00 -0.65 0.00 0.00 -1.27 0.00 0.00 60.65 58.73 2cff h LYS 181 Cb 0.61 0.24 -0.02 0.00 -0.41 0.00 0.00 32.23 32.65 2cff h LYS 181 CO 0.04 1.31 -0.22 -0.22 -2.27 0.00 0.00 179.45 178.09 2cff h LYS 182 N -0.16 -0.32 -0.31 1.90 3.64 -0.41 -2.91 116.57 118.00 2cff h LYS 182 Ca -0.22 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.25 2cff h LYS 182 Cb 1.87 0.07 -0.07 0.00 -0.41 0.00 0.00 32.23 33.69 2cff h LYS 182 CO 0.18 -0.21 -0.19 0.82 -2.27 0.00 0.00 179.45 177.77 2cff h ILE 183 N -0.33 0.46 -0.96 2.00 2.04 -0.32 -0.84 117.51 119.56 2cff h ILE 183 Ca -0.01 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.89 2cff h ILE 183 Cb 0.33 0.46 -0.06 0.00 -0.74 0.00 0.00 36.82 36.81 2cff h ILE 183 CO -0.11 0.00 0.63 0.00 0.00 0.00 0.00 178.15 178.67 2cff h ALA 184 N 1.03 1.27 0.02 1.87 0.00 -1.45 -0.03 119.26 121.96 2cff h ALA 184 Ca 0.16 -0.04 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 2cff h ALA 184 Cb 0.40 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 17.86 2cff h ALA 184 CO -0.40 0.51 -0.11 0.82 0.00 0.00 0.00 179.25 180.07 2cff h ILE 185 N 1.21 1.73 -0.02 0.00 2.04 -1.24 0.41 117.51 121.65 2cff h ILE 185 Ca 0.38 -2.29 -0.09 0.00 1.00 0.00 0.00 64.86 63.86 2cff h ILE 185 Cb -0.01 3.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.34 2cff h ILE 185 CO -0.12 0.60 -0.42 -0.33 0.00 0.00 0.00 178.15 177.88 2cff h GLU 186 N -0.88 0.05 0.00 2.37 5.08 -1.10 -2.85 114.58 117.25 2cff h GLU 186 Ca -0.02 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 2cff h GLU 186 Cb 1.05 -0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.30 2cff h GLU 186 CO 0.02 0.46 -1.39 0.00 -1.00 0.00 0.00 179.01 177.11 2cff n ALA 187 N -2.46 2.92 -3.84 3.43 0.00 -0.03 -5.00 120.51 115.52 2cff n ALA 187 Ca -0.02 -0.39 -0.28 0.00 0.00 0.00 0.00 53.44 52.75 2cff n ALA 187 Cb 0.46 -0.93 0.03 0.00 0.00 0.00 0.00 19.45 19.01 2cff n ALA 187 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2cff n GLU 188 N -2.31 -5.75 -4.15 0.00 1.02 0.13 -4.82 120.64 104.75 2cff n GLU 188 Ca -0.01 0.63 -0.25 0.00 -0.02 0.00 0.00 57.16 57.52 2cff n GLU 188 Cb 0.52 -5.50 -0.06 0.00 -0.02 0.00 0.00 31.44 26.39 2cff n GLU 188 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 2cff s VAL 189 N -3.36 4.14 0.34 2.62 -7.23 -1.18 -5.04 120.40 110.69 2cff s VAL 189 Ca 0.56 -1.38 -0.29 0.00 -1.81 0.00 0.00 61.98 59.06 2cff s VAL 189 Cb -0.27 -3.16 -0.11 0.00 0.56 0.00 0.00 36.38 33.40 2cff s VAL 189 CO 0.82 -0.22 1.46 -0.54 -0.31 0.00 0.00 175.10 176.30 2cff s LYS 190 N -3.36 4.19 -0.01 4.82 1.02 0.38 -4.72 119.74 122.05 2cff s LYS 190 Ca 0.31 2.46 0.03 0.00 0.02 0.00 0.00 55.97 58.78 2cff s LYS 190 Cb -0.09 -3.02 -0.00 0.00 -0.52 0.00 0.00 37.83 34.20 2cff s LYS 190 CO 0.22 -0.46 -0.09 0.08 -0.92 0.00 0.00 175.35 174.18 2cff s VAL 191 N -0.80 0.76 -0.17 3.17 1.01 0.11 -0.50 120.40 123.97 2cff s VAL 191 Ca 0.54 -0.39 0.01 0.00 0.00 0.00 0.00 61.98 62.14 2cff s VAL 191 Cb -0.45 -0.65 0.01 0.00 0.00 0.00 0.00 36.38 35.30 2cff s VAL 191 CO 0.56 0.22 -0.18 -0.76 0.00 0.00 0.00 175.10 174.94 2cff s LEU 192 N -0.07 2.28 0.10 3.92 1.43 -0.51 0.21 118.68 126.04 2cff s LEU 192 Ca 0.01 -0.58 -0.21 0.00 -1.03 0.00 0.00 54.13 52.32 2cff s LEU 192 Cb -0.05 -1.52 -0.07 0.00 0.03 0.00 0.00 46.19 44.58 2cff s LEU 192 CO -0.00 0.02 0.64 0.00 0.23 0.00 0.00 176.35 177.24 2cff s ALA 193 N 1.17 3.54 0.04 4.21 0.00 -1.01 -0.42 121.76 129.27 2cff s ALA 193 Ca 0.02 0.14 -0.03 0.00 0.00 0.00 0.00 51.96 52.08 2cff s ALA 193 Cb -0.14 -2.74 -0.02 0.00 0.00 0.00 0.00 23.12 20.22 2cff s ALA 193 CO -0.08 0.35 0.04 0.00 0.00 0.00 0.00 175.76 176.07 2cff s ALA 194 N -1.07 0.10 0.00 0.00 0.00 0.11 0.17 121.76 121.07 2cff s ALA 194 Ca 0.31 -0.70 0.00 0.00 0.00 0.00 0.00 51.96 51.57 2cff s ALA 194 Cb -0.21 0.23 0.00 0.00 0.00 0.00 0.00 23.12 23.14 2cff s ALA 194 CO 0.21 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 176.09 2cff n GLY 195 N 0.83 -0.35 3.77 0.00 0.00 -1.26 -2.01 105.19 106.18 2cff n GLY 195 Ca -0.19 -1.26 -0.29 0.00 0.00 0.00 0.00 46.02 44.27 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 1.24 -0.49 2.73 -0.02 0.00 -1.18 -4.11 105.19 103.37 2cff n GLY 196 Ca 0.00 0.15 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 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 -4.41 5.56 -0.07 -0.61 2.08 -1.26 0.08 119.36 120.72 2cff n ILE 197 Ca 0.03 -5.49 -0.03 0.00 0.56 0.00 0.00 62.75 57.82 2cff n ILE 197 Cb 0.53 -1.88 -0.16 0.00 -0.75 0.00 0.00 39.64 37.37 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 1.08 0.05 -2.61 4.38 2.88 -1.26 -4.64 113.62 113.49 2cff n SER 198 Ca 0.43 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.84 2cff n SER 198 Cb 0.29 1.34 -0.04 0.00 -0.75 0.00 0.00 64.21 65.05 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 -2.57 0.32 -0.01 -3.46 3.41 -1.26 -4.80 113.62 105.25 2cff n SER 199 Ca -0.23 -2.30 0.00 0.00 -0.26 0.00 0.00 58.87 56.08 2cff n SER 199 Cb 0.95 0.81 0.30 0.00 -0.26 0.00 0.00 64.21 66.01 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 0.56 -0.57 4.33 5.08 -1.96 -2.98 114.58 119.04 2cff h GLU 200 Ca -0.16 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.14 2cff h GLU 200 Cb 0.72 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.84 2cff h GLU 200 CO 0.25 0.55 0.30 -0.91 -1.00 0.00 0.00 179.01 178.20 2cff h ASN 201 N 0.54 0.44 -0.63 1.42 4.21 -1.99 0.12 115.58 119.68 2cff h ASN 201 Ca 0.12 0.03 0.07 0.00 1.21 0.00 0.00 56.30 57.72 2cff h ASN 201 Cb 0.29 -0.05 -0.04 0.00 -1.12 0.00 0.00 38.32 37.39 2cff h ASN 201 CO 0.00 0.29 0.42 0.28 -1.29 0.00 0.00 177.43 177.14 2cff h SER 202 N 0.57 0.54 1.61 5.81 0.02 -1.86 -0.82 113.55 119.43 2cff h SER 202 Ca 0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.21 2cff h SER 202 Cb 0.15 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.58 2cff h SER 202 CO -0.17 0.35 -0.10 -0.07 -1.14 0.00 0.00 176.83 175.70 2cff h LEU 203 N 0.61 0.00 0.10 5.07 3.38 -0.87 -2.58 115.31 121.02 2cff h LEU 203 Ca 0.27 -0.02 -0.14 0.00 0.09 0.00 0.00 57.88 58.09 2cff h LEU 203 Cb 0.30 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.06 2cff h LEU 203 CO -0.08 0.01 -0.62 0.11 0.09 0.00 0.00 178.44 177.95 2cff h LYS 204 N 0.00 0.21 -0.73 1.13 1.57 0.42 -2.94 116.57 116.23 2cff h LYS 204 Ca 0.00 -0.36 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 2cff h LYS 204 Cb 0.86 0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.27 2cff h LYS 204 CO 0.00 1.17 0.22 1.15 -0.57 0.00 0.00 179.45 181.42 2cff h THR 205 N -0.55 1.26 0.71 -0.16 2.02 -1.26 0.18 112.91 115.10 2cff h THR 205 Ca -0.11 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.12 2cff h THR 205 Cb 1.46 0.47 0.01 0.00 -1.74 0.00 0.00 68.15 68.35 2cff h THR 205 CO 0.10 0.36 -0.34 0.00 0.37 0.00 0.00 175.52 176.01 2cff h ALA 206 N 1.15 -0.95 -1.03 6.16 0.00 -1.61 0.38 119.26 123.36 2cff h ALA 206 Ca 0.23 -0.22 0.27 0.00 0.00 0.00 0.00 54.91 55.19 2cff h ALA 206 Cb 0.31 0.37 -0.12 0.00 0.00 0.00 0.00 17.79 18.35 2cff h ALA 206 CO -0.01 -0.99 0.62 0.37 0.00 0.00 0.00 179.25 179.25 2cff h GLN 207 N -1.05 0.47 -0.26 0.00 5.75 -1.26 1.26 115.11 120.01 2cff h GLN 207 Ca -0.10 -0.03 -0.05 0.00 -0.15 0.00 0.00 58.65 58.32 2cff h GLN 207 Cb 0.75 -0.11 -0.01 0.00 1.07 0.00 0.00 27.48 29.19 2cff h GLN 207 CO 0.16 0.31 -0.04 -0.22 -2.65 0.00 0.00 178.83 176.39 2cff h LYS 208 N 0.48 0.49 0.00 1.69 3.64 -0.27 -2.81 116.57 119.80 2cff h LYS 208 Ca 0.65 -0.18 -0.10 0.00 -1.27 0.00 0.00 60.65 59.75 2cff h LYS 208 Cb 1.41 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.18 2cff h LYS 208 CO -0.44 0.69 -0.48 0.28 -2.27 0.00 0.00 179.45 177.23 2cff h VAL 209 N 0.25 1.11 -0.76 2.00 2.07 0.44 -0.60 116.25 120.77 2cff h VAL 209 Ca 0.07 -1.78 -0.05 0.00 0.82 0.00 0.00 66.70 65.75 2cff h VAL 209 Cb 0.49 2.03 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2cff h VAL 209 CO 0.02 0.47 0.27 -0.74 0.02 0.00 0.00 177.57 177.61 2cff h HIS 210 N 0.00 1.18 0.56 1.57 -0.00 0.13 0.26 115.15 118.86 2cff h HIS 210 Ca -0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 60.37 60.23 2cff h HIS 210 Cb 0.99 -0.35 0.01 0.00 -0.00 0.00 0.00 27.41 28.06 2cff h HIS 210 CO 0.00 0.92 -0.27 1.15 -0.00 0.00 0.00 177.93 179.73 2cff h THR 211 N 1.11 0.17 -0.74 6.26 2.02 -1.19 0.89 112.91 121.42 2cff h THR 211 Ca 0.25 -0.43 0.10 0.00 0.77 0.00 0.00 66.41 67.10 2cff h THR 211 Cb 0.26 0.24 -0.08 0.00 -1.74 0.00 0.00 68.15 66.84 2cff h THR 211 CO -0.01 0.03 0.36 -0.33 0.37 0.00 0.00 175.52 175.94 2cff h GLU 212 N -1.12 0.58 -0.07 6.66 5.08 -1.08 -0.01 114.58 124.62 2cff h GLU 212 Ca -0.08 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2cff h GLU 212 Cb 0.63 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.75 2cff h GLU 212 CO 0.13 0.38 0.00 0.25 -1.00 0.00 0.00 179.01 178.77 2cff n THR 213 N -4.87 0.09 -2.83 1.13 -2.24 0.07 -4.91 114.28 100.72 2cff n THR 213 Ca 0.12 -0.11 -0.18 0.00 -2.27 0.00 0.00 64.05 61.61 2cff n THR 213 Cb 0.31 -0.04 0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2cff n THR 213 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 2cff n ASN 214 N -0.38 -4.47 0.00 3.42 5.15 -0.02 -2.07 115.26 116.89 2cff n ASN 214 Ca 0.10 -0.09 0.00 0.00 -0.60 0.00 0.00 54.58 53.99 2cff n ASN 214 Cb 0.12 -3.72 0.00 0.00 -0.53 0.00 0.00 39.78 35.65 2cff n ASN 214 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2cff n GLY 215 N -1.07 0.67 0.35 8.20 0.00 0.27 -4.91 105.19 108.70 2cff n GLY 215 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 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 0.29 -8.16 0.99 3.38 -1.68 -3.13 115.31 107.00 2cff h LEU 216 Ca 0.00 0.01 -0.61 0.00 0.09 0.00 0.00 57.88 57.37 2cff h LEU 216 Cb 0.00 -0.05 -0.12 0.00 0.09 0.00 0.00 40.66 40.58 2cff h LEU 216 CO 0.00 0.17 1.10 -0.22 0.09 0.00 0.00 178.44 179.58 2cff s LEU 217 N -9.23 3.91 0.23 1.67 2.96 -1.26 0.09 118.68 117.04 2cff s LEU 217 Ca -0.07 -1.28 -0.08 0.00 -0.22 0.00 0.00 54.13 52.48 2cff s LEU 217 Cb 0.20 -2.51 0.37 0.00 0.50 0.00 0.00 46.19 44.75 2cff s LEU 217 CO 0.74 -1.48 1.67 0.11 -1.32 0.00 0.00 176.35 176.08 2cff h LYS 218 N 9.60 0.16 0.00 1.98 1.57 -0.18 -3.43 116.57 126.28 2cff h LYS 218 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2cff h LYS 218 Cb 1.03 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.31 2cff h LYS 218 CO 1.28 0.11 0.00 0.41 -0.57 0.00 0.00 179.45 180.68 2cff n GLY 219 N -1.37 -0.70 3.10 3.86 0.00 -1.20 -1.17 105.19 107.70 2cff n GLY 219 Ca 0.11 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.62 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 -3.95 0.22 -0.08 1.61 -7.23 0.05 -2.42 120.40 108.60 2cff s VAL 220 Ca 0.00 -1.78 0.03 0.00 -1.81 0.00 0.00 61.98 58.41 2cff s VAL 220 Cb 0.00 -1.52 -0.02 0.00 0.56 0.00 0.00 36.38 35.40 2cff s VAL 220 CO 0.00 -0.98 -0.15 -0.63 -0.31 0.00 0.00 175.10 173.03 2cff s ILE 221 N -3.92 2.92 -0.17 -0.62 1.01 0.13 -1.08 121.20 119.47 2cff s ILE 221 Ca 0.07 -0.75 0.00 0.00 0.00 0.00 0.00 60.65 59.98 2cff s ILE 221 Cb 0.08 -2.17 0.03 0.00 0.01 0.00 0.00 42.46 40.42 2cff s ILE 221 CO -0.10 0.56 -0.10 -0.69 0.00 0.00 0.00 174.94 174.61 2cff s VAL 222 N -0.24 1.47 0.00 2.92 1.01 0.23 -4.53 120.40 121.25 2cff s VAL 222 Ca 0.01 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.24 2cff s VAL 222 Cb -0.13 -1.50 0.00 0.00 0.00 0.00 0.00 36.38 34.75 2cff s VAL 222 CO 0.03 0.27 0.00 0.61 0.00 0.00 0.00 175.10 176.01 2cff n GLY 223 N 4.77 0.28 0.33 4.51 0.00 -1.26 -0.96 105.19 112.86 2cff n GLY 223 Ca -0.15 0.00 0.24 0.00 0.00 0.00 0.00 46.02 46.11 2cff n GLY 223 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2cff n ARG 224 N 0.00 -0.07 0.13 1.61 0.63 -1.26 -1.22 116.66 116.48 2cff n ARG 224 Ca 0.00 1.40 0.03 0.00 -0.92 0.00 0.00 57.85 58.36 2cff n ARG 224 Cb 0.00 -2.39 0.42 0.00 0.45 0.00 0.00 32.46 30.94 2cff n ARG 224 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2cff h ALA 225 N 1.96 1.56 0.09 5.13 0.00 -1.88 0.72 119.26 126.85 2cff h ALA 225 Ca 0.73 -0.18 -0.36 0.00 0.00 0.00 0.00 54.91 55.10 2cff h ALA 225 Cb 1.78 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 19.46 2cff h ALA 225 CO -0.83 0.32 -2.01 1.97 0.00 0.00 0.00 179.25 178.70 2cff n PHE 226 N -4.30 1.08 0.04 0.00 1.16 -0.36 -0.46 117.46 114.62 2cff n PHE 226 Ca -0.01 0.25 -0.11 0.00 -1.87 0.00 0.00 57.45 55.71 2cff n PHE 226 Cb 0.25 -1.15 -0.04 0.00 -1.61 0.00 0.00 39.48 36.92 2cff n PHE 226 CO 0.00 0.00 0.00 -0.07 -1.87 0.00 0.00 176.76 174.82 2cff h LEU 227 N 0.05 -0.85 -0.34 5.98 3.38 -1.13 -2.73 115.31 119.68 2cff h LEU 227 Ca -0.42 0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2cff h LEU 227 Cb 2.02 0.35 0.00 0.00 0.09 0.00 0.00 40.66 43.13 2cff h LEU 227 CO 0.07 -0.34 0.00 -0.62 0.09 0.00 0.00 178.44 177.64 2cff n GLU 228 N -5.39 1.21 -2.53 1.13 1.02 0.22 -4.89 120.64 111.42 2cff n GLU 228 Ca -0.04 -0.33 -0.04 0.00 -0.02 0.00 0.00 57.16 56.73 2cff n GLU 228 Cb 0.30 -1.12 0.01 0.00 -0.02 0.00 0.00 31.44 30.62 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 0.69 0.56 0.37 0.62 0.00 -1.03 -4.95 105.19 101.45 2cff n GLY 229 Ca 0.05 -0.47 -0.07 0.00 0.00 0.00 0.00 46.02 45.54 2cff n GLY 229 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2cff n ILE 230 N -2.43 0.42 -3.62 -0.61 5.41 0.31 -4.75 119.36 114.09 2cff n ILE 230 Ca -0.02 -0.14 -0.39 0.00 1.00 0.00 0.00 62.75 63.21 2cff n ILE 230 Cb 0.52 -1.15 -0.08 0.00 -0.71 0.00 0.00 39.64 38.22 2cff n ILE 230 CO 0.00 0.00 0.00 -0.76 0.00 0.00 0.00 176.55 175.79 2cff s LEU 231 N -5.89 5.60 1.09 1.39 1.43 0.39 -4.94 118.68 117.75 2cff s LEU 231 Ca -0.10 -2.84 -0.12 0.00 -1.03 0.00 0.00 54.13 50.03 2cff s LEU 231 Cb 0.03 -1.94 0.24 0.00 0.03 0.00 0.00 46.19 44.56 2cff s LEU 231 CO 0.15 -0.41 1.06 0.42 0.23 0.00 0.00 176.35 177.80 2cff s THR 232 N -0.05 2.08 0.15 5.49 -4.23 -1.26 -4.23 115.64 113.59 2cff s THR 232 Ca 0.17 0.03 -0.14 0.00 -1.18 0.00 0.00 61.69 60.57 2cff s THR 232 Cb -0.18 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.47 2cff s THR 232 CO -0.05 -0.04 1.68 -0.37 -0.54 0.00 0.00 174.62 175.30 2cff h VAL 233 N -2.33 1.22 -0.89 2.29 -1.51 -1.98 0.57 116.25 113.62 2cff h VAL 233 Ca -0.58 -0.74 0.01 0.00 -1.23 0.00 0.00 66.70 64.16 2cff h VAL 233 Cb 1.32 0.80 -0.04 0.00 -2.13 0.00 0.00 31.29 31.24 2cff h VAL 233 CO 0.52 0.27 0.58 1.05 -1.23 0.00 0.00 177.57 178.75 2cff h GLU 234 N 0.64 1.18 0.20 5.19 4.11 -1.98 0.53 114.58 124.45 2cff h GLU 234 Ca 0.16 -0.08 -0.01 0.00 0.07 0.00 0.00 59.36 59.50 2cff h GLU 234 Cb 0.26 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2cff h GLU 234 CO -0.01 0.79 -0.09 0.28 0.07 0.00 0.00 179.01 180.05 2cff h VAL 235 N 1.21 0.88 -0.90 -1.06 2.07 -1.85 -1.26 116.25 115.34 2cff h VAL 235 Ca 0.32 -0.39 0.12 0.00 0.82 0.00 0.00 66.70 67.58 2cff h VAL 235 Cb -0.12 1.11 -0.07 0.00 -1.52 0.00 0.00 31.29 30.69 2cff h VAL 235 CO -0.07 0.09 0.58 0.24 0.02 0.00 0.00 177.57 178.43 2cff h MET 236 N -0.46 0.76 0.00 1.57 2.86 -0.65 -2.51 114.93 116.51 2cff h MET 236 Ca -0.03 -0.05 -0.17 0.00 -2.06 0.00 0.00 59.70 57.40 2cff h MET 236 Cb 0.35 -0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.81 2cff h MET 236 CO 0.04 0.50 -0.86 0.87 1.06 0.00 0.00 176.91 178.53 2cff h LYS 237 N 0.78 0.00 0.00 1.72 1.57 -0.83 -2.96 116.57 116.85 2cff h LYS 237 Ca 0.44 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 59.21 2cff h LYS 237 Cb 0.58 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.89 2cff h LYS 237 CO -0.20 0.74 -0.05 -0.09 -0.57 0.00 0.00 179.45 179.28 2cff h ARG 238 N 0.00 0.00 0.00 3.15 2.43 -0.76 -2.82 114.38 116.38 2cff h ARG 238 Ca -0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2cff h ARG 238 Cb 1.62 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.17 2cff h ARG 238 CO 0.10 0.05 -1.71 0.66 -1.51 0.00 0.00 179.97 177.56 2cff n TYR 239 N -4.15 0.08 -0.19 2.20 4.02 -1.17 -4.19 117.16 113.76 2cff n TYR 239 Ca -0.03 0.02 -0.04 0.00 -0.01 0.00 0.00 57.90 57.84 2cff n TYR 239 Cb 0.13 -0.45 0.13 0.00 -0.02 0.00 0.00 39.34 39.14 2cff n TYR 239 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2cff h ALA 240 N 2.20 1.12 0.00 -0.72 0.00 -1.33 -3.43 119.26 117.09 2cff h ALA 240 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.69 2cff h ALA 240 Cb 0.90 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2cff h ALA 240 CO 0.00 0.60 0.00 0.54 0.00 0.00 0.00 179.25 180.39