#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ls3 h HIS -7 N 0.00 1.08 -3.35 4.41 6.17 -2.00 -3.42 115.15 118.04 3ls3 h HIS -7 Ca 0.00 0.03 -0.61 0.00 0.71 0.00 0.00 60.37 60.50 3ls3 h HIS -7 Cb 0.00 -0.36 -0.14 0.00 2.52 0.00 0.00 27.41 29.44 3ls3 h HIS -7 CO 0.00 0.61 -0.51 -1.01 0.71 0.00 0.00 177.93 177.73 3ls3 s HIS -6 N -6.09 3.35 0.18 5.26 4.02 -1.26 -4.99 115.29 115.75 3ls3 s HIS -6 Ca -0.13 0.23 0.29 0.00 1.02 0.00 0.00 55.06 56.48 3ls3 s HIS -6 Cb 0.18 -2.17 1.23 0.00 -1.02 0.00 0.00 32.58 30.80 3ls3 s HIS -6 CO 0.80 0.19 1.94 1.12 1.02 0.00 0.00 174.74 179.82 3ls3 h HIS -5 N 6.90 0.00 0.00 1.40 2.07 -2.01 -2.74 115.15 120.77 3ls3 h HIS -5 Ca -0.39 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.13 3ls3 h HIS -5 Cb 1.16 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.14 3ls3 h HIS -5 CO 0.60 0.11 0.19 1.12 -3.07 0.00 0.00 177.93 176.88 3ls3 h HIS -4 N 0.00 0.00 -0.17 6.12 -0.00 -1.94 0.12 115.15 119.29 3ls3 h HIS -4 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 60.37 60.16 3ls3 h HIS -4 Cb 0.57 0.00 0.01 0.00 -0.00 0.00 0.00 27.41 27.99 3ls3 h HIS -4 CO 0.00 0.00 -0.74 0.45 -0.00 0.00 0.00 177.93 177.64 3ls3 h HIS -3 N 0.00 1.01 0.00 6.12 3.86 -1.86 -3.42 115.15 120.86 3ls3 h HIS -3 Ca 0.00 -0.43 0.00 0.00 -1.16 0.00 0.00 60.37 58.78 3ls3 h HIS -3 Cb 0.38 -0.16 0.00 0.00 1.06 0.00 0.00 27.41 28.69 3ls3 h HIS -3 CO 0.00 1.26 -0.47 0.25 0.86 0.00 0.00 177.93 179.82 3ls3 n THR -2 N -3.93 0.00 -1.68 2.45 -2.24 -0.52 -5.03 114.28 103.32 3ls3 n THR -2 Ca -0.07 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.05 3ls3 n THR -2 Cb 0.72 0.71 -0.04 0.00 -2.10 0.00 0.00 70.33 69.63 3ls3 n THR -2 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 3ls3 n ASP -1 N -1.15 3.76 -0.23 3.42 2.03 0.31 -4.88 116.55 119.82 3ls3 n ASP -1 Ca 0.00 0.98 0.12 0.00 0.52 0.00 0.00 54.79 56.42 3ls3 n ASP -1 Cb 0.00 -1.48 0.41 0.00 -0.72 0.00 0.00 41.12 39.33 3ls3 n ASP -1 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 3ls3 h PRO 0 N 8.71 0.60 -0.48 -0.67 0.11 -1.96 -0.71 132.00 137.61 3ls3 h PRO 0 Ca -0.47 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.60 3ls3 h PRO 0 Cb 1.24 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3ls3 h PRO 0 CO 0.94 0.40 0.00 -1.33 -0.21 0.00 0.00 178.00 177.80 3ls3 n MET 1 N -4.53 2.12 -1.75 1.05 2.81 -1.26 -4.95 117.12 110.61 3ls3 n MET 1 Ca 0.16 -1.38 -0.42 0.00 -1.81 0.00 0.00 57.70 54.25 3ls3 n MET 1 Cb 0.47 -1.44 -0.01 0.00 -0.71 0.00 0.00 33.22 31.53 3ls3 n MET 1 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 3ls3 n SER 2 N 0.51 3.70 -0.21 7.83 2.88 -0.28 -4.89 113.62 123.16 3ls3 n SER 2 Ca 0.13 1.18 0.13 0.00 -1.33 0.00 0.00 58.87 58.98 3ls3 n SER 2 Cb 0.41 -1.59 0.41 0.00 -0.75 0.00 0.00 64.21 62.69 3ls3 n SER 2 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 3ls3 n VAL 3 N 1.35 0.00 -3.11 2.46 0.24 -1.26 -4.70 118.33 113.31 3ls3 n VAL 3 Ca 0.06 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.34 61.81 3ls3 n VAL 3 Cb 0.37 0.31 -0.07 0.00 -1.47 0.00 0.00 33.84 32.99 3ls3 n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3ls3 s ILE 4 N -2.53 4.82 0.19 1.34 -1.09 -1.26 -4.96 121.20 117.71 3ls3 s ILE 4 Ca 0.24 -0.03 0.04 0.00 -2.23 0.00 0.00 60.65 58.67 3ls3 s ILE 4 Cb 0.19 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.80 3ls3 s ILE 4 CO 0.52 -0.66 0.29 -0.54 -1.23 0.00 0.00 174.94 173.32 3ls3 s LYS 5 N 2.82 3.36 0.48 2.79 -0.14 -1.26 -4.98 119.74 122.81 3ls3 s LYS 5 Ca 0.21 -0.70 0.20 0.00 -1.36 0.00 0.00 55.97 54.32 3ls3 s LYS 5 Cb -0.15 -2.89 1.22 0.00 -1.68 0.00 0.00 37.83 34.33 3ls3 s LYS 5 CO 0.17 0.48 2.04 -1.35 -0.76 0.00 0.00 175.35 175.93 3ls3 h PRO 6 N 1.82 0.00 -4.84 -1.68 0.11 -1.96 -3.40 132.00 122.04 3ls3 h PRO 6 Ca -0.50 0.00 -0.61 0.00 0.11 0.00 0.00 66.00 65.01 3ls3 h PRO 6 Cb 1.21 0.00 -0.35 0.00 0.11 0.00 0.00 31.00 31.97 3ls3 h PRO 6 CO 0.65 0.15 -0.84 -0.51 -0.21 0.00 0.00 178.00 177.24 3ls3 s ASP 7 N -6.63 2.62 0.11 -2.05 1.01 -1.26 -3.97 116.67 106.49 3ls3 s ASP 7 Ca -0.04 -0.47 0.02 0.00 0.71 0.00 0.00 52.55 52.77 3ls3 s ASP 7 Cb 0.15 -1.18 -0.04 0.00 1.01 0.00 0.00 42.92 42.85 3ls3 s ASP 7 CO 0.65 0.02 -0.06 -0.04 0.21 0.00 0.00 175.17 175.95 3ls3 s MET 8 N 1.00 0.86 0.43 8.23 -1.94 -0.36 -4.99 119.30 122.52 3ls3 s MET 8 Ca -0.05 -1.35 0.07 0.00 -1.71 0.00 0.00 55.69 52.64 3ls3 s MET 8 Cb -0.15 -0.21 -0.03 0.00 2.01 0.00 0.00 34.83 36.45 3ls3 s MET 8 CO -0.03 -0.03 0.26 0.15 -0.01 0.00 0.00 175.02 175.36 3ls3 s LYS 9 N -3.84 2.32 -0.02 2.03 1.02 -0.03 -0.49 119.74 120.73 3ls3 s LYS 9 Ca 0.13 -1.78 -0.01 0.00 0.02 0.00 0.00 55.97 54.33 3ls3 s LYS 9 Cb 0.05 -2.11 0.01 0.00 -0.52 0.00 0.00 37.83 35.27 3ls3 s LYS 9 CO -0.04 -0.19 0.05 0.42 -0.92 0.00 0.00 175.35 174.66 3ls3 s ILE 10 N -2.58 -0.01 -0.03 2.17 1.01 -0.21 -0.94 121.20 120.61 3ls3 s ILE 10 Ca 0.42 0.04 0.02 0.00 0.00 0.00 0.00 60.65 61.12 3ls3 s ILE 10 Cb 0.01 -0.08 0.01 0.00 0.01 0.00 0.00 42.46 42.41 3ls3 s ILE 10 CO 0.24 0.02 -0.06 -0.54 0.00 0.00 0.00 174.94 174.59 3ls3 s LYS 11 N 0.22 0.75 0.03 2.79 1.02 -0.07 -0.71 119.74 123.77 3ls3 s LYS 11 Ca -0.02 -0.20 -0.08 0.00 0.02 0.00 0.00 55.97 55.69 3ls3 s LYS 11 Cb -0.02 -0.73 0.00 0.00 -0.52 0.00 0.00 37.83 36.55 3ls3 s LYS 11 CO -0.01 0.05 0.16 -0.48 -0.92 0.00 0.00 175.35 174.16 3ls3 s LEU 12 N 0.34 1.49 -0.04 3.17 0.05 -0.55 -1.00 118.68 122.15 3ls3 s LEU 12 Ca -0.05 -0.35 0.01 0.00 0.05 0.00 0.00 54.13 53.79 3ls3 s LEU 12 Cb -0.09 0.82 0.02 0.00 -2.05 0.00 0.00 46.19 44.90 3ls3 s LEU 12 CO 0.00 -0.50 -0.03 -0.60 -0.55 0.00 0.00 176.35 174.67 3ls3 s ARG 13 N -2.26 0.61 -0.17 1.48 3.52 -0.80 -1.23 118.95 120.10 3ls3 s ARG 13 Ca -0.08 -0.04 -0.03 0.00 -0.13 0.00 0.00 55.73 55.45 3ls3 s ARG 13 Cb -0.03 -0.68 -0.02 0.00 -1.56 0.00 0.00 34.95 32.67 3ls3 s ARG 13 CO -0.02 -0.09 -0.06 1.41 -0.81 0.00 0.00 175.30 175.73 3ls3 s MET 14 N 0.89 3.54 -0.05 5.12 -2.45 0.47 -1.18 119.30 125.65 3ls3 s MET 14 Ca -0.11 -0.58 0.02 0.00 -1.25 0.00 0.00 55.69 53.78 3ls3 s MET 14 Cb -0.14 -2.89 -0.03 0.00 1.25 0.00 0.00 34.83 33.03 3ls3 s MET 14 CO -0.00 0.12 -0.10 -1.21 1.05 0.00 0.00 175.02 174.87 3ls3 s GLU 15 N 0.67 2.62 0.00 4.11 2.02 -0.62 -1.05 118.70 126.44 3ls3 s GLU 15 Ca -0.03 -0.63 0.00 0.00 0.02 0.00 0.00 54.97 54.32 3ls3 s GLU 15 Cb -0.15 -2.49 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3ls3 s GLU 15 CO 0.02 0.64 0.00 0.41 0.02 0.00 0.00 175.26 176.35 3ls3 n GLY 16 N 2.14 1.53 3.48 -1.39 0.00 -0.57 -1.56 105.19 108.81 3ls3 n GLY 16 Ca -0.17 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.76 3ls3 n GLY 16 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3ls3 s ALA 17 N -1.00 -1.52 -0.09 4.61 0.00 -0.37 -1.33 121.76 122.05 3ls3 s ALA 17 Ca 0.00 1.34 0.01 0.00 0.00 0.00 0.00 51.96 53.31 3ls3 s ALA 17 Cb 0.00 -0.41 0.02 0.00 0.00 0.00 0.00 23.12 22.73 3ls3 s ALA 17 CO 0.00 -0.32 -0.11 0.08 0.00 0.00 0.00 175.76 175.41 3ls3 s VAL 18 N -0.58 1.17 -1.59 0.00 1.01 -0.85 -0.96 120.40 118.60 3ls3 s VAL 18 Ca -0.07 -0.44 -0.16 0.00 0.00 0.00 0.00 61.98 61.31 3ls3 s VAL 18 Cb -0.03 -1.12 0.14 0.00 0.00 0.00 0.00 36.38 35.37 3ls3 s VAL 18 CO 0.05 0.38 0.76 0.59 0.00 0.00 0.00 175.10 176.88 3ls3 n ASN 19 N 4.35 -3.59 0.00 3.32 4.13 0.45 -1.00 115.26 122.91 3ls3 n ASN 19 Ca -0.18 -0.85 0.00 0.00 1.68 0.00 0.00 54.58 55.22 3ls3 n ASN 19 Cb 0.51 -2.93 0.00 0.00 -1.54 0.00 0.00 39.78 35.81 3ls3 n ASN 19 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ls3 n GLY 20 N -1.38 1.13 3.52 7.41 0.00 -1.26 -5.02 105.19 109.60 3ls3 n GLY 20 Ca 0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.65 3ls3 n GLY 20 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 3ls3 s HIS 21 N -3.64 3.03 0.51 1.61 5.04 -0.17 -5.03 115.29 116.64 3ls3 s HIS 21 Ca 0.00 -0.01 -0.18 0.00 -1.54 0.00 0.00 55.06 53.33 3ls3 s HIS 21 Cb 0.00 -3.47 -0.08 0.00 0.04 0.00 0.00 32.58 29.07 3ls3 s HIS 21 CO 0.00 -0.93 1.01 -1.25 -2.34 0.00 0.00 174.74 171.23 3ls3 s PRO 22 N 2.99 3.82 0.22 2.88 0.04 -1.26 -2.01 135.00 141.67 3ls3 s PRO 22 Ca 0.25 1.12 -0.18 0.00 0.04 0.00 0.00 61.00 62.23 3ls3 s PRO 22 Cb -0.14 -2.11 0.02 0.00 0.04 0.00 0.00 34.50 32.31 3ls3 s PRO 22 CO 0.20 -0.39 0.55 -0.59 0.04 0.00 0.00 177.00 176.82 3ls3 s PHE 23 N -2.38 -0.07 -0.04 0.56 -0.12 -0.44 -4.32 117.98 111.17 3ls3 s PHE 23 Ca 0.62 -0.30 -0.06 0.00 -0.05 0.00 0.00 56.93 57.15 3ls3 s PHE 23 Cb -0.12 0.42 0.01 0.00 -0.63 0.00 0.00 43.02 42.70 3ls3 s PHE 23 CO 0.27 -0.99 0.15 0.00 -0.05 0.00 0.00 175.22 174.60 3ls3 s ALA 24 N -3.90 -0.36 -0.01 1.99 0.00 -0.61 -1.50 121.76 117.36 3ls3 s ALA 24 Ca 0.11 0.24 0.02 0.00 0.00 0.00 0.00 51.96 52.33 3ls3 s ALA 24 Cb -0.02 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.97 3ls3 s ALA 24 CO 0.01 -0.12 -0.06 0.42 0.00 0.00 0.00 175.76 176.01 3ls3 s ILE 25 N -0.42 0.51 0.11 0.00 1.01 -0.22 -0.53 121.20 121.66 3ls3 s ILE 25 Ca -0.05 -0.24 0.09 0.00 0.00 0.00 0.00 60.65 60.45 3ls3 s ILE 25 Cb -0.03 -0.46 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 3ls3 s ILE 25 CO 0.01 0.16 -0.18 -1.61 0.00 0.00 0.00 174.94 173.32 3ls3 s GLU 26 N 0.09 1.80 0.03 2.79 2.02 -0.39 -0.39 118.70 124.64 3ls3 s GLU 26 Ca -0.01 -1.17 -0.00 0.00 0.02 0.00 0.00 54.97 53.81 3ls3 s GLU 26 Cb -0.05 -2.11 -0.02 0.00 0.10 0.00 0.00 34.13 32.04 3ls3 s GLU 26 CO -0.00 0.48 -0.03 0.20 0.02 0.00 0.00 175.26 175.94 3ls3 s GLY 27 N -2.07 0.29 -0.02 -1.39 0.00 -0.37 -0.31 107.32 103.45 3ls3 s GLY 27 Ca 0.17 -0.73 0.03 0.00 0.00 0.00 0.00 44.72 44.19 3ls3 s GLY 27 CO 0.10 -0.81 -0.09 0.14 0.00 0.00 0.00 173.10 172.43 3ls3 s VAL 28 N -2.04 0.77 0.36 1.40 1.01 -0.43 -1.47 120.40 120.00 3ls3 s VAL 28 Ca -0.11 -0.39 -0.06 0.00 0.00 0.00 0.00 61.98 61.42 3ls3 s VAL 28 Cb -0.06 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.68 3ls3 s VAL 28 CO -0.03 0.23 0.57 -0.83 0.00 0.00 0.00 175.10 175.04 3ls3 s GLY 29 N -0.03 1.16 0.06 4.51 0.00 0.11 -0.47 107.32 112.65 3ls3 s GLY 29 Ca 0.01 -1.29 -0.08 0.00 0.00 0.00 0.00 44.72 43.36 3ls3 s GLY 29 CO -0.00 -0.79 0.17 0.48 0.00 0.00 0.00 173.10 172.96 3ls3 s LEU 30 N -3.19 1.48 0.29 0.66 0.05 -0.17 -1.04 118.68 116.76 3ls3 s LEU 30 Ca 0.26 -0.53 -0.21 0.00 0.05 0.00 0.00 54.13 53.70 3ls3 s LEU 30 Cb -0.02 0.93 0.02 0.00 -2.05 0.00 0.00 46.19 45.07 3ls3 s LEU 30 CO 0.18 -0.63 0.73 -0.83 -0.55 0.00 0.00 176.35 175.25 3ls3 s GLY 31 N -2.46 -0.04 -0.39 -3.48 0.00 0.36 -0.97 107.32 100.33 3ls3 s GLY 31 Ca -0.00 -0.35 0.03 0.00 0.00 0.00 0.00 44.72 44.40 3ls3 s GLY 31 CO -0.07 -0.11 0.13 0.54 0.00 0.00 0.00 173.10 173.59 3ls3 s LYS 32 N -3.73 1.42 0.30 2.90 1.02 0.98 -1.23 119.74 121.39 3ls3 s LYS 32 Ca 0.12 -1.91 -0.00 0.00 0.02 0.00 0.00 55.97 54.20 3ls3 s LYS 32 Cb -0.06 -2.88 0.50 0.00 -0.52 0.00 0.00 37.83 34.88 3ls3 s LYS 32 CO 0.07 -1.02 1.92 -1.35 -0.92 0.00 0.00 175.35 174.06 3ls3 h PRO 33 N 7.33 1.03 0.00 -1.68 0.11 -1.78 -0.64 132.00 136.37 3ls3 h PRO 33 Ca -0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3ls3 h PRO 33 Cb 0.98 -0.23 -0.01 0.00 0.11 0.00 0.00 31.00 31.85 3ls3 h PRO 33 CO 0.54 0.68 -0.18 0.74 -0.21 0.00 0.00 178.00 179.58 3ls3 h PHE 34 N 1.06 0.00 0.00 0.65 -1.00 -1.83 -3.08 116.94 112.73 3ls3 h PHE 34 Ca 0.37 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.15 3ls3 h PHE 34 Cb 0.13 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.69 3ls3 h PHE 34 CO -0.00 0.18 -0.79 0.39 -1.61 0.00 0.00 178.31 176.47 3ls3 n GLU 35 N -3.16 0.29 -3.01 1.51 -0.58 -0.82 -4.47 120.64 110.40 3ls3 n GLU 35 Ca 0.03 0.05 -0.12 0.00 -0.42 0.00 0.00 57.16 56.70 3ls3 n GLU 35 Cb 0.57 -1.65 0.04 0.00 -0.57 0.00 0.00 31.44 29.83 3ls3 n GLU 35 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ls3 n GLY 36 N 1.35 0.15 3.05 0.62 0.00 -0.31 -4.48 105.19 105.56 3ls3 n GLY 36 Ca 0.03 -0.19 -0.20 0.00 0.00 0.00 0.00 46.02 45.66 3ls3 n GLY 36 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ls3 s LYS 37 N -5.50 0.90 0.08 1.61 1.02 -1.09 -0.54 119.74 116.22 3ls3 s LYS 37 Ca 0.25 -0.39 -0.10 0.00 0.02 0.00 0.00 55.97 55.75 3ls3 s LYS 37 Cb -0.11 -0.86 0.01 0.00 -0.52 0.00 0.00 37.83 36.34 3ls3 s LYS 37 CO 0.38 0.23 0.23 1.14 -0.92 0.00 0.00 175.35 176.41 3ls3 s GLN 38 N -0.23 0.84 0.00 1.68 -2.07 -0.49 -0.01 119.66 119.38 3ls3 s GLN 38 Ca 0.04 -0.82 0.01 0.00 -1.82 0.00 0.00 55.36 52.77 3ls3 s GLN 38 Cb -0.04 0.35 -0.00 0.00 -1.09 0.00 0.00 33.01 32.22 3ls3 s GLN 38 CO -0.00 -0.27 -0.03 0.45 -1.32 0.00 0.00 175.29 174.12 3ls3 s SER 39 N -2.63 0.30 0.05 12.60 0.15 -0.14 -1.56 113.70 122.47 3ls3 s SER 39 Ca 0.02 -0.12 -0.07 0.00 0.70 0.00 0.00 55.95 56.48 3ls3 s SER 39 Cb 0.03 -0.01 -0.01 0.00 -1.71 0.00 0.00 66.02 64.32 3ls3 s SER 39 CO -0.09 -0.02 0.13 0.00 1.20 0.00 0.00 173.24 174.46 3ls3 s MET 40 N -0.28 0.66 -0.17 5.44 0.23 0.07 -1.00 119.30 124.25 3ls3 s MET 40 Ca -0.01 -0.79 -0.04 0.00 -1.03 0.00 0.00 55.69 53.81 3ls3 s MET 40 Cb -0.02 0.26 -0.03 0.00 -1.53 0.00 0.00 34.83 33.51 3ls3 s MET 40 CO -0.00 -0.18 -0.02 -0.51 -2.03 0.00 0.00 175.02 172.28 3ls3 s ASP 41 N -2.31 4.90 -0.06 -1.18 1.01 0.38 -1.02 116.67 118.39 3ls3 s ASP 41 Ca -0.02 -0.13 0.04 0.00 0.71 0.00 0.00 52.55 53.15 3ls3 s ASP 41 Cb 0.01 -1.82 -0.00 0.00 1.01 0.00 0.00 42.92 42.12 3ls3 s ASP 41 CO -0.06 0.14 -0.20 -0.76 0.21 0.00 0.00 175.17 174.50 3ls3 s LEU 42 N 0.55 1.95 -0.09 1.23 1.43 0.17 -1.31 118.68 122.61 3ls3 s LEU 42 Ca -0.02 -0.43 0.03 0.00 -1.03 0.00 0.00 54.13 52.68 3ls3 s LEU 42 Cb -0.14 -1.14 0.01 0.00 0.03 0.00 0.00 46.19 44.95 3ls3 s LEU 42 CO 0.02 0.16 -0.17 -0.54 0.23 0.00 0.00 176.35 176.05 3ls3 s LYS 43 N 0.15 2.35 -0.12 1.70 1.02 0.57 -1.52 119.74 123.88 3ls3 s LYS 43 Ca -0.09 -0.63 -0.29 0.00 0.02 0.00 0.00 55.97 54.98 3ls3 s LYS 43 Cb -0.14 -1.88 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 3ls3 s LYS 43 CO 0.04 0.05 1.51 0.08 -0.92 0.00 0.00 175.35 176.12 3ls3 s VAL 44 N 0.65 3.84 -0.19 3.17 1.01 -0.35 -1.27 120.40 127.26 3ls3 s VAL 44 Ca -0.13 1.00 0.15 0.00 0.00 0.00 0.00 61.98 63.00 3ls3 s VAL 44 Cb -0.16 -3.68 -0.23 0.00 0.00 0.00 0.00 36.38 32.31 3ls3 s VAL 44 CO 0.04 -0.13 0.04 0.29 0.00 0.00 0.00 175.10 175.34 3ls3 n LYS 45 N 7.04 0.87 -4.01 2.72 4.76 0.31 -4.92 118.16 124.92 3ls3 n LYS 45 Ca 0.16 0.01 -0.12 0.00 -2.87 0.00 0.00 58.31 55.49 3ls3 n LYS 45 Cb 0.44 -1.49 -0.13 0.00 -1.84 0.00 0.00 35.03 32.02 3ls3 n LYS 45 CO 0.00 0.00 0.00 -1.21 -1.37 0.00 0.00 177.40 174.82 3ls3 s GLU 46 N -2.46 0.30 0.00 1.97 2.02 -0.97 -4.91 118.70 114.65 3ls3 s GLU 46 Ca -0.12 -0.40 0.00 0.00 0.02 0.00 0.00 54.97 54.48 3ls3 s GLU 46 Cb 0.06 -0.12 0.00 0.00 0.10 0.00 0.00 34.13 34.17 3ls3 s GLU 46 CO 0.76 0.02 0.00 0.41 0.02 0.00 0.00 175.26 176.47 3ls3 n GLY 47 N 2.24 0.75 3.87 -1.39 0.00 -1.26 -1.57 105.19 107.83 3ls3 n GLY 47 Ca -0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.53 3ls3 n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ls3 s GLY 48 N -1.79 1.74 0.25 -0.02 0.00 -1.26 -3.95 107.32 102.29 3ls3 s GLY 48 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 44.72 44.31 3ls3 s GLY 48 CO 0.00 0.13 1.11 2.56 0.00 0.00 0.00 173.10 176.90 3ls3 s PRO 49 N -4.75 4.61 0.14 2.90 0.04 -1.26 -5.08 135.00 131.60 3ls3 s PRO 49 Ca 0.54 1.80 -0.31 0.00 0.04 0.00 0.00 61.00 63.07 3ls3 s PRO 49 Cb -0.11 -3.21 -0.10 0.00 0.04 0.00 0.00 34.50 31.12 3ls3 s PRO 49 CO 0.46 0.15 1.66 -0.51 0.04 0.00 0.00 177.00 178.80 3ls3 s LEU 50 N -1.10 4.37 -0.01 -3.56 1.43 -1.25 -4.88 118.68 113.68 3ls3 s LEU 50 Ca 0.46 2.66 0.05 0.00 -1.03 0.00 0.00 54.13 56.27 3ls3 s LEU 50 Cb -0.32 -3.58 0.14 0.00 0.03 0.00 0.00 46.19 42.46 3ls3 s LEU 50 CO 0.40 -0.90 1.08 -0.81 0.23 0.00 0.00 176.35 176.34 3ls3 n PRO 51 N 4.67 1.41 -4.24 1.29 -0.04 -1.26 -4.91 135.00 131.92 3ls3 n PRO 51 Ca 0.15 -0.58 -0.14 0.00 -0.04 0.00 0.00 63.50 62.90 3ls3 n PRO 51 Cb 0.38 -1.18 -0.10 0.00 -0.04 0.00 0.00 33.50 32.56 3ls3 n PRO 51 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 3ls3 s PHE 52 N -1.75 1.23 0.10 0.54 -0.12 -1.26 -4.73 117.98 112.00 3ls3 s PHE 52 Ca 0.11 -1.10 -0.31 0.00 -0.05 0.00 0.00 56.93 55.58 3ls3 s PHE 52 Cb 0.06 -0.70 -0.10 0.00 -0.63 0.00 0.00 43.02 41.65 3ls3 s PHE 52 CO 0.07 -0.30 1.85 0.00 -0.05 0.00 0.00 175.22 176.79 3ls3 s ALA 53 N -3.76 3.72 0.55 1.99 0.00 0.22 -4.88 121.76 119.61 3ls3 s ALA 53 Ca 0.28 1.41 0.22 0.00 0.00 0.00 0.00 51.96 53.87 3ls3 s ALA 53 Cb 0.07 -3.78 1.51 0.00 0.00 0.00 0.00 23.12 20.92 3ls3 s ALA 53 CO 0.06 -1.29 2.19 -0.92 0.00 0.00 0.00 175.76 175.80 3ls3 h TYR 54 N 8.99 0.00 -0.07 0.00 3.20 -1.96 -2.70 116.97 124.43 3ls3 h TYR 54 Ca -0.47 0.00 0.02 0.00 3.14 0.00 0.00 58.73 61.43 3ls3 h TYR 54 Cb 1.22 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.49 3ls3 h TYR 54 CO 0.82 0.00 0.14 -0.44 -1.64 0.00 0.00 178.16 177.04 3ls3 h ASP 55 N 0.00 0.00 0.66 -2.11 3.32 -1.96 -0.68 116.42 115.65 3ls3 h ASP 55 Ca 0.01 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3ls3 h ASP 55 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 3ls3 h ASP 55 CO -0.00 0.00 0.00 2.30 -1.72 0.00 0.00 179.24 179.82 3ls3 n ILE 56 N -3.46 0.64 0.17 0.35 -5.35 -1.02 -3.00 119.36 107.69 3ls3 n ILE 56 Ca -0.01 0.16 0.11 0.00 -0.27 0.00 0.00 62.75 62.74 3ls3 n ILE 56 Cb 0.22 -0.82 -0.15 0.00 -1.74 0.00 0.00 39.64 37.15 3ls3 n ILE 56 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3ls3 n LEU 57 N -1.49 0.22 -0.10 7.28 4.77 -0.26 -4.73 117.00 122.68 3ls3 n LEU 57 Ca 0.05 -0.06 -0.11 0.00 -0.03 0.00 0.00 56.01 55.86 3ls3 n LEU 57 Cb 0.23 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.34 3ls3 n LEU 57 CO 0.18 0.03 0.61 0.71 -1.33 0.00 0.00 177.39 177.59 3ls3 h THR 58 N 0.00 1.28 0.00 -5.08 1.35 -1.60 -1.80 112.91 107.05 3ls3 h THR 58 Ca 0.00 -1.48 -0.02 0.00 -0.55 0.00 0.00 66.41 64.35 3ls3 h THR 58 Cb 0.91 1.32 -0.00 0.00 -1.73 0.00 0.00 68.15 68.65 3ls3 h THR 58 CO 0.00 0.49 -0.12 0.24 -0.25 0.00 0.00 175.52 175.89 3ls3 h MET 59 N 0.72 0.00 -0.60 4.72 2.86 -1.85 -2.63 114.93 118.15 3ls3 h MET 59 Ca 0.07 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.62 3ls3 h MET 59 Cb 0.88 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 32.52 3ls3 h MET 59 CO 0.08 0.12 -0.02 0.00 1.06 0.00 0.00 176.91 178.15 3ls3 h ALA 60 N 1.88 0.84 0.00 6.32 0.00 -1.63 -3.44 119.26 123.23 3ls3 h ALA 60 Ca -0.00 -0.32 -0.24 0.00 0.00 0.00 0.00 54.91 54.35 3ls3 h ALA 60 Cb 0.41 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 17.99 3ls3 h ALA 60 CO 0.02 0.67 1.97 1.19 0.00 0.00 0.00 179.25 183.09 3ls3 n PHE 61 N -4.17 0.86 0.00 0.00 0.99 -1.00 -5.03 117.46 109.11 3ls3 n PHE 61 Ca 0.03 -1.43 0.00 0.00 -0.00 0.00 0.00 57.45 56.05 3ls3 n PHE 61 Cb 0.36 -1.29 0.00 0.00 -1.00 0.00 0.00 39.48 37.55 3ls3 n PHE 61 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 3ls3 n ASN 65 N 4.36 0.00 0.00 4.37 2.85 -1.26 -5.14 115.26 120.45 3ls3 n ASN 65 Ca 0.29 0.00 0.09 0.00 -0.11 0.00 0.00 54.58 54.85 3ls3 n ASN 65 Cb 0.10 0.00 0.53 0.00 1.24 0.00 0.00 39.78 41.65 3ls3 n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.11 0.00 0.00 177.26 174.01 3ls3 n ARG 66 N 0.00 0.59 0.28 1.20 3.00 -1.26 -1.78 116.66 118.68 3ls3 n ARG 66 Ca 0.00 0.00 0.12 0.00 -0.00 0.00 0.00 57.85 57.97 3ls3 n ARG 66 Cb 0.00 -1.47 0.78 0.00 0.00 0.00 0.00 32.46 31.77 3ls3 n ARG 66 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.63 177.39 3ls3 h VAL 67 N 0.00 0.68 -2.06 5.15 3.04 -1.95 -3.18 116.25 117.93 3ls3 h VAL 67 Ca 0.00 -0.19 -0.77 0.00 -1.01 0.00 0.00 66.70 64.73 3ls3 h VAL 67 Cb 0.00 1.12 -0.20 0.00 -2.01 0.00 0.00 31.29 30.20 3ls3 h VAL 67 CO 0.00 0.05 1.49 0.49 -1.01 0.00 0.00 177.57 178.59 3ls3 n PHE 68 N -3.96 3.35 -3.76 3.17 3.72 -0.74 -4.65 117.46 114.58 3ls3 n PHE 68 Ca -0.03 -2.94 -0.13 0.00 -0.05 0.00 0.00 57.45 54.31 3ls3 n PHE 68 Cb 0.14 -1.81 -0.12 0.00 -0.94 0.00 0.00 39.48 36.75 3ls3 n PHE 68 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3ls3 s ALA 69 N -0.28 -0.64 -0.51 4.37 0.00 -1.20 -4.42 121.76 119.08 3ls3 s ALA 69 Ca 0.37 0.85 -0.28 0.00 0.00 0.00 0.00 51.96 52.90 3ls3 s ALA 69 Cb 0.05 -0.51 0.03 0.00 0.00 0.00 0.00 23.12 22.69 3ls3 s ALA 69 CO 0.02 -0.15 1.14 0.21 0.00 0.00 0.00 175.76 176.98 3ls3 s LYS 70 N 0.51 3.63 -0.25 0.00 2.20 -0.40 -4.49 119.74 120.94 3ls3 s LYS 70 Ca -0.03 0.41 -0.10 0.00 -0.36 0.00 0.00 55.97 55.89 3ls3 s LYS 70 Cb -0.05 -3.95 -0.05 0.00 -1.51 0.00 0.00 37.83 32.28 3ls3 s LYS 70 CO -0.03 -1.48 0.15 0.71 -0.36 0.00 0.00 175.35 174.35 3ls3 s TYR 71 N 4.57 3.25 0.93 4.03 2.02 -1.26 -1.05 117.35 129.83 3ls3 s TYR 71 Ca 0.45 0.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.13 3ls3 s TYR 71 Cb -0.07 -2.29 0.15 0.00 -0.40 0.00 0.00 41.96 39.34 3ls3 s TYR 71 CO 0.29 -0.06 1.10 -1.25 -1.57 0.00 0.00 175.55 174.06 3ls3 s PRO 72 N 1.34 0.98 0.53 -1.71 0.04 -1.26 -4.94 135.00 129.97 3ls3 s PRO 72 Ca 0.07 0.63 0.18 0.00 0.04 0.00 0.00 61.00 61.91 3ls3 s PRO 72 Cb -0.15 -1.79 1.34 0.00 0.04 0.00 0.00 34.50 33.94 3ls3 s PRO 72 CO 0.07 -2.39 2.15 1.49 0.04 0.00 0.00 177.00 178.36 3ls3 h GLU 73 N -1.65 0.00 -0.46 4.56 4.57 -1.99 -2.71 114.58 116.90 3ls3 h GLU 73 Ca -0.51 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 3ls3 h GLU 73 Cb 1.31 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.90 3ls3 h GLU 73 CO 0.57 0.00 0.00 0.27 -1.18 0.00 0.00 179.01 178.67 3ls3 n ASN 74 N -4.46 2.30 -4.03 1.04 6.94 -1.26 -4.70 115.26 111.09 3ls3 n ASN 74 Ca -0.02 -2.10 -0.24 0.00 -0.02 0.00 0.00 54.58 52.20 3ls3 n ASN 74 Cb 0.12 -0.32 -0.16 0.00 -2.36 0.00 0.00 39.78 37.05 3ls3 n ASN 74 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 3ls3 s ILE 75 N -1.58 1.08 0.13 1.53 1.01 -1.02 -5.06 121.20 117.29 3ls3 s ILE 75 Ca 0.26 -0.47 -0.31 0.00 0.00 0.00 0.00 60.65 60.13 3ls3 s ILE 75 Cb 0.15 -0.98 -0.08 0.00 0.01 0.00 0.00 42.46 41.56 3ls3 s ILE 75 CO 0.15 0.34 1.36 -0.69 0.00 0.00 0.00 174.94 176.10 3ls3 s VAL 76 N 0.53 3.32 -0.58 2.92 1.01 -1.26 -4.74 120.40 121.61 3ls3 s VAL 76 Ca -0.11 0.98 -0.14 0.00 0.00 0.00 0.00 61.98 62.71 3ls3 s VAL 76 Cb -0.14 -3.63 0.14 0.00 0.00 0.00 0.00 36.38 32.76 3ls3 s VAL 76 CO 0.03 0.09 0.51 -0.62 0.00 0.00 0.00 175.10 175.11 3ls3 s ASP 77 N 0.91 6.14 0.36 3.32 -1.08 -1.26 -4.63 116.67 120.42 3ls3 s ASP 77 Ca 0.62 -2.02 0.04 0.00 -0.52 0.00 0.00 52.55 50.67 3ls3 s ASP 77 Cb -0.36 -2.15 0.68 0.00 -1.46 0.00 0.00 42.92 39.62 3ls3 s ASP 77 CO 0.32 -0.75 1.99 0.22 0.52 0.00 0.00 175.17 177.47 3ls3 h TYR 78 N 8.52 0.68 0.11 -5.34 3.20 -1.94 -3.12 116.97 119.08 3ls3 h TYR 78 Ca -0.20 -0.00 -0.14 0.00 3.14 0.00 0.00 58.73 61.53 3ls3 h TYR 78 Cb 1.08 -0.22 0.02 0.00 1.54 0.00 0.00 36.73 39.14 3ls3 h TYR 78 CO 0.76 0.47 -0.62 0.74 -1.64 0.00 0.00 178.16 177.88 3ls3 h PHE 79 N 0.71 0.42 0.00 -3.82 -1.00 -1.92 -3.17 116.94 108.16 3ls3 h PHE 79 Ca 0.18 -0.30 -0.08 0.00 2.81 0.00 0.00 57.97 60.58 3ls3 h PHE 79 Cb 0.01 -0.02 -0.01 0.00 3.61 0.00 0.00 35.95 39.54 3ls3 h PHE 79 CO 0.00 1.23 -0.38 0.87 -1.61 0.00 0.00 178.31 178.43 3ls3 h LYS 80 N -0.51 0.00 0.00 1.51 1.57 -1.89 -1.94 116.57 115.30 3ls3 h LYS 80 Ca -0.11 0.00 -0.03 0.00 -1.87 0.00 0.00 60.65 58.64 3ls3 h LYS 80 Cb 1.48 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.79 3ls3 h LYS 80 CO 0.12 0.38 -0.16 1.96 -0.57 0.00 0.00 179.45 181.18 3ls3 h GLN 81 N 0.00 0.00 0.00 3.15 4.20 -1.58 -3.23 115.11 117.66 3ls3 h GLN 81 Ca -0.00 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.71 3ls3 h GLN 81 Cb 0.76 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.54 3ls3 h GLN 81 CO 0.05 0.16 0.00 0.43 -0.67 0.00 0.00 178.83 178.80 3ls3 n SER 82 N -3.59 0.56 -4.88 1.46 7.64 -0.73 -4.83 113.62 109.26 3ls3 n SER 82 Ca -0.01 0.56 -0.30 0.00 1.01 0.00 0.00 58.87 60.13 3ls3 n SER 82 Cb 0.29 -0.71 -0.03 0.00 -1.01 0.00 0.00 64.21 62.75 3ls3 n SER 82 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 3ls3 s PHE 83 N -3.10 3.48 -0.91 1.43 0.40 -1.22 -0.42 117.98 117.64 3ls3 s PHE 83 Ca 0.11 1.01 0.27 0.00 -0.60 0.00 0.00 56.93 57.72 3ls3 s PHE 83 Cb 0.14 -2.42 1.08 0.00 0.51 0.00 0.00 43.02 42.33 3ls3 s PHE 83 CO 0.54 -0.10 1.86 -0.35 0.70 0.00 0.00 175.22 177.86 3ls3 n PRO 84 N -1.34 0.08 -0.10 0.24 -0.04 -1.26 -4.82 135.00 127.76 3ls3 n PRO 84 Ca 0.02 0.09 -0.08 0.00 -0.04 0.00 0.00 63.50 63.49 3ls3 n PRO 84 Cb 0.54 -1.60 -0.00 0.00 -0.04 0.00 0.00 33.50 32.40 3ls3 n PRO 84 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 3ls3 h GLU 85 N 0.00 0.38 0.00 0.54 3.07 -1.90 -3.27 114.58 113.39 3ls3 h GLU 85 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 3ls3 h GLU 85 Cb 0.55 -0.09 0.00 0.00 -0.84 0.00 0.00 28.75 28.38 3ls3 h GLU 85 CO 0.00 0.25 0.00 0.41 -1.40 0.00 0.00 179.01 178.27 3ls3 n GLY 86 N -1.19 -1.87 3.61 -3.84 0.00 0.44 -4.63 105.19 97.71 3ls3 n GLY 86 Ca -0.00 -2.01 -0.09 0.00 0.00 0.00 0.00 46.02 43.92 3ls3 n GLY 86 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 3ls3 s TYR 87 N 0.00 -0.04 0.28 1.61 1.13 -0.99 -1.17 117.35 118.17 3ls3 s TYR 87 Ca 0.00 -0.34 0.07 0.00 -1.41 0.00 0.00 57.07 55.40 3ls3 s TYR 87 Cb 0.00 0.42 -0.06 0.00 -1.10 0.00 0.00 41.96 41.23 3ls3 s TYR 87 CO 0.00 -1.01 -0.08 -1.54 -2.51 0.00 0.00 175.55 170.41 3ls3 s SER 88 N -2.91 2.92 0.08 -0.18 1.04 -0.43 -1.00 113.70 113.21 3ls3 s SER 88 Ca 0.12 -1.16 0.01 0.00 0.48 0.00 0.00 55.95 55.40 3ls3 s SER 88 Cb -0.02 -0.20 -0.04 0.00 0.10 0.00 0.00 66.02 65.86 3ls3 s SER 88 CO 0.02 -0.28 -0.06 -1.66 0.98 0.00 0.00 173.24 172.24 3ls3 s TRP 89 N -2.92 0.77 -0.00 5.02 1.48 -0.16 -0.74 118.94 122.39 3ls3 s TRP 89 Ca 0.29 -0.95 0.02 0.00 -1.06 0.00 0.00 56.10 54.40 3ls3 s TRP 89 Cb 0.03 -0.47 -0.01 0.00 -1.16 0.00 0.00 33.47 31.86 3ls3 s TRP 89 CO 0.12 -0.22 -0.06 -1.21 -4.06 0.00 0.00 176.95 171.52 3ls3 s GLU 90 N -3.78 0.51 -0.16 3.25 2.02 -0.64 -1.45 118.70 118.45 3ls3 s GLU 90 Ca 0.10 -0.24 -0.13 0.00 0.02 0.00 0.00 54.97 54.71 3ls3 s GLU 90 Cb 0.06 -0.49 0.04 0.00 0.10 0.00 0.00 34.13 33.84 3ls3 s GLU 90 CO -0.06 0.13 0.42 0.50 0.02 0.00 0.00 175.26 176.27 3ls3 s ARG 91 N -0.20 0.47 0.17 1.61 3.52 -0.05 -0.76 118.95 123.71 3ls3 s ARG 91 Ca 0.02 0.62 0.08 0.00 -0.13 0.00 0.00 55.73 56.32 3ls3 s ARG 91 Cb -0.03 0.19 -0.04 0.00 -1.56 0.00 0.00 34.95 33.51 3ls3 s ARG 91 CO -0.00 -0.08 -0.03 -1.12 -0.81 0.00 0.00 175.30 173.26 3ls3 s SER 92 N 0.45 4.60 -0.17 -2.12 0.01 -0.36 -0.86 113.70 115.26 3ls3 s SER 92 Ca -0.02 -0.45 -0.04 0.00 1.31 0.00 0.00 55.95 56.76 3ls3 s SER 92 Cb -0.04 -0.92 0.06 0.00 0.21 0.00 0.00 66.02 65.33 3ls3 s SER 92 CO -0.02 0.10 0.06 -0.04 0.41 0.00 0.00 173.24 173.75 3ls3 s MET 93 N -2.86 0.34 -0.32 12.44 -1.94 0.46 -1.31 119.30 126.11 3ls3 s MET 93 Ca 0.26 -0.19 -0.05 0.00 -1.71 0.00 0.00 55.69 54.00 3ls3 s MET 93 Cb -0.09 -1.83 0.04 0.00 2.01 0.00 0.00 34.83 34.95 3ls3 s MET 93 CO 0.17 -0.62 0.06 0.42 -0.01 0.00 0.00 175.02 175.05 3ls3 s ILE 94 N 2.01 3.54 0.37 2.53 1.01 0.09 -1.01 121.20 129.75 3ls3 s ILE 94 Ca 0.01 -1.12 -0.12 0.00 0.00 0.00 0.00 60.65 59.41 3ls3 s ILE 94 Cb -0.16 -2.97 -0.07 0.00 0.01 0.00 0.00 42.46 39.26 3ls3 s ILE 94 CO -0.08 -0.10 0.75 -0.31 0.00 0.00 0.00 174.94 175.21 3ls3 s TYR 95 N 1.37 3.43 0.02 3.97 1.51 -0.10 -1.11 117.35 126.44 3ls3 s TYR 95 Ca -0.02 1.12 0.31 0.00 -1.01 0.00 0.00 57.07 57.47 3ls3 s TYR 95 Cb -0.19 -2.48 1.48 0.00 -0.11 0.00 0.00 41.96 40.66 3ls3 s TYR 95 CO 0.01 -0.02 1.95 1.05 -1.11 0.00 0.00 175.55 177.42 3ls3 h GLU 96 N 1.67 0.00 -0.68 -0.62 4.11 -1.48 -1.72 114.58 115.87 3ls3 h GLU 96 Ca -0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.96 3ls3 h GLU 96 Cb 1.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.43 3ls3 h GLU 96 CO 0.64 0.00 0.00 -0.40 0.07 0.00 0.00 179.01 179.32 3ls3 n ASP 97 N -2.72 4.24 0.00 3.06 5.75 -1.26 -4.95 116.55 120.67 3ls3 n ASP 97 Ca -0.00 -2.19 0.00 0.00 -0.01 0.00 0.00 54.79 52.59 3ls3 n ASP 97 Cb 0.18 -0.52 0.00 0.00 -1.03 0.00 0.00 41.12 39.76 3ls3 n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3ls3 n GLY 98 N 1.37 0.08 3.76 6.12 0.00 -0.65 -4.75 105.19 111.12 3ls3 n GLY 98 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.85 3ls3 n GLY 98 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3ls3 s GLY 99 N -1.86 2.53 -0.05 -0.02 0.00 -1.21 -4.78 107.32 101.93 3ls3 s GLY 99 Ca 0.00 1.44 0.01 0.00 0.00 0.00 0.00 44.72 46.17 3ls3 s GLY 99 CO 0.00 2.28 -0.05 -0.42 0.00 0.00 0.00 173.10 174.91 3ls3 s ILE 100 N -0.46 0.61 -0.05 0.90 1.01 -0.61 -0.93 121.20 121.67 3ls3 s ILE 100 Ca 0.57 -0.17 0.04 0.00 0.00 0.00 0.00 60.65 61.09 3ls3 s ILE 100 Cb -0.44 -0.61 -0.03 0.00 0.01 0.00 0.00 42.46 41.39 3ls3 s ILE 100 CO 0.51 0.24 -0.15 0.00 0.00 0.00 0.00 174.94 175.54 3ls3 s ASN 102 N -0.70 3.51 0.05 0.00 0.01 0.22 -0.40 114.94 117.63 3ls3 s ASN 102 Ca 0.11 -0.35 -0.04 0.00 -0.71 0.00 0.00 52.86 51.88 3ls3 s ASN 102 Cb -0.11 -0.62 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 3ls3 s ASN 102 CO 0.01 0.32 0.05 0.00 -1.51 0.00 0.00 177.10 175.97 3ls3 s ALA 103 N -0.62 0.14 0.06 0.60 0.00 -0.04 -0.70 121.76 121.21 3ls3 s ALA 103 Ca 0.10 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.27 3ls3 s ALA 103 Cb -0.11 0.28 -0.03 0.00 0.00 0.00 0.00 23.12 23.26 3ls3 s ALA 103 CO 0.00 -0.35 -0.07 0.95 0.00 0.00 0.00 175.76 176.30 3ls3 s THR 104 N -3.13 0.54 -0.04 0.00 -4.23 -0.22 -0.87 115.64 107.68 3ls3 s THR 104 Ca -0.00 -1.46 -0.02 0.00 -1.18 0.00 0.00 61.69 59.02 3ls3 s THR 104 Cb 0.02 -1.08 0.03 0.00 1.34 0.00 0.00 72.50 72.81 3ls3 s THR 104 CO -0.07 -0.63 0.10 0.21 -0.54 0.00 0.00 174.62 173.68 3ls3 s ASN 105 N -2.25 -0.06 -0.22 3.99 3.84 -0.53 -1.53 114.94 118.18 3ls3 s ASN 105 Ca -0.01 0.19 -0.03 0.00 0.21 0.00 0.00 52.86 53.22 3ls3 s ASN 105 Cb -0.03 0.12 -0.00 0.00 -0.55 0.00 0.00 41.25 40.79 3ls3 s ASN 105 CO -0.03 -0.10 -0.06 -0.62 -2.79 0.00 0.00 177.10 173.50 3ls3 s ASP 106 N 0.75 4.14 -0.20 -4.21 2.15 -0.66 -0.99 116.67 117.65 3ls3 s ASP 106 Ca -0.06 -0.43 -0.02 0.00 0.43 0.00 0.00 52.55 52.47 3ls3 s ASP 106 Cb -0.08 -1.70 -0.00 0.00 -0.30 0.00 0.00 42.92 40.83 3ls3 s ASP 106 CO -0.03 -0.02 -0.09 -0.63 -0.17 0.00 0.00 175.17 174.23 3ls3 s ILE 107 N 1.45 3.02 0.40 4.11 1.01 -0.17 -1.88 121.20 129.13 3ls3 s ILE 107 Ca 0.06 -0.62 0.04 0.00 0.00 0.00 0.00 60.65 60.13 3ls3 s ILE 107 Cb -0.14 -2.34 -0.06 0.00 0.01 0.00 0.00 42.46 39.94 3ls3 s ILE 107 CO -0.05 0.47 0.04 0.42 0.00 0.00 0.00 174.94 175.82 3ls3 s THR 108 N 1.26 1.40 -0.10 2.92 -4.23 -0.44 -2.36 115.64 114.09 3ls3 s THR 108 Ca 0.03 -2.00 0.03 0.00 -1.18 0.00 0.00 61.69 58.57 3ls3 s THR 108 Cb -0.14 -2.70 0.01 0.00 1.34 0.00 0.00 72.50 71.01 3ls3 s THR 108 CO -0.04 0.00 -0.20 -0.22 -0.54 0.00 0.00 174.62 173.62 3ls3 s LEU 109 N -3.65 1.96 -0.29 4.79 2.96 -1.24 -0.41 118.68 122.80 3ls3 s LEU 109 Ca 0.29 -0.49 0.03 0.00 -0.22 0.00 0.00 54.13 53.73 3ls3 s LEU 109 Cb 0.07 -1.25 0.07 0.00 0.50 0.00 0.00 46.19 45.58 3ls3 s LEU 109 CO 0.14 0.11 -0.05 -0.62 -1.32 0.00 0.00 176.35 174.61 3ls3 s ASP 110 N 0.54 4.49 1.73 3.68 2.15 0.26 -4.96 116.67 124.56 3ls3 s ASP 110 Ca -0.15 -1.64 0.00 0.00 0.43 0.00 0.00 52.55 51.19 3ls3 s ASP 110 Cb -0.17 -1.52 0.00 0.00 -0.30 0.00 0.00 42.92 40.93 3ls3 s ASP 110 CO 0.05 -0.26 0.00 0.61 -0.17 0.00 0.00 175.17 175.40 3ls3 n GLY 111 N 4.40 2.88 1.40 2.66 0.00 -1.26 -1.50 105.19 113.77 3ls3 n GLY 111 Ca -0.08 0.08 0.08 0.00 0.00 0.00 0.00 46.02 46.11 3ls3 n GLY 111 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ls3 n ASP 112 N 9.97 4.57 -4.18 1.61 5.75 -1.26 -4.95 116.55 128.06 3ls3 n ASP 112 Ca 0.00 -2.61 -0.34 0.00 -0.01 0.00 0.00 54.79 51.83 3ls3 n ASP 112 Cb 0.00 -0.55 -0.15 0.00 -1.03 0.00 0.00 41.12 39.39 3ls3 n ASP 112 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3ls3 s TYR 114 N 1.31 3.30 -0.25 0.00 1.51 -0.12 -0.57 117.35 122.53 3ls3 s TYR 114 Ca 0.02 1.17 -0.05 0.00 -1.01 0.00 0.00 57.07 57.20 3ls3 s TYR 114 Cb -0.15 -3.58 -0.00 0.00 -0.11 0.00 0.00 41.96 38.11 3ls3 s TYR 114 CO -0.07 -1.88 0.02 0.42 -1.11 0.00 0.00 175.55 172.93 3ls3 s ILE 115 N 0.52 3.75 -0.12 2.71 -1.09 0.45 -0.89 121.20 126.53 3ls3 s ILE 115 Ca 0.59 -0.53 0.02 0.00 -2.23 0.00 0.00 60.65 58.50 3ls3 s ILE 115 Cb -0.35 -2.81 -0.00 0.00 -1.58 0.00 0.00 42.46 37.71 3ls3 s ILE 115 CO 0.34 0.27 -0.19 0.00 -1.23 0.00 0.00 174.94 174.13 3ls3 s GLU 117 N 0.47 2.33 -0.11 0.00 2.02 -0.79 -1.91 118.70 120.72 3ls3 s GLU 117 Ca -0.13 -1.33 -0.00 0.00 0.02 0.00 0.00 54.97 53.53 3ls3 s GLU 117 Cb -0.17 -3.13 -0.02 0.00 0.10 0.00 0.00 34.13 30.91 3ls3 s GLU 117 CO 0.05 -0.64 -0.09 0.42 0.02 0.00 0.00 175.26 175.03 3ls3 s ILE 118 N 1.20 3.47 -0.06 -1.63 1.01 -0.32 -1.66 121.20 123.20 3ls3 s ILE 118 Ca -0.05 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.10 3ls3 s ILE 118 Cb -0.20 -2.45 -0.02 0.00 0.01 0.00 0.00 42.46 39.80 3ls3 s ILE 118 CO -0.02 0.55 -0.18 -0.60 0.00 0.00 0.00 174.94 174.69 3ls3 s ARG 119 N -0.15 2.65 -0.03 2.79 6.06 -0.58 -1.59 118.95 128.09 3ls3 s ARG 119 Ca 0.01 -0.77 0.01 0.00 -2.50 0.00 0.00 55.73 52.48 3ls3 s ARG 119 Cb -0.13 -2.34 0.02 0.00 0.06 0.00 0.00 34.95 32.56 3ls3 s ARG 119 CO 0.03 0.48 -0.03 0.12 -2.50 0.00 0.00 175.30 173.40 3ls3 s PHE 120 N -0.37 0.53 -0.12 5.12 5.36 -0.60 -1.05 117.98 126.84 3ls3 s PHE 120 Ca 0.03 -0.10 -0.04 0.00 -0.96 0.00 0.00 56.93 55.86 3ls3 s PHE 120 Cb -0.12 -0.51 0.06 0.00 -0.34 0.00 0.00 43.02 42.10 3ls3 s PHE 120 CO 0.02 -0.14 0.17 -0.51 -1.46 0.00 0.00 175.22 173.30 3ls3 s ASP 121 N 0.86 0.99 -0.06 6.13 1.01 0.12 -1.24 116.67 124.48 3ls3 s ASP 121 Ca -0.10 0.15 0.05 0.00 0.71 0.00 0.00 52.55 53.36 3ls3 s ASP 121 Cb -0.13 0.28 -0.02 0.00 1.01 0.00 0.00 42.92 44.06 3ls3 s ASP 121 CO -0.01 -0.27 -0.20 -0.83 0.21 0.00 0.00 175.17 174.07 3ls3 s GLY 122 N 2.30 1.40 0.10 0.21 0.00 -0.13 -0.61 107.32 110.59 3ls3 s GLY 122 Ca 0.04 -1.02 0.01 0.00 0.00 0.00 0.00 44.72 43.75 3ls3 s GLY 122 CO -0.08 -0.69 -0.03 -1.34 0.00 0.00 0.00 173.10 170.96 3ls3 s VAL 123 N -0.39 0.53 -1.78 1.40 -7.23 -0.24 -0.41 120.40 112.28 3ls3 s VAL 123 Ca 0.03 -1.91 0.00 0.00 -1.81 0.00 0.00 61.98 58.29 3ls3 s VAL 123 Cb -0.12 -1.76 0.00 0.00 0.56 0.00 0.00 36.38 35.06 3ls3 s VAL 123 CO 0.02 -0.79 0.00 0.59 -0.31 0.00 0.00 175.10 174.60 3ls3 n ASN 124 N -0.05 -5.62 -4.68 4.85 3.02 -1.26 -1.57 115.26 109.95 3ls3 n ASN 124 Ca -0.11 0.09 -0.43 0.00 -0.03 0.00 0.00 54.58 54.10 3ls3 n ASN 124 Cb 0.62 -4.69 -0.02 0.00 -0.61 0.00 0.00 39.78 35.07 3ls3 n ASN 124 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 3ls3 s PHE 125 N -2.94 3.11 0.48 3.10 0.08 -1.26 -3.30 117.98 117.24 3ls3 s PHE 125 Ca 0.00 1.19 -0.23 0.00 0.12 0.00 0.00 56.93 58.00 3ls3 s PHE 125 Cb 0.00 -3.42 -0.07 0.00 -0.57 0.00 0.00 43.02 38.96 3ls3 s PHE 125 CO 0.00 -1.32 1.27 -2.14 -0.10 0.00 0.00 175.22 172.93 3ls3 s PRO 126 N 2.69 3.60 0.46 0.24 0.02 -1.26 -4.90 135.00 135.85 3ls3 s PRO 126 Ca 0.54 2.03 0.17 0.00 0.02 0.00 0.00 61.00 63.76 3ls3 s PRO 126 Cb -0.23 -2.45 1.13 0.00 0.02 0.00 0.00 34.50 32.98 3ls3 s PRO 126 CO 0.18 -0.76 1.97 0.00 -0.33 0.00 0.00 177.00 178.07 3ls3 h ALA 127 N 2.01 2.15 -0.25 -1.55 0.00 -1.98 -1.52 119.26 118.12 3ls3 h ALA 127 Ca -0.50 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.40 3ls3 h ALA 127 Cb 1.26 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.01 3ls3 h ALA 127 CO 0.60 -0.30 0.00 0.27 0.00 0.00 0.00 179.25 179.81 3ls3 n ASN 128 N -4.45 3.07 -4.88 0.00 0.23 -1.26 -4.39 115.26 103.58 3ls3 n ASN 128 Ca 0.10 -1.95 -0.25 0.00 -0.53 0.00 0.00 54.58 51.95 3ls3 n ASN 128 Cb 0.46 -0.15 0.07 0.00 -2.08 0.00 0.00 39.78 38.08 3ls3 n ASN 128 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 3ls3 s GLY 129 N -1.67 1.71 0.55 4.83 0.00 -0.57 -4.88 107.32 107.29 3ls3 s GLY 129 Ca 0.35 -1.03 0.33 0.00 0.00 0.00 0.00 44.72 44.38 3ls3 s GLY 129 CO 0.31 -0.61 1.99 -0.56 0.00 0.00 0.00 173.10 174.23 3ls3 h PRO 130 N -0.58 0.00 0.16 2.90 0.13 -1.94 -1.07 132.00 131.60 3ls3 h PRO 130 Ca -0.44 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.69 3ls3 h PRO 130 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3ls3 h PRO 130 CO 0.57 0.02 -0.07 0.28 -0.23 0.00 0.00 178.00 178.57 3ls3 h VAL 131 N 0.00 0.78 0.00 1.56 2.07 -1.93 0.12 116.25 118.84 3ls3 h VAL 131 Ca -0.00 -1.17 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 3ls3 h VAL 131 Cb 0.50 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.60 3ls3 h VAL 131 CO 0.00 0.21 -0.11 0.24 0.02 0.00 0.00 177.57 177.94 3ls3 h MET 132 N -0.91 0.00 -0.16 1.57 2.86 -1.75 0.72 114.93 117.27 3ls3 h MET 132 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3ls3 h MET 132 Cb 0.51 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.17 3ls3 h MET 132 CO 0.03 0.11 0.00 1.04 1.06 0.00 0.00 176.91 179.15 3ls3 n GLN 133 N -3.26 1.93 -3.82 1.72 1.13 -0.41 -4.74 117.38 109.92 3ls3 n GLN 133 Ca 0.00 -1.38 -0.23 0.00 -1.94 0.00 0.00 57.00 53.45 3ls3 n GLN 133 Cb 0.36 -1.44 0.01 0.00 0.11 0.00 0.00 30.24 29.27 3ls3 n GLN 133 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 3ls3 n LYS 134 N 0.62 -4.10 -0.53 -1.09 5.02 -0.93 -4.91 118.16 112.24 3ls3 n LYS 134 Ca 0.17 0.51 0.08 0.00 -2.02 0.00 0.00 58.31 57.06 3ls3 n LYS 134 Cb 0.42 -4.86 0.29 0.00 -0.02 0.00 0.00 35.03 30.86 3ls3 n LYS 134 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3ls3 n ARG 135 N -4.33 3.47 -3.30 1.97 1.74 -0.02 -4.99 116.66 111.20 3ls3 n ARG 135 Ca -0.31 -2.82 -0.34 0.00 -0.77 0.00 0.00 57.85 53.62 3ls3 n ARG 135 Cb 0.68 -1.87 -0.06 0.00 -1.02 0.00 0.00 32.46 30.19 3ls3 n ARG 135 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3ls3 s THR 136 N -2.44 4.81 -0.08 0.55 -4.23 -1.25 -1.31 115.64 111.69 3ls3 s THR 136 Ca 0.44 0.81 -0.08 0.00 -1.18 0.00 0.00 61.69 61.68 3ls3 s THR 136 Cb 0.33 -3.69 -0.04 0.00 1.34 0.00 0.00 72.50 70.43 3ls3 s THR 136 CO 0.14 0.06 -0.17 0.52 -0.54 0.00 0.00 174.62 174.63 3ls3 n VAL 137 N 0.29 1.06 -3.49 2.29 0.31 0.01 -4.76 118.33 114.04 3ls3 n VAL 137 Ca -0.02 0.07 -0.10 0.00 -0.01 0.00 0.00 64.34 64.28 3ls3 n VAL 137 Cb 0.52 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.61 3ls3 n VAL 137 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3ls3 s LYS 138 N -2.34 1.07 0.13 5.55 -2.85 -1.24 -4.99 119.74 115.07 3ls3 s LYS 138 Ca -0.16 -0.41 -0.29 0.00 -1.00 0.00 0.00 55.97 54.11 3ls3 s LYS 138 Cb 0.04 0.48 -0.06 0.00 -2.06 0.00 0.00 37.83 36.23 3ls3 s LYS 138 CO 0.21 -0.47 0.93 -1.58 0.10 0.00 0.00 175.35 174.54 3ls3 s TRP 139 N -3.43 3.84 0.89 1.78 0.52 -1.26 -0.27 118.94 121.01 3ls3 s TRP 139 Ca 0.04 1.78 -0.11 0.00 0.02 0.00 0.00 56.10 57.83 3ls3 s TRP 139 Cb -0.01 -3.01 0.13 0.00 -1.15 0.00 0.00 33.47 29.43 3ls3 s TRP 139 CO -0.10 0.27 1.10 -1.21 0.02 0.00 0.00 176.95 177.03 3ls3 s GLU 140 N -0.24 1.26 0.13 4.98 0.41 -0.29 -4.79 118.70 120.15 3ls3 s GLU 140 Ca 0.45 1.18 -0.35 0.00 -0.41 0.00 0.00 54.97 55.84 3ls3 s GLU 140 Cb -0.23 -1.78 -0.16 0.00 -1.78 0.00 0.00 34.13 30.18 3ls3 s GLU 140 CO 0.29 -2.35 1.37 1.28 -0.49 0.00 0.00 175.26 175.37 3ls3 n LEU 141 N -4.00 2.09 -4.60 1.80 4.32 -1.26 -4.81 117.00 110.53 3ls3 n LEU 141 Ca 0.09 1.12 -0.29 0.00 -0.02 0.00 0.00 56.01 56.90 3ls3 n LEU 141 Cb 0.53 -1.27 -0.09 0.00 -1.62 0.00 0.00 43.42 40.97 3ls3 n LEU 141 CO 0.53 -0.86 -0.40 -0.44 -1.22 0.00 0.00 177.39 175.00 3ls3 s SER 142 N 0.49 4.52 -0.16 -1.43 0.01 -0.59 -4.94 113.70 111.59 3ls3 s SER 142 Ca 0.80 -0.37 -0.00 0.00 1.31 0.00 0.00 55.95 57.69 3ls3 s SER 142 Cb -0.85 -0.90 0.04 0.00 0.21 0.00 0.00 66.02 64.52 3ls3 s SER 142 CO 0.46 0.16 -0.05 -0.89 0.41 0.00 0.00 173.24 173.33 3ls3 s THR 143 N -1.30 1.10 -0.01 1.44 2.01 -1.26 -0.82 115.64 116.80 3ls3 s THR 143 Ca 0.23 -0.60 -0.14 0.00 0.31 0.00 0.00 61.69 61.49 3ls3 s THR 143 Cb -0.11 -1.26 -0.06 0.00 0.01 0.00 0.00 72.50 71.08 3ls3 s THR 143 CO 0.15 0.15 0.39 -0.70 -0.69 0.00 0.00 174.62 173.92 3ls3 s GLU 144 N 1.64 3.88 -0.19 4.92 2.12 0.28 -4.49 118.70 126.87 3ls3 s GLU 144 Ca 0.01 0.37 -0.03 0.00 0.36 0.00 0.00 54.97 55.68 3ls3 s GLU 144 Cb -0.15 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.01 3ls3 s GLU 144 CO -0.08 0.69 -0.07 0.15 -0.54 0.00 0.00 175.26 175.41 3ls3 s LYS 145 N -1.05 3.38 -0.10 4.30 -0.14 -0.36 -0.92 119.74 124.86 3ls3 s LYS 145 Ca 0.23 -0.64 0.00 0.00 -1.36 0.00 0.00 55.97 54.20 3ls3 s LYS 145 Cb -0.16 -2.88 -0.02 0.00 -1.68 0.00 0.00 37.83 33.09 3ls3 s LYS 145 CO 0.13 -0.05 -0.09 -0.51 -0.76 0.00 0.00 175.35 174.06 3ls3 s LEU 146 N 1.07 2.97 0.03 3.17 1.02 0.42 -1.69 118.68 125.68 3ls3 s LEU 146 Ca 0.01 -0.16 -0.10 0.00 0.02 0.00 0.00 54.13 53.90 3ls3 s LEU 146 Cb -0.15 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 44.41 3ls3 s LEU 146 CO -0.01 0.27 0.19 -0.72 0.02 0.00 0.00 176.35 176.10 3ls3 s TYR 147 N -0.24 0.03 0.09 0.29 1.13 -0.35 -2.13 117.35 116.18 3ls3 s TYR 147 Ca 0.02 -0.20 -0.17 0.00 -1.41 0.00 0.00 57.07 55.32 3ls3 s TYR 147 Cb -0.13 -0.02 -0.07 0.00 -1.10 0.00 0.00 41.96 40.64 3ls3 s TYR 147 CO 0.03 -0.40 0.54 0.08 -2.51 0.00 0.00 175.55 173.29 3ls3 s VAL 148 N -2.23 4.82 -0.21 -3.49 1.01 -1.26 -0.35 120.40 118.70 3ls3 s VAL 148 Ca -0.08 1.02 -0.16 0.00 0.00 0.00 0.00 61.98 62.76 3ls3 s VAL 148 Cb -0.03 -3.81 0.06 0.00 0.00 0.00 0.00 36.38 32.60 3ls3 s VAL 148 CO -0.02 0.44 0.53 -0.60 0.00 0.00 0.00 175.10 175.45 3ls3 s ARG 149 N -1.44 0.59 -1.46 2.72 3.52 -0.67 -4.93 118.95 117.29 3ls3 s ARG 149 Ca 0.32 0.82 -0.09 0.00 -0.13 0.00 0.00 55.73 56.64 3ls3 s ARG 149 Cb -0.17 0.22 0.04 0.00 -1.56 0.00 0.00 34.95 33.48 3ls3 s ARG 149 CO 0.18 -0.10 0.81 -0.25 -0.81 0.00 0.00 175.30 175.13 3ls3 n ASP 150 N 3.27 -5.31 0.00 -2.12 8.00 -1.26 -2.09 116.55 117.04 3ls3 n ASP 150 Ca -0.16 -0.50 0.00 0.00 0.71 0.00 0.00 54.79 54.84 3ls3 n ASP 150 Cb 0.56 -4.27 0.00 0.00 -0.02 0.00 0.00 41.12 37.40 3ls3 n ASP 150 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ls3 n GLY 151 N -1.60 0.41 3.49 0.44 0.00 -1.26 -4.98 105.19 101.68 3ls3 n GLY 151 Ca -0.02 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.76 3ls3 n GLY 151 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3ls3 s VAL 152 N -1.94 0.84 -0.18 1.61 -7.23 -0.89 -5.00 120.40 107.61 3ls3 s VAL 152 Ca 0.00 -2.00 -0.06 0.00 -1.81 0.00 0.00 61.98 58.11 3ls3 s VAL 152 Cb 0.00 -2.53 -0.03 0.00 0.56 0.00 0.00 36.38 34.38 3ls3 s VAL 152 CO 0.00 0.00 0.02 -0.22 -0.31 0.00 0.00 175.10 174.59 3ls3 s LEU 153 N -3.55 3.51 0.30 1.32 2.96 -1.01 -1.67 118.68 120.55 3ls3 s LEU 153 Ca 0.29 -0.04 0.09 0.00 -0.22 0.00 0.00 54.13 54.25 3ls3 s LEU 153 Cb 0.05 -1.88 -0.05 0.00 0.50 0.00 0.00 46.19 44.82 3ls3 s LEU 153 CO 0.14 0.15 -0.00 -0.54 -1.32 0.00 0.00 176.35 174.79 3ls3 s LYS 154 N 0.48 2.16 0.15 1.98 -0.14 0.53 0.30 119.74 125.20 3ls3 s LYS 154 Ca 0.00 -1.58 -0.15 0.00 -1.36 0.00 0.00 55.97 52.88 3ls3 s LYS 154 Cb -0.13 -2.04 0.02 0.00 -1.68 0.00 0.00 37.83 34.00 3ls3 s LYS 154 CO 0.02 0.25 0.41 -1.54 -0.76 0.00 0.00 175.35 173.73 3ls3 s SER 155 N -3.69 -0.17 0.09 2.83 1.04 -0.00 -1.21 113.70 112.58 3ls3 s SER 155 Ca 0.33 -0.49 -0.11 0.00 0.48 0.00 0.00 55.95 56.16 3ls3 s SER 155 Cb -0.04 0.49 0.01 0.00 0.10 0.00 0.00 66.02 66.59 3ls3 s SER 155 CO 0.20 -0.92 0.25 1.51 0.98 0.00 0.00 173.24 175.25 3ls3 s ASP 156 N -2.86 0.01 -0.06 7.02 3.84 -0.68 -1.12 116.67 122.81 3ls3 s ASP 156 Ca 0.08 -0.50 -0.16 0.00 -0.00 0.00 0.00 52.55 51.96 3ls3 s ASP 156 Cb 0.01 0.37 0.03 0.00 -1.38 0.00 0.00 42.92 41.95 3ls3 s ASP 156 CO -0.07 -0.73 0.38 -0.83 -0.00 0.00 0.00 175.17 173.92 3ls3 s GLY 157 N -2.69 -0.24 -0.66 2.12 0.00 -0.50 -1.22 107.32 104.12 3ls3 s GLY 157 Ca 0.03 0.69 -0.09 0.00 0.00 0.00 0.00 44.72 45.35 3ls3 s GLY 157 CO -0.10 0.49 0.54 -1.31 0.00 0.00 0.00 173.10 172.72 3ls3 s ASN 158 N -0.80 5.96 0.41 1.64 0.01 -1.26 -1.07 114.94 119.82 3ls3 s ASN 158 Ca -0.09 -2.54 0.07 0.00 -0.71 0.00 0.00 52.86 49.59 3ls3 s ASN 158 Cb -0.04 -2.04 0.01 0.00 0.41 0.00 0.00 41.25 39.59 3ls3 s ASN 158 CO 0.04 -0.54 0.56 -0.31 -1.51 0.00 0.00 177.10 175.34 3ls3 s TYR 159 N 0.41 2.93 -0.15 2.20 2.02 0.33 -4.89 117.35 120.21 3ls3 s TYR 159 Ca 0.14 -0.28 -0.11 0.00 -0.37 0.00 0.00 57.07 56.45 3ls3 s TYR 159 Cb -0.18 -2.29 0.04 0.00 -0.40 0.00 0.00 41.96 39.13 3ls3 s TYR 159 CO -0.05 -0.33 0.37 0.00 -1.57 0.00 0.00 175.55 173.98 3ls3 s ALA 160 N -2.34 -0.93 -0.15 3.71 0.00 -1.26 -1.51 121.76 119.29 3ls3 s ALA 160 Ca 0.52 1.18 -0.12 0.00 0.00 0.00 0.00 51.96 53.53 3ls3 s ALA 160 Cb -0.10 -0.70 -0.05 0.00 0.00 0.00 0.00 23.12 22.27 3ls3 s ALA 160 CO 0.33 -0.20 0.25 -0.51 0.00 0.00 0.00 175.76 175.63 3ls3 s LEU 161 N 0.61 4.28 0.37 0.00 1.43 -0.02 -1.14 118.68 124.21 3ls3 s LEU 161 Ca -0.03 0.49 -0.26 0.00 -1.03 0.00 0.00 54.13 53.30 3ls3 s LEU 161 Cb -0.05 -2.29 -0.09 0.00 0.03 0.00 0.00 46.19 43.79 3ls3 s LEU 161 CO -0.04 0.18 1.08 -0.55 0.23 0.00 0.00 176.35 177.25 3ls3 s SER 162 N 0.08 6.86 0.14 2.29 0.15 0.63 -0.85 113.70 123.01 3ls3 s SER 162 Ca 0.15 2.15 0.07 0.00 0.70 0.00 0.00 55.95 59.02 3ls3 s SER 162 Cb -0.13 -2.60 -0.04 0.00 -1.71 0.00 0.00 66.02 61.54 3ls3 s SER 162 CO 0.04 -0.42 -0.01 -0.76 1.20 0.00 0.00 173.24 173.28 3ls3 s LEU 163 N -2.28 3.33 0.16 3.45 1.43 -0.51 -0.81 118.68 123.46 3ls3 s LEU 163 Ca 0.54 -0.33 -0.31 0.00 -1.03 0.00 0.00 54.13 53.00 3ls3 s LEU 163 Cb -0.26 -2.02 -0.11 0.00 0.03 0.00 0.00 46.19 43.82 3ls3 s LEU 163 CO 0.33 0.12 1.74 -0.70 0.23 0.00 0.00 176.35 178.08 3ls3 s GLU 164 N -2.68 4.14 0.00 1.70 -6.30 -0.43 -0.98 118.70 114.15 3ls3 s GLU 164 Ca 0.26 2.56 0.00 0.00 -2.50 0.00 0.00 54.97 55.30 3ls3 s GLU 164 Cb -0.10 -3.31 0.00 0.00 0.00 0.00 0.00 34.13 30.72 3ls3 s GLU 164 CO 0.18 -0.77 0.00 0.41 0.02 0.00 0.00 175.26 175.10 3ls3 n GLY 165 N 4.06 3.15 0.00 -1.50 0.00 -1.26 -4.93 105.19 104.70 3ls3 n GLY 165 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 3ls3 n GLY 165 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ls3 n GLY 166 N -1.93 3.78 0.00 -0.02 0.00 -0.16 -5.16 105.19 101.70 3ls3 n GLY 166 Ca 0.00 -1.72 0.00 0.00 0.00 0.00 0.00 46.02 44.30 3ls3 n GLY 166 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3ls3 n GLY 167 N -1.63 -0.69 3.23 -0.02 0.00 -1.26 -4.48 105.19 100.34 3ls3 n GLY 167 Ca 0.00 -1.73 -0.15 0.00 0.00 0.00 0.00 46.02 44.15 3ls3 n GLY 167 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3ls3 s HIS 168 N -1.34 1.23 -0.12 1.61 0.09 -1.26 -1.42 115.29 114.07 3ls3 s HIS 168 Ca 0.00 -0.72 -0.01 0.00 -0.00 0.00 0.00 55.06 54.34 3ls3 s HIS 168 Cb 0.00 -0.64 0.03 0.00 -0.00 0.00 0.00 32.58 31.97 3ls3 s HIS 168 CO 0.00 0.07 -0.06 -0.47 -0.00 0.00 0.00 174.74 174.28 3ls3 s TYR 169 N -3.01 1.44 0.06 1.40 5.04 -0.03 -4.94 117.35 117.31 3ls3 s TYR 169 Ca 0.13 -0.77 -0.06 0.00 -2.44 0.00 0.00 57.07 53.93 3ls3 s TYR 169 Cb 0.01 -1.20 -0.05 0.00 0.35 0.00 0.00 41.96 41.06 3ls3 s TYR 169 CO 0.01 -0.52 0.32 1.03 -1.34 0.00 0.00 175.55 175.04 3ls3 s ARG 170 N 1.72 3.62 -0.06 4.97 1.81 -1.26 -0.84 118.95 128.91 3ls3 s ARG 170 Ca 0.04 -0.05 -0.03 0.00 -1.72 0.00 0.00 55.73 53.96 3ls3 s ARG 170 Cb -0.13 -3.00 0.03 0.00 -0.45 0.00 0.00 34.95 31.39 3ls3 s ARG 170 CO -0.08 0.58 0.14 0.00 -0.68 0.00 0.00 175.30 175.26 3ls3 s ASP 172 N 0.73 6.22 -0.14 0.00 1.01 -0.27 -0.51 116.67 123.70 3ls3 s ASP 172 Ca -0.05 0.24 -0.05 0.00 0.71 0.00 0.00 52.55 53.40 3ls3 s ASP 172 Cb -0.07 -2.13 -0.04 0.00 1.01 0.00 0.00 42.92 41.69 3ls3 s ASP 172 CO -0.03 0.06 0.02 -0.36 0.21 0.00 0.00 175.17 175.06 3ls3 s PHE 173 N 0.96 3.18 -0.09 4.23 0.40 -0.24 -0.73 117.98 125.70 3ls3 s PHE 173 Ca 0.11 0.03 -0.01 0.00 -0.60 0.00 0.00 56.93 56.46 3ls3 s PHE 173 Cb -0.13 -1.96 0.03 0.00 0.51 0.00 0.00 43.02 41.47 3ls3 s PHE 173 CO 0.04 0.22 -0.02 0.15 0.70 0.00 0.00 175.22 176.31 3ls3 s LYS 174 N -0.06 0.91 0.08 0.44 -0.14 -0.43 -1.42 119.74 119.12 3ls3 s LYS 174 Ca 0.05 -0.05 0.08 0.00 -1.36 0.00 0.00 55.97 54.69 3ls3 s LYS 174 Cb -0.13 -1.26 -0.03 0.00 -1.68 0.00 0.00 37.83 34.74 3ls3 s LYS 174 CO 0.02 -0.32 -0.22 0.99 -0.76 0.00 0.00 175.35 175.06 3ls3 s THR 175 N 1.88 1.79 -0.11 2.17 2.01 -0.28 -1.22 115.64 121.88 3ls3 s THR 175 Ca 0.04 -1.42 0.04 0.00 0.31 0.00 0.00 61.69 60.66 3ls3 s THR 175 Cb -0.13 -1.59 0.00 0.00 0.01 0.00 0.00 72.50 70.80 3ls3 s THR 175 CO -0.06 0.09 -0.23 -0.89 -0.69 0.00 0.00 174.62 172.83 3ls3 s THR 176 N -0.98 2.07 -0.13 -0.82 2.01 0.06 -0.82 115.64 117.03 3ls3 s THR 176 Ca 0.08 -1.01 -0.03 0.00 0.31 0.00 0.00 61.69 61.05 3ls3 s THR 176 Cb -0.10 -1.79 -0.03 0.00 0.01 0.00 0.00 72.50 70.59 3ls3 s THR 176 CO 0.03 0.56 -0.02 -0.31 -0.69 0.00 0.00 174.62 174.19 3ls3 s TYR 177 N 0.44 3.06 -0.28 4.92 2.02 0.15 -1.63 117.35 126.03 3ls3 s TYR 177 Ca -0.16 -0.09 -0.00 0.00 -0.37 0.00 0.00 57.07 56.45 3ls3 s TYR 177 Cb -0.17 -1.88 0.09 0.00 -0.40 0.00 0.00 41.96 39.59 3ls3 s TYR 177 CO 0.07 0.17 0.05 0.15 -1.57 0.00 0.00 175.55 174.42 3ls3 s LYS 178 N -0.15 1.00 0.46 -0.62 1.02 0.08 -2.40 119.74 119.13 3ls3 s LYS 178 Ca 0.03 -1.07 -0.24 0.00 0.02 0.00 0.00 55.97 54.71 3ls3 s LYS 178 Cb -0.13 -2.30 -0.07 0.00 -0.52 0.00 0.00 37.83 34.81 3ls3 s LYS 178 CO 0.02 -0.85 1.33 0.00 -0.92 0.00 0.00 175.35 174.93 3ls3 s ALA 179 N 1.51 3.11 -0.39 5.17 0.00 -1.26 -1.32 121.76 128.58 3ls3 s ALA 179 Ca 0.05 1.28 0.05 0.00 0.00 0.00 0.00 51.96 53.33 3ls3 s ALA 179 Cb -0.18 -3.52 0.42 0.00 0.00 0.00 0.00 23.12 19.84 3ls3 s ALA 179 CO -0.16 -1.03 1.39 1.63 0.00 0.00 0.00 175.76 177.59 3ls3 n LYS 180 N -0.32 2.35 -3.77 0.00 5.02 -0.31 -4.86 118.16 116.26 3ls3 n LYS 180 Ca 0.06 -1.75 -0.08 0.00 -2.02 0.00 0.00 58.31 54.52 3ls3 n LYS 180 Cb 0.44 -1.78 -0.02 0.00 -0.02 0.00 0.00 35.03 33.64 3ls3 n LYS 180 CO 0.00 0.00 0.00 -1.59 -0.52 0.00 0.00 177.40 175.29 3ls3 s LYS 181 N -1.93 1.62 -0.16 1.97 -2.85 -1.26 -4.86 119.74 112.27 3ls3 s LYS 181 Ca 0.32 -0.90 -0.29 0.00 -1.00 0.00 0.00 55.97 54.10 3ls3 s LYS 181 Cb 0.26 0.58 -0.01 0.00 -2.06 0.00 0.00 37.83 36.60 3ls3 s LYS 181 CO 0.07 -0.73 1.27 0.08 0.10 0.00 0.00 175.35 176.14 3ls3 s VAL 182 N -3.89 4.27 0.19 1.79 1.01 -1.26 -5.01 120.40 117.51 3ls3 s VAL 182 Ca 0.10 1.54 0.03 0.00 0.00 0.00 0.00 61.98 63.65 3ls3 s VAL 182 Cb -0.04 -3.99 -0.05 0.00 0.00 0.00 0.00 36.38 32.30 3ls3 s VAL 182 CO 0.02 -0.13 -0.03 0.68 0.00 0.00 0.00 175.10 175.64 3ls3 s VAL 183 N 3.48 1.00 0.18 2.92 -7.23 -1.26 -5.04 120.40 114.45 3ls3 s VAL 183 Ca 0.55 -2.03 -0.30 0.00 -1.81 0.00 0.00 61.98 58.39 3ls3 s VAL 183 Cb -0.22 -2.16 -0.08 0.00 0.56 0.00 0.00 36.38 34.49 3ls3 s VAL 183 CO 0.15 -0.48 1.03 -1.58 -0.31 0.00 0.00 175.10 173.91 3ls3 s GLN 184 N -3.84 4.68 0.09 4.82 0.74 -1.26 -5.03 119.66 119.86 3ls3 s GLN 184 Ca 0.24 1.61 -0.20 0.00 0.05 0.00 0.00 55.36 57.06 3ls3 s GLN 184 Cb 0.05 -3.30 -0.07 0.00 1.10 0.00 0.00 33.01 30.79 3ls3 s GLN 184 CO 0.05 0.21 0.60 -0.51 -0.55 0.00 0.00 175.29 175.09 3ls3 s LEU 185 N -0.53 4.54 0.69 3.68 1.43 -1.26 -4.65 118.68 122.58 3ls3 s LEU 185 Ca 0.47 1.32 -0.10 0.00 -1.03 0.00 0.00 54.13 54.78 3ls3 s LEU 185 Cb -0.27 -2.96 0.02 0.00 0.03 0.00 0.00 46.19 43.01 3ls3 s LEU 185 CO 0.34 0.26 1.06 -2.16 0.23 0.00 0.00 176.35 176.08 3ls3 s PRO 186 N -1.10 2.82 0.67 1.29 0.04 -1.26 -4.98 135.00 132.48 3ls3 s PRO 186 Ca 0.30 0.34 -0.08 0.00 0.04 0.00 0.00 61.00 61.60 3ls3 s PRO 186 Cb -0.20 -2.07 0.03 0.00 0.04 0.00 0.00 34.50 32.30 3ls3 s PRO 186 CO 0.20 -1.00 1.01 -0.51 0.04 0.00 0.00 177.00 176.74 3ls3 s ASP 187 N -4.36 5.22 0.19 6.66 1.01 -1.26 -4.59 116.67 119.54 3ls3 s ASP 187 Ca 0.58 0.75 -0.33 0.00 0.71 0.00 0.00 52.55 54.26 3ls3 s ASP 187 Cb -0.11 -1.55 -0.15 0.00 1.01 0.00 0.00 42.92 42.13 3ls3 s ASP 187 CO 0.50 -1.37 1.32 0.00 0.21 0.00 0.00 175.17 175.83 3ls3 n TYR 188 N -2.86 1.77 -3.88 4.23 4.19 -1.26 -4.87 117.16 114.47 3ls3 n TYR 188 Ca 0.06 0.53 -0.11 0.00 3.31 0.00 0.00 57.90 61.70 3ls3 n TYR 188 Cb 0.59 -2.38 0.01 0.00 0.49 0.00 0.00 39.34 38.04 3ls3 n TYR 188 CO 0.00 0.00 0.00 -3.38 0.91 0.00 0.00 176.86 174.39 3ls3 s HIS 189 N 0.03 0.40 0.24 2.98 -3.43 -0.90 -4.95 115.29 109.65 3ls3 s HIS 189 Ca 0.73 -0.98 0.12 0.00 -0.80 0.00 0.00 55.06 54.13 3ls3 s HIS 189 Cb -0.76 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 30.95 3ls3 s HIS 189 CO 0.49 -1.49 -0.22 -1.12 -2.00 0.00 0.00 174.74 170.41 3ls3 s SER 190 N -3.13 3.50 -0.07 7.38 0.01 -0.29 -0.44 113.70 120.67 3ls3 s SER 190 Ca 0.20 -0.95 -0.00 0.00 1.31 0.00 0.00 55.95 56.51 3ls3 s SER 190 Cb -0.04 -0.28 0.02 0.00 0.21 0.00 0.00 66.02 65.94 3ls3 s SER 190 CO 0.14 0.08 -0.04 -0.69 0.41 0.00 0.00 173.24 173.15 3ls3 s VAL 191 N -2.10 0.60 0.01 3.43 1.01 -0.10 -0.79 120.40 122.46 3ls3 s VAL 191 Ca 0.25 -0.07 -0.16 0.00 0.00 0.00 0.00 61.98 62.00 3ls3 s VAL 191 Cb -0.06 -0.67 -0.06 0.00 0.00 0.00 0.00 36.38 35.59 3ls3 s VAL 191 CO 0.12 0.27 0.45 -1.81 0.00 0.00 0.00 175.10 174.14 3ls3 s ASP 192 N 1.49 6.87 0.08 3.32 1.01 -0.07 -0.55 116.67 128.82 3ls3 s ASP 192 Ca -0.02 1.03 0.04 0.00 0.71 0.00 0.00 52.55 54.32 3ls3 s ASP 192 Cb -0.13 -2.28 -0.03 0.00 1.01 0.00 0.00 42.92 41.49 3ls3 s ASP 192 CO -0.04 0.29 -0.12 -1.00 0.21 0.00 0.00 175.17 174.52 3ls3 s HIS 193 N -0.98 1.13 -0.06 4.23 3.76 -0.00 -1.01 115.29 122.35 3ls3 s HIS 193 Ca 0.25 -0.53 -0.00 0.00 -0.15 0.00 0.00 55.06 54.63 3ls3 s HIS 193 Cb -0.17 -0.63 0.02 0.00 1.11 0.00 0.00 32.58 32.91 3ls3 s HIS 193 CO 0.15 0.04 -0.03 -1.58 -0.85 0.00 0.00 174.74 172.46 3ls3 s HIS 194 N -1.74 0.80 0.00 1.40 2.46 -0.20 -1.55 115.29 116.47 3ls3 s HIS 194 Ca 0.01 -0.25 0.07 0.00 0.47 0.00 0.00 55.06 55.36 3ls3 s HIS 194 Cb -0.07 -0.79 -0.02 0.00 -0.13 0.00 0.00 32.58 31.57 3ls3 s HIS 194 CO 0.02 -0.29 -0.23 -1.50 -2.47 0.00 0.00 174.74 170.27 3ls3 s ILE 195 N 1.45 1.85 -0.09 0.89 2.07 -1.26 -1.03 121.20 125.08 3ls3 s ILE 195 Ca -0.03 -1.08 -0.06 0.00 -1.41 0.00 0.00 60.65 58.07 3ls3 s ILE 195 Cb -0.13 -1.56 0.04 0.00 0.13 0.00 0.00 42.46 40.94 3ls3 s ILE 195 CO -0.03 0.45 0.22 -0.70 -1.91 0.00 0.00 174.94 172.97 3ls3 s GLU 196 N -0.75 0.20 -0.29 3.50 2.12 -0.34 -4.59 118.70 118.55 3ls3 s GLU 196 Ca 0.09 0.42 -0.28 0.00 0.36 0.00 0.00 54.97 55.57 3ls3 s GLU 196 Cb -0.09 -0.04 0.01 0.00 0.26 0.00 0.00 34.13 34.27 3ls3 s GLU 196 CO -0.00 -0.11 0.99 0.42 -0.54 0.00 0.00 175.26 176.01 3ls3 s ILE 197 N 0.83 4.63 -0.06 -3.70 1.01 -1.26 -1.20 121.20 121.45 3ls3 s ILE 197 Ca -0.06 1.68 -0.10 0.00 0.00 0.00 0.00 60.65 62.17 3ls3 s ILE 197 Cb -0.07 -4.31 -0.30 0.00 0.01 0.00 0.00 42.46 37.78 3ls3 s ILE 197 CO -0.05 -0.33 0.62 0.40 0.00 0.00 0.00 174.94 175.58 3ls3 h ILE 198 N 5.61 0.88 -3.10 2.92 1.08 -0.85 -3.48 117.51 120.57 3ls3 h ILE 198 Ca -0.21 -2.48 -0.09 0.00 -0.39 0.00 0.00 64.86 61.69 3ls3 h ILE 198 Cb 1.07 2.72 -0.17 0.00 -3.07 0.00 0.00 36.82 37.37 3ls3 h ILE 198 CO 0.98 0.87 -0.17 -0.94 -0.69 0.00 0.00 178.15 178.19 3ls3 s SER 199 N -7.26 -0.22 0.03 1.72 1.04 -1.18 -5.01 113.70 102.82 3ls3 s SER 199 Ca -0.17 -0.04 -0.24 0.00 0.48 0.00 0.00 55.95 55.97 3ls3 s SER 199 Cb 0.06 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.62 3ls3 s SER 199 CO 0.84 -0.61 0.56 -1.38 0.98 0.00 0.00 173.24 173.63 3ls3 s HIS 200 N -2.30 -0.49 0.76 5.02 -3.43 -1.26 -0.98 115.29 112.61 3ls3 s HIS 200 Ca -0.07 0.62 -0.09 0.00 -0.80 0.00 0.00 55.06 54.72 3ls3 s HIS 200 Cb -0.01 0.38 0.08 0.00 -1.43 0.00 0.00 32.58 31.59 3ls3 s HIS 200 CO -0.01 -0.65 1.10 0.16 -2.00 0.00 0.00 174.74 173.34 3ls3 s ASP 201 N -1.83 4.59 0.28 7.38 1.47 -0.81 -4.95 116.67 122.78 3ls3 s ASP 201 Ca -0.06 0.58 0.01 0.00 1.18 0.00 0.00 52.55 54.26 3ls3 s ASP 201 Cb -0.01 -1.12 0.63 0.00 -0.34 0.00 0.00 42.92 42.08 3ls3 s ASP 201 CO 0.00 -1.80 1.71 0.50 0.68 0.00 0.00 175.17 176.27 3ls3 h LYS 202 N -0.85 0.42 -0.45 2.11 1.63 -2.02 -1.34 116.57 116.07 3ls3 h LYS 202 Ca -0.45 -0.03 0.00 0.00 -0.85 0.00 0.00 60.65 59.32 3ls3 h LYS 202 Cb 1.32 -0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.85 3ls3 h LYS 202 CO 0.61 0.28 0.00 -0.40 -3.45 0.00 0.00 179.45 176.49 3ls3 n ASP 203 N -5.02 4.25 -1.80 4.20 5.68 -1.26 -4.95 116.55 117.66 3ls3 n ASP 203 Ca 0.19 -2.62 -0.20 0.00 -0.50 0.00 0.00 54.79 51.66 3ls3 n ASP 203 Cb 0.56 -0.52 -0.06 0.00 -1.14 0.00 0.00 41.12 39.97 3ls3 n ASP 203 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 3ls3 n TYR 204 N 0.38 -0.33 0.29 2.11 4.02 -0.51 -4.32 117.16 118.80 3ls3 n TYR 204 Ca 0.22 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.26 3ls3 n TYR 204 Cb 0.85 -3.54 0.86 0.00 -0.02 0.00 0.00 39.34 37.48 3ls3 n TYR 204 CO 0.00 0.00 0.00 0.77 -1.01 0.00 0.00 176.86 176.62 3ls3 h SER 205 N 0.00 0.00 -3.27 7.72 0.02 -1.92 -3.41 113.55 112.69 3ls3 h SER 205 Ca -0.43 0.00 -0.43 0.00 -0.84 0.00 0.00 61.79 60.09 3ls3 h SER 205 Cb 1.33 0.00 -0.38 0.00 0.14 0.00 0.00 62.40 63.49 3ls3 h SER 205 CO 0.59 0.06 -0.76 0.20 -1.14 0.00 0.00 176.83 175.77 3ls3 s ASN 206 N -5.97 1.49 -0.01 3.07 0.01 -1.26 -1.21 114.94 111.06 3ls3 s ASN 206 Ca -0.04 -0.07 0.01 0.00 -0.71 0.00 0.00 52.86 52.06 3ls3 s ASN 206 Cb 0.13 -0.41 0.00 0.00 0.41 0.00 0.00 41.25 41.38 3ls3 s ASN 206 CO 0.54 -0.19 -0.05 -0.69 -1.51 0.00 0.00 177.10 175.21 3ls3 s VAL 207 N 1.92 0.42 -0.17 1.60 1.01 -0.58 -1.93 120.40 122.67 3ls3 s VAL 207 Ca 0.04 -0.19 -0.02 0.00 0.00 0.00 0.00 61.98 61.81 3ls3 s VAL 207 Cb -0.12 -0.38 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 3ls3 s VAL 207 CO -0.05 0.14 -0.08 0.21 0.00 0.00 0.00 175.10 175.32 3ls3 s ASN 208 N 0.12 4.27 -0.04 3.32 3.04 -0.15 -0.65 114.94 124.85 3ls3 s ASN 208 Ca -0.01 -0.31 0.06 0.00 0.04 0.00 0.00 52.86 52.64 3ls3 s ASN 208 Cb -0.05 -1.69 -0.01 0.00 -1.54 0.00 0.00 41.25 37.96 3ls3 s ASN 208 CO -0.00 0.10 -0.23 -0.22 -3.04 0.00 0.00 177.10 173.71 3ls3 s LEU 209 N 0.77 2.03 0.13 3.21 2.96 -0.19 -0.08 118.68 127.50 3ls3 s LEU 209 Ca -0.03 -0.45 0.11 0.00 -0.22 0.00 0.00 54.13 53.54 3ls3 s LEU 209 Cb -0.15 -1.23 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 3ls3 s LEU 209 CO 0.02 0.24 -0.26 -1.00 -1.32 0.00 0.00 176.35 174.02 3ls3 s HIS 210 N -0.25 2.26 -0.02 5.38 3.76 -0.34 -0.75 115.29 125.33 3ls3 s HIS 210 Ca 0.01 -0.38 -0.02 0.00 -0.15 0.00 0.00 55.06 54.51 3ls3 s HIS 210 Cb -0.12 -1.22 0.00 0.00 1.11 0.00 0.00 32.58 32.35 3ls3 s HIS 210 CO 0.02 0.33 0.05 -2.00 -0.85 0.00 0.00 174.74 172.29 3ls3 s GLU 211 N -2.05 0.08 -0.01 1.40 2.12 -0.60 -1.20 118.70 118.44 3ls3 s GLU 211 Ca 0.13 0.05 0.07 0.00 0.36 0.00 0.00 54.97 55.58 3ls3 s GLU 211 Cb -0.10 0.04 -0.02 0.00 0.26 0.00 0.00 34.13 34.31 3ls3 s GLU 211 CO 0.06 -0.01 -0.21 -1.01 -0.54 0.00 0.00 175.26 173.54 3ls3 s HIS 212 N -0.03 1.91 -0.06 5.30 3.76 -0.19 -1.40 115.29 124.57 3ls3 s HIS 212 Ca -0.01 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.47 3ls3 s HIS 212 Cb -0.01 -1.23 0.02 0.00 1.11 0.00 0.00 32.58 32.47 3ls3 s HIS 212 CO 0.00 -0.03 0.20 0.00 -0.85 0.00 0.00 174.74 174.06 3ls3 s ALA 213 N -0.51 -0.49 -0.04 -1.40 0.00 0.30 -1.03 121.76 118.59 3ls3 s ALA 213 Ca 0.08 0.48 -0.02 0.00 0.00 0.00 0.00 51.96 52.50 3ls3 s ALA 213 Cb -0.08 -0.27 0.03 0.00 0.00 0.00 0.00 23.12 22.80 3ls3 s ALA 213 CO -0.01 -0.11 0.09 -2.00 0.00 0.00 0.00 175.76 173.73 3ls3 s GLU 214 N -0.11 0.04 0.26 0.00 2.12 -0.18 -1.27 118.70 119.56 3ls3 s GLU 214 Ca -0.02 0.27 -0.19 0.00 0.36 0.00 0.00 54.97 55.38 3ls3 s GLU 214 Cb -0.02 -0.18 -0.09 0.00 0.26 0.00 0.00 34.13 34.10 3ls3 s GLU 214 CO 0.01 -0.15 0.75 0.00 -0.54 0.00 0.00 175.26 175.33 3ls3 s ALA 215 N 0.99 3.36 0.04 6.30 0.00 -0.22 -0.89 121.76 131.35 3ls3 s ALA 215 Ca -0.08 0.17 -0.03 0.00 0.00 0.00 0.00 51.96 52.02 3ls3 s ALA 215 Cb -0.11 -2.85 -0.02 0.00 0.00 0.00 0.00 23.12 20.15 3ls3 s ALA 215 CO -0.04 0.31 0.04 -1.01 0.00 0.00 0.00 175.76 175.06 3ls3 s HIS 216 N -1.66 0.28 0.00 0.00 0.09 0.03 -4.52 115.29 109.52 3ls3 s HIS 216 Ca 0.47 -0.63 0.00 0.00 -0.00 0.00 0.00 55.06 54.90 3ls3 s HIS 216 Cb -0.15 -0.21 0.00 0.00 -0.00 0.00 0.00 32.58 32.22 3ls3 s HIS 216 CO 0.20 -0.33 0.51 -1.13 -0.00 0.00 0.00 174.74 173.99 3ls3 n SER 217 N 0.81 0.00 -0.21 1.40 3.41 -1.26 -1.13 113.62 116.63 3ls3 n SER 217 Ca -0.19 -1.14 0.03 0.00 -0.26 0.00 0.00 58.87 57.31 3ls3 n SER 217 Cb 0.58 -0.03 0.02 0.00 -0.26 0.00 0.00 64.21 64.53 3ls3 n SER 217 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26