#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x7m s VAL -5 N 0.00 2.47 0.04 4.08 1.01 -1.26 -4.87 120.40 121.87 2x7m s VAL -5 Ca 0.00 0.37 -0.34 0.00 0.00 0.00 0.00 61.98 62.01 2x7m s VAL -5 Cb 0.00 -3.24 -0.13 0.00 0.00 0.00 0.00 36.38 33.01 2x7m s VAL -5 CO 0.00 0.05 1.72 -2.65 0.00 0.00 0.00 175.10 174.21 2x7m n PRO -4 N 2.99 2.13 -1.63 2.72 -0.02 -1.26 -4.82 135.00 135.10 2x7m n PRO -4 Ca 0.10 0.77 -0.49 0.00 -2.02 0.00 0.00 63.50 61.87 2x7m n PRO -4 Cb 0.39 -2.57 -0.05 0.00 -0.02 0.00 0.00 33.50 31.25 2x7m n PRO -4 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2x7m n ARG -3 N 4.93 1.63 -0.85 -0.52 3.00 -1.26 -1.16 116.66 122.42 2x7m n ARG -3 Ca 0.20 0.58 0.00 0.00 -0.00 0.00 0.00 57.85 58.63 2x7m n ARG -3 Cb 0.29 -2.26 0.00 0.00 0.00 0.00 0.00 32.46 30.49 2x7m n ARG -3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2x7m n GLY -2 N 2.74 0.69 0.02 5.14 0.00 -1.26 -4.88 105.19 107.65 2x7m n GLY -2 Ca 0.17 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.31 2x7m n GLY -2 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2x7m n SER -1 N 0.00 0.48 -4.22 1.61 3.41 -0.31 -4.61 113.62 109.97 2x7m n SER -1 Ca 0.00 0.04 -0.37 0.00 -0.26 0.00 0.00 58.87 58.28 2x7m n SER -1 Cb 0.00 0.03 -0.12 0.00 -0.26 0.00 0.00 64.21 63.85 2x7m n SER -1 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 2x7m s HIS 0 N -3.05 3.31 0.13 7.33 3.76 -1.26 -4.71 115.29 120.78 2x7m s HIS 0 Ca 0.10 -1.69 -0.31 0.00 -0.15 0.00 0.00 55.06 53.01 2x7m s HIS 0 Cb 0.16 -2.41 -0.08 0.00 1.11 0.00 0.00 32.58 31.37 2x7m s HIS 0 CO 0.67 -0.79 1.37 -1.64 -0.85 0.00 0.00 174.74 173.50 2x7m s MET 1 N 1.33 4.33 -0.44 1.40 -1.94 -1.26 -4.83 119.30 117.89 2x7m s MET 1 Ca -0.01 2.07 -0.20 0.00 -1.71 0.00 0.00 55.69 55.84 2x7m s MET 1 Cb -0.20 -3.24 0.02 0.00 2.01 0.00 0.00 34.83 33.42 2x7m s MET 1 CO 0.01 -0.40 0.58 0.15 -0.01 0.00 0.00 175.02 175.34 2x7m s LYS 2 N 0.89 3.21 -0.08 2.03 1.02 -1.26 -1.60 119.74 123.95 2x7m s LYS 2 Ca 0.63 -0.52 -0.00 0.00 0.02 0.00 0.00 55.97 56.10 2x7m s LYS 2 Cb -0.37 -3.96 -0.03 0.00 -0.52 0.00 0.00 37.83 32.95 2x7m s LYS 2 CO 0.32 -0.97 -0.04 -0.51 -0.92 0.00 0.00 175.35 173.22 2x7m s LEU 3 N 2.59 3.32 -0.18 3.17 1.02 -0.57 -0.17 118.68 127.85 2x7m s LEU 3 Ca 0.19 0.03 -0.00 0.00 0.02 0.00 0.00 54.13 54.37 2x7m s LEU 3 Cb -0.15 -1.74 0.01 0.00 0.02 0.00 0.00 46.19 44.33 2x7m s LEU 3 CO 0.17 0.36 -0.15 0.00 0.02 0.00 0.00 176.35 176.76 2x7m s LEU 5 N 1.18 3.86 -0.20 0.00 2.01 0.63 0.01 118.68 126.17 2x7m s LEU 5 Ca 0.02 -0.06 -0.02 0.00 0.01 0.00 0.00 54.13 54.08 2x7m s LEU 5 Cb -0.14 -2.06 0.00 0.00 0.01 0.00 0.00 46.19 44.00 2x7m s LEU 5 CO -0.06 -0.04 -0.11 -0.69 1.01 0.00 0.00 176.35 176.46 2x7m s VAL 6 N 1.67 2.87 -0.24 -1.59 1.01 0.59 -0.56 120.40 124.15 2x7m s VAL 6 Ca 0.07 -0.67 -0.17 0.00 0.00 0.00 0.00 61.98 61.21 2x7m s VAL 6 Cb -0.16 -2.27 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 2x7m s VAL 6 CO 0.08 0.47 0.48 0.00 0.00 0.00 0.00 175.10 176.14 2x7m s ALA 7 N 1.29 3.57 -0.92 5.51 0.00 0.10 0.39 121.76 131.70 2x7m s ALA 7 Ca 0.03 -0.58 0.27 0.00 0.00 0.00 0.00 51.96 51.69 2x7m s ALA 7 Cb -0.14 -2.81 0.88 0.00 0.00 0.00 0.00 23.12 21.05 2x7m s ALA 7 CO -0.06 -0.60 1.70 1.19 0.00 0.00 0.00 175.76 178.00 2x7m n PHE 8 N 5.18 0.19 -3.88 0.00 3.01 0.65 -1.34 117.46 121.28 2x7m n PHE 8 Ca -0.05 0.06 -0.08 0.00 1.01 0.00 0.00 57.45 58.38 2x7m n PHE 8 Cb 0.50 -0.51 -0.02 0.00 -0.01 0.00 0.00 39.48 39.44 2x7m n PHE 8 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 2x7m s ASP 9 N -3.35 -0.16 -0.16 4.37 1.47 -1.26 -4.13 116.67 113.44 2x7m s ASP 9 Ca 0.12 -0.76 0.15 0.00 1.18 0.00 0.00 52.55 53.23 2x7m s ASP 9 Cb 0.17 0.72 0.70 0.00 -0.34 0.00 0.00 42.92 44.18 2x7m s ASP 9 CO 0.61 -1.37 1.60 0.61 0.68 0.00 0.00 175.17 177.29 2x7m n GLY 10 N -0.46 2.66 0.80 2.12 0.00 -1.26 -4.28 105.19 104.77 2x7m n GLY 10 Ca -0.04 -0.81 0.04 0.00 0.00 0.00 0.00 46.02 45.21 2x7m n GLY 10 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x7m n ARG 11 N 0.82 2.14 -2.85 1.61 1.74 -1.26 -4.94 116.66 113.91 2x7m n ARG 11 Ca 0.24 -2.94 -0.43 0.00 -0.77 0.00 0.00 57.85 53.96 2x7m n ARG 11 Cb 0.96 -1.75 -0.04 0.00 -1.02 0.00 0.00 32.46 30.61 2x7m n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 2x7m s ILE 12 N -3.01 4.57 0.32 0.55 1.01 -1.26 -4.75 121.20 118.64 2x7m s ILE 12 Ca 0.41 0.88 -0.29 0.00 0.00 0.00 0.00 60.65 61.65 2x7m s ILE 12 Cb 0.35 -4.35 -0.11 0.00 0.01 0.00 0.00 42.46 38.37 2x7m s ILE 12 CO 0.04 -0.66 1.46 -2.84 0.00 0.00 0.00 174.94 172.94 2x7m s PRO 13 N 3.50 4.20 -1.49 2.79 0.02 -1.26 -3.03 135.00 139.74 2x7m s PRO 13 Ca 0.36 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.69 2x7m s PRO 13 Cb -0.11 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.44 2x7m s PRO 13 CO 0.22 -0.45 0.97 -1.33 -0.33 0.00 0.00 177.00 176.07 2x7m n MET 14 N 1.26 -5.81 -0.22 5.54 2.81 -1.26 -4.87 117.12 114.56 2x7m n MET 14 Ca 0.03 0.65 0.03 0.00 -1.81 0.00 0.00 57.70 56.60 2x7m n MET 14 Cb 0.40 -5.57 0.14 0.00 -0.71 0.00 0.00 33.22 27.48 2x7m n MET 14 CO 0.00 0.00 0.00 1.25 1.51 0.00 0.00 175.97 178.73 2x7m h LEU 15 N -2.09 0.13 -0.94 4.03 5.85 -1.98 0.22 115.31 120.53 2x7m h LEU 15 Ca -0.56 0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.19 2x7m h LEU 15 Cb 1.37 0.12 -0.02 0.00 0.37 0.00 0.00 40.66 42.50 2x7m h LEU 15 CO 0.64 0.05 0.01 0.77 -0.34 0.00 0.00 178.44 179.57 2x7m h SER 16 N 0.34 0.75 -0.23 1.25 4.64 -1.90 -1.13 113.55 117.27 2x7m h SER 16 Ca 0.36 -0.17 -0.17 0.00 -0.47 0.00 0.00 61.79 61.34 2x7m h SER 16 Cb 0.53 -0.20 -0.00 0.00 -0.31 0.00 0.00 62.40 62.42 2x7m h SER 16 CO -0.40 0.81 -0.47 0.28 -0.87 0.00 0.00 176.83 176.18 2x7m h SER 17 N 0.74 0.87 -0.28 4.97 0.02 -1.64 -1.05 113.55 117.18 2x7m h SER 17 Ca 0.15 -0.43 0.02 0.00 -0.84 0.00 0.00 61.79 60.69 2x7m h SER 17 Cb 0.43 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.70 2x7m h SER 17 CO 0.02 1.20 0.11 0.40 -1.14 0.00 0.00 176.83 177.42 2x7m h ILE 18 N 0.63 0.95 -0.29 3.27 2.04 -0.34 0.91 117.51 124.69 2x7m h ILE 18 Ca 0.03 -0.09 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 2x7m h ILE 18 Cb 1.05 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.81 2x7m h ILE 18 CO 0.10 0.05 -0.10 0.58 0.00 0.00 0.00 178.15 178.78 2x7m h VAL 19 N 0.25 1.29 -0.32 1.67 2.07 -1.10 0.17 116.25 120.28 2x7m h VAL 19 Ca 0.12 -1.16 0.02 0.00 0.82 0.00 0.00 66.70 66.50 2x7m h VAL 19 Cb 0.07 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.25 2x7m h VAL 19 CO -0.11 0.37 0.16 0.44 0.02 0.00 0.00 177.57 178.45 2x7m h ASP 20 N 0.33 0.24 -0.30 0.57 3.32 -0.95 0.54 116.42 120.16 2x7m h ASP 20 Ca 0.07 0.01 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 2x7m h ASP 20 Cb 0.59 -0.03 -0.00 0.00 0.22 0.00 0.00 39.33 40.11 2x7m h ASP 20 CO 0.03 0.18 -0.39 0.03 -1.72 0.00 0.00 179.24 177.37 2x7m h ARG 21 N 0.34 0.80 -0.45 3.56 3.08 -0.65 -1.95 114.38 119.11 2x7m h ARG 21 Ca 0.13 -0.46 -0.02 0.00 0.07 0.00 0.00 59.98 59.71 2x7m h ARG 21 Cb 0.04 0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.11 2x7m h ARG 21 CO -0.09 1.09 0.21 0.35 -1.07 0.00 0.00 179.97 180.46 2x7m h PHE 22 N 0.57 0.66 -0.52 3.04 3.57 -0.44 0.12 116.94 123.93 2x7m h PHE 22 Ca 0.04 -0.04 0.04 0.00 3.53 0.00 0.00 57.97 61.54 2x7m h PHE 22 Cb 0.99 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 39.48 2x7m h PHE 22 CO 0.07 0.54 0.28 1.49 -2.23 0.00 0.00 178.31 178.46 2x7m h GLU 23 N 0.59 0.53 -0.44 1.11 4.81 -0.78 -0.49 114.58 119.91 2x7m h GLU 23 Ca 0.15 -0.03 -0.08 0.00 -0.13 0.00 0.00 59.36 59.27 2x7m h GLU 23 Cb 0.13 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.38 2x7m h GLU 23 CO -0.02 0.35 -0.03 1.49 -0.73 0.00 0.00 179.01 180.08 2x7m h GLU 24 N 0.55 0.80 -0.17 1.92 4.57 -1.02 -2.75 114.58 118.47 2x7m h GLU 24 Ca 0.22 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 58.11 2x7m h GLU 24 Cb 0.10 -0.06 -0.01 0.00 -0.16 0.00 0.00 28.75 28.62 2x7m h GLU 24 CO -0.14 0.87 0.02 1.25 -1.18 0.00 0.00 179.01 179.84 2x7m h HIS 25 N 0.64 0.30 0.00 0.92 2.76 -0.12 -2.94 115.15 116.71 2x7m h HIS 25 Ca 0.12 -0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2x7m h HIS 25 Cb 0.53 -0.08 0.00 0.00 1.55 0.00 0.00 27.41 29.41 2x7m h HIS 25 CO 0.04 0.46 0.00 -0.39 -1.30 0.00 0.00 177.93 176.74 2x7m h VAL 26 N 0.06 0.00 -0.01 5.26 -1.51 -1.13 -2.75 116.25 116.17 2x7m h VAL 26 Ca 0.05 -0.60 0.00 0.00 -1.23 0.00 0.00 66.70 64.92 2x7m h VAL 26 Cb 0.32 1.56 -0.00 0.00 -2.13 0.00 0.00 31.29 31.04 2x7m h VAL 26 CO 0.00 0.00 0.01 0.77 -1.23 0.00 0.00 177.57 177.12 2x7m h SER 27 N 0.00 0.00 -0.74 4.19 4.64 -1.29 0.11 113.55 120.46 2x7m h SER 27 Ca 0.00 0.00 0.07 0.00 -0.47 0.00 0.00 61.79 61.39 2x7m h SER 27 Cb 0.74 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.79 2x7m h SER 27 CO 0.00 0.00 0.49 -0.08 -0.87 0.00 0.00 176.83 176.37 2x7m h GLU 28 N 0.00 0.76 0.01 4.77 4.81 -1.60 0.18 114.58 123.51 2x7m h GLU 28 Ca 0.00 -0.05 -0.36 0.00 -0.13 0.00 0.00 59.36 58.82 2x7m h GLU 28 Cb 0.02 -0.17 -0.06 0.00 0.63 0.00 0.00 28.75 29.17 2x7m h GLU 28 CO -0.00 0.50 -2.27 0.66 -0.73 0.00 0.00 179.01 177.17 2x7m n TYR 29 N -4.48 0.29 0.80 0.92 4.01 -0.24 -4.53 117.16 113.93 2x7m n TYR 29 Ca 0.11 0.08 0.09 0.00 -0.16 0.00 0.00 57.90 58.02 2x7m n TYR 29 Cb 0.23 -1.05 -0.02 0.00 -0.31 0.00 0.00 39.34 38.19 2x7m n TYR 29 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 2x7m n LEU 30 N -3.04 1.52 0.00 7.72 4.77 0.23 -4.92 117.00 123.28 2x7m n LEU 30 Ca -0.35 -0.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.93 2x7m n LEU 30 Cb 1.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 42.17 2x7m n LEU 30 CO 0.38 0.30 0.00 0.61 -1.33 0.00 0.00 177.39 177.35 2x7m n GLY 31 N 1.27 -1.24 3.67 -0.72 0.00 0.64 -4.68 105.19 104.12 2x7m n GLY 31 Ca 0.06 -1.59 -0.47 0.00 0.00 0.00 0.00 46.02 44.02 2x7m n GLY 31 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2x7m n GLU 32 N -1.25 2.30 -4.21 1.61 2.13 -1.26 -4.10 120.64 115.87 2x7m n GLU 32 Ca 0.00 0.84 -0.34 0.00 0.66 0.00 0.00 57.16 58.32 2x7m n GLU 32 Cb 0.00 -2.73 -0.08 0.00 0.27 0.00 0.00 31.44 28.90 2x7m n GLU 32 CO 0.00 0.00 0.00 0.14 -0.41 0.00 0.00 177.13 176.86 2x7m s VAL 33 N 4.31 4.56 -0.49 6.31 -7.23 -1.26 -4.23 120.40 122.37 2x7m s VAL 33 Ca 0.93 -0.32 -0.18 0.00 -1.81 0.00 0.00 61.98 60.60 2x7m s VAL 33 Cb -0.64 -3.01 0.06 0.00 0.56 0.00 0.00 36.38 33.35 2x7m s VAL 33 CO 0.50 0.47 0.54 -0.54 -0.31 0.00 0.00 175.10 175.76 2x7m s LYS 34 N -1.33 3.08 0.09 4.82 -0.14 -0.63 -4.99 119.74 120.64 2x7m s LYS 34 Ca 0.18 -1.01 -0.13 0.00 -1.36 0.00 0.00 55.97 53.65 2x7m s LYS 34 Cb -0.12 -4.10 -0.06 0.00 -1.68 0.00 0.00 37.83 31.88 2x7m s LYS 34 CO 0.08 -1.13 0.46 0.08 -0.76 0.00 0.00 175.35 174.08 2x7m s VAL 35 N 2.29 4.98 -0.03 3.17 1.01 -1.26 -1.52 120.40 129.05 2x7m s VAL 35 Ca 0.12 0.68 0.03 0.00 0.00 0.00 0.00 61.98 62.80 2x7m s VAL 35 Cb -0.20 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.48 2x7m s VAL 35 CO 0.11 0.33 -0.11 -0.54 0.00 0.00 0.00 175.10 174.89 2x7m s LYS 36 N -1.77 1.12 -0.15 2.72 -0.14 -0.18 -4.97 119.74 116.38 2x7m s LYS 36 Ca 0.33 -0.36 -0.10 0.00 -1.36 0.00 0.00 55.97 54.48 2x7m s LYS 36 Cb -0.15 -1.02 -0.05 0.00 -1.68 0.00 0.00 37.83 34.93 2x7m s LYS 36 CO 0.18 0.13 0.19 0.15 -0.76 0.00 0.00 175.35 175.24 2x7m s LYS 37 N 0.17 3.93 0.23 1.68 1.02 -1.26 -0.27 119.74 125.25 2x7m s LYS 37 Ca -0.03 -0.07 0.01 0.00 0.02 0.00 0.00 55.97 55.90 2x7m s LYS 37 Cb -0.09 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.84 2x7m s LYS 37 CO 0.01 0.48 0.09 0.15 -0.92 0.00 0.00 175.35 175.15 2x7m s LYS 38 N -0.20 1.32 0.16 1.68 -0.14 0.27 -4.94 119.74 117.90 2x7m s LYS 38 Ca 0.13 -1.70 0.07 0.00 -1.36 0.00 0.00 55.97 53.12 2x7m s LYS 38 Cb -0.12 -0.18 -0.04 0.00 -1.68 0.00 0.00 37.83 35.81 2x7m s LYS 38 CO 0.03 -0.28 -0.03 1.03 -0.76 0.00 0.00 175.35 175.33 2x7m s ARG 39 N -4.03 2.30 0.05 1.68 0.52 -1.26 0.02 118.95 118.23 2x7m s ARG 39 Ca 0.35 -1.11 -0.02 0.00 -0.52 0.00 0.00 55.73 54.43 2x7m s ARG 39 Cb 0.07 -2.32 -0.03 0.00 0.52 0.00 0.00 34.95 33.19 2x7m s ARG 39 CO 0.12 0.46 0.00 0.00 0.02 0.00 0.00 175.30 175.90 2x7m s ALA 40 N -1.62 0.31 -0.00 2.13 0.00 -0.45 -4.82 121.76 117.31 2x7m s ALA 40 Ca 0.26 -0.97 -0.21 0.00 0.00 0.00 0.00 51.96 51.03 2x7m s ALA 40 Cb -0.10 0.26 -0.05 0.00 0.00 0.00 0.00 23.12 23.24 2x7m s ALA 40 CO 0.17 -0.34 0.62 0.21 0.00 0.00 0.00 175.76 176.42 2x7m s LYS 41 N -3.33 4.34 0.30 0.00 2.20 -1.26 -4.25 119.74 117.75 2x7m s LYS 41 Ca 0.01 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.11 2x7m s LYS 41 Cb 0.04 -3.35 -0.11 0.00 -1.51 0.00 0.00 37.83 32.90 2x7m s LYS 41 CO -0.08 0.34 1.51 -0.51 -0.36 0.00 0.00 175.35 176.25 2x7m s LEU 42 N -0.12 4.36 -0.61 5.43 1.43 -1.26 -4.92 118.68 122.99 2x7m s LEU 42 Ca 0.32 2.88 -0.28 0.00 -1.03 0.00 0.00 54.13 56.03 2x7m s LEU 42 Cb -0.18 -3.64 0.03 0.00 0.03 0.00 0.00 46.19 42.42 2x7m s LEU 42 CO 0.18 -0.82 1.21 -2.16 0.23 0.00 0.00 176.35 174.99 2x7m s PRO 43 N -0.95 3.46 0.51 1.29 0.04 -1.26 -4.87 135.00 133.22 2x7m s PRO 43 Ca 0.59 0.18 0.25 0.00 0.04 0.00 0.00 61.00 62.05 2x7m s PRO 43 Cb -0.45 -4.04 1.37 0.00 0.04 0.00 0.00 34.50 31.42 2x7m s PRO 43 CO 0.51 -1.76 2.06 0.93 0.04 0.00 0.00 177.00 178.78 2x7m h GLU 44 N 9.66 0.00 0.00 4.56 4.39 -1.97 -0.69 114.58 130.53 2x7m h GLU 44 Ca -0.25 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.43 2x7m h GLU 44 Cb 1.06 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.70 2x7m h GLU 44 CO 1.20 0.13 -0.09 1.12 -1.16 0.00 0.00 179.01 180.21 2x7m h HIS 45 N 0.00 0.00 -0.14 4.33 2.07 -2.03 -1.17 115.15 118.21 2x7m h HIS 45 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2x7m h HIS 45 Cb 0.32 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.30 2x7m h HIS 45 CO 0.00 0.09 0.00 0.00 -3.07 0.00 0.00 177.93 174.95 2x7m n ALA 46 N -2.26 2.51 -2.68 6.11 0.00 -0.27 -4.83 120.51 119.09 2x7m n ALA 46 Ca -0.02 -0.61 -0.42 0.00 0.00 0.00 0.00 53.44 52.39 2x7m n ALA 46 Cb 0.22 -1.03 -0.04 0.00 0.00 0.00 0.00 19.45 18.60 2x7m n ALA 46 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 177.50 177.03 2x7m s TYR 47 N -1.83 3.45 -0.35 0.00 5.04 -0.44 -1.49 117.35 121.73 2x7m s TYR 47 Ca 0.34 1.37 -0.19 0.00 -2.44 0.00 0.00 57.07 56.15 2x7m s TYR 47 Cb 0.20 -3.07 -0.00 0.00 0.35 0.00 0.00 41.96 39.44 2x7m s TYR 47 CO 0.30 -0.23 0.58 0.45 -1.34 0.00 0.00 175.55 175.31 2x7m s SER 48 N 1.12 6.38 0.18 4.32 0.15 0.50 -4.94 113.70 121.41 2x7m s SER 48 Ca 0.42 0.09 -0.08 0.00 0.70 0.00 0.00 55.95 57.07 2x7m s SER 48 Cb -0.17 -2.30 0.06 0.00 -1.71 0.00 0.00 66.02 61.90 2x7m s SER 48 CO 0.14 -0.53 1.57 0.11 1.20 0.00 0.00 173.24 175.73 2x7m h LYS 49 N 8.44 0.92 -0.36 5.44 1.57 -1.95 0.22 116.57 130.85 2x7m h LYS 49 Ca -0.27 -0.39 -0.03 0.00 -1.87 0.00 0.00 60.65 58.09 2x7m h LYS 49 Cb 1.12 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 2x7m h LYS 49 CO 0.80 1.05 0.12 0.28 -0.57 0.00 0.00 179.45 181.14 2x7m h VAL 50 N 0.79 1.20 0.00 0.50 2.07 -1.96 -3.10 116.25 115.76 2x7m h VAL 50 Ca 0.10 -0.65 -0.09 0.00 0.82 0.00 0.00 66.70 66.88 2x7m h VAL 50 Cb 0.79 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 31.50 2x7m h VAL 50 CO 0.07 0.23 -0.43 0.03 0.02 0.00 0.00 177.57 177.49 2x7m h ARG 51 N 0.44 0.00 -4.27 1.57 3.08 -1.93 -3.47 114.38 109.80 2x7m h ARG 51 Ca 0.12 0.00 -0.34 0.00 0.07 0.00 0.00 59.98 59.83 2x7m h ARG 51 Cb 0.23 0.00 0.07 0.00 0.08 0.00 0.00 29.97 30.36 2x7m h ARG 51 CO -0.01 0.43 -0.53 0.41 -1.07 0.00 0.00 179.97 179.20 2x7m n GLY 52 N 0.97 -0.33 3.07 0.04 0.00 0.77 -5.00 105.19 104.71 2x7m n GLY 52 Ca 0.02 0.03 -0.09 0.00 0.00 0.00 0.00 46.02 45.98 2x7m n GLY 52 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2x7m s GLN 53 N -5.72 0.54 0.00 1.61 -0.21 -1.14 -4.47 119.66 110.27 2x7m s GLN 53 Ca 0.34 -1.01 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2x7m s GLN 53 Cb -0.15 0.08 -0.04 0.00 1.00 0.00 0.00 33.01 33.90 2x7m s GLN 53 CO 0.42 -0.07 0.09 0.71 -2.12 0.00 0.00 175.29 174.33 2x7m s TYR 54 N -2.91 3.31 -0.13 0.91 2.02 -0.15 -0.37 117.35 120.03 2x7m s TYR 54 Ca -0.01 0.21 -0.29 0.00 -0.37 0.00 0.00 57.07 56.61 2x7m s TYR 54 Cb 0.01 -1.74 -0.04 0.00 -0.40 0.00 0.00 41.96 39.78 2x7m s TYR 54 CO -0.06 0.56 1.68 -0.51 -1.57 0.00 0.00 175.55 175.65 2x7m s LEU 55 N -1.84 4.10 0.29 -1.29 1.43 -0.56 -0.77 118.68 120.05 2x7m s LEU 55 Ca 0.24 1.98 0.01 0.00 -1.03 0.00 0.00 54.13 55.34 2x7m s LEU 55 Cb -0.12 -3.53 0.54 0.00 0.03 0.00 0.00 46.19 43.11 2x7m s LEU 55 CO 0.15 -1.12 1.86 0.00 0.23 0.00 0.00 176.35 177.47 2x7m h ALA 56 N 10.38 1.52 -0.44 4.21 0.00 -1.09 -1.20 119.26 132.64 2x7m h ALA 56 Ca -0.37 0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2x7m h ALA 56 Cb 1.17 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 2x7m h ALA 56 CO 0.97 0.27 0.26 -0.09 0.00 0.00 0.00 179.25 180.66 2x7m h ARG 57 N 1.02 0.59 -0.32 0.00 9.65 -1.90 -0.39 114.38 123.02 2x7m h ARG 57 Ca 0.46 -0.05 -0.07 0.00 -1.10 0.00 0.00 59.98 59.22 2x7m h ARG 57 Cb 0.40 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 2x7m h ARG 57 CO -0.22 0.42 -0.11 0.00 2.80 0.00 0.00 179.97 182.85 2x7m h ALA 58 N 1.68 1.20 -0.51 2.80 0.00 -1.61 0.56 119.26 123.39 2x7m h ALA 58 Ca 0.16 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.69 2x7m h ALA 58 Cb -0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2x7m h ALA 58 CO -0.03 0.51 -0.10 -0.07 0.00 0.00 0.00 179.25 179.56 2x7m h LEU 59 N 0.51 0.92 -0.90 0.00 4.07 -1.03 0.25 115.31 119.13 2x7m h LEU 59 Ca 0.09 -0.29 0.01 0.00 0.08 0.00 0.00 57.88 57.77 2x7m h LEU 59 Cb 0.50 -0.25 -0.04 0.00 1.08 0.00 0.00 40.66 41.95 2x7m h LEU 59 CO 0.03 1.04 0.59 -0.07 -1.08 0.00 0.00 178.44 178.95 2x7m h LEU 60 N 0.83 1.04 -0.78 1.67 3.38 -0.35 0.17 115.31 121.27 2x7m h LEU 60 Ca 0.14 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.05 2x7m h LEU 60 Cb 0.63 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 41.08 2x7m h LEU 60 CO 0.04 0.76 0.40 0.44 0.09 0.00 0.00 178.44 180.18 2x7m h ASP 61 N 1.22 1.00 -0.46 -0.43 3.32 -0.51 0.18 116.42 120.74 2x7m h ASP 61 Ca 0.33 -0.12 0.00 0.00 0.02 0.00 0.00 57.03 57.26 2x7m h ASP 61 Cb -0.13 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.14 2x7m h ASP 61 CO -0.07 0.83 0.29 0.74 -1.72 0.00 0.00 179.24 179.32 2x7m h THR 62 N 1.09 1.13 -0.64 0.35 2.02 -0.05 -1.53 112.91 115.27 2x7m h THR 62 Ca 0.27 -0.25 -0.05 0.00 0.77 0.00 0.00 66.41 67.15 2x7m h THR 62 Cb 0.08 0.48 -0.03 0.00 -1.74 0.00 0.00 68.15 66.94 2x7m h THR 62 CO -0.04 0.12 0.22 -0.07 0.37 0.00 0.00 175.52 176.13 2x7m h LEU 63 N 0.61 0.89 -1.90 2.58 3.38 -0.18 -1.92 115.31 118.78 2x7m h LEU 63 Ca 0.17 -0.14 -0.02 0.00 0.09 0.00 0.00 57.88 57.98 2x7m h LEU 63 Cb -0.05 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.47 2x7m h LEU 63 CO -0.03 0.82 -0.07 -0.09 0.09 0.00 0.00 178.44 179.16 2x7m h ARG 64 N 0.94 0.00 -0.15 1.13 2.43 0.05 -1.75 114.38 117.02 2x7m h ARG 64 Ca 0.21 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.38 2x7m h ARG 64 Cb 0.24 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2x7m h ARG 64 CO -0.01 0.07 0.00 0.41 -1.51 0.00 0.00 179.97 178.93 2x7m n GLY 65 N -1.30 0.08 3.77 2.80 0.00 -0.64 -4.89 105.19 105.02 2x7m n GLY 65 Ca -0.03 -0.36 -0.39 0.00 0.00 0.00 0.00 46.02 45.24 2x7m n GLY 65 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 2x7m s MET 66 N -1.80 4.48 0.75 1.61 -1.94 -0.66 -5.05 119.30 116.69 2x7m s MET 66 Ca 0.30 1.05 -0.12 0.00 -1.71 0.00 0.00 55.69 55.21 2x7m s MET 66 Cb 0.16 -3.29 0.05 0.00 2.01 0.00 0.00 34.83 33.76 2x7m s MET 66 CO 0.24 0.51 1.11 0.15 -0.01 0.00 0.00 175.02 177.01 2x7m s LYS 67 N -0.85 2.30 0.00 2.03 1.02 -1.26 -4.95 119.74 118.03 2x7m s LYS 67 Ca 0.35 1.29 0.00 0.00 0.02 0.00 0.00 55.97 57.63 2x7m s LYS 67 Cb -0.22 -1.89 0.00 0.00 -0.52 0.00 0.00 37.83 35.20 2x7m s LYS 67 CO 0.24 -1.63 0.00 0.41 -0.92 0.00 0.00 175.35 173.45 2x7m n GLY 68 N -0.81 3.15 3.36 -3.33 0.00 -1.26 -4.99 105.19 101.31 2x7m n GLY 68 Ca 0.10 -1.75 -0.42 0.00 0.00 0.00 0.00 46.02 43.94 2x7m n GLY 68 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2x7m s GLU 69 N -3.97 2.84 0.03 1.61 -1.05 -1.26 -5.04 118.70 111.86 2x7m s GLU 69 Ca 0.00 -1.28 0.03 0.00 -0.15 0.00 0.00 54.97 53.58 2x7m s GLU 69 Cb 0.00 -3.94 -0.02 0.00 -0.44 0.00 0.00 34.13 29.74 2x7m s GLU 69 CO 0.00 -0.90 -0.11 0.71 0.95 0.00 0.00 175.26 175.91 2x7m s TYR 70 N 1.57 0.93 0.12 4.83 2.02 -1.26 -4.95 117.35 120.61 2x7m s TYR 70 Ca 0.03 -0.32 -0.09 0.00 -0.37 0.00 0.00 57.07 56.32 2x7m s TYR 70 Cb -0.22 -0.56 -0.12 0.00 -0.40 0.00 0.00 41.96 40.66 2x7m s TYR 70 CO 0.06 -0.01 1.30 -0.44 -1.57 0.00 0.00 175.55 174.90 2x7m h ASP 71 N 5.12 0.78 -4.11 2.29 3.32 -0.94 -3.45 116.42 119.42 2x7m h ASP 71 Ca -0.35 -0.55 -0.25 0.00 0.02 0.00 0.00 57.03 55.89 2x7m h ASP 71 Cb 1.19 -0.23 -0.26 0.00 0.22 0.00 0.00 39.33 40.24 2x7m h ASP 71 CO 0.45 1.34 -0.73 -0.13 -1.72 0.00 0.00 179.24 178.45 2x7m s ARG 72 N -3.54 0.24 -0.18 3.56 1.81 -0.96 -4.68 118.95 115.20 2x7m s ARG 72 Ca -0.08 -0.25 0.01 0.00 -1.72 0.00 0.00 55.73 53.69 2x7m s ARG 72 Cb 0.09 -0.14 0.03 0.00 -0.45 0.00 0.00 34.95 34.47 2x7m s ARG 72 CO 0.89 0.03 -0.15 0.08 -0.68 0.00 0.00 175.30 175.47 2x7m s VAL 73 N -0.44 1.82 -0.16 3.52 1.01 0.73 -0.82 120.40 126.06 2x7m s VAL 73 Ca -0.03 -0.90 0.01 0.00 0.00 0.00 0.00 61.98 61.06 2x7m s VAL 73 Cb -0.03 -1.73 0.01 0.00 0.00 0.00 0.00 36.38 34.62 2x7m s VAL 73 CO -0.00 0.40 -0.19 -0.76 0.00 0.00 0.00 175.10 174.55 2x7m s LEU 74 N 1.36 2.25 0.16 3.92 1.02 0.10 -1.18 118.68 126.32 2x7m s LEU 74 Ca 0.03 -0.57 -0.03 0.00 0.02 0.00 0.00 54.13 53.57 2x7m s LEU 74 Cb -0.14 -1.50 -0.05 0.00 0.02 0.00 0.00 46.19 44.52 2x7m s LEU 74 CO -0.11 0.05 0.37 -0.83 0.02 0.00 0.00 176.35 175.86 2x7m s GLY 75 N 0.98 2.10 0.00 -3.19 0.00 0.14 -0.30 107.32 107.05 2x7m s GLY 75 Ca -0.03 -0.66 0.05 0.00 0.00 0.00 0.00 44.72 44.08 2x7m s GLY 75 CO -0.04 -0.59 -0.14 1.08 0.00 0.00 0.00 173.10 173.40 2x7m s LEU 76 N -2.87 2.06 0.04 0.66 1.43 0.16 -0.62 118.68 119.55 2x7m s LEU 76 Ca 0.40 -0.31 -0.04 0.00 -1.03 0.00 0.00 54.13 53.15 2x7m s LEU 76 Cb -0.12 -0.72 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 2x7m s LEU 76 CO 0.26 0.15 0.05 0.28 0.23 0.00 0.00 176.35 177.32 2x7m s THR 77 N -0.46 0.14 -2.73 5.49 -1.32 -0.41 -0.25 115.64 116.11 2x7m s THR 77 Ca 0.05 -1.18 0.25 0.00 -1.21 0.00 0.00 61.69 59.59 2x7m s THR 77 Cb -0.06 -0.90 0.35 0.00 -1.51 0.00 0.00 72.50 70.38 2x7m s THR 77 CO -0.00 -0.65 1.45 -1.54 -2.21 0.00 0.00 174.62 171.66 2x7m n SER 78 N 0.79 2.50 -4.81 8.08 3.41 -1.26 -0.25 113.62 122.07 2x7m n SER 78 Ca -0.19 -1.83 -0.36 0.00 -0.26 0.00 0.00 58.87 56.24 2x7m n SER 78 Cb 0.58 -0.04 -0.06 0.00 -0.26 0.00 0.00 64.21 64.43 2x7m n SER 78 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 2x7m s GLU 79 N -1.92 4.30 0.33 4.33 0.41 -1.26 -4.12 118.70 120.76 2x7m s GLU 79 Ca 0.33 0.97 -0.27 0.00 -0.41 0.00 0.00 54.97 55.58 2x7m s GLU 79 Cb 0.20 -2.76 -0.09 0.00 -1.78 0.00 0.00 34.13 29.70 2x7m s GLU 79 CO 0.31 0.31 1.06 0.34 -0.49 0.00 0.00 175.26 176.79 2x7m s ASP 80 N -1.76 7.10 0.21 -0.19 2.15 -1.26 -4.55 116.67 118.37 2x7m s ASP 80 Ca 0.47 2.14 0.11 0.00 0.43 0.00 0.00 52.55 55.70 2x7m s ASP 80 Cb -0.16 -2.61 -0.04 0.00 -0.30 0.00 0.00 42.92 39.81 2x7m s ASP 80 CO 0.21 -0.25 -0.20 -0.76 -0.17 0.00 0.00 175.17 174.00 2x7m s LEU 81 N -1.92 2.59 0.31 -1.34 1.43 -1.26 -0.98 118.68 117.51 2x7m s LEU 81 Ca 0.50 -0.84 0.03 0.00 -1.03 0.00 0.00 54.13 52.78 2x7m s LEU 81 Cb -0.27 -1.26 -0.02 0.00 0.03 0.00 0.00 46.19 44.66 2x7m s LEU 81 CO 0.34 0.10 0.30 -0.72 0.23 0.00 0.00 176.35 176.60 2x7m s TYR 82 N -1.88 1.46 0.10 0.29 -0.85 0.05 -1.07 117.35 115.44 2x7m s TYR 82 Ca 0.24 -1.51 0.02 0.00 -0.52 0.00 0.00 57.07 55.31 2x7m s TYR 82 Cb -0.07 -0.52 -0.04 0.00 0.38 0.00 0.00 41.96 41.70 2x7m s TYR 82 CO 0.12 -0.89 -0.07 0.00 -1.52 0.00 0.00 175.55 173.19 2x7m s ALA 83 N -3.51 1.02 -0.04 9.51 0.00 -1.26 -0.41 121.76 127.06 2x7m s ALA 83 Ca 0.38 -1.31 -0.33 0.00 0.00 0.00 0.00 51.96 50.70 2x7m s ALA 83 Cb 0.03 0.12 -0.11 0.00 0.00 0.00 0.00 23.12 23.16 2x7m s ALA 83 CO 0.23 -0.18 1.91 -2.30 0.00 0.00 0.00 175.76 175.41 2x7m n PRO 84 N 0.11 2.41 -0.49 0.00 -0.02 -1.26 -0.76 135.00 134.98 2x7m n PRO 84 Ca -0.13 0.88 0.00 0.00 -2.02 0.00 0.00 63.50 62.23 2x7m n PRO 84 Cb 0.60 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.32 2x7m n PRO 84 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2x7m n GLY 85 N 4.44 0.75 3.32 -1.23 0.00 -1.26 -5.05 105.19 106.16 2x7m n GLY 85 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.95 2x7m n GLY 85 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x7m s LEU 86 N 0.00 2.16 0.26 0.99 1.43 0.06 -5.03 118.68 118.56 2x7m s LEU 86 Ca 0.00 -0.56 -0.04 0.00 -1.03 0.00 0.00 54.13 52.50 2x7m s LEU 86 Cb 0.00 -1.21 0.33 0.00 0.03 0.00 0.00 46.19 45.34 2x7m s LEU 86 CO 0.00 0.24 1.86 -1.13 0.23 0.00 0.00 176.35 177.55 2x7m h ASN 87 N 4.85 0.96 -5.17 2.29 -1.24 -1.96 -3.38 115.58 111.94 2x7m h ASN 87 Ca -0.45 -0.11 0.13 0.00 0.71 0.00 0.00 56.30 56.58 2x7m h ASN 87 Cb 1.15 -0.25 -0.08 0.00 0.73 0.00 0.00 38.32 39.87 2x7m h ASN 87 CO 0.44 0.82 0.39 0.72 -1.29 0.00 0.00 177.43 178.51 2x7m s PHE 88 N -5.59 -0.18 0.04 0.67 -0.12 -1.26 -4.80 117.98 106.74 2x7m s PHE 88 Ca -0.11 -0.16 0.02 0.00 -0.05 0.00 0.00 56.93 56.63 2x7m s PHE 88 Cb 0.16 0.65 -0.02 0.00 -0.63 0.00 0.00 43.02 43.18 2x7m s PHE 88 CO 0.81 -0.94 -0.08 0.14 -0.05 0.00 0.00 175.22 175.10 2x7m s VAL 89 N -3.49 0.54 -0.17 -2.49 -7.23 -0.23 -4.75 120.40 102.58 2x7m s VAL 89 Ca 0.11 -0.99 0.23 0.00 -1.81 0.00 0.00 61.98 59.53 2x7m s VAL 89 Cb -0.03 -0.59 0.26 0.00 0.56 0.00 0.00 36.38 36.59 2x7m s VAL 89 CO 0.02 -0.32 1.68 -0.26 -0.31 0.00 0.00 175.10 175.91 2x7m h PHE 90 N 4.67 0.00 -1.85 2.82 0.04 -1.89 -3.37 116.94 117.36 2x7m h PHE 90 Ca -0.35 0.00 0.37 0.00 2.80 0.00 0.00 57.97 60.79 2x7m h PHE 90 Cb 1.20 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 39.26 2x7m h PHE 90 CO 0.62 0.16 0.95 0.20 -0.60 0.00 0.00 178.31 179.64 2x7m s GLY 91 N -4.28 -0.24 0.07 -1.45 0.00 -1.26 0.17 107.32 100.33 2x7m s GLY 91 Ca 0.04 0.29 -0.21 0.00 0.00 0.00 0.00 44.72 44.83 2x7m s GLY 91 CO 0.66 4.69 0.50 1.62 0.00 0.00 0.00 173.10 180.57 2x7m s GLN 92 N -2.06 1.05 0.03 2.90 0.74 0.21 -4.98 119.66 117.56 2x7m s GLN 92 Ca 0.27 -0.34 -0.04 0.00 0.05 0.00 0.00 55.36 55.30 2x7m s GLN 92 Cb 0.01 0.48 -0.01 0.00 1.10 0.00 0.00 33.01 34.59 2x7m s GLN 92 CO -0.03 -0.39 0.06 0.00 -0.55 0.00 0.00 175.29 174.38 2x7m s ALA 93 N -2.77 0.01 0.16 1.58 0.00 -1.26 -0.19 121.76 119.28 2x7m s ALA 93 Ca -0.03 -0.58 -0.31 0.00 0.00 0.00 0.00 51.96 51.04 2x7m s ALA 93 Cb -0.00 0.21 -0.09 0.00 0.00 0.00 0.00 23.12 23.23 2x7m s ALA 93 CO -0.04 -0.27 1.50 1.03 0.00 0.00 0.00 175.76 177.98 2x7m s ARG 94 N -2.31 4.25 -0.34 0.00 1.81 0.03 -4.94 118.95 117.44 2x7m s ARG 94 Ca -0.08 2.28 0.01 0.00 -1.72 0.00 0.00 55.73 56.22 2x7m s ARG 94 Cb -0.03 -3.17 0.11 0.00 -0.45 0.00 0.00 34.95 31.40 2x7m s ARG 94 CO -0.03 -0.54 0.11 0.00 -0.68 0.00 0.00 175.30 174.16 2x7m s PRO 96 N 1.22 1.74 0.00 0.00 0.04 -1.26 -4.91 135.00 131.84 2x7m s PRO 96 Ca 0.11 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.92 2x7m s PRO 96 Cb -0.19 -2.04 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2x7m s PRO 96 CO -0.17 -1.63 0.00 0.41 0.04 0.00 0.00 177.00 175.65 2x7m n GLY 97 N -3.23 -1.10 0.06 0.56 0.00 -0.64 -4.95 105.19 95.88 2x7m n GLY 97 Ca 0.10 -1.06 -0.01 0.00 0.00 0.00 0.00 46.02 45.05 2x7m n GLY 97 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 2x7m n ARG 98 N 0.00 0.76 -4.42 1.61 0.63 -1.26 -4.67 116.66 109.31 2x7m n ARG 98 Ca 0.00 -0.08 -0.31 0.00 -0.92 0.00 0.00 57.85 56.54 2x7m n ARG 98 Cb 0.00 -1.49 -0.11 0.00 0.45 0.00 0.00 32.46 31.31 2x7m n ARG 98 CO 0.00 0.00 0.00 -1.21 -2.51 0.00 0.00 177.63 173.91 2x7m s GLU 99 N -2.87 2.22 0.12 -0.14 8.01 -1.26 -0.19 118.70 124.59 2x7m s GLU 99 Ca -0.09 -0.93 -0.10 0.00 0.01 0.00 0.00 54.97 53.87 2x7m s GLU 99 Cb 0.09 -2.32 -0.00 0.00 -4.31 0.00 0.00 34.13 27.59 2x7m s GLU 99 CO 0.82 0.54 0.25 0.00 0.01 0.00 0.00 175.26 176.88 2x7m s ALA 100 N -1.07 -0.22 -0.08 5.21 0.00 -0.32 -0.79 121.76 124.50 2x7m s ALA 100 Ca 0.18 -0.66 -0.11 0.00 0.00 0.00 0.00 51.96 51.38 2x7m s ALA 100 Cb -0.11 0.64 0.02 0.00 0.00 0.00 0.00 23.12 23.68 2x7m s ALA 100 CO 0.09 -0.57 0.28 0.54 0.00 0.00 0.00 175.76 176.10 2x7m s VAL 101 N -3.89 0.02 -0.00 0.00 0.11 0.73 0.25 120.40 117.61 2x7m s VAL 101 Ca 0.09 -0.16 0.04 0.00 -2.93 0.00 0.00 61.98 59.03 2x7m s VAL 101 Cb 0.04 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.43 2x7m s VAL 101 CO -0.07 -0.09 -0.14 -0.69 -3.33 0.00 0.00 175.10 170.79 2x7m s VAL 102 N -0.28 1.08 -0.12 2.04 1.01 0.21 -0.62 120.40 123.73 2x7m s VAL 102 Ca -0.04 -0.66 -0.04 0.00 0.00 0.00 0.00 61.98 61.25 2x7m s VAL 102 Cb -0.03 -0.92 -0.03 0.00 0.00 0.00 0.00 36.38 35.40 2x7m s VAL 102 CO 0.01 0.25 0.01 -0.55 0.00 0.00 0.00 175.10 174.83 2x7m s SER 103 N -0.47 5.28 0.00 3.32 0.15 0.13 -1.29 113.70 120.83 2x7m s SER 103 Ca 0.05 0.09 0.28 0.00 0.70 0.00 0.00 55.95 57.07 2x7m s SER 103 Cb -0.06 -1.67 1.06 0.00 -1.71 0.00 0.00 66.02 63.64 2x7m s SER 103 CO -0.00 0.29 1.75 1.33 1.20 0.00 0.00 173.24 177.81 2x7m n VAL 104 N 2.71 0.00 -0.36 4.45 0.24 0.65 -4.45 118.33 121.56 2x7m n VAL 104 Ca -0.18 -0.18 0.06 0.00 -2.04 0.00 0.00 64.34 62.00 2x7m n VAL 104 Cb 0.53 0.34 0.22 0.00 -1.47 0.00 0.00 33.84 33.46 2x7m n VAL 104 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2x7m h ALA 105 N 4.08 1.47 -0.02 2.33 0.00 -1.72 0.36 119.26 125.76 2x7m h ALA 105 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 2x7m h ALA 105 Cb 0.45 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2x7m h ALA 105 CO 0.00 0.29 -0.22 0.54 0.00 0.00 0.00 179.25 179.86 2x7m n ARG 106 N -4.59 1.75 0.01 0.00 1.74 -1.26 -4.12 116.66 110.19 2x7m n ARG 106 Ca 0.18 -1.42 0.11 0.00 -0.77 0.00 0.00 57.85 55.95 2x7m n ARG 106 Cb 0.30 -1.47 0.04 0.00 -1.02 0.00 0.00 32.46 30.31 2x7m n ARG 106 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2x7m n LEU 107 N 0.61 0.68 -4.60 0.55 4.77 0.06 -4.92 117.00 114.16 2x7m n LEU 107 Ca 0.12 -0.16 -0.47 0.00 -0.03 0.00 0.00 56.01 55.48 2x7m n LEU 107 Cb 0.52 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.47 2x7m n LEU 107 CO 0.21 0.13 0.71 0.18 -1.33 0.00 0.00 177.39 177.29 2x7m n LEU 108 N -1.70 1.87 -3.78 2.23 4.77 -0.86 -4.66 117.00 114.87 2x7m n LEU 108 Ca 0.03 1.16 -0.13 0.00 -0.03 0.00 0.00 56.01 57.04 2x7m n LEU 108 Cb 0.38 -1.28 -0.09 0.00 -2.33 0.00 0.00 43.42 40.10 2x7m n LEU 108 CO 0.40 -1.21 -0.02 -0.62 -1.33 0.00 0.00 177.39 174.61 2x7m s ASP 109 N -0.17 -0.15 0.52 -1.43 2.15 -1.26 -5.00 116.67 111.33 2x7m s ASP 109 Ca 0.67 0.05 0.18 0.00 0.43 0.00 0.00 52.55 53.88 2x7m s ASP 109 Cb -0.76 0.30 1.33 0.00 -0.30 0.00 0.00 42.92 43.48 2x7m s ASP 109 CO 0.55 -0.42 2.14 -0.65 -0.17 0.00 0.00 175.17 176.62 2x7m h PRO 110 N 4.01 0.00 -6.31 4.34 0.11 -2.02 -3.40 132.00 128.73 2x7m h PRO 110 Ca -0.30 0.00 -0.58 0.00 0.11 0.00 0.00 66.00 65.23 2x7m h PRO 110 Cb 1.18 0.00 -0.09 0.00 0.11 0.00 0.00 31.00 32.20 2x7m h PRO 110 CO 0.40 0.03 0.71 0.34 -0.21 0.00 0.00 178.00 179.27 2x7m s ASP 111 N -6.89 6.62 0.30 -2.05 -1.08 -1.26 -4.91 116.67 107.41 2x7m s ASP 111 Ca -0.05 0.42 0.01 0.00 -0.52 0.00 0.00 52.55 52.41 2x7m s ASP 111 Cb 0.16 -2.49 0.46 0.00 -1.46 0.00 0.00 42.92 39.59 2x7m s ASP 111 CO 0.65 -1.04 1.82 1.55 0.52 0.00 0.00 175.17 178.67 2x7m h PRO 112 N 8.88 0.69 -0.36 4.34 0.14 -1.99 -0.46 132.00 143.23 2x7m h PRO 112 Ca -0.23 -0.16 -0.13 0.00 0.14 0.00 0.00 66.00 65.62 2x7m h PRO 112 Cb 1.07 -0.09 -0.01 0.00 0.14 0.00 0.00 31.00 32.11 2x7m h PRO 112 CO 1.04 0.68 -0.29 0.93 0.14 0.00 0.00 178.00 180.51 2x7m h GLU 113 N 0.65 0.77 -0.31 0.86 4.39 -1.94 0.95 114.58 119.94 2x7m h GLU 113 Ca 0.14 -0.34 -0.06 0.00 0.34 0.00 0.00 59.36 59.44 2x7m h GLU 113 Cb 0.37 -0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.99 2x7m h GLU 113 CO 0.01 0.96 -0.02 1.25 -1.16 0.00 0.00 179.01 180.05 2x7m h LEU 114 N 0.66 0.56 -0.03 1.33 5.85 -1.81 -1.16 115.31 120.71 2x7m h LEU 114 Ca 0.08 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.47 2x7m h LEU 114 Cb 0.82 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.69 2x7m h LEU 114 CO 0.07 0.75 0.02 0.22 -0.34 0.00 0.00 178.44 179.16 2x7m h TYR 115 N 0.36 0.04 -0.79 1.25 3.20 -0.87 -1.37 116.97 118.78 2x7m h TYR 115 Ca 0.09 0.00 -0.03 0.00 3.14 0.00 0.00 58.73 61.92 2x7m h TYR 115 Cb 0.48 -0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.70 2x7m h TYR 115 CO 0.04 0.04 0.37 -0.07 -1.64 0.00 0.00 178.16 176.90 2x7m h LEU 116 N 0.02 1.05 -0.95 2.82 3.38 -0.74 -1.50 115.31 119.39 2x7m h LEU 116 Ca 0.01 -0.14 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 2x7m h LEU 116 Cb 0.01 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 2x7m h LEU 116 CO -0.00 0.90 0.40 -0.08 0.09 0.00 0.00 178.44 179.74 2x7m h GLU 117 N 1.13 1.15 -0.41 1.13 4.81 -0.90 0.41 114.58 121.90 2x7m h GLU 117 Ca 0.27 -0.16 -0.04 0.00 -0.13 0.00 0.00 59.36 59.30 2x7m h GLU 117 Cb 0.13 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 2x7m h GLU 117 CO -0.03 0.88 0.09 0.00 -0.73 0.00 0.00 179.01 179.22 2x7m h ARG 118 N 1.14 0.66 -0.31 1.92 3.08 -0.53 0.16 114.38 120.50 2x7m h ARG 118 Ca 0.28 -0.16 -0.09 0.00 0.07 0.00 0.00 59.98 60.07 2x7m h ARG 118 Cb 0.10 -0.08 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 2x7m h ARG 118 CO -0.04 0.68 -0.17 0.28 -1.07 0.00 0.00 179.97 179.66 2x7m h VAL 119 N 0.52 1.29 -0.74 2.04 2.07 -0.90 -0.63 116.25 119.90 2x7m h VAL 119 Ca 0.13 -1.29 0.03 0.00 0.82 0.00 0.00 66.70 66.39 2x7m h VAL 119 Cb 0.33 1.47 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 2x7m h VAL 119 CO 0.00 0.41 0.47 0.58 0.02 0.00 0.00 177.57 179.06 2x7m h VAL 120 N 0.41 1.11 0.01 2.57 2.07 -0.74 0.49 116.25 122.18 2x7m h VAL 120 Ca 0.07 -0.32 0.01 0.00 0.82 0.00 0.00 66.70 67.28 2x7m h VAL 120 Cb 0.70 0.11 -0.02 0.00 -1.52 0.00 0.00 31.29 30.57 2x7m h VAL 120 CO 0.05 0.17 -0.08 0.11 0.02 0.00 0.00 177.57 177.84 2x7m h LYS 121 N 0.92 -0.14 -0.14 1.57 1.57 -0.30 0.04 116.57 120.11 2x7m h LYS 121 Ca 0.30 0.01 -0.15 0.00 -1.87 0.00 0.00 60.65 58.94 2x7m h LYS 121 Cb 0.01 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 2x7m h LYS 121 CO -0.11 -0.09 -0.54 0.93 -0.57 0.00 0.00 179.45 179.07 2x7m h GLU 122 N -0.14 0.41 -0.78 3.15 4.39 -0.79 0.24 114.58 121.07 2x7m h GLU 122 Ca 0.03 -0.26 -0.01 0.00 0.34 0.00 0.00 59.36 59.46 2x7m h GLU 122 Cb 0.17 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.81 2x7m h GLU 122 CO -0.07 0.85 0.45 -0.07 -1.16 0.00 0.00 179.01 179.01 2x7m h LEU 123 N 0.32 0.96 -0.56 1.33 3.38 -0.80 0.01 115.31 119.93 2x7m h LEU 123 Ca 0.01 -0.08 -0.12 0.00 0.09 0.00 0.00 57.88 57.78 2x7m h LEU 123 Cb 1.06 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.55 2x7m h LEU 123 CO 0.09 0.76 -0.12 0.74 0.09 0.00 0.00 178.44 180.00 2x7m h THR 124 N 1.07 1.27 0.16 0.22 2.02 -0.39 0.16 112.91 117.43 2x7m h THR 124 Ca 0.28 -1.28 -0.01 0.00 0.77 0.00 0.00 66.41 66.17 2x7m h THR 124 Cb -0.00 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 2x7m h THR 124 CO -0.05 0.45 -0.08 -0.74 0.37 0.00 0.00 175.52 175.48 2x7m h HIS 125 N 0.90 -0.20 -0.18 3.16 -0.00 -0.25 0.18 115.15 118.76 2x7m h HIS 125 Ca 0.14 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.41 2x7m h HIS 125 Cb 0.69 0.07 -0.01 0.00 -0.00 0.00 0.00 27.41 28.16 2x7m h HIS 125 CO 0.05 -0.13 -0.30 0.93 -0.00 0.00 0.00 177.93 178.48 2x7m h GLU 126 N -0.22 0.35 -0.69 5.26 4.39 -0.83 -1.70 114.58 121.14 2x7m h GLU 126 Ca -0.02 -0.14 -0.03 0.00 0.34 0.00 0.00 59.36 59.51 2x7m h GLU 126 Cb 0.17 -0.02 -0.03 0.00 -0.10 0.00 0.00 28.75 28.77 2x7m h GLU 126 CO 0.04 0.62 0.33 1.25 -1.16 0.00 0.00 179.01 180.09 2x7m h LEU 127 N 0.31 0.91 -0.74 1.33 5.85 -0.26 -1.46 115.31 121.25 2x7m h LEU 127 Ca 0.04 -0.13 0.09 0.00 0.84 0.00 0.00 57.88 58.72 2x7m h LEU 127 Cb 0.69 -0.23 -0.07 0.00 0.37 0.00 0.00 40.66 41.42 2x7m h LEU 127 CO 0.05 0.79 0.39 1.23 -0.34 0.00 0.00 178.44 180.56 2x7m h GLY 128 N 0.96 1.13 1.16 3.75 0.00 0.23 -1.24 103.07 109.06 2x7m h GLY 128 Ca 0.24 -0.25 -0.02 0.00 0.00 0.00 0.00 47.33 47.30 2x7m h GLY 128 CO -0.03 0.08 0.43 0.45 0.00 0.00 0.00 176.54 177.47 2x7m h HIS 129 N 0.65 1.08 0.00 5.60 3.86 -0.68 -0.43 115.15 125.23 2x7m h HIS 129 Ca 0.36 -0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.54 2x7m h HIS 129 Cb 0.37 -0.35 -0.00 0.00 1.06 0.00 0.00 27.41 28.49 2x7m h HIS 129 CO -0.09 0.75 -0.04 1.79 0.86 0.00 0.00 177.93 181.20 2x7m h THR 130 N 1.10 0.30 -0.43 2.45 1.35 -0.36 0.21 112.91 117.53 2x7m h THR 130 Ca 0.28 -0.22 0.00 0.00 -0.55 0.00 0.00 66.41 65.92 2x7m h THR 130 Cb 0.03 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 67.61 2x7m h THR 130 CO -0.04 0.04 0.00 0.49 -0.25 0.00 0.00 175.52 175.75 2x7m n PHE 131 N -3.44 1.23 -0.71 4.73 3.72 -0.23 -1.63 117.46 121.13 2x7m n PHE 131 Ca -0.02 -0.46 0.00 0.00 -0.05 0.00 0.00 57.45 56.92 2x7m n PHE 131 Cb 0.15 -0.28 0.00 0.00 -0.94 0.00 0.00 39.48 38.41 2x7m n PHE 131 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2x7m n GLY 132 N 0.69 1.07 3.74 1.37 0.00 0.72 -4.89 105.19 107.89 2x7m n GLY 132 Ca 0.19 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2x7m n GLY 132 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2x7m s LEU 133 N 0.00 4.40 0.00 0.99 1.02 -0.83 -4.85 118.68 119.41 2x7m s LEU 133 Ca 0.00 2.57 0.00 0.00 0.02 0.00 0.00 54.13 56.72 2x7m s LEU 133 Cb 0.00 -3.62 0.00 0.00 0.02 0.00 0.00 46.19 42.59 2x7m s LEU 133 CO 0.00 -0.63 0.00 0.61 0.02 0.00 0.00 176.35 176.35 2x7m n GLY 134 N 2.22 1.22 3.76 -3.19 0.00 -1.26 -3.91 105.19 104.02 2x7m n GLY 134 Ca 0.06 -2.01 -0.40 0.00 0.00 0.00 0.00 46.02 43.67 2x7m n GLY 134 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2x7m s HIS 135 N 0.69 3.59 -0.16 1.61 3.76 -1.26 -4.90 115.29 118.62 2x7m s HIS 135 Ca 0.00 1.70 -0.08 0.00 -0.15 0.00 0.00 55.06 56.53 2x7m s HIS 135 Cb 0.00 -3.28 -0.04 0.00 1.11 0.00 0.00 32.58 30.37 2x7m s HIS 135 CO 0.00 -0.53 0.13 0.00 -0.85 0.00 0.00 174.74 173.49 2x7m h PRO 137 N 5.81 0.00 -6.24 0.00 0.11 -1.95 -3.35 132.00 126.38 2x7m h PRO 137 Ca -0.48 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.06 2x7m h PRO 137 Cb 1.19 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 2x7m h PRO 137 CO 0.66 0.23 1.26 0.34 -0.21 0.00 0.00 178.00 180.28 2x7m s ASP 138 N -6.35 6.04 0.00 -2.05 -1.08 -1.26 -4.85 116.67 107.12 2x7m s ASP 138 Ca -0.02 1.63 0.19 0.00 -0.52 0.00 0.00 52.55 53.83 2x7m s ASP 138 Cb 0.12 -2.53 0.82 0.00 -1.46 0.00 0.00 42.92 39.88 2x7m s ASP 138 CO 0.64 -1.54 1.61 0.54 0.52 0.00 0.00 175.17 176.94 2x7m n ARG 139 N 8.14 0.01 0.00 4.34 5.12 -1.26 -1.49 116.66 131.52 2x7m n ARG 139 Ca 0.22 0.17 0.11 0.00 -1.93 0.00 0.00 57.85 56.43 2x7m n ARG 139 Cb 0.45 -1.50 0.14 0.00 -1.16 0.00 0.00 32.46 30.39 2x7m n ARG 139 CO 0.00 0.00 0.00 -1.71 -1.93 0.00 0.00 177.63 173.99 2x7m n ASN 140 N -1.49 0.90 -4.79 0.55 5.15 -1.26 -3.79 115.26 110.53 2x7m n ASN 140 Ca 0.05 -0.71 -0.38 0.00 -0.60 0.00 0.00 54.58 52.94 2x7m n ASN 140 Cb 0.22 0.47 -0.06 0.00 -0.53 0.00 0.00 39.78 39.88 2x7m n ASN 140 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2x7m h VAL 142 N 2.96 0.16 -0.01 0.00 3.04 -0.95 -0.66 116.25 120.79 2x7m h VAL 142 Ca -0.47 -0.14 0.00 0.00 -1.01 0.00 0.00 66.70 65.08 2x7m h VAL 142 Cb 1.20 1.11 0.00 0.00 -2.01 0.00 0.00 31.29 31.59 2x7m h VAL 142 CO 0.66 0.01 -0.07 0.23 -1.01 0.00 0.00 177.57 177.39 2x7m n MET 143 N -3.28 1.11 -1.69 4.17 2.81 -1.26 -4.50 117.12 114.48 2x7m n MET 143 Ca -0.02 -0.48 -0.43 0.00 -1.81 0.00 0.00 57.70 54.96 2x7m n MET 143 Cb 0.12 -1.49 -0.01 0.00 -0.71 0.00 0.00 33.22 31.13 2x7m n MET 143 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 2x7m n SER 144 N -0.53 2.76 -4.64 7.83 2.88 -0.25 -1.54 113.62 120.13 2x7m n SER 144 Ca 0.18 1.19 -0.43 0.00 -1.33 0.00 0.00 58.87 58.48 2x7m n SER 144 Cb 0.28 -1.47 -0.02 0.00 -0.75 0.00 0.00 64.21 62.25 2x7m n SER 144 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 2x7m s PHE 145 N -0.81 3.22 -0.17 0.66 5.36 -1.26 -4.86 117.98 120.12 2x7m s PHE 145 Ca 0.59 1.25 -0.05 0.00 -0.96 0.00 0.00 56.93 57.76 2x7m s PHE 145 Cb -0.59 -3.48 -0.03 0.00 -0.34 0.00 0.00 43.02 38.58 2x7m s PHE 145 CO 0.59 -0.64 -0.01 -1.12 -1.46 0.00 0.00 175.22 172.58 2x7m s SER 146 N 1.49 5.02 -0.04 6.13 0.01 -1.26 -4.95 113.70 120.09 2x7m s SER 146 Ca 0.43 -0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.67 2x7m s SER 146 Cb -0.13 -1.83 0.10 0.00 0.21 0.00 0.00 66.02 64.36 2x7m s SER 146 CO 0.12 0.16 1.06 -1.54 0.41 0.00 0.00 173.24 173.44 2x7m n SER 147 N 3.62 2.14 -3.84 2.44 3.41 -1.26 -4.86 113.62 115.27 2x7m n SER 147 Ca -0.17 -2.36 -0.09 0.00 -0.26 0.00 0.00 58.87 55.99 2x7m n SER 147 Cb 0.52 -0.15 -0.05 0.00 -0.26 0.00 0.00 64.21 64.28 2x7m n SER 147 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2x7m s SER 148 N -1.61 -0.14 0.21 4.04 1.04 -1.26 -5.04 113.70 110.95 2x7m s SER 148 Ca 0.11 -0.66 -0.06 0.00 0.48 0.00 0.00 55.95 55.82 2x7m s SER 148 Cb 0.09 0.53 0.18 0.00 0.10 0.00 0.00 66.02 66.92 2x7m s SER 148 CO 0.01 -1.00 1.68 -0.07 0.98 0.00 0.00 173.24 174.84 2x7m h LEU 149 N 2.33 0.92 -0.86 2.42 3.38 -1.95 -1.90 115.31 119.64 2x7m h LEU 149 Ca -0.29 -0.26 0.17 0.00 0.09 0.00 0.00 57.88 57.59 2x7m h LEU 149 Cb 1.25 -0.25 -0.10 0.00 0.09 0.00 0.00 40.66 41.65 2x7m h LEU 149 CO 0.41 0.99 0.41 0.25 0.09 0.00 0.00 178.44 180.60 2x7m h LEU 150 N 0.86 0.44 -0.04 1.67 5.85 -1.98 0.35 115.31 122.45 2x7m h LEU 150 Ca 0.15 0.11 -0.26 0.00 0.84 0.00 0.00 57.88 58.73 2x7m h LEU 150 Cb 0.55 0.06 0.01 0.00 0.37 0.00 0.00 40.66 41.65 2x7m h LEU 150 CO 0.03 0.14 -1.07 -0.33 -0.34 0.00 0.00 178.44 176.87 2x7m h GLU 151 N 0.53 0.49 -0.37 1.25 5.08 -1.82 -1.36 114.58 118.39 2x7m h GLU 151 Ca 0.49 -0.59 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 2x7m h GLU 151 Cb 0.79 0.18 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 2x7m h GLU 151 CO -0.42 1.22 0.21 0.28 -1.00 0.00 0.00 179.01 179.30 2x7m h VAL 152 N 0.25 1.14 -0.06 3.13 2.07 -0.59 -2.73 116.25 119.46 2x7m h VAL 152 Ca -0.12 -0.34 -0.13 0.00 0.82 0.00 0.00 66.70 66.93 2x7m h VAL 152 Cb 1.72 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 32.17 2x7m h VAL 152 CO 0.19 0.14 -0.54 0.44 0.02 0.00 0.00 177.57 177.82 2x7m h ASP 153 N 0.48 0.18 -0.35 0.57 3.32 -0.20 -2.95 116.42 117.47 2x7m h ASP 153 Ca 0.13 -0.09 -0.15 0.00 0.02 0.00 0.00 57.03 56.94 2x7m h ASP 153 Cb 0.04 -0.05 -0.00 0.00 0.22 0.00 0.00 39.33 39.53 2x7m h ASP 153 CO -0.02 0.69 -0.38 -0.09 -1.72 0.00 0.00 179.24 177.71 2x7m h ARG 154 N 0.13 0.87 -7.29 3.56 2.43 -1.16 -3.45 114.38 109.47 2x7m h ARG 154 Ca 0.00 -0.47 -0.50 0.00 -0.81 0.00 0.00 59.98 58.20 2x7m h ARG 154 Cb 0.99 0.02 0.07 0.00 -0.42 0.00 0.00 29.97 30.64 2x7m h ARG 154 CO 0.08 1.11 0.38 -1.59 -1.51 0.00 0.00 179.97 178.44 2x7m s LYS 155 N -4.35 3.22 0.62 0.20 -2.85 -1.04 -4.80 119.74 110.75 2x7m s LYS 155 Ca -0.11 1.00 -0.09 0.00 -1.00 0.00 0.00 55.97 55.76 2x7m s LYS 155 Cb 0.10 -2.03 -0.01 0.00 -2.06 0.00 0.00 37.83 33.84 2x7m s LYS 155 CO 0.87 -0.87 0.98 -1.54 0.10 0.00 0.00 175.35 174.88 2x7m s SER 156 N -3.50 5.79 0.00 0.03 1.04 0.81 -4.95 113.70 112.93 2x7m s SER 156 Ca 0.59 1.05 0.30 0.00 0.48 0.00 0.00 55.95 58.37 2x7m s SER 156 Cb -0.14 -2.04 1.68 0.00 0.10 0.00 0.00 66.02 65.62 2x7m s SER 156 CO 0.48 -1.04 2.08 -0.81 0.98 0.00 0.00 173.24 174.93 2x7m n PRO 157 N -2.72 0.76 -3.87 4.02 -0.04 -1.26 -2.96 135.00 128.92 2x7m n PRO 157 Ca 0.05 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.23 2x7m n PRO 157 Cb 0.56 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.49 2x7m n PRO 157 CO 0.00 0.00 0.00 -0.80 -0.04 0.00 0.00 175.50 174.66 2x7m s ASN 158 N -2.20 6.37 0.12 3.54 0.01 -1.26 -4.72 114.94 116.79 2x7m s ASN 158 Ca 0.39 0.27 -0.30 0.00 -0.71 0.00 0.00 52.86 52.51 2x7m s ASN 158 Cb 0.20 -1.96 -0.06 0.00 0.41 0.00 0.00 41.25 39.84 2x7m s ASN 158 CO 0.38 0.07 1.06 -0.36 -1.51 0.00 0.00 177.10 176.75 2x7m s PHE 159 N -1.69 3.64 1.25 2.20 0.08 -1.26 -0.99 117.98 121.20 2x7m s PHE 159 Ca 0.36 1.62 -0.17 0.00 0.12 0.00 0.00 56.93 58.85 2x7m s PHE 159 Cb -0.12 -3.22 0.30 0.00 -0.57 0.00 0.00 43.02 39.42 2x7m s PHE 159 CO 0.28 -0.43 1.01 0.00 -0.10 0.00 0.00 175.22 175.99 2x7m h ARG 161 N -2.82 -0.20 -0.43 0.00 2.43 -1.99 0.07 114.38 111.44 2x7m h ARG 161 Ca -0.52 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 58.69 2x7m h ARG 161 Cb 1.33 0.04 -0.03 0.00 -0.42 0.00 0.00 29.97 30.90 2x7m h ARG 161 CO 0.41 -0.13 0.25 0.00 -1.51 0.00 0.00 179.97 178.99 2x7m h ARG 162 N -0.20 0.48 -0.04 0.20 3.08 -2.00 -1.72 114.38 114.17 2x7m h ARG 162 Ca 0.15 -0.03 -0.16 0.00 0.07 0.00 0.00 59.98 60.01 2x7m h ARG 162 Cb 0.44 -0.11 -0.01 0.00 0.08 0.00 0.00 29.97 30.37 2x7m h ARG 162 CO -0.41 0.32 -0.70 0.00 -1.07 0.00 0.00 179.97 178.11 2x7m h THR 164 N 0.15 1.15 -0.50 0.00 2.02 -0.73 0.29 112.91 115.29 2x7m h THR 164 Ca -0.02 -0.38 -0.02 0.00 0.77 0.00 0.00 66.41 66.76 2x7m h THR 164 Cb 1.25 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 68.25 2x7m h THR 164 CO 0.11 0.16 0.24 -0.33 0.37 0.00 0.00 175.52 176.07 2x7m h GLU 165 N 0.57 0.71 -0.69 6.66 5.08 -1.03 0.14 114.58 126.02 2x7m h GLU 165 Ca 0.16 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.42 2x7m h GLU 165 Cb 0.04 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.12 2x7m h GLU 165 CO -0.03 0.59 0.44 -0.07 -1.00 0.00 0.00 179.01 178.95 2x7m h LEU 166 N 0.66 0.81 -0.32 1.33 3.38 -0.71 0.15 115.31 120.60 2x7m h LEU 166 Ca 0.17 -0.04 -0.12 0.00 0.09 0.00 0.00 57.88 57.98 2x7m h LEU 166 Cb 0.11 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.65 2x7m h LEU 166 CO -0.02 0.60 -0.29 0.25 0.09 0.00 0.00 178.44 179.07 2x7m h LEU 167 N 0.94 0.80 -0.95 1.67 5.85 -0.14 0.15 115.31 123.63 2x7m h LEU 167 Ca 0.25 -0.46 -0.10 0.00 0.84 0.00 0.00 57.88 58.41 2x7m h LEU 167 Cb -0.08 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 2x7m h LEU 167 CO -0.05 1.10 -0.36 1.56 -0.34 0.00 0.00 178.44 180.34 2x7m h GLN 168 N 0.52 0.32 -0.39 1.25 1.08 -0.86 0.14 115.11 117.16 2x7m h GLN 168 Ca 0.05 -0.14 -0.09 0.00 -1.45 0.00 0.00 58.65 57.03 2x7m h GLN 168 Cb 0.86 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 28.27 2x7m h GLN 168 CO 0.07 0.64 -0.09 -0.09 -0.95 0.00 0.00 178.83 178.42 2x7m h ARG 169 N 0.27 0.75 0.00 1.46 2.43 -0.23 -0.08 114.38 118.99 2x7m h ARG 169 Ca 0.03 -0.28 -0.05 0.00 -0.81 0.00 0.00 59.98 58.87 2x7m h ARG 169 Cb 0.77 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 30.27 2x7m h ARG 169 CO 0.06 0.89 -0.22 -0.91 -1.51 0.00 0.00 179.97 178.28 2x7m h ASN 170 N 0.56 0.00 0.13 -3.80 4.21 -0.53 -3.09 115.58 113.06 2x7m h ASN 170 Ca 0.10 0.00 -0.25 0.00 1.21 0.00 0.00 56.30 57.36 2x7m h ASN 170 Cb 0.61 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.82 2x7m h ASN 170 CO 0.04 0.22 -1.00 -0.07 -1.29 0.00 0.00 177.43 175.32 2x7m h LEU 171 N 0.00 0.77 -1.58 1.61 3.38 -0.38 -3.21 115.31 115.91 2x7m h LEU 171 Ca -0.00 -0.62 0.47 0.00 0.09 0.00 0.00 57.88 57.82 2x7m h LEU 171 Cb 0.98 -0.24 -0.11 0.00 0.09 0.00 0.00 40.66 41.38 2x7m h LEU 171 CO 0.03 1.42 1.00 0.11 0.09 0.00 0.00 178.44 181.08 2x7m h LYS 172 N 0.33 0.05 0.00 1.13 1.79 -0.93 -3.50 116.57 115.44 2x7m h LYS 172 Ca -0.11 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.36 2x7m h LYS 172 Cb 1.65 -0.01 0.00 0.00 -1.58 0.00 0.00 32.23 32.29 2x7m h LYS 172 CO 0.19 0.03 0.00 0.54 -1.08 0.00 0.00 179.45 179.13