#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3e5h s SER 8 N 0.00 -0.70 0.55 1.61 0.15 -1.26 -5.02 113.70 109.02 3e5h s SER 8 Ca 0.00 1.31 0.36 0.00 0.70 0.00 0.00 55.95 58.32 3e5h s SER 8 Cb 0.00 1.31 1.74 0.00 -1.71 0.00 0.00 66.02 67.36 3e5h s SER 8 CO 0.00 -0.28 2.08 0.45 1.20 0.00 0.00 173.24 176.70 3e5h h HIS 9 N 4.85 0.00 -6.48 3.44 -0.00 -2.06 -3.46 115.15 111.45 3e5h h HIS 9 Ca -0.29 0.00 -0.50 0.00 -0.00 0.00 0.00 60.37 59.58 3e5h h HIS 9 Cb 1.16 0.00 -0.10 0.00 -0.00 0.00 0.00 27.41 28.47 3e5h h HIS 9 CO 0.39 0.00 -0.80 -1.33 -0.00 0.00 0.00 177.93 176.19 3e5h n MET 10 N -2.92 -4.41 -2.56 2.45 0.00 -1.26 -4.85 117.12 103.57 3e5h n MET 10 Ca -0.01 0.50 -0.41 0.00 0.00 0.00 0.00 57.70 57.78 3e5h n MET 10 Cb 0.18 -5.24 -0.03 0.00 0.00 0.00 0.00 33.22 28.13 3e5h n MET 10 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 175.97 176.47 3e5h s ARG 11 N -6.70 3.23 -0.09 0.03 3.52 -1.26 -4.95 118.95 112.73 3e5h s ARG 11 Ca 0.60 -0.19 0.02 0.00 -0.13 0.00 0.00 55.73 56.03 3e5h s ARG 11 Cb -0.31 -4.16 0.01 0.00 -1.56 0.00 0.00 34.95 28.93 3e5h s ARG 11 CO 0.87 -2.08 -0.13 -1.14 -0.81 0.00 0.00 175.30 172.01 3e5h s GLN 12 N 5.61 1.94 -0.13 5.12 0.74 -1.26 -0.52 119.66 131.15 3e5h s GLN 12 Ca 0.36 -0.47 -0.01 0.00 0.05 0.00 0.00 55.36 55.29 3e5h s GLN 12 Cb -0.08 -1.66 -0.02 0.00 1.10 0.00 0.00 33.01 32.35 3e5h s GLN 12 CO 0.16 -0.04 -0.11 -0.51 -0.55 0.00 0.00 175.29 174.24 3e5h s LEU 13 N 0.92 2.82 -0.28 3.68 1.43 -0.04 -4.97 118.68 122.24 3e5h s LEU 13 Ca -0.09 -0.29 -0.26 0.00 -1.03 0.00 0.00 54.13 52.47 3e5h s LEU 13 Cb -0.15 -1.64 0.00 0.00 0.03 0.00 0.00 46.19 44.43 3e5h s LEU 13 CO 0.00 0.17 0.89 -0.75 0.23 0.00 0.00 176.35 176.89 3e5h s LYS 14 N 0.33 4.09 -0.18 1.70 2.20 -1.26 -0.28 119.74 126.33 3e5h s LYS 14 Ca -0.09 0.89 0.01 0.00 -0.36 0.00 0.00 55.97 56.41 3e5h s LYS 14 Cb -0.16 -3.69 0.02 0.00 -1.51 0.00 0.00 37.83 32.49 3e5h s LYS 14 CO 0.05 -0.67 -0.19 0.42 -0.36 0.00 0.00 175.35 174.60 3e5h s ILE 15 N 3.10 2.17 -0.13 5.43 -1.09 -0.02 -0.61 121.20 130.06 3e5h s ILE 15 Ca 0.37 -0.90 -0.04 0.00 -2.23 0.00 0.00 60.65 57.85 3e5h s ILE 15 Cb -0.14 -1.92 -0.03 0.00 -1.58 0.00 0.00 42.46 38.79 3e5h s ILE 15 CO 0.11 0.53 0.01 0.68 -1.23 0.00 0.00 174.94 175.04 3e5h s VAL 16 N 1.30 4.34 -0.26 2.92 -7.23 -0.26 -0.36 120.40 120.84 3e5h s VAL 16 Ca 0.05 -0.22 -0.05 0.00 -1.81 0.00 0.00 61.98 59.95 3e5h s VAL 16 Cb -0.13 -2.88 0.00 0.00 0.56 0.00 0.00 36.38 33.93 3e5h s VAL 16 CO -0.12 0.54 0.02 -0.69 -0.31 0.00 0.00 175.10 174.54 3e5h s VAL 17 N -0.20 3.63 0.20 1.32 1.01 -0.12 -0.55 120.40 125.69 3e5h s VAL 17 Ca 0.05 -0.66 0.11 0.00 0.00 0.00 0.00 61.98 61.49 3e5h s VAL 17 Cb -0.12 -2.79 -0.04 0.00 0.00 0.00 0.00 36.38 33.42 3e5h s VAL 17 CO 0.02 0.22 -0.22 -0.76 0.00 0.00 0.00 175.10 174.36 3e5h s LEU 18 N 1.47 2.46 0.00 3.92 1.43 0.21 -2.72 118.68 125.45 3e5h s LEU 18 Ca 0.03 -0.89 0.00 0.00 -1.03 0.00 0.00 54.13 52.24 3e5h s LEU 18 Cb -0.16 -1.08 0.00 0.00 0.03 0.00 0.00 46.19 44.98 3e5h s LEU 18 CO -0.00 0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.26 3e5h n GLY 19 N 0.12 2.93 3.77 -3.19 0.00 -1.26 -0.92 105.19 106.64 3e5h n GLY 19 Ca -0.11 -1.56 -0.29 0.00 0.00 0.00 0.00 46.02 44.06 3e5h n GLY 19 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 3e5h s ASP 20 N 0.00 3.34 0.60 1.61 -4.77 -1.26 -4.29 116.67 111.90 3e5h s ASP 20 Ca 0.00 1.01 0.40 0.00 -3.30 0.00 0.00 52.55 50.65 3e5h s ASP 20 Cb 0.00 -1.60 2.04 0.00 -1.09 0.00 0.00 42.92 42.27 3e5h s ASP 20 CO 0.00 -2.66 2.21 1.23 0.70 0.00 0.00 175.17 176.65 3e5h h GLY 21 N -1.57 0.00 1.47 2.12 0.00 -1.96 -1.79 103.07 101.34 3e5h h GLY 21 Ca -0.51 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.82 3e5h h GLY 21 CO 0.61 0.00 -0.15 0.00 0.00 0.00 0.00 176.54 177.00 3e5h n ALA 22 N -2.05 2.74 0.11 3.60 0.00 -1.26 -4.46 120.51 119.18 3e5h n ALA 22 Ca -0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 53.44 53.18 3e5h n ALA 22 Cb 0.13 -1.36 0.09 0.00 0.00 0.00 0.00 19.45 18.32 3e5h n ALA 22 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 3e5h h SER 23 N 0.13 0.10 0.00 0.00 4.64 -1.64 -3.42 113.55 113.35 3e5h h SER 23 Ca 0.00 -0.07 0.00 0.00 -0.47 0.00 0.00 61.79 61.25 3e5h h SER 23 Cb 0.45 -0.03 0.00 0.00 -0.31 0.00 0.00 62.40 62.51 3e5h h SER 23 CO 0.00 0.77 0.00 0.61 -0.87 0.00 0.00 176.83 177.34 3e5h n GLY 24 N 0.50 1.64 0.11 -0.77 0.00 -1.26 -4.30 105.19 101.11 3e5h n GLY 24 Ca -0.02 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 3e5h n GLY 24 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3e5h h LYS 25 N 0.00 0.22 -0.56 1.61 1.57 -1.92 -0.04 116.57 117.45 3e5h h LYS 25 Ca 0.00 -0.01 -0.10 0.00 -1.87 0.00 0.00 60.65 58.67 3e5h h LYS 25 Cb 0.20 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 3e5h h LYS 25 CO 0.00 0.14 -0.05 1.15 -0.57 0.00 0.00 179.45 180.13 3e5h h THR 26 N 0.23 1.27 -0.85 -0.16 2.02 -1.95 -1.26 112.91 112.21 3e5h h THR 26 Ca 0.09 -1.19 -0.03 0.00 0.77 0.00 0.00 66.41 66.05 3e5h h THR 26 Cb 0.03 0.91 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3e5h h THR 26 CO -0.06 0.43 0.42 0.28 0.37 0.00 0.00 175.52 176.95 3e5h h SER 27 N 0.90 1.10 -0.30 4.18 0.02 -1.90 0.12 113.55 117.67 3e5h h SER 27 Ca 0.15 -0.13 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 3e5h h SER 27 Cb 0.61 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 3e5h h SER 27 CO 0.04 0.92 0.12 -0.07 -1.14 0.00 0.00 176.83 176.69 3e5h h LEU 28 N 1.20 0.41 -0.53 5.07 3.38 -0.76 -0.23 115.31 123.85 3e5h h LEU 28 Ca 0.29 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 58.03 3e5h h LEU 28 Cb 0.10 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3e5h h LEU 28 CO -0.04 0.46 0.06 0.74 0.09 0.00 0.00 178.44 179.75 3e5h h THR 29 N 0.33 1.26 -0.03 0.22 2.02 -0.85 -1.97 112.91 113.89 3e5h h THR 29 Ca 0.10 -1.01 -0.15 0.00 0.77 0.00 0.00 66.41 66.12 3e5h h THR 29 Cb 0.18 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.44 3e5h h THR 29 CO -0.01 0.36 -0.65 0.71 0.37 0.00 0.00 175.52 176.30 3e5h h THR 30 N 0.78 1.43 -0.52 3.16 1.35 -0.71 0.22 112.91 118.62 3e5h h THR 30 Ca 0.16 -2.14 -0.01 0.00 -0.55 0.00 0.00 66.41 63.87 3e5h h THR 30 Cb 0.45 2.13 -0.02 0.00 -1.73 0.00 0.00 68.15 68.97 3e5h h THR 30 CO 0.02 0.62 0.30 0.00 -0.25 0.00 0.00 175.52 176.20 3e5h h PHE 32 N 0.70 0.09 0.00 0.00 -0.00 -1.13 -1.11 116.94 115.48 3e5h h PHE 32 Ca 0.19 -0.03 -0.10 0.00 -0.00 0.00 0.00 57.97 58.02 3e5h h PHE 32 Cb 0.03 -0.02 -0.01 0.00 -0.00 0.00 0.00 35.95 35.95 3e5h h PHE 32 CO -0.02 0.56 -0.50 0.00 -0.00 0.00 0.00 178.31 178.35 3e5h h ALA 33 N 0.52 0.70 0.00 2.41 0.00 -0.54 -3.38 119.26 118.96 3e5h h ALA 33 Ca 0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 3e5h h ALA 33 Cb 0.54 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.25 3e5h h ALA 33 CO 0.01 0.62 0.00 0.00 0.00 0.00 0.00 179.25 179.88 3e5h n GLN 34 N -3.25 0.00 -3.50 0.00 10.64 -0.62 -4.93 117.38 115.72 3e5h n GLN 34 Ca 0.02 -0.24 -0.21 0.00 -1.83 0.00 0.00 57.00 54.74 3e5h n GLN 34 Cb 0.72 -0.30 0.03 0.00 -0.86 0.00 0.00 30.24 29.83 3e5h n GLN 34 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 3e5h n GLU 35 N 0.00 -1.42 -3.70 2.61 1.02 -0.42 -4.97 120.64 113.77 3e5h n GLU 35 Ca 0.00 0.81 -0.11 0.00 -0.02 0.00 0.00 57.16 57.83 3e5h n GLU 35 Cb 0.45 -4.42 -0.06 0.00 -0.02 0.00 0.00 31.44 27.39 3e5h n GLU 35 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 3e5h s THR 36 N -3.26 0.08 -0.04 2.62 -1.32 -1.19 -4.97 115.64 107.56 3e5h s THR 36 Ca 0.28 -0.62 -0.05 0.00 -1.21 0.00 0.00 61.69 60.10 3e5h s THR 36 Cb -0.09 -1.03 0.01 0.00 -1.51 0.00 0.00 72.50 69.88 3e5h s THR 36 CO 0.83 -0.34 0.12 0.12 -2.21 0.00 0.00 174.62 173.14 3e5h s PHE 37 N -2.94 -0.10 -0.05 9.09 5.36 -1.26 -3.38 117.98 124.70 3e5h s PHE 37 Ca -0.02 0.24 0.04 0.00 -0.96 0.00 0.00 56.93 56.23 3e5h s PHE 37 Cb 0.00 0.03 0.00 0.00 -0.34 0.00 0.00 43.02 42.71 3e5h s PHE 37 CO -0.06 -0.10 -0.16 0.20 -1.46 0.00 0.00 175.22 173.65 3e5h s GLY 38 N -0.18 0.89 0.10 13.12 0.00 -1.26 -5.04 107.32 114.95 3e5h s GLY 38 Ca -0.02 -0.62 -0.05 0.00 0.00 0.00 0.00 44.72 44.03 3e5h s GLY 38 CO 0.00 -0.23 1.22 0.50 0.00 0.00 0.00 173.10 174.59 3e5h h LYS 39 N 6.44 0.36 -6.20 2.90 1.57 -2.03 -3.44 116.57 116.16 3e5h h LYS 39 Ca -0.31 -0.48 -0.56 0.00 -1.87 0.00 0.00 60.65 57.43 3e5h h LYS 39 Cb 1.18 0.16 -0.04 0.00 0.08 0.00 0.00 32.23 33.61 3e5h h LYS 39 CO 0.48 1.17 0.78 -1.14 -0.57 0.00 0.00 179.45 180.17 3e5h s GLN 40 N -2.97 4.30 -0.07 3.15 0.74 -1.26 -4.97 119.66 118.58 3e5h s GLN 40 Ca -0.05 1.58 -0.30 0.00 0.05 0.00 0.00 55.36 56.64 3e5h s GLN 40 Cb 0.08 -3.65 -0.04 0.00 1.10 0.00 0.00 33.01 30.49 3e5h s GLN 40 CO 0.88 -0.57 1.47 -0.47 -0.55 0.00 0.00 175.29 176.05 3e5h s TYR 41 N 2.87 2.48 -0.29 1.67 5.04 -1.26 -4.99 117.35 122.87 3e5h s TYR 41 Ca 0.52 0.61 0.03 0.00 -2.44 0.00 0.00 57.07 55.79 3e5h s TYR 41 Cb -0.21 -3.73 0.07 0.00 0.35 0.00 0.00 41.96 38.45 3e5h s TYR 41 CO 0.16 -2.83 -0.04 0.15 -1.34 0.00 0.00 175.55 171.64 3e5h s LYS 42 N 3.39 1.89 0.28 4.97 1.02 -1.26 -5.10 119.74 124.93 3e5h s LYS 42 Ca 0.65 -1.50 -0.30 0.00 0.02 0.00 0.00 55.97 54.84 3e5h s LYS 42 Cb -0.29 -2.96 -0.11 0.00 -0.52 0.00 0.00 37.83 33.95 3e5h s LYS 42 CO 0.24 -0.71 1.55 -1.14 -0.92 0.00 0.00 175.35 174.37 3e5h s GLN 43 N 1.06 4.16 -0.19 1.68 0.74 -1.26 -4.96 119.66 120.89 3e5h s GLN 43 Ca -0.01 2.50 -0.27 0.00 0.05 0.00 0.00 55.36 57.63 3e5h s GLN 43 Cb -0.19 -3.04 -0.01 0.00 1.10 0.00 0.00 33.01 30.86 3e5h s GLN 43 CO -0.07 -0.57 0.91 0.99 -0.55 0.00 0.00 175.29 176.00 3e5h s THR 44 N -0.03 4.80 -0.31 -0.34 2.01 -1.26 -5.02 115.64 115.49 3e5h s THR 44 Ca 0.62 1.78 -0.16 0.00 0.31 0.00 0.00 61.69 64.24 3e5h s THR 44 Cb -0.46 -4.20 -0.02 0.00 0.01 0.00 0.00 72.50 67.82 3e5h s THR 44 CO 0.47 -0.06 0.42 -0.63 -0.69 0.00 0.00 174.62 174.13 3e5h s ILE 45 N 2.57 5.12 0.00 1.82 -1.09 -1.26 -4.35 121.20 124.02 3e5h s ILE 45 Ca 0.40 0.39 0.00 0.00 -2.23 0.00 0.00 60.65 59.22 3e5h s ILE 45 Cb -0.16 -3.81 0.00 0.00 -1.58 0.00 0.00 42.46 36.91 3e5h s ILE 45 CO 0.10 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.41 3e5h n GLY 46 N 4.77 2.10 3.74 6.18 0.00 -1.26 -4.80 105.19 115.91 3e5h n GLY 46 Ca -0.07 -0.07 -0.07 0.00 0.00 0.00 0.00 46.02 45.81 3e5h n GLY 46 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 3e5h s LEU 47 N 0.00 -0.29 0.16 0.99 0.05 -1.26 -0.09 118.68 118.23 3e5h s LEU 47 Ca 0.00 -0.41 0.01 0.00 0.05 0.00 0.00 54.13 53.77 3e5h s LEU 47 Cb 0.00 2.51 -0.04 0.00 -2.05 0.00 0.00 46.19 46.60 3e5h s LEU 47 CO 0.00 -1.12 0.02 -0.62 -0.55 0.00 0.00 176.35 174.08 3e5h s ASP 48 N -2.87 0.90 -0.04 1.48 -1.08 0.08 -4.97 116.67 110.18 3e5h s ASP 48 Ca 0.09 -1.19 0.02 0.00 -0.52 0.00 0.00 52.55 50.96 3e5h s ASP 48 Cb -0.04 0.18 0.01 0.00 -1.46 0.00 0.00 42.92 41.62 3e5h s ASP 48 CO 0.01 -0.63 -0.08 0.12 0.52 0.00 0.00 175.17 175.12 3e5h s PHE 49 N -3.79 0.94 0.12 -5.34 5.36 -1.26 -0.53 117.98 113.47 3e5h s PHE 49 Ca 0.24 -0.27 0.06 0.00 -0.96 0.00 0.00 56.93 55.99 3e5h s PHE 49 Cb 0.07 -0.73 -0.04 0.00 -0.34 0.00 0.00 43.02 41.98 3e5h s PHE 49 CO 0.03 -0.17 -0.14 -0.06 -1.46 0.00 0.00 175.22 173.42 3e5h s PHE 50 N 0.59 1.37 -0.04 10.12 0.08 -0.05 -4.99 117.98 125.06 3e5h s PHE 50 Ca -0.09 -0.56 0.04 0.00 0.12 0.00 0.00 56.93 56.44 3e5h s PHE 50 Cb -0.12 -0.72 -0.00 0.00 -0.57 0.00 0.00 43.02 41.60 3e5h s PHE 50 CO 0.01 0.13 -0.16 -0.51 -0.10 0.00 0.00 175.22 174.59 3e5h s LEU 51 N -2.45 1.92 -0.09 -0.37 1.43 -1.26 -0.40 118.68 117.45 3e5h s LEU 51 Ca 0.09 -0.33 -0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3e5h s LEU 51 Cb -0.05 -0.90 0.04 0.00 0.03 0.00 0.00 46.19 45.31 3e5h s LEU 51 CO 0.03 0.15 0.22 -0.60 0.23 0.00 0.00 176.35 176.38 3e5h s ARG 52 N -0.01 0.19 -0.11 1.70 3.52 -0.78 -4.97 118.95 118.47 3e5h s ARG 52 Ca -0.02 0.47 -0.13 0.00 -0.13 0.00 0.00 55.73 55.92 3e5h s ARG 52 Cb -0.10 -0.10 -0.05 0.00 -1.56 0.00 0.00 34.95 33.13 3e5h s ARG 52 CO 0.01 -0.15 0.30 0.50 -0.81 0.00 0.00 175.30 175.16 3e5h s ARG 53 N 1.10 4.03 0.18 5.12 3.52 -1.26 -0.70 118.95 130.93 3e5h s ARG 53 Ca -0.08 0.14 0.06 0.00 -0.13 0.00 0.00 55.73 55.72 3e5h s ARG 53 Cb -0.09 -3.33 -0.05 0.00 -1.56 0.00 0.00 34.95 29.92 3e5h s ARG 53 CO -0.07 0.45 -0.12 0.96 -0.81 0.00 0.00 175.30 175.71 3e5h s ILE 54 N -0.18 1.44 -0.29 4.11 -4.36 0.06 -4.98 121.20 116.99 3e5h s ILE 54 Ca 0.18 -2.13 -0.04 0.00 -0.26 0.00 0.00 60.65 58.40 3e5h s ILE 54 Cb -0.14 -1.96 0.03 0.00 1.25 0.00 0.00 42.46 41.64 3e5h s ILE 54 CO 0.06 -0.66 0.02 -0.89 0.24 0.00 0.00 174.94 173.71 3e5h s THR 55 N -3.16 3.42 0.65 8.37 2.01 -1.26 -1.19 115.64 124.48 3e5h s THR 55 Ca 0.20 -0.98 -0.07 0.00 0.31 0.00 0.00 61.69 61.15 3e5h s THR 55 Cb 0.01 -2.81 0.03 0.00 0.01 0.00 0.00 72.50 69.74 3e5h s THR 55 CO 0.04 0.05 0.98 -0.76 -0.69 0.00 0.00 174.62 174.24 3e5h s LEU 56 N 1.39 3.02 0.40 4.42 1.43 0.11 -4.85 118.68 124.60 3e5h s LEU 56 Ca -0.00 0.69 -0.25 0.00 -1.03 0.00 0.00 54.13 53.53 3e5h s LEU 56 Cb -0.18 -3.44 -0.11 0.00 0.03 0.00 0.00 46.19 42.50 3e5h s LEU 56 CO -0.00 -1.31 1.08 -2.65 0.23 0.00 0.00 176.35 173.70 3e5h n PRO 57 N -2.78 1.53 -0.69 1.29 -0.02 -1.26 -1.24 135.00 131.82 3e5h n PRO 57 Ca 0.06 0.54 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 3e5h n PRO 57 Cb 0.59 -2.10 0.00 0.00 -0.02 0.00 0.00 33.50 31.96 3e5h n PRO 57 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3e5h n GLY 58 N 1.08 0.58 3.56 -1.23 0.00 -1.26 -3.95 105.19 103.97 3e5h n GLY 58 Ca 0.08 -0.64 -0.20 0.00 0.00 0.00 0.00 46.02 45.27 3e5h n GLY 58 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3e5h n ASN 59 N 1.17 -2.14 -4.34 1.61 3.02 -1.00 -4.94 115.26 108.64 3e5h n ASN 59 Ca 0.00 -0.69 -0.44 0.00 -0.03 0.00 0.00 54.58 53.42 3e5h n ASN 59 Cb 0.00 -4.69 -0.07 0.00 -0.61 0.00 0.00 39.78 34.40 3e5h n ASN 59 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3e5h s LEU 60 N -6.57 5.70 -0.07 3.41 2.96 -0.37 -4.93 118.68 118.80 3e5h s LEU 60 Ca 0.07 -1.49 -0.21 0.00 -0.22 0.00 0.00 54.13 52.28 3e5h s LEU 60 Cb -0.03 -2.15 -0.04 0.00 0.50 0.00 0.00 46.19 44.46 3e5h s LEU 60 CO 0.76 -0.68 0.60 0.20 -1.32 0.00 0.00 176.35 175.91 3e5h s ASN 61 N 2.78 6.88 -0.01 3.68 0.01 -1.26 0.07 114.94 127.09 3e5h s ASN 61 Ca 0.04 1.05 0.00 0.00 -0.71 0.00 0.00 52.86 53.24 3e5h s ASN 61 Cb -0.26 -2.36 0.01 0.00 0.41 0.00 0.00 41.25 39.05 3e5h s ASN 61 CO 0.05 -0.03 -0.00 -0.69 -1.51 0.00 0.00 177.10 174.91 3e5h s VAL 62 N 0.54 0.06 -0.22 1.60 1.01 -0.34 -4.69 120.40 118.37 3e5h s VAL 62 Ca 0.32 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.26 3e5h s VAL 62 Cb -0.17 -0.10 -0.03 0.00 0.00 0.00 0.00 36.38 36.08 3e5h s VAL 62 CO 0.15 0.05 0.05 -0.89 0.00 0.00 0.00 175.10 174.46 3e5h s THR 63 N 0.31 4.33 -0.25 3.92 2.01 0.32 -0.76 115.64 125.52 3e5h s THR 63 Ca -0.03 -0.18 -0.20 0.00 0.31 0.00 0.00 61.69 61.60 3e5h s THR 63 Cb -0.04 -2.99 -0.02 0.00 0.01 0.00 0.00 72.50 69.45 3e5h s THR 63 CO -0.01 0.39 0.60 -0.76 -0.69 0.00 0.00 174.62 174.14 3e5h s LEU 64 N 1.18 4.07 -0.58 4.42 1.02 0.12 -0.86 118.68 128.05 3e5h s LEU 64 Ca 0.04 0.68 -0.19 0.00 0.02 0.00 0.00 54.13 54.68 3e5h s LEU 64 Cb -0.14 -2.80 0.10 0.00 0.02 0.00 0.00 46.19 43.36 3e5h s LEU 64 CO 0.03 -0.33 0.70 -1.10 0.02 0.00 0.00 176.35 175.67 3e5h s GLN 65 N 2.33 3.06 -0.26 1.70 -0.21 0.62 -1.87 119.66 125.02 3e5h s GLN 65 Ca 0.25 -1.24 -0.13 0.00 0.02 0.00 0.00 55.36 54.26 3e5h s GLN 65 Cb -0.16 -4.24 -0.04 0.00 1.00 0.00 0.00 33.01 29.57 3e5h s GLN 65 CO 0.09 -1.51 0.29 0.42 -2.12 0.00 0.00 175.29 172.46 3e5h s ILE 66 N 2.73 5.24 -0.47 1.08 1.01 0.46 -0.84 121.20 130.41 3e5h s ILE 66 Ca 0.12 0.40 -0.16 0.00 0.00 0.00 0.00 60.65 61.01 3e5h s ILE 66 Cb -0.23 -3.62 0.07 0.00 0.01 0.00 0.00 42.46 38.68 3e5h s ILE 66 CO 0.07 0.22 0.41 0.26 0.00 0.00 0.00 174.94 175.90 3e5h s TRP 67 N 1.80 3.23 -0.59 3.97 0.52 0.51 -0.87 118.94 127.50 3e5h s TRP 67 Ca 0.12 -0.86 -0.21 0.00 0.02 0.00 0.00 56.10 55.17 3e5h s TRP 67 Cb -0.16 -3.15 0.07 0.00 -1.15 0.00 0.00 33.47 29.08 3e5h s TRP 67 CO 0.10 -0.80 0.84 0.34 0.02 0.00 0.00 176.95 177.45 3e5h s ASP 68 N 2.53 6.22 0.05 2.95 2.15 0.30 -0.95 116.67 129.92 3e5h s ASP 68 Ca 0.05 -0.93 -0.20 0.00 0.43 0.00 0.00 52.55 51.90 3e5h s ASP 68 Cb -0.23 -2.37 -0.06 0.00 -0.30 0.00 0.00 42.92 39.95 3e5h s ASP 68 CO 0.07 -1.23 0.60 -0.63 -0.17 0.00 0.00 175.17 173.81 3e5h s ILE 69 N 3.49 4.78 0.29 4.11 -1.09 -1.10 -0.74 121.20 130.93 3e5h s ILE 69 Ca 0.20 1.27 -0.29 0.00 -2.23 0.00 0.00 60.65 59.60 3e5h s ILE 69 Cb -0.18 -3.93 -0.10 0.00 -1.58 0.00 0.00 42.46 36.67 3e5h s ILE 69 CO 0.12 0.50 1.20 -0.83 -1.23 0.00 0.00 174.94 174.70 3e5h s GLY 70 N -0.75 2.99 0.58 6.18 0.00 0.87 -4.84 107.32 112.35 3e5h s GLY 70 Ca 0.30 1.07 0.27 0.00 0.00 0.00 0.00 44.72 46.37 3e5h s GLY 70 CO 0.19 1.72 2.19 -1.33 0.00 0.00 0.00 173.10 175.87 3e5h h GLY 71 N 3.76 0.00 1.90 0.20 0.00 -1.77 -1.72 103.07 105.43 3e5h h GLY 71 Ca -0.47 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.86 3e5h h GLY 71 CO 0.67 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 176.15 3e5h n GLN 72 N -3.95 0.09 0.25 4.80 1.13 -1.26 -3.55 117.38 114.89 3e5h n GLN 72 Ca -0.01 0.04 0.17 0.00 -1.94 0.00 0.00 57.00 55.26 3e5h n GLN 72 Cb 0.17 -1.50 0.78 0.00 0.11 0.00 0.00 30.24 29.80 3e5h n GLN 72 CO 0.00 0.00 0.00 1.79 -1.44 0.00 0.00 177.06 177.41 3e5h h THR 73 N 0.00 0.00 0.00 5.09 1.35 -1.64 -2.20 112.91 115.51 3e5h h THR 73 Ca 0.00 -0.26 -0.00 0.00 -0.55 0.00 0.00 66.41 65.60 3e5h h THR 73 Cb 0.41 1.13 -0.00 0.00 -1.73 0.00 0.00 68.15 67.96 3e5h h THR 73 CO 0.00 0.00 -0.01 -0.29 -0.25 0.00 0.00 175.52 174.97 3e5h h ILE 74 N 0.00 0.10 -0.00 6.82 6.09 -1.78 -2.01 117.51 126.73 3e5h h ILE 74 Ca 0.00 -0.14 0.00 0.00 -1.37 0.00 0.00 64.86 63.35 3e5h h ILE 74 Cb 0.28 1.12 0.00 0.00 0.47 0.00 0.00 36.82 38.69 3e5h h ILE 74 CO 0.00 0.01 -0.05 0.61 -3.07 0.00 0.00 178.15 175.65 3e5h n GLY 75 N -0.87 -1.33 0.00 8.18 0.00 -0.83 -4.91 105.19 105.43 3e5h n GLY 75 Ca -0.02 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.84 3e5h n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3e5h n GLY 76 N 1.39 4.25 0.00 -0.02 0.00 -0.76 -5.07 105.19 104.99 3e5h n GLY 76 Ca 0.11 -2.05 0.10 0.00 0.00 0.00 0.00 46.02 44.17 3e5h n GLY 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3e5h n LYS 77 N 0.00 0.13 0.24 1.61 4.76 -1.26 -4.26 118.16 119.38 3e5h n LYS 77 Ca 0.00 -0.01 0.08 0.00 -2.87 0.00 0.00 58.31 55.51 3e5h n LYS 77 Cb 0.00 -1.49 0.59 0.00 -1.84 0.00 0.00 35.03 32.30 3e5h n LYS 77 CO 0.00 0.00 0.00 1.98 -1.37 0.00 0.00 177.40 178.01 3e5h h MET 78 N 0.00 0.00 -0.78 1.97 4.05 -1.98 -2.99 114.93 115.21 3e5h h MET 78 Ca 0.00 0.00 0.09 0.00 -0.28 0.00 0.00 59.70 59.51 3e5h h MET 78 Cb 0.51 0.00 -0.07 0.00 -0.80 0.00 0.00 31.60 31.24 3e5h h MET 78 CO 0.00 0.15 0.43 1.25 0.23 0.00 0.00 176.91 178.97 3e5h h LEU 79 N 0.00 0.61 -1.14 3.39 5.85 -1.76 -1.72 115.31 120.54 3e5h h LEU 79 Ca -0.00 0.05 0.05 0.00 0.84 0.00 0.00 57.88 58.82 3e5h h LEU 79 Cb 0.28 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.19 3e5h h LEU 79 CO 0.02 0.36 0.59 0.44 -0.34 0.00 0.00 178.44 179.51 3e5h h ASP 80 N 0.74 0.94 0.26 1.25 5.19 -1.83 -1.48 116.42 121.49 3e5h h ASP 80 Ca 0.37 -0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 56.63 3e5h h ASP 80 Cb 0.34 -0.20 -0.01 0.00 0.18 0.00 0.00 39.33 39.63 3e5h h ASP 80 CO -0.24 0.62 -0.59 0.11 -3.12 0.00 0.00 179.24 176.02 3e5h h LYS 81 N 1.07 0.34 -0.26 3.56 1.57 -1.48 -2.42 116.57 118.95 3e5h h LYS 81 Ca 0.38 -0.22 -0.10 0.00 -1.87 0.00 0.00 60.65 58.84 3e5h h LYS 81 Cb 0.12 0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.45 3e5h h LYS 81 CO -0.13 0.83 -0.25 1.88 -0.57 0.00 0.00 179.45 181.20 3e5h h TYR 82 N 0.25 0.55 0.00 -1.35 0.05 -0.80 -3.06 116.97 112.62 3e5h h TYR 82 Ca -0.00 -0.12 -0.18 0.00 0.05 0.00 0.00 58.73 58.48 3e5h h TYR 82 Cb 1.10 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 38.68 3e5h h TYR 82 CO 0.03 0.71 -0.84 0.82 -1.05 0.00 0.00 178.16 177.82 3e5h h ILE 83 N 0.44 1.59 -1.89 -2.88 2.04 -1.17 -3.45 117.51 112.18 3e5h h ILE 83 Ca 0.06 -2.84 -0.64 0.00 1.00 0.00 0.00 64.86 62.43 3e5h h ILE 83 Cb 0.67 2.54 0.06 0.00 -0.74 0.00 0.00 36.82 39.35 3e5h h ILE 83 CO 0.05 0.81 0.58 0.00 0.00 0.00 0.00 178.15 179.59 3e5h n TYR 84 N -3.56 1.79 -0.87 1.37 9.36 -0.92 -1.88 117.16 122.45 3e5h n TYR 84 Ca -0.01 0.50 0.00 0.00 3.32 0.00 0.00 57.90 61.72 3e5h n TYR 84 Cb 0.80 -2.41 0.00 0.00 -0.63 0.00 0.00 39.34 37.10 3e5h n TYR 84 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 3e5h n GLY 85 N 2.85 0.69 3.77 2.98 0.00 -1.26 -5.02 105.19 109.19 3e5h n GLY 85 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 3e5h n GLY 85 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3e5h s ALA 86 N -2.59 3.49 -0.04 4.61 0.00 -0.79 -4.75 121.76 121.70 3e5h s ALA 86 Ca 0.00 1.21 0.12 0.00 0.00 0.00 0.00 51.96 53.29 3e5h s ALA 86 Cb 0.00 -3.46 -0.23 0.00 0.00 0.00 0.00 23.12 19.43 3e5h s ALA 86 CO 0.00 -0.58 0.68 1.96 0.00 0.00 0.00 175.76 177.81 3e5h h GLN 87 N 3.61 0.00 -3.93 0.00 7.50 -1.21 -3.39 115.11 117.69 3e5h h GLN 87 Ca -0.48 -0.01 -0.18 0.00 0.50 0.00 0.00 58.65 58.48 3e5h h GLN 87 Cb 1.22 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.53 3e5h h GLN 87 CO 0.67 0.52 -0.70 0.20 -1.50 0.00 0.00 178.83 178.01 3e5h s GLY 88 N -5.10 0.19 -0.07 3.46 0.00 -0.86 -1.61 107.32 103.33 3e5h s GLY 88 Ca -0.05 -0.46 0.02 0.00 0.00 0.00 0.00 44.72 44.24 3e5h s GLY 88 CO 0.82 -0.51 -0.13 0.14 0.00 0.00 0.00 173.10 173.43 3e5h s VAL 89 N -1.13 1.17 -0.24 1.40 1.01 0.23 -1.10 120.40 121.75 3e5h s VAL 89 Ca -0.12 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.27 3e5h s VAL 89 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.19 3e5h s VAL 89 CO -0.01 0.36 0.13 -0.76 0.00 0.00 0.00 175.10 174.83 3e5h s LEU 90 N 0.66 3.92 -0.47 3.92 1.02 0.28 -0.72 118.68 127.29 3e5h s LEU 90 Ca -0.15 0.02 -0.16 0.00 0.02 0.00 0.00 54.13 53.87 3e5h s LEU 90 Cb -0.16 -2.05 0.06 0.00 0.02 0.00 0.00 46.19 44.07 3e5h s LEU 90 CO 0.04 0.05 0.42 -0.76 0.02 0.00 0.00 176.35 176.11 3e5h s LEU 91 N 1.16 5.44 -0.12 1.79 1.43 0.58 -0.62 118.68 128.34 3e5h s LEU 91 Ca 0.06 -1.19 -0.05 0.00 -1.03 0.00 0.00 54.13 51.92 3e5h s LEU 91 Cb -0.14 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 3e5h s LEU 91 CO 0.05 -0.66 0.05 -0.69 0.23 0.00 0.00 176.35 175.33 3e5h s VAL 92 N 1.81 4.75 0.14 -1.59 1.01 -0.09 -0.57 120.40 125.85 3e5h s VAL 92 Ca 0.06 -0.07 0.01 0.00 0.00 0.00 0.00 61.98 61.97 3e5h s VAL 92 Cb -0.23 -3.06 -0.04 0.00 0.00 0.00 0.00 36.38 33.05 3e5h s VAL 92 CO 0.08 0.57 0.01 -0.72 0.00 0.00 0.00 175.10 175.04 3e5h s TYR 93 N -0.56 0.98 -0.28 5.22 -0.85 -0.49 -4.31 117.35 117.05 3e5h s TYR 93 Ca 0.11 -1.09 -0.18 0.00 -0.52 0.00 0.00 57.07 55.39 3e5h s TYR 93 Cb -0.12 -0.57 -0.02 0.00 0.38 0.00 0.00 41.96 41.63 3e5h s TYR 93 CO 0.02 -0.33 0.51 0.34 -1.52 0.00 0.00 175.55 174.57 3e5h s ASP 94 N -3.09 6.39 0.26 -0.18 -1.08 -1.26 -0.56 116.67 117.15 3e5h s ASP 94 Ca 0.21 0.38 0.20 0.00 -0.52 0.00 0.00 52.55 52.82 3e5h s ASP 94 Cb 0.07 -2.27 0.99 0.00 -1.46 0.00 0.00 42.92 40.24 3e5h s ASP 94 CO 0.01 -0.33 1.61 2.30 0.52 0.00 0.00 175.17 179.28 3e5h n ILE 95 N 5.23 1.05 1.18 4.11 -5.35 -0.77 -1.11 119.36 123.70 3e5h n ILE 95 Ca -0.04 0.53 0.13 0.00 -0.27 0.00 0.00 62.75 63.09 3e5h n ILE 95 Cb 0.50 -1.50 0.29 0.00 -1.74 0.00 0.00 39.64 37.19 3e5h n ILE 95 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 3e5h n THR 96 N -2.15 0.03 -3.85 7.28 -2.24 -1.26 -0.67 114.28 111.42 3e5h n THR 96 Ca 0.00 -0.40 -0.30 0.00 -2.27 0.00 0.00 64.05 61.08 3e5h n THR 96 Cb 0.10 1.02 -0.15 0.00 -2.10 0.00 0.00 70.33 69.20 3e5h n THR 96 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3e5h s ASN 97 N -1.96 4.28 0.22 3.42 3.84 -0.27 -4.55 114.94 119.92 3e5h s ASN 97 Ca 0.33 -1.79 -0.09 0.00 0.21 0.00 0.00 52.86 51.51 3e5h s ASN 97 Cb 0.20 -1.15 0.20 0.00 -0.55 0.00 0.00 41.25 39.95 3e5h s ASN 97 CO 0.31 -0.39 1.88 0.22 -2.79 0.00 0.00 177.10 176.33 3e5h h TYR 98 N 7.91 0.96 -0.56 0.43 3.20 -1.89 -2.11 116.97 124.92 3e5h h TYR 98 Ca -0.10 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.78 3e5h h TYR 98 Cb 1.02 -0.32 -0.03 0.00 1.54 0.00 0.00 36.73 38.94 3e5h h TYR 98 CO 0.40 0.58 0.32 1.96 -1.64 0.00 0.00 178.16 179.78 3e5h h GLN 99 N 1.02 0.75 -0.34 1.82 4.20 -1.94 0.03 115.11 120.65 3e5h h GLN 99 Ca 0.30 -0.07 -0.03 0.00 0.06 0.00 0.00 58.65 58.91 3e5h h GLN 99 Cb -0.06 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 27.55 3e5h h GLN 99 CO -0.09 0.54 0.07 0.66 -0.67 0.00 0.00 178.83 179.35 3e5h h SER 100 N 0.77 0.45 -0.01 1.46 4.64 -1.71 0.35 113.55 119.49 3e5h h SER 100 Ca 0.20 -0.06 -0.03 0.00 -0.47 0.00 0.00 61.79 61.43 3e5h h SER 100 Cb -0.01 -0.11 0.00 0.00 -0.31 0.00 0.00 62.40 61.97 3e5h h SER 100 CO -0.04 0.46 -0.10 0.15 -0.87 0.00 0.00 176.83 176.44 3e5h h PHE 101 N 0.48 0.13 -0.24 4.77 3.57 -1.05 -3.26 116.94 121.33 3e5h h PHE 101 Ca 0.11 -0.06 -0.02 0.00 3.53 0.00 0.00 57.97 61.53 3e5h h PHE 101 Cb 0.20 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3e5h h PHE 101 CO 0.01 0.77 0.05 1.05 -2.23 0.00 0.00 178.31 177.95 3e5h h GLU 102 N -0.55 0.34 0.00 1.11 4.11 -0.84 -1.58 114.58 117.17 3e5h h GLU 102 Ca -0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.36 59.38 3e5h h GLU 102 Cb 0.78 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.97 3e5h h GLU 102 CO 0.02 0.34 0.00 -0.91 0.07 0.00 0.00 179.01 178.53 3e5h h ASN 103 N 0.34 0.00 0.15 3.06 2.35 -0.98 -2.83 115.58 117.66 3e5h h ASN 103 Ca 0.08 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.82 3e5h h ASN 103 Cb 0.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.53 3e5h h ASN 103 CO -0.00 0.00 -0.04 -0.07 -1.65 0.00 0.00 177.43 175.67 3e5h h LEU 104 N 0.00 0.00 -1.32 1.61 3.38 -1.33 -0.71 115.31 116.94 3e5h h LEU 104 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 3e5h h LEU 104 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 3e5h h LEU 104 CO 0.00 0.04 0.47 1.05 0.09 0.00 0.00 178.44 180.09 3e5h h GLU 105 N 0.00 0.90 -0.13 1.13 4.11 -1.69 0.84 114.58 119.73 3e5h h GLU 105 Ca -0.00 -0.05 -0.05 0.00 0.07 0.00 0.00 59.36 59.32 3e5h h GLU 105 Cb 0.13 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.17 3e5h h GLU 105 CO 0.01 0.59 -0.12 -0.44 0.07 0.00 0.00 179.01 179.12 3e5h h ASP 106 N 0.92 0.33 -0.46 3.06 3.32 -1.35 -0.92 116.42 121.31 3e5h h ASP 106 Ca 0.27 -0.47 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3e5h h ASP 106 Cb -0.05 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 3e5h h ASP 106 CO -0.06 0.73 0.23 -0.50 -1.72 0.00 0.00 179.24 177.92 3e5h h TRP 107 N -0.07 0.66 -0.07 4.55 4.06 -1.38 -2.86 115.95 120.84 3e5h h TRP 107 Ca 0.02 -0.03 -0.11 0.00 2.06 0.00 0.00 58.89 60.84 3e5h h TRP 107 Cb 0.63 -0.21 -0.01 0.00 -1.00 0.00 0.00 29.16 28.57 3e5h h TRP 107 CO 0.08 0.52 -0.45 -0.92 -3.56 0.00 0.00 178.44 174.11 3e5h h TYR 108 N 0.61 0.18 -0.73 0.49 3.20 -0.81 -1.78 116.97 118.13 3e5h h TYR 108 Ca 0.16 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.02 3e5h h TYR 108 Cb 0.10 -0.04 -0.05 0.00 1.54 0.00 0.00 36.73 38.28 3e5h h TYR 108 CO -0.01 0.58 0.45 1.15 -1.64 0.00 0.00 178.16 178.68 3e5h h THR 109 N 0.13 1.05 -0.43 1.81 2.02 -0.97 -0.25 112.91 116.27 3e5h h THR 109 Ca 0.01 -0.29 -0.05 0.00 0.77 0.00 0.00 66.41 66.85 3e5h h THR 109 Cb 0.85 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 67.37 3e5h h THR 109 CO 0.07 0.15 0.07 0.58 0.37 0.00 0.00 175.52 176.77 3e5h h VAL 110 N 0.85 1.24 -0.40 3.16 2.07 -1.21 -1.15 116.25 120.80 3e5h h VAL 110 Ca 0.31 -0.87 0.06 0.00 0.82 0.00 0.00 66.70 67.02 3e5h h VAL 110 Cb 0.09 0.98 -0.05 0.00 -1.52 0.00 0.00 31.29 30.79 3e5h h VAL 110 CO -0.14 0.30 0.09 0.58 0.02 0.00 0.00 177.57 178.42 3e5h h VAL 111 N 0.57 0.80 -0.67 2.57 2.07 -0.81 -0.61 116.25 120.17 3e5h h VAL 111 Ca 0.13 -0.08 -0.05 0.00 0.82 0.00 0.00 66.70 67.53 3e5h h VAL 111 Cb 0.37 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 3e5h h VAL 111 CO 0.01 0.04 0.23 0.11 0.02 0.00 0.00 177.57 177.98 3e5h h LYS 112 N 0.22 1.02 -0.46 1.57 1.57 -0.91 -0.41 116.57 119.17 3e5h h LYS 112 Ca 0.19 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.77 3e5h h LYS 112 Cb 0.23 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3e5h h LYS 112 CO -0.25 0.88 0.30 -0.22 -0.57 0.00 0.00 179.45 179.59 3e5h h LYS 113 N 0.96 0.60 -0.31 3.15 3.64 -0.68 -0.35 116.57 123.58 3e5h h LYS 113 Ca 0.22 -0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.44 3e5h h LYS 113 Cb 0.27 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 3e5h h LYS 113 CO -0.01 0.40 -0.30 0.28 -2.27 0.00 0.00 179.45 177.54 3e5h h VAL 114 N 0.62 1.28 -0.52 2.00 2.07 -0.86 -2.21 116.25 118.63 3e5h h VAL 114 Ca 0.17 -1.43 -0.06 0.00 0.82 0.00 0.00 66.70 66.20 3e5h h VAL 114 Cb -0.07 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 3e5h h VAL 114 CO -0.04 0.46 0.06 0.28 0.02 0.00 0.00 177.57 178.36 3e5h h SER 115 N 0.56 0.78 -0.20 0.57 0.02 -0.70 -0.54 113.55 114.04 3e5h h SER 115 Ca 0.07 -0.17 -0.05 0.00 -0.84 0.00 0.00 61.79 60.80 3e5h h SER 115 Cb 0.80 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 63.13 3e5h h SER 115 CO 0.07 0.81 -0.06 -0.08 -1.14 0.00 0.00 176.83 176.43 3e5h h GLU 116 N 0.78 0.39 0.00 3.45 4.81 -0.83 -0.96 114.58 122.23 3e5h h GLU 116 Ca 0.16 -0.15 -0.12 0.00 -0.13 0.00 0.00 59.36 59.12 3e5h h GLU 116 Cb 0.38 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 29.72 3e5h h GLU 116 CO 0.01 0.65 -0.58 1.05 -0.73 0.00 0.00 179.01 179.42 3e5h h GLU 117 N 0.10 0.00 -0.01 1.92 4.11 -1.28 -2.94 114.58 116.49 3e5h h GLU 117 Ca 0.05 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.48 3e5h h GLU 117 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3e5h h GLU 117 CO 0.02 0.57 -0.33 0.43 0.07 0.00 0.00 179.01 179.78 3e5h n SER 118 N -3.24 0.90 -3.34 3.06 7.64 -0.22 -4.94 113.62 113.48 3e5h n SER 118 Ca 0.02 -0.74 -0.24 0.00 1.01 0.00 0.00 58.87 58.92 3e5h n SER 118 Cb 0.77 0.17 0.02 0.00 -1.01 0.00 0.00 64.21 64.16 3e5h n SER 118 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 3e5h n GLU 119 N -0.86 -4.54 -4.18 1.43 1.02 -0.49 -4.98 120.64 108.04 3e5h n GLU 119 Ca 0.10 0.67 -0.29 0.00 -0.02 0.00 0.00 57.16 57.63 3e5h n GLU 119 Cb 0.35 -5.49 -0.02 0.00 -0.02 0.00 0.00 31.44 26.25 3e5h n GLU 119 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3e5h s THR 120 N -3.10 1.38 -0.47 2.62 -4.23 -0.49 -5.03 115.64 106.32 3e5h s THR 120 Ca 0.42 -1.66 0.06 0.00 -1.18 0.00 0.00 61.69 59.34 3e5h s THR 120 Cb -0.21 -2.04 0.23 0.00 1.34 0.00 0.00 72.50 71.83 3e5h s THR 120 CO 0.52 0.00 0.77 1.67 -0.54 0.00 0.00 174.62 177.03 3e5h n GLN 121 N -1.65 0.72 -1.97 3.99 7.27 -1.26 -4.63 117.38 119.85 3e5h n GLN 121 Ca -0.08 -2.17 -0.39 0.00 0.07 0.00 0.00 57.00 54.43 3e5h n GLN 121 Cb 0.65 -1.42 0.01 0.00 2.41 0.00 0.00 30.24 31.89 3e5h n GLN 121 CO 0.00 0.00 0.00 -1.25 0.07 0.00 0.00 177.06 175.88 3e5h s PRO 122 N 0.25 3.78 0.25 3.69 0.04 -1.26 -4.96 135.00 136.78 3e5h s PRO 122 Ca 0.33 2.20 -0.30 0.00 0.04 0.00 0.00 61.00 63.27 3e5h s PRO 122 Cb 0.19 -2.64 -0.09 0.00 0.04 0.00 0.00 34.50 31.99 3e5h s PRO 122 CO -0.20 -0.67 1.26 -0.51 0.04 0.00 0.00 177.00 176.93 3e5h s LEU 123 N -2.69 4.45 -0.11 -3.56 1.43 -0.63 -4.82 118.68 112.75 3e5h s LEU 123 Ca 0.60 2.44 0.03 0.00 -1.03 0.00 0.00 54.13 56.17 3e5h s LEU 123 Cb -0.39 -3.62 -0.01 0.00 0.03 0.00 0.00 46.19 42.20 3e5h s LEU 123 CO 0.49 -0.45 -0.20 -0.69 0.23 0.00 0.00 176.35 175.74 3e5h s VAL 124 N -0.48 2.45 -0.08 -1.59 1.01 -1.26 -0.60 120.40 119.84 3e5h s VAL 124 Ca 0.52 -0.89 0.04 0.00 0.00 0.00 0.00 61.98 61.65 3e5h s VAL 124 Cb -0.36 -1.97 -0.01 0.00 0.00 0.00 0.00 36.38 34.04 3e5h s VAL 124 CO 0.43 0.55 -0.20 0.00 0.00 0.00 0.00 175.10 175.87 3e5h s ALA 125 N 0.27 2.35 -0.21 5.51 0.00 0.11 -1.77 121.76 128.01 3e5h s ALA 125 Ca -0.14 -0.98 -0.16 0.00 0.00 0.00 0.00 51.96 50.68 3e5h s ALA 125 Cb -0.17 -0.88 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3e5h s ALA 125 CO 0.07 0.37 0.39 -1.17 0.00 0.00 0.00 175.76 175.41 3e5h s LEU 126 N 0.00 4.14 -0.26 0.00 2.96 0.31 -0.31 118.68 125.52 3e5h s LEU 126 Ca -0.07 0.47 0.02 0.00 -0.22 0.00 0.00 54.13 54.33 3e5h s LEU 126 Cb -0.15 -2.49 0.06 0.00 0.50 0.00 0.00 46.19 44.12 3e5h s LEU 126 CO 0.05 -0.09 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.23 3e5h s VAL 127 N 1.41 1.88 -0.52 1.68 1.01 0.26 -1.17 120.40 124.94 3e5h s VAL 127 Ca 0.18 -1.51 -0.24 0.00 0.00 0.00 0.00 61.98 60.41 3e5h s VAL 127 Cb -0.15 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.18 3e5h s VAL 127 CO 0.08 -0.12 0.90 -0.83 0.00 0.00 0.00 175.10 175.13 3e5h s GLY 128 N 1.22 1.46 0.45 4.51 0.00 -0.00 -1.40 107.32 113.56 3e5h s GLY 128 Ca -0.06 -1.18 0.00 0.00 0.00 0.00 0.00 44.72 43.49 3e5h s GLY 128 CO -0.06 1.99 0.68 0.21 0.00 0.00 0.00 173.10 175.91 3e5h s ASN 129 N 2.67 5.84 -0.41 1.64 2.47 0.27 -1.15 114.94 126.27 3e5h s ASN 129 Ca 0.30 0.30 -0.03 0.00 0.42 0.00 0.00 52.86 53.86 3e5h s ASN 129 Cb -0.12 -1.55 0.00 0.00 -1.45 0.00 0.00 41.25 38.13 3e5h s ASN 129 CO 0.20 -0.70 0.36 0.29 -3.72 0.00 0.00 177.10 173.53 3e5h n LYS 130 N -2.09 -2.44 0.05 0.43 5.02 -0.77 -1.85 118.16 116.52 3e5h n LYS 130 Ca 0.01 0.25 0.10 0.00 -2.02 0.00 0.00 58.31 56.66 3e5h n LYS 130 Cb 0.58 -3.54 0.41 0.00 -0.02 0.00 0.00 35.03 32.46 3e5h n LYS 130 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 3e5h n ILE 131 N -3.22 0.77 0.31 -0.18 -5.35 -0.79 -1.40 119.36 109.51 3e5h n ILE 131 Ca -0.00 0.16 0.20 0.00 -0.27 0.00 0.00 62.75 62.85 3e5h n ILE 131 Cb 0.52 -0.94 1.04 0.00 -1.74 0.00 0.00 39.64 38.52 3e5h n ILE 131 CO 0.00 0.00 0.00 -2.24 -1.76 0.00 0.00 176.55 172.55 3e5h h ASP 132 N 0.00 0.00 -0.81 7.28 2.03 -1.92 -2.08 116.42 120.92 3e5h h ASP 132 Ca 0.00 0.00 -0.35 0.00 -0.73 0.00 0.00 57.03 55.95 3e5h h ASP 132 Cb 0.36 0.00 -0.21 0.00 -0.83 0.00 0.00 39.33 38.65 3e5h h ASP 132 CO 0.00 0.00 0.41 0.18 -1.03 0.00 0.00 179.24 178.80 3e5h n LEU 133 N -2.98 6.15 0.00 0.15 4.77 -0.49 -4.70 117.00 119.90 3e5h n LEU 133 Ca -0.02 -3.46 0.13 0.00 -0.03 0.00 0.00 56.01 52.63 3e5h n LEU 133 Cb 0.12 -0.77 0.57 0.00 -2.33 0.00 0.00 43.42 41.01 3e5h n LEU 133 CO 0.20 0.97 1.17 -0.08 -1.33 0.00 0.00 177.39 178.32 3e5h h GLU 134 N 1.67 0.23 0.00 3.23 4.22 -1.52 0.28 114.58 122.69 3e5h h GLU 134 Ca 0.43 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.86 3e5h h GLU 134 Cb 2.50 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 31.70 3e5h h GLU 134 CO 0.87 0.15 0.00 0.45 -2.18 0.00 0.00 179.01 178.30 3e5h h HIS 135 N 0.23 0.00 -0.18 0.92 3.86 -1.87 -1.75 115.15 116.36 3e5h h HIS 135 Ca 0.22 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.41 3e5h h HIS 135 Cb 0.56 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.02 3e5h h HIS 135 CO -0.00 0.00 -0.02 0.00 0.86 0.00 0.00 177.93 178.77 3e5h n MET 136 N -2.87 2.28 -1.66 2.45 0.00 0.07 -5.03 117.12 112.35 3e5h n MET 136 Ca -0.00 -2.81 -0.44 0.00 0.00 0.00 0.00 57.70 54.45 3e5h n MET 136 Cb 0.20 -1.73 -0.01 0.00 0.00 0.00 0.00 33.22 31.67 3e5h n MET 136 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 175.97 173.84 3e5h n ARG 137 N -0.87 1.85 -0.06 3.17 0.63 -0.66 -4.57 116.66 116.14 3e5h n ARG 137 Ca 0.21 0.65 -0.09 0.00 -0.92 0.00 0.00 57.85 57.70 3e5h n ARG 137 Cb 0.83 -2.18 -0.06 0.00 0.45 0.00 0.00 32.46 31.50 3e5h n ARG 137 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 3e5h n THR 138 N 0.61 0.74 -2.77 5.15 -1.04 0.16 -4.94 114.28 112.19 3e5h n THR 138 Ca 0.08 -0.28 -0.42 0.00 -2.04 0.00 0.00 64.05 61.38 3e5h n THR 138 Cb 0.34 -0.96 -0.03 0.00 -1.82 0.00 0.00 70.33 67.86 3e5h n THR 138 CO 0.00 0.00 0.00 -0.63 -0.64 0.00 0.00 175.07 173.80 3e5h s ILE 139 N -2.26 4.71 0.36 12.58 1.09 -0.96 -5.02 121.20 131.71 3e5h s ILE 139 Ca -0.17 1.72 -0.27 0.00 -1.10 0.00 0.00 60.65 60.82 3e5h s ILE 139 Cb 0.04 -4.25 -0.09 0.00 -1.06 0.00 0.00 42.46 37.10 3e5h s ILE 139 CO 0.30 -0.21 1.27 -0.54 -0.10 0.00 0.00 174.94 175.66 3e5h s LYS 140 N 3.14 4.20 0.46 2.79 1.02 -1.26 -4.90 119.74 125.19 3e5h s LYS 140 Ca 0.40 2.12 0.16 0.00 0.02 0.00 0.00 55.97 58.67 3e5h s LYS 140 Cb -0.14 -2.91 1.12 0.00 -0.52 0.00 0.00 37.83 35.37 3e5h s LYS 140 CO 0.09 -0.29 2.00 -1.35 -0.92 0.00 0.00 175.35 174.88 3e5h h PRO 141 N 3.06 0.29 -0.63 -1.68 0.11 -2.00 -0.97 132.00 130.18 3e5h h PRO 141 Ca -0.49 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3e5h h PRO 141 Cb 1.23 -0.06 -0.03 0.00 0.11 0.00 0.00 31.00 32.25 3e5h h PRO 141 CO 0.64 0.19 0.37 0.93 -0.21 0.00 0.00 178.00 179.92 3e5h h GLU 142 N 0.29 0.86 -0.06 1.05 3.07 -1.99 -0.74 114.58 117.05 3e5h h GLU 142 Ca 0.24 -0.07 -0.23 0.00 -0.50 0.00 0.00 59.36 58.80 3e5h h GLU 142 Cb 0.57 -0.18 0.02 0.00 -0.84 0.00 0.00 28.75 28.32 3e5h h GLU 142 CO -0.05 0.61 -0.85 -0.22 -1.40 0.00 0.00 179.01 177.09 3e5h h LYS 143 N 0.87 0.69 -0.29 2.33 1.63 -1.56 -1.06 116.57 119.18 3e5h h LYS 143 Ca 0.23 -0.65 0.05 0.00 -0.85 0.00 0.00 60.65 59.42 3e5h h LYS 143 Cb -0.02 0.17 -0.05 0.00 -0.60 0.00 0.00 32.23 31.73 3e5h h LYS 143 CO -0.04 1.25 -0.02 1.25 -3.45 0.00 0.00 179.45 178.44 3e5h h HIS 144 N 0.36 -0.05 -0.41 1.91 2.76 -1.20 -0.93 115.15 117.59 3e5h h HIS 144 Ca -0.09 0.02 -0.09 0.00 -2.20 0.00 0.00 60.37 58.01 3e5h h HIS 144 Cb 1.50 0.07 -0.02 0.00 1.55 0.00 0.00 27.41 30.51 3e5h h HIS 144 CO 0.10 -0.07 -0.11 -0.07 -1.30 0.00 0.00 177.93 176.49 3e5h h LEU 145 N 0.06 0.73 -0.49 0.26 3.38 -1.07 -1.86 115.31 116.31 3e5h h LEU 145 Ca 0.14 -0.21 0.00 0.00 0.09 0.00 0.00 57.88 57.90 3e5h h LEU 145 Cb 0.19 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.72 3e5h h LEU 145 CO -0.25 0.86 0.32 -0.09 0.09 0.00 0.00 178.44 179.37 3e5h h ARG 146 N 0.67 0.65 -0.88 1.13 2.43 -0.77 0.20 114.38 117.82 3e5h h ARG 146 Ca 0.11 -0.05 -0.01 0.00 -0.81 0.00 0.00 59.98 59.23 3e5h h ARG 146 Cb 0.58 -0.14 -0.04 0.00 -0.42 0.00 0.00 29.97 29.94 3e5h h ARG 146 CO 0.04 0.45 0.51 0.35 -1.51 0.00 0.00 179.97 179.81 3e5h h PHE 147 N 0.66 1.17 -0.41 2.20 3.57 -0.93 0.21 116.94 123.42 3e5h h PHE 147 Ca 0.18 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 3e5h h PHE 147 Cb -0.05 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 38.29 3e5h h PHE 147 CO -0.04 0.79 0.18 0.00 -2.23 0.00 0.00 178.31 177.01 3e5h h GLN 149 N 0.52 1.08 0.00 0.00 4.20 -0.46 0.22 115.11 120.67 3e5h h GLN 149 Ca 0.14 -0.25 -0.04 0.00 0.06 0.00 0.00 58.65 58.56 3e5h h GLN 149 Cb 0.16 -0.15 -0.01 0.00 0.30 0.00 0.00 27.48 27.78 3e5h h GLN 149 CO -0.01 0.95 -0.21 0.93 -0.67 0.00 0.00 178.83 179.81 3e5h h GLU 150 N 1.03 0.00 0.00 1.46 5.08 -0.86 -3.29 114.58 117.99 3e5h h GLU 150 Ca 0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.58 3e5h h GLU 150 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3e5h h GLU 150 CO -0.00 0.21 0.00 0.09 -1.00 0.00 0.00 179.01 178.31 3e5h n ASN 151 N -4.09 0.96 -1.06 1.42 3.02 -1.05 -5.01 115.26 109.46 3e5h n ASN 151 Ca -0.02 -1.10 -0.09 0.00 -0.03 0.00 0.00 54.58 53.34 3e5h n ASN 151 Cb 0.28 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 3e5h n ASN 151 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3e5h n GLY 152 N -0.05 0.05 3.82 7.41 0.00 0.67 -5.02 105.19 112.07 3e5h n GLY 152 Ca 0.00 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.19 3e5h n GLY 152 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3e5h s PHE 153 N -2.47 3.29 0.53 1.61 0.08 -0.67 -4.82 117.98 115.52 3e5h s PHE 153 Ca 0.00 1.59 -0.17 0.00 0.12 0.00 0.00 56.93 58.47 3e5h s PHE 153 Cb 0.00 -2.87 -0.07 0.00 -0.57 0.00 0.00 43.02 39.51 3e5h s PHE 153 CO 0.00 -0.24 1.00 -1.54 -0.10 0.00 0.00 175.22 174.34 3e5h s SER 154 N -2.27 6.44 -0.11 1.36 1.04 -0.73 -4.77 113.70 114.66 3e5h s SER 154 Ca 0.62 1.63 0.01 0.00 0.48 0.00 0.00 55.95 58.70 3e5h s SER 154 Cb -0.10 -2.52 -0.01 0.00 0.10 0.00 0.00 66.02 63.49 3e5h s SER 154 CO 0.16 -0.71 -0.16 -0.55 0.98 0.00 0.00 173.24 172.96 3e5h s SER 155 N -2.97 3.79 -0.01 7.02 0.15 -1.26 -0.53 113.70 119.89 3e5h s SER 155 Ca 0.60 -0.36 -0.02 0.00 0.70 0.00 0.00 55.95 56.87 3e5h s SER 155 Cb -0.11 -1.45 -0.00 0.00 -1.71 0.00 0.00 66.02 62.75 3e5h s SER 155 CO 0.32 0.19 0.04 -1.00 1.20 0.00 0.00 173.24 173.99 3e5h s HIS 156 N 0.20 0.02 -0.09 3.44 3.76 -0.32 -4.98 115.29 117.32 3e5h s HIS 156 Ca -0.10 -0.04 0.02 0.00 -0.15 0.00 0.00 55.06 54.79 3e5h s HIS 156 Cb -0.16 -0.03 0.02 0.00 1.11 0.00 0.00 32.58 33.52 3e5h s HIS 156 CO 0.06 -0.09 -0.13 -0.06 -0.85 0.00 0.00 174.74 173.67 3e5h s PHE 157 N -0.43 1.71 0.15 1.40 0.08 -1.26 -0.82 117.98 118.82 3e5h s PHE 157 Ca -0.05 -0.76 -0.03 0.00 0.12 0.00 0.00 56.93 56.21 3e5h s PHE 157 Cb -0.03 -1.27 -0.03 0.00 -0.57 0.00 0.00 43.02 41.12 3e5h s PHE 157 CO -0.00 -0.41 0.14 0.14 -0.10 0.00 0.00 175.22 174.99 3e5h s VAL 158 N 0.99 0.07 -0.17 -0.44 -7.23 -0.30 -4.75 120.40 108.58 3e5h s VAL 158 Ca -0.08 -1.77 -0.02 0.00 -1.81 0.00 0.00 61.98 58.30 3e5h s VAL 158 Cb -0.15 -2.07 0.05 0.00 0.56 0.00 0.00 36.38 34.77 3e5h s VAL 158 CO -0.01 -0.33 0.01 -0.55 -0.31 0.00 0.00 175.10 173.91 3e5h s SER 159 N -3.04 2.68 0.46 4.85 0.15 -0.53 -1.84 113.70 116.42 3e5h s SER 159 Ca 0.25 -0.67 0.13 0.00 0.70 0.00 0.00 55.95 56.36 3e5h s SER 159 Cb 0.06 -0.64 1.04 0.00 -1.71 0.00 0.00 66.02 64.77 3e5h s SER 159 CO 0.03 -0.26 2.05 0.00 1.20 0.00 0.00 173.24 176.26 3e5h h ALA 160 N 8.23 1.78 -0.08 5.45 0.00 -1.88 0.17 119.26 132.92 3e5h h ALA 160 Ca -0.18 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.61 3e5h h ALA 160 Cb 1.12 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3e5h h ALA 160 CO 0.34 0.17 -0.06 -0.22 0.00 0.00 0.00 179.25 179.48 3e5h h LYS 161 N 0.13 0.19 0.00 0.00 3.64 -1.94 -3.28 116.57 115.30 3e5h h LYS 161 Ca 0.03 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 3e5h h LYS 161 Cb 0.15 -0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.97 3e5h h LYS 161 CO 0.01 0.58 -0.99 0.25 -2.27 0.00 0.00 179.45 177.03 3e5h n THR 162 N -4.72 0.34 -0.24 1.00 -2.24 -1.20 -4.95 114.28 102.27 3e5h n THR 162 Ca -0.07 -0.36 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 3e5h n THR 162 Cb 0.29 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.46 3e5h n THR 162 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3e5h n GLY 163 N 1.30 1.34 3.48 3.38 0.00 0.57 -5.00 105.19 110.25 3e5h n GLY 163 Ca 0.01 0.00 -0.54 0.00 0.00 0.00 0.00 46.02 45.49 3e5h n GLY 163 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3e5h n ASP 164 N 0.00 1.94 -0.02 1.61 -0.08 -1.08 -1.94 116.55 116.98 3e5h n ASP 164 Ca 0.00 0.65 -0.00 0.00 -1.51 0.00 0.00 54.79 53.93 3e5h n ASP 164 Cb 0.00 -1.16 -0.00 0.00 2.34 0.00 0.00 41.12 42.30 3e5h n ASP 164 CO 0.00 0.00 0.00 -1.20 0.12 0.00 0.00 177.20 176.12 3e5h n SER 165 N 8.16 -5.02 0.05 1.67 7.64 -1.26 -1.46 113.62 123.41 3e5h n SER 165 Ca 0.40 0.01 -0.13 0.00 1.01 0.00 0.00 58.87 60.16 3e5h n SER 165 Cb 0.15 -2.54 -0.09 0.00 -1.01 0.00 0.00 64.21 60.72 3e5h n SER 165 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3e5h h VAL 166 N 0.00 1.09 -0.64 0.44 2.07 -1.68 -0.88 116.25 116.64 3e5h h VAL 166 Ca -0.00 -0.94 0.03 0.00 0.82 0.00 0.00 66.70 66.60 3e5h h VAL 166 Cb 0.68 1.67 -0.04 0.00 -1.52 0.00 0.00 31.29 32.07 3e5h h VAL 166 CO 0.01 0.22 0.40 0.15 0.02 0.00 0.00 177.57 178.37 3e5h h PHE 167 N -0.61 0.75 -0.72 1.57 3.57 -1.90 -2.25 116.94 117.35 3e5h h PHE 167 Ca -0.02 0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.51 3e5h h PHE 167 Cb 0.48 -0.24 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3e5h h PHE 167 CO 0.07 0.43 0.47 -0.07 -2.23 0.00 0.00 178.31 176.98 3e5h h LEU 168 N 0.79 0.83 0.35 0.59 3.38 -1.91 0.26 115.31 119.59 3e5h h LEU 168 Ca 0.26 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.18 3e5h h LEU 168 Cb 0.02 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.56 3e5h h LEU 168 CO -0.10 0.61 -0.17 0.00 0.09 0.00 0.00 178.44 178.87 3e5h h PHE 170 N -0.55 1.03 -0.48 0.00 0.04 -1.10 -1.00 116.94 114.88 3e5h h PHE 170 Ca -0.05 -0.11 -0.00 0.00 2.80 0.00 0.00 57.97 60.61 3e5h h PHE 170 Cb 0.41 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.25 3e5h h PHE 170 CO -0.03 0.85 0.29 0.37 -0.60 0.00 0.00 178.31 179.19 3e5h h GLN 171 N 0.94 0.64 -0.53 1.51 4.15 -0.88 -0.95 115.11 119.99 3e5h h GLN 171 Ca 0.20 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.51 3e5h h GLN 171 Cb 0.34 -0.14 -0.02 0.00 0.21 0.00 0.00 27.48 27.87 3e5h h GLN 171 CO 0.00 0.46 0.12 -0.22 -1.93 0.00 0.00 178.83 177.27 3e5h h LYS 172 N 0.64 0.86 -0.40 1.69 1.63 -0.64 -0.09 116.57 120.26 3e5h h LYS 172 Ca 0.17 -0.21 -0.00 0.00 -0.85 0.00 0.00 60.65 59.76 3e5h h LYS 172 Cb -0.02 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 31.48 3e5h h LYS 172 CO -0.03 0.82 0.23 0.28 -3.45 0.00 0.00 179.45 177.30 3e5h h VAL 173 N 0.75 1.14 -0.42 2.00 2.07 -1.00 0.50 116.25 121.30 3e5h h VAL 173 Ca 0.17 -0.34 -0.00 0.00 0.82 0.00 0.00 66.70 67.34 3e5h h VAL 173 Cb 0.35 0.64 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 3e5h h VAL 173 CO 0.00 0.14 0.26 0.00 0.02 0.00 0.00 177.57 177.99 3e5h h ALA 174 N 1.09 0.53 -0.60 1.67 0.00 -0.98 -1.44 119.26 119.54 3e5h h ALA 174 Ca 0.14 -0.05 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3e5h h ALA 174 Cb 0.03 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 3e5h h ALA 174 CO -0.02 0.02 0.13 0.00 0.00 0.00 0.00 179.25 179.38 3e5h h ALA 175 N 1.12 1.11 -0.49 0.00 0.00 -0.73 -2.00 119.26 118.27 3e5h h ALA 175 Ca 0.15 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.72 3e5h h ALA 175 Cb -0.01 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3e5h h ALA 175 CO -0.03 0.59 -0.13 0.93 0.00 0.00 0.00 179.25 180.62 3e5h h GLU 176 N 0.89 0.94 -0.42 0.00 4.39 -0.62 0.20 114.58 119.97 3e5h h GLU 176 Ca 0.19 -0.36 0.02 0.00 0.34 0.00 0.00 59.36 59.54 3e5h h GLU 176 Cb 0.34 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 28.91 3e5h h GLU 176 CO 0.00 1.03 0.25 0.82 -1.16 0.00 0.00 179.01 179.95 3e5h h ILE 177 N 0.79 1.04 0.00 3.13 2.04 -0.99 -2.77 117.51 120.75 3e5h h ILE 177 Ca 0.12 -0.17 -0.07 0.00 1.00 0.00 0.00 64.86 65.74 3e5h h ILE 177 Cb 0.68 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.25 3e5h h ILE 177 CO 0.05 0.09 -0.35 -0.07 0.00 0.00 0.00 178.15 177.87 3e5h h LEU 178 N 0.50 0.00 -0.06 1.44 3.38 -1.22 -3.48 115.31 115.86 3e5h h LEU 178 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3e5h h LEU 178 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3e5h h LEU 178 CO -0.08 0.35 0.00 0.61 0.09 0.00 0.00 178.44 179.42 3e5h n GLY 179 N 0.99 0.88 3.85 0.83 0.00 0.57 -5.08 105.19 107.23 3e5h n GLY 179 Ca 0.02 -0.60 -0.37 0.00 0.00 0.00 0.00 46.02 45.07 3e5h n GLY 179 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3e5h s ILE 180 N -2.06 5.48 0.13 -0.61 1.01 -0.32 -5.02 121.20 119.81 3e5h s ILE 180 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 60.65 60.55 3e5h s ILE 180 Cb 0.00 -3.41 -0.07 0.00 0.01 0.00 0.00 42.46 39.00 3e5h s ILE 180 CO 0.00 0.58 1.08 -0.54 0.00 0.00 0.00 174.94 176.06 3e5h s LYS 181 N -0.74 4.59 0.07 2.79 1.02 -1.26 -4.61 119.74 121.60 3e5h s LYS 181 Ca 0.14 1.65 0.21 0.00 0.02 0.00 0.00 55.97 57.98 3e5h s LYS 181 Cb -0.12 -3.32 -0.15 0.00 -0.52 0.00 0.00 37.83 33.72 3e5h s LYS 181 CO 0.03 0.05 0.75 1.28 -0.92 0.00 0.00 175.35 176.54 3e5h n LEU 182 N 2.79 0.53 0.00 3.17 4.77 -1.26 -4.84 117.00 122.16 3e5h n LEU 182 Ca 0.04 0.21 0.00 0.00 -0.03 0.00 0.00 56.01 56.23 3e5h n LEU 182 Cb 0.47 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.59 3e5h n LEU 182 CO 0.53 -0.01 0.00 0.59 -1.33 0.00 0.00 177.39 177.17