#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6e s ARG 2 N 0.00 2.91 0.33 1.61 0.52 0.43 -5.05 118.95 119.70 3g6e s ARG 2 Ca 0.00 -0.79 -0.29 0.00 -0.52 0.00 0.00 55.73 54.13 3g6e s ARG 2 Cb 0.00 -2.69 -0.11 0.00 0.52 0.00 0.00 34.95 32.68 3g6e s ARG 2 CO 0.00 0.52 1.50 1.03 0.02 0.00 0.00 175.30 178.37 3g6e s ARG 3 N -2.83 4.15 0.92 3.54 1.81 -1.26 -4.66 118.95 120.62 3g6e s ARG 3 Ca 0.30 2.51 -0.12 0.00 -1.72 0.00 0.00 55.73 56.71 3g6e s ARG 3 Cb -0.11 -3.01 0.14 0.00 -0.45 0.00 0.00 34.95 31.52 3g6e s ARG 3 CO 0.23 -0.53 1.13 0.96 -0.68 0.00 0.00 175.30 176.41 3g6e s ILE 4 N -0.60 2.05 0.35 1.52 -4.36 -1.26 -4.87 121.20 114.02 3g6e s ILE 4 Ca 0.57 0.02 0.05 0.00 -0.26 0.00 0.00 60.65 61.03 3g6e s ILE 4 Cb -0.46 -2.73 0.30 0.00 1.25 0.00 0.00 42.46 40.81 3g6e s ILE 4 CO 0.55 -0.02 1.93 -0.61 0.24 0.00 0.00 174.94 177.02 3g6e h GLN 5 N -1.53 0.78 0.00 0.37 4.15 -1.95 -1.90 115.11 115.04 3g6e h GLN 5 Ca -0.51 -0.05 0.00 0.00 0.77 0.00 0.00 58.65 58.86 3g6e h GLN 5 Cb 1.33 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.84 3g6e h GLN 5 CO 0.61 0.52 0.00 0.78 -1.93 0.00 0.00 178.83 178.81 3g6e h GLY 6 N 0.81 0.00 1.27 2.39 0.00 -1.99 -2.35 103.07 103.20 3g6e h GLY 6 Ca 0.36 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.40 3g6e h GLY 6 CO -0.13 0.00 -1.51 1.46 0.00 0.00 0.00 176.54 176.36 3g6e h GLN 7 N 0.00 0.11 0.00 4.80 4.20 -1.71 -3.29 115.11 119.22 3g6e h GLN 7 Ca 0.00 -0.18 -0.09 0.00 0.06 0.00 0.00 58.65 58.44 3g6e h GLN 7 Cb 0.34 0.07 -0.01 0.00 0.30 0.00 0.00 27.48 28.18 3g6e h GLN 7 CO 0.00 0.87 -0.43 0.00 -0.67 0.00 0.00 178.83 178.60 3g6e h ARG 8 N 0.03 0.00 0.16 1.46 -0.00 -1.26 -3.26 114.38 111.51 3g6e h ARG 8 Ca -0.22 0.00 0.01 0.00 -0.50 0.00 0.00 59.98 59.28 3g6e h ARG 8 Cb 1.96 0.00 -0.03 0.00 0.00 0.00 0.00 29.97 31.90 3g6e h ARG 8 CO 0.12 0.43 -0.30 0.00 0.00 0.00 0.00 179.97 180.22 3g6e h ARG 9 N 0.00 -0.53 -0.01 0.04 3.08 -1.52 -3.03 114.38 112.41 3g6e h ARG 9 Ca -0.00 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.09 3g6e h ARG 9 Cb 0.87 0.12 -0.00 0.00 0.08 0.00 0.00 29.97 31.04 3g6e h ARG 9 CO 0.06 -0.35 0.08 0.78 -1.07 0.00 0.00 179.97 179.46 3g6e h GLY 10 N -0.55 0.00 2.00 0.04 0.00 -1.68 -1.93 103.07 100.95 3g6e h GLY 10 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.35 3g6e h GLY 10 CO -0.15 0.00 0.00 3.21 0.00 0.00 0.00 176.54 179.60 3g6e h ARG 11 N 0.00 0.00 -3.43 4.80 3.08 -1.68 -3.46 114.38 113.68 3g6e h ARG 11 Ca 0.01 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.75 3g6e h ARG 11 Cb 0.16 0.00 0.04 0.00 0.08 0.00 0.00 29.97 30.25 3g6e h ARG 11 CO -0.00 0.00 -0.46 0.41 -1.07 0.00 0.00 179.97 178.85 3g6e n GLY 12 N -0.47 -0.22 3.77 0.04 0.00 -0.73 -5.02 105.19 102.56 3g6e n GLY 12 Ca 0.00 -0.10 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 3g6e n GLY 12 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3g6e s THR 13 N -3.01 2.42 0.23 2.61 -4.23 -1.26 -4.71 115.64 107.68 3g6e s THR 13 Ca 0.22 0.14 -0.13 0.00 -1.18 0.00 0.00 61.69 60.73 3g6e s THR 13 Cb -0.10 -2.83 0.28 0.00 1.34 0.00 0.00 72.50 71.19 3g6e s THR 13 CO 0.27 -0.18 1.60 -1.28 -0.54 0.00 0.00 174.62 174.49 3g6e h SER 14 N -1.42 -0.82 -0.43 3.99 0.87 -1.95 -0.73 113.55 113.07 3g6e h SER 14 Ca -0.50 0.23 0.12 0.00 -1.23 0.00 0.00 61.79 60.42 3g6e h SER 14 Cb 1.31 0.50 -0.02 0.00 -0.44 0.00 0.00 62.40 63.75 3g6e h SER 14 CO 0.60 -0.26 0.31 0.74 -0.53 0.00 0.00 176.83 177.69 3g6e h THR 15 N -0.03 0.78 0.00 2.23 2.02 -2.00 -2.17 112.91 113.73 3g6e h THR 15 Ca 0.34 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.52 3g6e h THR 15 Cb 0.56 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.75 3g6e h THR 15 CO -0.77 0.00 -1.42 0.49 0.37 0.00 0.00 175.52 174.18 3g6e n PHE 16 N -4.39 0.00 -2.43 3.16 3.01 -0.38 -4.26 117.46 112.17 3g6e n PHE 16 Ca 0.07 0.00 -0.33 0.00 1.01 0.00 0.00 57.45 58.21 3g6e n PHE 16 Cb 0.51 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.72 3g6e n PHE 16 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 3g6e s ARG 17 N -3.16 3.84 0.31 -1.08 0.52 -0.63 -4.27 118.95 114.47 3g6e s ARG 17 Ca 0.00 1.12 -0.22 0.00 -0.52 0.00 0.00 55.73 56.11 3g6e s ARG 17 Cb 0.14 -2.11 -0.09 0.00 0.52 0.00 0.00 34.95 33.40 3g6e s ARG 17 CO 0.85 -0.37 0.85 0.00 0.02 0.00 0.00 175.30 176.65 3g6e s ALA 18 N -2.38 3.26 -1.36 2.13 0.00 -1.26 -4.56 121.76 117.58 3g6e s ALA 18 Ca 0.62 0.33 -0.11 0.00 0.00 0.00 0.00 51.96 52.81 3g6e s ALA 18 Cb -0.12 -3.02 -0.06 0.00 0.00 0.00 0.00 23.12 19.92 3g6e s ALA 18 CO 0.27 0.23 2.53 -0.35 0.00 0.00 0.00 175.76 178.45 3g6e n PRO 19 N 0.30 2.98 -0.35 0.00 -0.04 -1.26 -4.71 135.00 131.92 3g6e n PRO 19 Ca 0.02 -2.09 0.29 0.00 -0.04 0.00 0.00 63.50 61.67 3g6e n PRO 19 Cb 0.51 -2.84 0.60 0.00 -0.04 0.00 0.00 33.50 31.74 3g6e n PRO 19 CO 0.00 0.00 0.00 0.77 -0.04 0.00 0.00 175.50 176.23 3g6e h SER 20 N 5.75 0.29 0.65 3.54 0.02 -1.96 0.15 113.55 121.99 3g6e h SER 20 Ca 0.69 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 61.71 3g6e h SER 20 Cb 0.36 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3g6e h SER 20 CO 1.75 0.02 0.00 0.00 -1.14 0.00 0.00 176.83 177.46 3g6e n HIS 21 N -4.51 0.78 0.20 3.45 1.44 -1.26 -1.66 115.22 113.65 3g6e n HIS 21 Ca 0.28 0.31 0.10 0.00 -2.01 0.00 0.00 57.72 56.40 3g6e n HIS 21 Cb 1.08 -1.01 0.19 0.00 0.12 0.00 0.00 29.99 30.37 3g6e n HIS 21 CO 0.00 0.00 0.00 0.54 -2.81 0.00 0.00 176.34 174.07 3g6e n ARG 22 N -2.22 2.32 -3.47 -1.40 1.74 0.54 -4.98 116.66 109.19 3g6e n ARG 22 Ca 0.02 -2.13 -0.34 0.00 -0.77 0.00 0.00 57.85 54.62 3g6e n ARG 22 Cb 0.21 -1.44 -0.05 0.00 -1.02 0.00 0.00 32.46 30.16 3g6e n ARG 22 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 3g6e s TYR 23 N -1.29 3.56 -0.00 -1.55 4.12 -0.67 -4.84 117.35 116.68 3g6e s TYR 23 Ca 0.33 0.89 -0.00 0.00 0.02 0.00 0.00 57.07 58.32 3g6e s TYR 23 Cb 0.19 -2.25 -0.00 0.00 -1.52 0.00 0.00 41.96 38.39 3g6e s TYR 23 CO 0.27 0.45 0.02 0.87 0.02 0.00 0.00 175.55 177.17 3g6e h LYS 24 N 3.45 -0.00 -3.39 -0.62 1.57 -1.94 -3.50 116.57 112.14 3g6e h LYS 24 Ca -0.48 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.18 3g6e h LYS 24 Cb 1.19 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.31 3g6e h LYS 24 CO 0.67 -0.00 -0.37 0.00 -0.57 0.00 0.00 179.45 179.18 3g6e s ALA 25 N -2.98 -0.49 -0.98 3.86 0.00 -1.26 -5.08 121.76 114.83 3g6e s ALA 25 Ca -0.00 -0.07 -0.18 0.00 0.00 0.00 0.00 51.96 51.71 3g6e s ALA 25 Cb 0.00 0.20 0.14 0.00 0.00 0.00 0.00 23.12 23.46 3g6e s ALA 25 CO 0.00 -0.31 1.18 0.34 0.00 0.00 0.00 175.76 176.97 3g6e s ASP 26 N -1.75 6.71 -0.96 0.00 3.68 -1.26 -4.96 116.67 118.13 3g6e s ASP 26 Ca -0.09 -2.23 -0.26 0.00 2.13 0.00 0.00 52.55 52.11 3g6e s ASP 26 Cb -0.03 -2.40 -0.20 0.00 -1.45 0.00 0.00 42.92 38.84 3g6e s ASP 26 CO -0.01 -1.00 2.19 0.18 0.13 0.00 0.00 175.17 176.66 3g6e n LEU 27 N 6.36 1.34 -4.69 -1.34 4.77 -1.26 -4.93 117.00 117.25 3g6e n LEU 27 Ca 0.26 -2.11 -0.23 0.00 -0.03 0.00 0.00 56.01 53.91 3g6e n LEU 27 Cb 0.48 -1.67 -0.07 0.00 -2.33 0.00 0.00 43.42 39.84 3g6e n LEU 27 CO 0.52 -3.27 -0.27 -1.61 -1.33 0.00 0.00 177.39 171.44 3g6e s GLU 28 N 8.57 2.38 0.44 3.23 2.02 -1.26 -4.83 118.70 129.25 3g6e s GLU 28 Ca 0.84 -1.43 -0.21 0.00 0.02 0.00 0.00 54.97 54.19 3g6e s GLU 28 Cb -0.09 -2.20 -0.10 0.00 0.10 0.00 0.00 34.13 31.84 3g6e s GLU 28 CO 0.15 0.28 0.98 -1.01 0.02 0.00 0.00 175.26 175.69 3g6e s HIS 29 N -2.34 3.23 0.55 1.61 3.76 -1.06 -4.93 115.29 116.11 3g6e s HIS 29 Ca 0.34 1.61 -0.19 0.00 -0.15 0.00 0.00 55.06 56.66 3g6e s HIS 29 Cb -0.05 -2.92 -0.05 0.00 1.11 0.00 0.00 32.58 30.67 3g6e s HIS 29 CO 0.21 -0.32 1.12 1.03 -0.85 0.00 0.00 174.74 175.94 3g6e s ARG 30 N -3.15 3.32 -0.61 1.40 0.52 -1.26 -4.82 118.95 114.35 3g6e s ARG 30 Ca 0.63 1.57 -0.19 0.00 -0.52 0.00 0.00 55.73 57.22 3g6e s ARG 30 Cb -0.12 -2.01 0.11 0.00 0.52 0.00 0.00 34.95 33.45 3g6e s ARG 30 CO 0.15 -0.86 0.73 0.15 0.02 0.00 0.00 175.30 175.49 3g6e s LYS 31 N -3.37 3.07 -0.00 3.54 1.02 -1.26 -5.04 119.74 117.69 3g6e s LYS 31 Ca 0.72 -1.34 0.01 0.00 0.02 0.00 0.00 55.97 55.38 3g6e s LYS 31 Cb -0.23 -4.28 -0.04 0.00 -0.52 0.00 0.00 37.83 32.76 3g6e s LYS 31 CO 0.28 -1.56 0.04 0.08 -0.92 0.00 0.00 175.35 173.28 3g6e s VAL 32 N 2.69 4.44 -0.05 3.17 1.01 -1.26 -5.07 120.40 125.34 3g6e s VAL 32 Ca 0.12 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.57 3g6e s VAL 32 Cb -0.23 -3.01 -0.01 0.00 0.00 0.00 0.00 36.38 33.12 3g6e s VAL 32 CO 0.06 0.36 0.14 -0.33 0.00 0.00 0.00 175.10 175.32 3g6e h GLU 33 N 4.20 -0.08 0.00 2.72 3.07 -2.00 -3.49 114.58 118.99 3g6e h GLU 33 Ca -0.49 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.38 3g6e h GLU 33 Cb 1.18 0.02 0.00 0.00 -0.84 0.00 0.00 28.75 29.11 3g6e h GLU 33 CO 0.60 -0.06 0.00 -3.47 -1.40 0.00 0.00 179.01 174.68 3g6e n ASP 34 N -3.78 0.00 0.00 1.42 -0.08 -1.26 -5.07 116.55 107.78 3g6e n ASP 34 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 3g6e n ASP 34 Cb 0.03 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.49 3g6e n ASP 34 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 3g6e n GLY 35 N 0.00 0.71 4.22 0.27 0.00 -1.26 -4.96 105.19 104.17 3g6e n GLY 35 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3g6e n GLY 35 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3g6e n ASP 36 N 0.00 0.00 -1.35 1.61 2.03 -1.26 -4.86 116.55 112.72 3g6e n ASP 36 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 3g6e n ASP 36 Cb 0.00 -0.68 0.00 0.00 -0.72 0.00 0.00 41.12 39.72 3g6e n ASP 36 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 3g6e n VAL 37 N -1.85 0.34 -4.07 5.18 0.24 -1.26 -4.53 118.33 112.37 3g6e n VAL 37 Ca 0.00 -0.05 -0.32 0.00 -2.04 0.00 0.00 64.34 61.93 3g6e n VAL 37 Cb 0.00 -0.82 -0.15 0.00 -1.47 0.00 0.00 33.84 31.40 3g6e n VAL 37 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 3g6e s ILE 38 N 1.05 2.09 0.12 1.34 -1.09 -1.26 -4.99 121.20 118.46 3g6e s ILE 38 Ca 0.00 -1.44 -0.03 0.00 -2.23 0.00 0.00 60.65 56.95 3g6e s ILE 38 Cb 0.00 -2.14 -0.03 0.00 -1.58 0.00 0.00 42.46 38.71 3g6e s ILE 38 CO 0.00 0.09 0.09 0.00 -1.23 0.00 0.00 174.94 173.90 3g6e s ALA 39 N 1.17 0.54 0.17 9.38 0.00 -1.26 -2.27 121.76 129.49 3g6e s ALA 39 Ca -0.06 -1.24 -0.20 0.00 0.00 0.00 0.00 51.96 50.47 3g6e s ALA 39 Cb -0.18 0.71 0.05 0.00 0.00 0.00 0.00 23.12 23.70 3g6e s ALA 39 CO -0.07 -0.50 0.56 0.20 0.00 0.00 0.00 175.76 175.96 3g6e s GLY 40 N -2.99 -0.39 -0.10 0.00 0.00 -0.40 -1.46 107.32 101.98 3g6e s GLY 40 Ca 0.18 0.15 -0.04 0.00 0.00 0.00 0.00 44.72 45.01 3g6e s GLY 40 CO -0.02 -0.04 0.06 -1.59 0.00 0.00 0.00 173.10 171.51 3g6e s THR 41 N -3.80 4.81 -0.26 0.90 2.01 -0.62 -1.27 115.64 117.41 3g6e s THR 41 Ca 0.04 -0.05 -0.29 0.00 0.31 0.00 0.00 61.69 61.70 3g6e s THR 41 Cb -0.01 -3.06 0.01 0.00 0.01 0.00 0.00 72.50 69.45 3g6e s THR 41 CO -0.08 0.60 1.07 -0.69 -0.69 0.00 0.00 174.62 174.83 3g6e s VAL 42 N -0.88 4.60 -0.15 3.82 1.01 -0.88 -1.25 120.40 126.67 3g6e s VAL 42 Ca 0.13 1.91 -0.15 0.00 0.00 0.00 0.00 61.98 63.87 3g6e s VAL 42 Cb -0.12 -4.33 -0.24 0.00 0.00 0.00 0.00 36.38 31.70 3g6e s VAL 42 CO 0.03 -0.28 0.34 0.58 0.00 0.00 0.00 175.10 175.78 3g6e h VAL 43 N 5.55 0.83 -3.84 2.92 2.07 -0.82 -1.88 116.25 121.07 3g6e h VAL 43 Ca -0.20 -2.29 -0.10 0.00 0.82 0.00 0.00 66.70 64.94 3g6e h VAL 43 Cb 1.06 2.43 -0.13 0.00 -1.52 0.00 0.00 31.29 33.14 3g6e h VAL 43 CO 1.00 0.62 -0.31 -0.62 0.02 0.00 0.00 177.57 178.28 3g6e s ASP 44 N -6.96 0.03 -0.24 0.57 -1.08 -1.13 -4.88 116.67 102.98 3g6e s ASP 44 Ca -0.24 -0.81 0.02 0.00 -0.52 0.00 0.00 52.55 51.00 3g6e s ASP 44 Cb 0.06 0.43 0.05 0.00 -1.46 0.00 0.00 42.92 42.00 3g6e s ASP 44 CO 0.70 -0.87 -0.13 -0.63 0.52 0.00 0.00 175.17 174.76 3g6e s ILE 45 N -3.94 2.08 0.32 4.11 -1.09 -1.26 -0.27 121.20 121.14 3g6e s ILE 45 Ca 0.15 -1.44 0.08 0.00 -2.23 0.00 0.00 60.65 57.21 3g6e s ILE 45 Cb 0.03 -2.14 -0.04 0.00 -1.58 0.00 0.00 42.46 38.74 3g6e s ILE 45 CO -0.02 0.10 0.12 -1.61 -1.23 0.00 0.00 174.94 172.30 3g6e s GLU 46 N 1.17 2.40 -0.10 2.79 2.02 0.31 -4.94 118.70 122.35 3g6e s GLU 46 Ca -0.06 -1.48 -0.17 0.00 0.02 0.00 0.00 54.97 53.29 3g6e s GLU 46 Cb -0.18 -2.21 -0.05 0.00 0.10 0.00 0.00 34.13 31.80 3g6e s GLU 46 CO -0.07 0.18 0.43 -1.58 0.02 0.00 0.00 175.26 174.24 3g6e s HIS 47 N -2.38 3.55 -0.35 1.61 5.65 -1.26 0.01 115.29 122.11 3g6e s HIS 47 Ca 0.36 0.85 -0.14 0.00 0.25 0.00 0.00 55.06 56.38 3g6e s HIS 47 Cb -0.04 -2.46 -0.01 0.00 -1.18 0.00 0.00 32.58 28.89 3g6e s HIS 47 CO 0.22 0.28 0.30 0.34 -0.65 0.00 0.00 174.74 175.23 3g6e s ASP 48 N 0.25 6.12 0.48 9.88 2.15 -0.82 -4.88 116.67 129.85 3g6e s ASP 48 Ca 0.24 -0.37 0.32 0.00 0.43 0.00 0.00 52.55 53.17 3g6e s ASP 48 Cb -0.15 -2.17 1.51 0.00 -0.30 0.00 0.00 42.92 41.81 3g6e s ASP 48 CO 0.10 -0.30 1.97 -0.65 -0.17 0.00 0.00 175.17 176.12 3g6e h PRO 49 N 8.49 0.00 0.00 4.34 0.11 -1.88 -1.41 132.00 141.65 3g6e h PRO 49 Ca -0.30 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.57 3g6e h PRO 49 Cb 1.15 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.22 3g6e h PRO 49 CO 0.67 0.00 -1.26 0.00 -0.21 0.00 0.00 178.00 177.19 3g6e h ALA 50 N 2.06 0.52 0.00 -0.75 0.00 -1.92 -3.40 119.26 115.78 3g6e h ALA 50 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 54.91 53.80 3g6e h ALA 50 Cb 0.30 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 3g6e h ALA 50 CO 0.00 1.37 0.00 0.54 0.00 0.00 0.00 179.25 181.16 3g6e n ARG 51 N -3.23 -0.32 -3.18 0.00 1.74 -1.15 -5.01 116.66 105.52 3g6e n ARG 51 Ca -0.06 -0.54 -0.22 0.00 -0.77 0.00 0.00 57.85 56.25 3g6e n ARG 51 Cb 0.98 -0.90 0.01 0.00 -1.02 0.00 0.00 32.46 31.53 3g6e n ARG 51 CO 0.00 0.00 0.00 0.43 -1.52 0.00 0.00 177.63 176.54 3g6e n SER 52 N -0.06 -4.75 -4.12 0.55 7.64 -0.54 -4.73 113.62 107.61 3g6e n SER 52 Ca 0.00 -0.32 -0.08 0.00 1.01 0.00 0.00 58.87 59.47 3g6e n SER 52 Cb 0.09 -3.89 -0.10 0.00 -1.01 0.00 0.00 64.21 59.30 3g6e n SER 52 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g6e s ALA 53 N -3.03 0.67 0.55 -0.43 0.00 -1.25 -4.99 121.76 113.28 3g6e s ALA 53 Ca 0.34 -1.32 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 3g6e s ALA 53 Cb -0.17 0.52 -0.06 0.00 0.00 0.00 0.00 23.12 23.41 3g6e s ALA 53 CO 0.42 -0.42 1.01 -1.25 0.00 0.00 0.00 175.76 175.53 3g6e s PRO 54 N -3.97 3.73 -0.05 0.00 0.04 -1.26 -1.94 135.00 131.54 3g6e s PRO 54 Ca 0.14 1.02 0.01 0.00 0.04 0.00 0.00 61.00 62.22 3g6e s PRO 54 Cb 0.08 -2.10 0.02 0.00 0.04 0.00 0.00 34.50 32.54 3g6e s PRO 54 CO -0.05 -0.46 -0.07 0.54 0.04 0.00 0.00 177.00 177.00 3g6e s VAL 55 N -2.60 0.69 -0.11 -0.36 0.11 0.10 -4.03 120.40 114.20 3g6e s VAL 55 Ca 0.60 -0.22 -0.21 0.00 -2.93 0.00 0.00 61.98 59.23 3g6e s VAL 55 Cb -0.12 -0.68 -0.04 0.00 -1.53 0.00 0.00 36.38 34.01 3g6e s VAL 55 CO 0.34 0.26 0.60 0.00 -3.33 0.00 0.00 175.10 172.97 3g6e s ALA 56 N 0.82 3.42 -0.36 1.54 0.00 -0.68 -0.53 121.76 125.97 3g6e s ALA 56 Ca -0.12 -0.05 -0.22 0.00 0.00 0.00 0.00 51.96 51.56 3g6e s ALA 56 Cb -0.15 -2.83 0.01 0.00 0.00 0.00 0.00 23.12 20.15 3g6e s ALA 56 CO 0.01 -0.12 0.73 0.00 0.00 0.00 0.00 175.76 176.38 3g6e s ALA 57 N 0.88 3.44 -0.04 0.00 0.00 0.62 -0.33 121.76 126.33 3g6e s ALA 57 Ca 0.32 -0.74 0.05 0.00 0.00 0.00 0.00 51.96 51.59 3g6e s ALA 57 Cb -0.16 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.64 3g6e s ALA 57 CO 0.14 -1.44 -0.19 0.08 0.00 0.00 0.00 175.76 174.35 3g6e s VAL 58 N 2.95 2.61 -0.21 0.00 1.01 -0.67 -0.05 120.40 126.04 3g6e s VAL 58 Ca 0.29 -0.89 -0.03 0.00 0.00 0.00 0.00 61.98 61.34 3g6e s VAL 58 Cb -0.14 -1.98 -0.00 0.00 0.00 0.00 0.00 36.38 34.26 3g6e s VAL 58 CO 0.16 0.58 -0.07 -0.70 0.00 0.00 0.00 175.10 175.08 3g6e s GLU 59 N -0.62 3.33 0.58 2.72 2.12 -0.38 -2.03 118.70 124.41 3g6e s GLU 59 Ca 0.09 -0.65 -0.06 0.00 0.36 0.00 0.00 54.97 54.72 3g6e s GLU 59 Cb -0.11 -2.94 0.01 0.00 0.26 0.00 0.00 34.13 31.35 3g6e s GLU 59 CO 0.00 -0.19 0.88 -0.06 -0.54 0.00 0.00 175.26 175.36 3g6e s PHE 60 N 1.43 3.27 0.46 5.30 0.40 -0.86 -1.59 117.98 126.39 3g6e s PHE 60 Ca 0.05 0.63 0.20 0.00 -0.60 0.00 0.00 56.93 57.22 3g6e s PHE 60 Cb -0.14 -2.70 1.19 0.00 0.51 0.00 0.00 43.02 41.88 3g6e s PHE 60 CO -0.04 -0.78 1.91 0.93 0.70 0.00 0.00 175.22 177.94 3g6e h GLU 61 N -0.13 0.26 -0.04 0.44 5.08 -1.61 -1.02 114.58 117.57 3g6e h GLU 61 Ca -0.45 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3g6e h GLU 61 Cb 1.25 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 30.44 3g6e h GLU 61 CO 0.60 0.17 0.00 -0.40 -1.00 0.00 0.00 179.01 178.39 3g6e n ASP 62 N -4.44 1.23 0.00 1.42 5.75 -1.26 -4.94 116.55 114.31 3g6e n ASP 62 Ca 0.15 -1.45 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 3g6e n ASP 62 Cb 0.66 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.73 3g6e n ASP 62 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3g6e n GLY 63 N 1.13 1.02 3.55 6.12 0.00 -0.39 -5.08 105.19 111.54 3g6e n GLY 63 Ca 0.19 -0.43 -0.40 0.00 0.00 0.00 0.00 46.02 45.38 3g6e n GLY 63 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 64 N -2.43 6.09 -0.58 1.61 1.01 -1.25 -4.89 116.67 116.22 3g6e s ASP 64 Ca 0.00 -0.23 -0.20 0.00 0.71 0.00 0.00 52.55 52.83 3g6e s ASP 64 Cb 0.00 -2.15 0.08 0.00 1.01 0.00 0.00 42.92 41.86 3g6e s ASP 64 CO 0.00 -0.21 0.76 -0.60 0.21 0.00 0.00 175.17 175.33 3g6e s ARG 65 N 1.82 3.09 0.04 8.23 6.06 -1.26 -2.02 118.95 134.91 3g6e s ARG 65 Ca 0.08 -1.04 0.06 0.00 -2.50 0.00 0.00 55.73 52.33 3g6e s ARG 65 Cb -0.17 -4.20 -0.02 0.00 0.06 0.00 0.00 34.95 30.62 3g6e s ARG 65 CO 0.11 -1.52 -0.17 1.03 -2.50 0.00 0.00 175.30 172.25 3g6e s ARG 66 N 3.06 1.11 -0.13 5.12 0.52 -0.86 -5.01 118.95 122.74 3g6e s ARG 66 Ca 0.16 -0.82 -0.21 0.00 -0.52 0.00 0.00 55.73 54.34 3g6e s ARG 66 Cb -0.21 -1.16 -0.03 0.00 0.52 0.00 0.00 34.95 34.07 3g6e s ARG 66 CO 0.09 0.29 0.61 -0.51 0.02 0.00 0.00 175.30 175.80 3g6e s LEU 67 N -1.15 4.24 0.16 2.53 1.43 -1.26 -1.67 118.68 122.96 3g6e s LEU 67 Ca 0.04 0.94 0.09 0.00 -1.03 0.00 0.00 54.13 54.17 3g6e s LEU 67 Cb -0.08 -2.89 -0.04 0.00 0.03 0.00 0.00 46.19 43.21 3g6e s LEU 67 CO 0.01 -0.14 -0.13 -0.51 0.23 0.00 0.00 176.35 175.81 3g6e s ILE 68 N 1.18 3.04 -0.43 -0.59 2.07 0.55 -4.70 121.20 122.32 3g6e s ILE 68 Ca 0.31 -1.64 -0.28 0.00 -1.41 0.00 0.00 60.65 57.62 3g6e s ILE 68 Cb -0.16 -2.48 -0.01 0.00 0.13 0.00 0.00 42.46 39.94 3g6e s ILE 68 CO 0.13 -0.05 1.70 -0.22 -1.91 0.00 0.00 174.94 174.58 3g6e s LEU 69 N -2.63 3.47 -0.04 8.50 2.96 -1.26 -1.69 118.68 127.98 3g6e s LEU 69 Ca 0.23 0.91 -0.30 0.00 -0.22 0.00 0.00 54.13 54.75 3g6e s LEU 69 Cb -0.09 -3.27 -0.04 0.00 0.50 0.00 0.00 46.19 43.29 3g6e s LEU 69 CO 0.13 -1.79 1.27 0.00 -1.32 0.00 0.00 176.35 174.64 3g6e s ALA 70 N 6.98 3.52 0.80 5.97 0.00 -1.26 -4.89 121.76 132.88 3g6e s ALA 70 Ca 0.71 0.71 -0.05 0.00 0.00 0.00 0.00 51.96 53.32 3g6e s ALA 70 Cb -0.17 -3.54 0.14 0.00 0.00 0.00 0.00 23.12 19.54 3g6e s ALA 70 CO 0.30 -0.81 0.89 -2.30 0.00 0.00 0.00 175.76 173.84 3g6e n PRO 71 N 5.24 -0.38 -2.80 0.00 -0.02 -1.26 -2.24 135.00 133.54 3g6e n PRO 71 Ca 0.12 -1.92 -0.40 0.00 -2.02 0.00 0.00 63.50 59.28 3g6e n PRO 71 Cb 0.45 -0.74 -0.06 0.00 -0.02 0.00 0.00 33.50 33.13 3g6e n PRO 71 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 3g6e s GLU 72 N -4.82 4.78 -0.15 -0.52 2.12 -0.38 -4.13 118.70 115.61 3g6e s GLU 72 Ca 0.55 1.41 -0.01 0.00 0.36 0.00 0.00 54.97 57.28 3g6e s GLU 72 Cb -0.02 -3.25 0.00 0.00 0.26 0.00 0.00 34.13 31.12 3g6e s GLU 72 CO 0.37 0.52 0.13 0.41 -0.54 0.00 0.00 175.26 176.15 3g6e n GLY 73 N 1.46 0.61 3.01 -1.50 0.00 -1.26 -4.87 105.19 102.64 3g6e n GLY 73 Ca -0.03 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 3g6e n GLY 73 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 74 N -3.04 1.48 0.45 1.61 1.01 -1.26 -5.00 120.40 115.66 3g6e s VAL 74 Ca 0.04 -0.59 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3g6e s VAL 74 Cb -0.02 -1.40 -0.02 0.00 0.00 0.00 0.00 36.38 34.95 3g6e s VAL 74 CO 0.08 0.44 0.08 -0.83 0.00 0.00 0.00 175.10 174.87 3g6e s GLY 75 N 1.42 2.77 0.15 4.51 0.00 -1.26 -5.02 107.32 109.89 3g6e s GLY 75 Ca 0.03 -0.94 -0.31 0.00 0.00 0.00 0.00 44.72 43.50 3g6e s GLY 75 CO -0.09 -1.98 1.46 0.14 0.00 0.00 0.00 173.10 172.64 3g6e s VAL 76 N -3.07 2.97 0.00 1.40 1.01 -1.26 -2.60 120.40 118.84 3g6e s VAL 76 Ca 0.17 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.86 3g6e s VAL 76 Cb 0.02 -3.45 0.00 0.00 0.00 0.00 0.00 36.38 32.95 3g6e s VAL 76 CO 0.10 0.06 0.00 0.61 0.00 0.00 0.00 175.10 175.87 3g6e n GLY 77 N 3.45 2.41 3.75 4.51 0.00 -0.71 -5.00 105.19 113.59 3g6e n GLY 77 Ca 0.12 -0.14 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 3g6e n GLY 77 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3g6e n ASP 78 N 0.11 3.17 -4.64 1.61 9.92 -1.07 -4.66 116.55 120.99 3g6e n ASP 78 Ca 0.00 1.12 -0.35 0.00 -0.53 0.00 0.00 54.79 55.03 3g6e n ASP 78 Cb 0.00 -1.58 -0.10 0.00 -0.64 0.00 0.00 41.12 38.80 3g6e n ASP 78 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3g6e s GLU 79 N -2.37 4.00 -0.05 -1.24 2.12 -1.26 -2.07 118.70 117.84 3g6e s GLU 79 Ca 0.61 -0.32 0.04 0.00 0.36 0.00 0.00 54.97 55.66 3g6e s GLU 79 Cb -0.47 -3.30 -0.02 0.00 0.26 0.00 0.00 34.13 30.60 3g6e s GLU 79 CO 0.58 0.22 -0.17 -0.51 -0.54 0.00 0.00 175.26 174.84 3g6e s LEU 80 N 0.55 2.60 -0.07 2.70 1.43 -0.39 -4.98 118.68 120.51 3g6e s LEU 80 Ca 0.05 -0.26 0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3g6e s LEU 80 Cb -0.12 -1.51 -0.02 0.00 0.03 0.00 0.00 46.19 44.56 3g6e s LEU 80 CO 0.01 0.33 -0.19 -1.10 0.23 0.00 0.00 176.35 175.63 3g6e s GLN 81 N -0.64 2.68 -0.17 1.70 -0.21 -1.26 -1.28 119.66 120.48 3g6e s GLN 81 Ca 0.10 -0.79 0.01 0.00 0.02 0.00 0.00 55.36 54.69 3g6e s GLN 81 Cb -0.11 -2.32 0.03 0.00 1.00 0.00 0.00 33.01 31.61 3g6e s GLN 81 CO 0.01 0.44 -0.13 0.08 -2.12 0.00 0.00 175.29 173.56 3g6e s VAL 82 N -0.27 1.65 -5.00 1.09 1.01 -0.96 -2.11 120.40 115.82 3g6e s VAL 82 Ca 0.00 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.16 3g6e s VAL 82 Cb -0.13 -1.62 0.00 0.00 0.00 0.00 0.00 36.38 34.63 3g6e s VAL 82 CO 0.03 0.34 0.00 0.61 0.00 0.00 0.00 175.10 176.08 3g6e n GLY 83 N 4.72 -2.13 0.15 4.51 0.00 -0.69 -4.36 105.19 107.39 3g6e n GLY 83 Ca -0.16 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.31 3g6e n GLY 83 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3g6e h VAL 84 N 0.00 1.25 -0.35 1.61 2.07 -1.91 -3.16 116.25 115.76 3g6e h VAL 84 Ca 0.00 -0.89 -0.04 0.00 0.82 0.00 0.00 66.70 66.59 3g6e h VAL 84 Cb 0.00 1.35 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3g6e h VAL 84 CO 0.00 0.28 0.05 -1.20 0.02 0.00 0.00 177.57 176.72 3g6e n SER 85 N -4.64 3.61 -4.75 0.57 7.64 -1.26 -4.85 113.62 109.95 3g6e n SER 85 Ca -0.03 -2.57 -0.36 0.00 1.01 0.00 0.00 58.87 56.91 3g6e n SER 85 Cb 0.24 -0.62 0.04 0.00 -1.01 0.00 0.00 64.21 62.86 3g6e n SER 85 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3g6e s ALA 86 N -1.96 2.52 0.24 -0.43 0.00 -1.19 -4.99 121.76 115.94 3g6e s ALA 86 Ca 0.31 0.99 -0.30 0.00 0.00 0.00 0.00 51.96 52.96 3g6e s ALA 86 Cb 0.24 -3.45 -0.09 0.00 0.00 0.00 0.00 23.12 19.82 3g6e s ALA 86 CO 0.08 -1.20 1.21 -2.00 0.00 0.00 0.00 175.76 173.85 3g6e s GLU 87 N -3.39 4.49 -1.27 0.00 2.12 -1.26 -4.93 118.70 114.47 3g6e s GLU 87 Ca 0.77 1.94 -0.13 0.00 0.36 0.00 0.00 54.97 57.91 3g6e s GLU 87 Cb -0.30 -3.19 -0.05 0.00 0.26 0.00 0.00 34.13 30.85 3g6e s GLU 87 CO 0.34 -0.05 2.36 -0.89 -0.54 0.00 0.00 175.26 176.48 3g6e n ILE 88 N 1.88 3.19 -4.41 -3.70 5.41 -1.26 -4.78 119.36 115.69 3g6e n ILE 88 Ca 0.02 -2.32 -0.27 0.00 1.00 0.00 0.00 62.75 61.18 3g6e n ILE 88 Cb 0.44 -2.47 -0.12 0.00 -0.71 0.00 0.00 39.64 36.78 3g6e n ILE 88 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g6e s ALA 89 N 3.30 2.55 -0.00 -1.39 0.00 -1.26 -5.10 121.76 119.85 3g6e s ALA 89 Ca 0.54 -1.61 -0.30 0.00 0.00 0.00 0.00 51.96 50.59 3g6e s ALA 89 Cb 0.15 -0.36 -0.07 0.00 0.00 0.00 0.00 23.12 22.83 3g6e s ALA 89 CO -0.03 0.44 1.66 -2.14 0.00 0.00 0.00 175.76 175.70 3g6e s PRO 90 N -2.62 4.19 0.00 0.00 0.02 -1.26 -2.56 135.00 132.77 3g6e s PRO 90 Ca 0.20 2.26 0.00 0.00 0.02 0.00 0.00 61.00 63.48 3g6e s PRO 90 Cb -0.08 -3.85 0.00 0.00 0.02 0.00 0.00 34.50 30.58 3g6e s PRO 90 CO 0.10 -0.80 0.00 0.41 -0.33 0.00 0.00 177.00 176.38 3g6e n GLY 91 N 4.09 0.78 3.86 0.52 0.00 -0.67 -4.95 105.19 108.82 3g6e n GLY 91 Ca 0.17 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 3g6e n GLY 91 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3g6e s ASN 92 N -1.56 6.15 -0.22 1.61 -0.87 -1.06 -4.64 114.94 114.35 3g6e s ASN 92 Ca 0.00 0.31 -0.04 0.00 -1.57 0.00 0.00 52.86 51.56 3g6e s ASN 92 Cb 0.00 -1.90 -0.01 0.00 -0.02 0.00 0.00 41.25 39.32 3g6e s ASN 92 CO 0.00 0.30 -0.03 -0.89 -2.57 0.00 0.00 177.10 173.92 3g6e s THR 93 N -1.21 3.52 -0.03 1.60 2.01 -0.89 -1.77 115.64 118.87 3g6e s THR 93 Ca 0.23 -0.44 -0.16 0.00 0.31 0.00 0.00 61.69 61.62 3g6e s THR 93 Cb -0.12 -2.61 0.03 0.00 0.01 0.00 0.00 72.50 69.81 3g6e s THR 93 CO 0.13 0.41 0.35 -1.48 -0.69 0.00 0.00 174.62 173.35 3g6e s LEU 94 N 1.45 0.68 0.56 4.42 2.34 -1.07 -1.71 118.68 125.34 3g6e s LEU 94 Ca 0.05 0.21 -0.20 0.00 0.06 0.00 0.00 54.13 54.26 3g6e s LEU 94 Cb -0.14 1.39 -0.06 0.00 -0.56 0.00 0.00 46.19 46.82 3g6e s LEU 94 CO -0.02 -0.43 1.07 -0.81 -1.06 0.00 0.00 176.35 175.10 3g6e n PRO 95 N 1.40 1.17 0.12 1.48 -0.04 -1.26 -3.04 135.00 134.83 3g6e n PRO 95 Ca -0.21 0.44 0.19 0.00 -0.04 0.00 0.00 63.50 63.88 3g6e n PRO 95 Cb 0.56 -2.25 0.67 0.00 -0.04 0.00 0.00 33.50 32.45 3g6e n PRO 95 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3g6e h LEU 96 N 0.90 0.00 -0.38 1.53 3.38 -1.07 -1.19 115.31 118.47 3g6e h LEU 96 Ca -0.48 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.33 3g6e h LEU 96 Cb 1.34 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 42.09 3g6e h LEU 96 CO 0.53 0.00 -0.37 0.00 0.09 0.00 0.00 178.44 178.69 3g6e h ALA 97 N 1.22 0.55 0.00 1.53 0.00 -1.65 -3.19 119.26 117.73 3g6e h ALA 97 Ca 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3g6e h ALA 97 Cb 1.30 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.97 3g6e h ALA 97 CO -0.00 0.65 -0.02 0.93 0.00 0.00 0.00 179.25 180.81 3g6e h GLU 98 N 0.73 0.00 -6.02 0.00 4.39 -1.51 -3.45 114.58 108.73 3g6e h GLU 98 Ca 0.06 0.00 -0.57 0.00 0.34 0.00 0.00 59.36 59.20 3g6e h GLU 98 Cb 0.96 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.56 3g6e h GLU 98 CO 0.09 0.00 0.21 0.42 -1.16 0.00 0.00 179.01 178.57 3g6e s ILE 99 N -3.18 4.98 0.71 3.13 1.01 -1.15 -5.04 121.20 121.65 3g6e s ILE 99 Ca 0.08 1.54 -0.14 0.00 0.00 0.00 0.00 60.65 62.13 3g6e s ILE 99 Cb 0.07 -4.09 0.03 0.00 0.01 0.00 0.00 42.46 38.48 3g6e s ILE 99 CO 0.65 0.17 1.13 -2.16 0.00 0.00 0.00 174.94 174.73 3g6e s PRO 100 N 1.29 2.46 0.47 2.79 0.04 -1.26 -4.95 135.00 135.84 3g6e s PRO 100 Ca 0.39 1.47 -0.23 0.00 0.04 0.00 0.00 61.00 62.67 3g6e s PRO 100 Cb -0.18 -1.90 -0.07 0.00 0.04 0.00 0.00 34.50 32.39 3g6e s PRO 100 CO 0.17 -1.53 1.22 -1.21 0.04 0.00 0.00 177.00 175.69 3g6e s GLU 101 N -4.17 3.65 0.00 4.56 2.02 -1.26 -3.50 118.70 120.00 3g6e s GLU 101 Ca 0.68 1.92 0.00 0.00 0.02 0.00 0.00 54.97 57.59 3g6e s GLU 101 Cb -0.22 -2.42 0.00 0.00 0.10 0.00 0.00 34.13 31.59 3g6e s GLU 101 CO 0.45 -0.68 0.00 0.41 0.02 0.00 0.00 175.26 175.46 3g6e n GLY 102 N 0.54 0.51 3.48 -1.39 0.00 0.02 -5.02 105.19 103.34 3g6e n GLY 102 Ca 0.07 -0.28 -0.36 0.00 0.00 0.00 0.00 46.02 45.46 3g6e n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g6e s VAL 103 N -2.00 4.40 0.09 1.61 1.01 -1.23 -4.95 120.40 119.32 3g6e s VAL 103 Ca 0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 61.98 61.52 3g6e s VAL 103 Cb 0.00 -3.04 -0.09 0.00 0.00 0.00 0.00 36.38 33.26 3g6e s VAL 103 CO 0.00 0.36 1.66 -2.84 0.00 0.00 0.00 175.10 174.29 3g6e s PRO 104 N 1.34 4.19 0.19 2.72 0.02 -1.26 -3.56 135.00 138.64 3g6e s PRO 104 Ca 0.05 2.36 0.08 0.00 0.02 0.00 0.00 61.00 63.52 3g6e s PRO 104 Cb -0.15 -3.54 -0.04 0.00 0.02 0.00 0.00 34.50 30.78 3g6e s PRO 104 CO 0.03 -0.73 -0.17 0.54 -0.33 0.00 0.00 177.00 176.35 3g6e s VAL 105 N 2.47 1.83 0.16 3.83 0.11 0.69 -1.01 120.40 128.47 3g6e s VAL 105 Ca 0.74 -2.08 -0.01 0.00 -2.93 0.00 0.00 61.98 57.70 3g6e s VAL 105 Cb -0.41 -1.96 -0.04 0.00 -1.53 0.00 0.00 36.38 32.44 3g6e s VAL 105 CO 0.33 -0.45 0.08 0.00 -3.33 0.00 0.00 175.10 171.73 3g6e n ASN 107 N -0.16 -2.27 -4.74 0.00 5.15 0.06 -0.01 115.26 113.28 3g6e n ASN 107 Ca -0.03 -0.85 -0.40 0.00 -0.60 0.00 0.00 54.58 52.70 3g6e n ASN 107 Cb 0.65 -4.02 -0.05 0.00 -0.53 0.00 0.00 39.78 35.82 3g6e n ASN 107 CO 0.00 0.00 0.00 -0.69 1.40 0.00 0.00 177.26 177.97 3g6e s VAL 108 N -3.62 4.13 0.42 3.44 1.01 -0.47 -4.21 120.40 121.09 3g6e s VAL 108 Ca 0.12 2.03 -0.16 0.00 0.00 0.00 0.00 61.98 63.96 3g6e s VAL 108 Cb -0.03 -4.29 -0.09 0.00 0.00 0.00 0.00 36.38 31.97 3g6e s VAL 108 CO 0.82 0.44 0.86 -1.61 0.00 0.00 0.00 175.10 175.60 3g6e s GLU 109 N -0.87 3.99 -0.21 2.72 2.02 -0.84 0.24 118.70 125.76 3g6e s GLU 109 Ca 0.43 0.81 -0.19 0.00 0.02 0.00 0.00 54.97 56.04 3g6e s GLU 109 Cb -0.26 -2.28 -0.16 0.00 0.10 0.00 0.00 34.13 31.53 3g6e s GLU 109 CO 0.32 -0.04 0.09 0.45 0.02 0.00 0.00 175.26 176.10 3g6e n SER 110 N -0.96 1.87 -4.24 -0.19 2.88 -1.26 -4.84 113.62 106.88 3g6e n SER 110 Ca 0.05 0.44 -0.32 0.00 -1.33 0.00 0.00 58.87 57.71 3g6e n SER 110 Cb 0.54 -0.94 -0.17 0.00 -0.75 0.00 0.00 64.21 62.89 3g6e n SER 110 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3g6e s SER 111 N -6.79 3.14 -0.24 -3.46 0.15 -1.26 -4.71 113.70 100.53 3g6e s SER 111 Ca -0.28 -0.54 -0.40 0.00 0.70 0.00 0.00 55.95 55.43 3g6e s SER 111 Cb 0.06 -1.33 -0.15 0.00 -1.71 0.00 0.00 66.02 62.89 3g6e s SER 111 CO 0.53 0.17 1.72 -0.81 1.20 0.00 0.00 173.24 176.06 3g6e n PRO 112 N 3.43 1.21 -0.17 5.44 -0.04 -1.26 -2.34 135.00 141.27 3g6e n PRO 112 Ca -0.19 0.44 0.00 0.00 -0.04 0.00 0.00 63.50 63.72 3g6e n PRO 112 Cb 0.53 -2.13 0.00 0.00 -0.04 0.00 0.00 33.50 31.86 3g6e n PRO 112 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3g6e n GLY 113 N 4.09 0.87 0.17 0.55 0.00 -1.26 -4.98 105.19 104.63 3g6e n GLY 113 Ca 0.26 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.33 3g6e n GLY 113 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3g6e h ASP 114 N 0.00 0.00 0.00 1.61 3.04 -1.89 -3.48 116.42 115.70 3g6e h ASP 114 Ca 0.00 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.79 3g6e h ASP 114 Cb 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.29 3g6e h ASP 114 CO 0.00 0.35 0.00 0.61 -2.04 0.00 0.00 179.24 178.16 3g6e n GLY 115 N 1.13 0.68 0.00 7.15 0.00 -1.26 -4.88 105.19 108.02 3g6e n GLY 115 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 3g6e n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 116 N -1.40 2.02 1.07 -0.02 0.00 -1.26 -2.56 105.19 103.04 3g6e n GLY 116 Ca 0.00 -1.19 0.00 0.00 0.00 0.00 0.00 46.02 44.83 3g6e n GLY 116 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6e n LYS 117 N 2.09 0.00 -2.59 1.61 4.76 0.14 -4.90 118.16 119.27 3g6e n LYS 117 Ca 0.00 0.00 -0.28 0.00 -2.87 0.00 0.00 58.31 55.16 3g6e n LYS 117 Cb 0.00 -0.47 -0.00 0.00 -1.84 0.00 0.00 35.03 32.72 3g6e n LYS 117 CO 0.00 0.00 0.00 -0.06 -1.37 0.00 0.00 177.40 175.97 3g6e s PHE 118 N -2.00 3.56 -0.84 2.13 0.40 -0.12 -4.64 117.98 116.47 3g6e s PHE 118 Ca 0.00 0.88 -0.03 0.00 -0.60 0.00 0.00 56.93 57.18 3g6e s PHE 118 Cb 0.00 -2.35 0.00 0.00 0.51 0.00 0.00 43.02 41.18 3g6e s PHE 118 CO 0.00 -0.29 0.65 0.00 0.70 0.00 0.00 175.22 176.27 3g6e n ALA 119 N -2.19 -2.70 0.00 5.36 0.00 -1.26 -1.37 120.51 118.34 3g6e n ALA 119 Ca 0.01 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.24 3g6e n ALA 119 Cb 0.55 -1.25 -0.00 0.00 0.00 0.00 0.00 19.45 18.75 3g6e n ALA 119 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 3g6e n ARG 120 N -2.61 0.91 -1.54 0.00 1.74 -1.26 -0.76 116.66 113.13 3g6e n ARG 120 Ca -0.21 -0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.57 3g6e n ARG 120 Cb 0.63 -0.94 0.09 0.00 -1.02 0.00 0.00 32.46 31.21 3g6e n ARG 120 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6e s ALA 121 N -1.90 2.25 -0.17 7.54 0.00 -1.26 -4.95 121.76 123.28 3g6e s ALA 121 Ca -0.00 -0.17 -0.38 0.00 0.00 0.00 0.00 51.96 51.40 3g6e s ALA 121 Cb 0.00 -3.12 -0.15 0.00 0.00 0.00 0.00 23.12 19.85 3g6e s ALA 121 CO 0.02 -1.72 1.69 0.43 0.00 0.00 0.00 175.76 176.18 3g6e n SER 122 N -3.43 2.43 0.00 0.00 7.64 -1.26 -2.92 113.62 116.09 3g6e n SER 122 Ca 0.07 1.07 0.00 0.00 1.01 0.00 0.00 58.87 61.02 3g6e n SER 122 Cb 0.56 -1.19 0.00 0.00 -1.01 0.00 0.00 64.21 62.57 3g6e n SER 122 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3g6e n GLY 123 N 3.90 1.59 3.86 0.23 0.00 -1.06 -4.70 105.19 109.00 3g6e n GLY 123 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.97 3g6e n GLY 123 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g6e s VAL 124 N -2.14 2.74 0.13 1.61 -7.23 -1.15 -4.50 120.40 109.86 3g6e s VAL 124 Ca 0.00 0.24 -0.23 0.00 -1.81 0.00 0.00 61.98 60.18 3g6e s VAL 124 Cb 0.00 -3.15 0.07 0.00 0.56 0.00 0.00 36.38 33.85 3g6e s VAL 124 CO 0.00 -0.31 0.58 0.54 -0.31 0.00 0.00 175.10 175.60 3g6e s ASN 125 N -4.29 -0.54 -0.01 4.85 2.20 -1.26 -1.80 114.94 114.10 3g6e s ASN 125 Ca 0.61 0.05 0.02 0.00 -0.94 0.00 0.00 52.86 52.60 3g6e s ASN 125 Cb -0.12 0.57 -0.04 0.00 -2.00 0.00 0.00 41.25 39.67 3g6e s ASN 125 CO 0.52 -0.91 -0.01 0.00 -2.94 0.00 0.00 177.10 173.76 3g6e s ALA 126 N -3.41 3.23 -0.21 3.54 0.00 0.13 -3.67 121.76 121.38 3g6e s ALA 126 Ca -0.00 -0.96 -0.05 0.00 0.00 0.00 0.00 51.96 50.95 3g6e s ALA 126 Cb -0.01 -1.31 -0.02 0.00 0.00 0.00 0.00 23.12 21.79 3g6e s ALA 126 CO -0.10 0.64 -0.01 -1.14 0.00 0.00 0.00 175.76 175.15 3g6e s GLN 127 N -1.49 3.56 -0.15 0.00 2.00 0.16 -0.22 119.66 123.50 3g6e s GLN 127 Ca 0.19 -0.55 -0.24 0.00 -2.00 0.00 0.00 55.36 52.76 3g6e s GLN 127 Cb -0.11 -3.07 -0.02 0.00 0.80 0.00 0.00 33.01 30.60 3g6e s GLN 127 CO 0.09 -0.05 0.78 -1.17 -0.50 0.00 0.00 175.29 174.45 3g6e s LEU 128 N 1.15 4.20 -0.00 3.68 2.96 -1.23 0.27 118.68 129.71 3g6e s LEU 128 Ca 0.03 1.14 -0.01 0.00 -0.22 0.00 0.00 54.13 55.06 3g6e s LEU 128 Cb -0.14 -3.17 -0.00 0.00 0.50 0.00 0.00 46.19 43.37 3g6e s LEU 128 CO 0.01 -0.33 -0.03 0.18 -1.32 0.00 0.00 176.35 174.86 3g6e n LEU 129 N 4.92 0.29 -4.78 -0.68 4.77 -0.35 -0.80 117.00 120.37 3g6e n LEU 129 Ca 0.03 0.04 -0.32 0.00 -0.03 0.00 0.00 56.01 55.73 3g6e n LEU 129 Cb 0.49 -0.25 -0.07 0.00 -2.33 0.00 0.00 43.42 41.27 3g6e n LEU 129 CO 0.47 -0.52 -0.26 -0.89 -1.33 0.00 0.00 177.39 174.87 3g6e s THR 130 N -1.27 4.65 0.16 -5.08 2.01 -1.22 -4.61 115.64 110.29 3g6e s THR 130 Ca -0.02 -0.51 0.10 0.00 0.31 0.00 0.00 61.69 61.57 3g6e s THR 130 Cb 0.00 -3.16 -0.04 0.00 0.01 0.00 0.00 72.50 69.31 3g6e s THR 130 CO 0.03 0.29 -0.22 -1.00 -0.69 0.00 0.00 174.62 173.03 3g6e s HIS 131 N -1.24 2.39 0.33 4.92 3.76 -1.26 -2.37 115.29 121.82 3g6e s HIS 131 Ca 0.25 -0.33 -0.17 0.00 -0.15 0.00 0.00 55.06 54.65 3g6e s HIS 131 Cb -0.12 -1.24 0.06 0.00 1.11 0.00 0.00 32.58 32.40 3g6e s HIS 131 CO 0.16 0.43 0.87 0.34 -0.85 0.00 0.00 174.74 175.69 3g6e s ASP 132 N -2.39 0.02 0.20 1.40 -1.08 -1.05 -4.98 116.67 108.79 3g6e s ASP 132 Ca 0.19 -1.03 0.19 0.00 -0.52 0.00 0.00 52.55 51.38 3g6e s ASP 132 Cb -0.09 0.75 0.01 0.00 -1.46 0.00 0.00 42.92 42.13 3g6e s ASP 132 CO 0.09 -1.49 1.12 0.03 0.52 0.00 0.00 175.17 175.44 3g6e h ARG 133 N 2.00 0.00 0.00 4.34 3.08 -2.03 -3.39 114.38 118.38 3g6e h ARG 133 Ca -0.31 0.00 -0.29 0.00 0.07 0.00 0.00 59.98 59.45 3g6e h ARG 133 Cb 1.24 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 31.24 3g6e h ARG 133 CO 0.40 0.18 -2.09 0.09 -1.07 0.00 0.00 179.97 177.47 3g6e n ASN 134 N -2.90 2.37 -3.99 7.04 3.02 -1.26 -4.94 115.26 114.60 3g6e n ASN 134 Ca -0.02 -0.09 -0.14 0.00 -0.03 0.00 0.00 54.58 54.30 3g6e n ASN 134 Cb 0.67 -0.18 -0.13 0.00 -0.61 0.00 0.00 39.78 39.53 3g6e n ASN 134 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 3g6e s VAL 135 N -2.38 0.39 -0.25 2.41 0.11 -1.26 -4.44 120.40 114.98 3g6e s VAL 135 Ca -0.24 -0.61 0.03 0.00 -2.93 0.00 0.00 61.98 58.23 3g6e s VAL 135 Cb 0.06 -0.41 0.06 0.00 -1.53 0.00 0.00 36.38 34.56 3g6e s VAL 135 CO 0.46 -0.15 -0.12 0.00 -3.33 0.00 0.00 175.10 171.96 3g6e s ALA 136 N -0.74 2.51 -0.29 1.54 0.00 0.90 -2.54 121.76 123.15 3g6e s ALA 136 Ca -0.05 -1.69 -0.25 0.00 0.00 0.00 0.00 51.96 49.98 3g6e s ALA 136 Cb -0.06 -1.54 0.00 0.00 0.00 0.00 0.00 23.12 21.53 3g6e s ALA 136 CO -0.00 -1.11 0.87 0.08 0.00 0.00 0.00 175.76 175.60 3g6e s VAL 137 N 1.14 4.74 -0.09 0.00 1.01 -1.00 -1.23 120.40 124.98 3g6e s VAL 137 Ca -0.07 1.44 0.02 0.00 0.00 0.00 0.00 61.98 63.36 3g6e s VAL 137 Cb -0.19 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.97 3g6e s VAL 137 CO -0.06 -0.24 -0.13 -0.69 0.00 0.00 0.00 175.10 173.97 3g6e s VAL 138 N 3.07 3.08 -0.47 2.92 1.01 -0.21 -1.21 120.40 128.59 3g6e s VAL 138 Ca 0.36 -0.69 -0.16 0.00 0.00 0.00 0.00 61.98 61.50 3g6e s VAL 138 Cb -0.14 -2.25 0.07 0.00 0.00 0.00 0.00 36.38 34.07 3g6e s VAL 138 CO 0.11 0.56 0.40 -0.75 0.00 0.00 0.00 175.10 175.43 3g6e s LYS 139 N -0.26 2.98 0.78 2.72 2.20 0.14 -0.00 119.74 128.31 3g6e s LYS 139 Ca 0.02 -1.35 -0.10 0.00 -0.36 0.00 0.00 55.97 54.18 3g6e s LYS 139 Cb -0.13 -4.13 0.06 0.00 -1.51 0.00 0.00 37.83 32.12 3g6e s LYS 139 CO 0.03 -1.04 1.10 -0.51 -0.36 0.00 0.00 175.35 174.57 3g6e s LEU 140 N 1.66 3.02 0.49 5.43 1.43 -0.43 -0.67 118.68 129.62 3g6e s LEU 140 Ca 0.04 1.86 0.20 0.00 -1.03 0.00 0.00 54.13 55.20 3g6e s LEU 140 Cb -0.24 -4.53 1.10 0.00 0.03 0.00 0.00 46.19 42.55 3g6e s LEU 140 CO 0.07 -2.13 1.57 1.55 0.23 0.00 0.00 176.35 177.64 3g6e h PRO 141 N -1.19 0.00 0.00 1.29 0.13 -1.90 -0.41 132.00 129.92 3g6e h PRO 141 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 3g6e h PRO 141 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 3g6e h PRO 141 CO 0.50 0.00 -0.34 -1.13 -0.23 0.00 0.00 178.00 176.80 3g6e n SER 142 N -2.45 0.52 0.00 1.44 3.41 -1.26 -4.92 113.62 110.37 3g6e n SER 142 Ca -0.01 0.20 0.00 0.00 -0.26 0.00 0.00 58.87 58.79 3g6e n SER 142 Cb 0.37 -0.14 0.00 0.00 -0.26 0.00 0.00 64.21 64.18 3g6e n SER 142 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3g6e n GLY 143 N 1.41 0.82 3.77 5.00 0.00 -0.16 -5.08 105.19 110.94 3g6e n GLY 143 Ca 0.05 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.68 3g6e n GLY 143 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3g6e s GLU 144 N -0.99 4.48 -0.78 1.61 2.12 -1.25 -4.86 118.70 119.03 3g6e s GLU 144 Ca 0.00 1.04 -0.21 0.00 0.36 0.00 0.00 54.97 56.17 3g6e s GLU 144 Cb 0.00 -3.30 0.10 0.00 0.26 0.00 0.00 34.13 31.18 3g6e s GLU 144 CO 0.00 0.46 1.03 -1.64 -0.54 0.00 0.00 175.26 174.57 3g6e s MET 145 N -0.66 3.32 -0.28 4.30 -1.94 -1.26 -1.31 119.30 121.47 3g6e s MET 145 Ca 0.36 -1.25 -0.19 0.00 -1.71 0.00 0.00 55.69 52.89 3g6e s MET 145 Cb -0.21 -4.55 -0.02 0.00 2.01 0.00 0.00 34.83 32.06 3g6e s MET 145 CO 0.23 -1.80 0.57 0.21 -0.01 0.00 0.00 175.02 174.23 3g6e s LYS 146 N 3.45 3.99 -0.41 2.03 2.47 1.00 -4.92 119.74 127.35 3g6e s LYS 146 Ca 0.27 0.33 -0.26 0.00 -1.56 0.00 0.00 55.97 54.75 3g6e s LYS 146 Cb -0.12 -3.69 0.02 0.00 -1.46 0.00 0.00 37.83 32.59 3g6e s LYS 146 CO 0.01 -0.45 0.95 1.03 0.16 0.00 0.00 175.35 177.05 3g6e s ARG 147 N 2.45 3.71 0.27 4.03 0.52 -1.26 -1.05 118.95 127.63 3g6e s ARG 147 Ca 0.23 0.42 0.11 0.00 -0.52 0.00 0.00 55.73 55.97 3g6e s ARG 147 Cb -0.15 -3.86 -0.05 0.00 0.52 0.00 0.00 34.95 31.41 3g6e s ARG 147 CO 0.10 -1.09 -0.17 -0.51 0.02 0.00 0.00 175.30 173.65 3g6e s LEU 148 N 3.67 2.60 0.07 2.53 1.43 -0.37 -4.96 118.68 123.65 3g6e s LEU 148 Ca 0.39 -1.06 -0.31 0.00 -1.03 0.00 0.00 54.13 52.12 3g6e s LEU 148 Cb -0.11 -0.98 -0.06 0.00 0.03 0.00 0.00 46.19 45.07 3g6e s LEU 148 CO 0.23 -0.05 1.28 -0.62 0.23 0.00 0.00 176.35 177.42 3g6e s ASP 149 N -3.48 6.97 0.00 2.29 -1.08 -1.26 -0.07 116.67 120.04 3g6e s ASP 149 Ca 0.29 2.13 0.05 0.00 -0.52 0.00 0.00 52.55 54.49 3g6e s ASP 149 Cb -0.03 -2.58 0.22 0.00 -1.46 0.00 0.00 42.92 39.07 3g6e s ASP 149 CO 0.13 -0.55 1.12 -0.81 0.52 0.00 0.00 175.17 175.58 3g6e n PRO 150 N 4.07 0.02 -0.00 4.34 -0.04 -1.26 -1.90 135.00 140.22 3g6e n PRO 150 Ca 0.10 0.38 0.14 0.00 -0.04 0.00 0.00 63.50 64.08 3g6e n PRO 150 Cb 0.45 -1.50 0.54 0.00 -0.04 0.00 0.00 33.50 32.95 3g6e n PRO 150 CO 0.00 0.00 0.00 0.94 -0.04 0.00 0.00 175.50 176.40 3g6e n GLN 151 N -1.45 1.64 -2.51 0.54 -0.06 -1.26 -1.75 117.38 112.53 3g6e n GLN 151 Ca 0.01 -0.93 -0.43 0.00 -2.00 0.00 0.00 57.00 53.66 3g6e n GLN 151 Cb 0.05 -1.48 -0.02 0.00 -4.06 0.00 0.00 30.24 24.73 3g6e n GLN 151 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 3g6e s ARG 153 N 2.50 3.33 -0.04 0.00 0.52 -1.26 -1.59 118.95 122.42 3g6e s ARG 153 Ca 0.53 1.12 -0.30 0.00 -0.52 0.00 0.00 55.73 56.56 3g6e s ARG 153 Cb -0.22 -2.04 0.07 0.00 0.52 0.00 0.00 34.95 33.28 3g6e s ARG 153 CO 0.19 -0.79 0.70 0.00 0.02 0.00 0.00 175.30 175.41 3g6e s ALA 154 N -2.59 -1.77 -0.18 2.13 0.00 -1.17 -1.98 121.76 116.20 3g6e s ALA 154 Ca 0.62 1.26 -0.09 0.00 0.00 0.00 0.00 51.96 53.75 3g6e s ALA 154 Cb -0.15 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 22.96 3g6e s ALA 154 CO 0.40 -0.41 0.13 0.99 0.00 0.00 0.00 175.76 176.87 3g6e s THR 155 N -1.45 5.38 0.19 0.00 2.01 0.99 -2.61 115.64 120.14 3g6e s THR 155 Ca -0.09 0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.78 3g6e s THR 155 Cb -0.00 -3.42 -0.08 0.00 0.01 0.00 0.00 72.50 69.01 3g6e s THR 155 CO 0.07 0.49 1.19 -0.63 -0.69 0.00 0.00 174.62 175.05 3g6e s ILE 156 N -0.01 3.57 0.00 1.82 1.01 -0.73 0.52 121.20 127.38 3g6e s ILE 156 Ca 0.09 1.33 0.00 0.00 0.00 0.00 0.00 60.65 62.08 3g6e s ILE 156 Cb -0.11 -3.85 0.00 0.00 0.01 0.00 0.00 42.46 38.51 3g6e s ILE 156 CO -0.00 0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.77 3g6e n GLY 157 N 2.12 1.82 3.90 6.18 0.00 -0.18 -1.67 105.19 117.36 3g6e n GLY 157 Ca 0.04 -2.12 -0.28 0.00 0.00 0.00 0.00 46.02 43.66 3g6e n GLY 157 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3g6e s VAL 158 N -1.82 4.92 0.47 1.61 -7.23 -1.26 -3.04 120.40 114.05 3g6e s VAL 158 Ca 0.00 0.22 -0.22 0.00 -1.81 0.00 0.00 61.98 60.17 3g6e s VAL 158 Cb 0.00 -3.79 -0.07 0.00 0.56 0.00 0.00 36.38 33.08 3g6e s VAL 158 CO 0.00 -0.58 1.16 -0.69 -0.31 0.00 0.00 175.10 174.69 3g6e s VAL 159 N -2.41 3.09 0.78 1.32 1.01 -0.74 -1.25 120.40 122.20 3g6e s VAL 159 Ca 0.47 0.80 -0.11 0.00 0.00 0.00 0.00 61.98 63.14 3g6e s VAL 159 Cb -0.10 -3.40 0.06 0.00 0.00 0.00 0.00 36.38 32.94 3g6e s VAL 159 CO 0.36 -0.03 1.08 0.00 0.00 0.00 0.00 175.10 176.51 3g6e s ALA 160 N -1.57 2.27 0.00 5.51 0.00 -0.95 -2.57 121.76 124.45 3g6e s ALA 160 Ca 0.65 0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.61 3g6e s ALA 160 Cb -0.28 -3.18 0.00 0.00 0.00 0.00 0.00 23.12 19.66 3g6e s ALA 160 CO 0.34 -1.68 0.00 0.41 0.00 0.00 0.00 175.76 174.83 3g6e n GLY 161 N -1.73 0.64 3.75 0.00 0.00 -1.26 -3.13 105.19 103.46 3g6e n GLY 161 Ca 0.08 -0.76 -0.37 0.00 0.00 0.00 0.00 46.02 44.96 3g6e n GLY 161 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6e s GLY 162 N -2.79 2.84 0.00 -0.02 0.00 -1.26 -3.66 107.32 102.42 3g6e s GLY 162 Ca 0.00 1.19 0.00 0.00 0.00 0.00 0.00 44.72 45.91 3g6e s GLY 162 CO 0.00 1.65 0.00 0.61 0.00 0.00 0.00 173.10 175.36 3g6e n GLY 163 N 0.67 0.49 0.35 0.20 0.00 -1.26 -4.93 105.19 100.72 3g6e n GLY 163 Ca 0.12 -0.50 -0.02 0.00 0.00 0.00 0.00 46.02 45.62 3g6e n GLY 163 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3g6e h ARG 164 N 0.64 1.11 0.00 1.61 2.43 -1.91 -2.22 114.38 116.03 3g6e h ARG 164 Ca 0.00 -0.10 0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3g6e h ARG 164 Cb 0.00 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 29.32 3g6e h ARG 164 CO 0.00 0.78 0.00 2.41 -1.51 0.00 0.00 179.97 181.65 3g6e n THR 165 N -4.37 0.69 0.06 0.20 -1.04 -1.26 -3.71 114.28 104.85 3g6e n THR 165 Ca 0.09 0.13 -0.07 0.00 -2.04 0.00 0.00 64.05 62.16 3g6e n THR 165 Cb 0.07 -0.87 0.08 0.00 -1.82 0.00 0.00 70.33 67.79 3g6e n THR 165 CO 0.00 0.00 0.00 0.44 -0.64 0.00 0.00 175.07 174.87 3g6e h ASP 166 N 0.00 0.39 -3.28 8.00 3.32 -1.81 -3.43 116.42 119.60 3g6e h ASP 166 Ca 0.00 -0.23 -0.58 0.00 0.02 0.00 0.00 57.03 56.24 3g6e h ASP 166 Cb 0.38 -0.11 -0.07 0.00 0.22 0.00 0.00 39.33 39.75 3g6e h ASP 166 CO 0.00 0.92 -0.12 -0.75 -1.72 0.00 0.00 179.24 177.57 3g6e s LYS 167 N -3.74 4.28 0.62 3.56 2.20 -1.24 -5.07 119.74 120.34 3g6e s LYS 167 Ca -0.05 0.50 -0.14 0.00 -0.36 0.00 0.00 55.97 55.92 3g6e s LYS 167 Cb 0.11 -3.39 -0.02 0.00 -1.51 0.00 0.00 37.83 33.02 3g6e s LYS 167 CO 0.82 0.27 1.06 -1.25 -0.36 0.00 0.00 175.35 175.89 3g6e s PRO 168 N 0.23 3.21 0.51 4.03 0.04 -1.26 -4.95 135.00 136.80 3g6e s PRO 168 Ca 0.27 1.14 0.29 0.00 0.04 0.00 0.00 61.00 62.74 3g6e s PRO 168 Cb -0.16 -2.02 1.22 0.00 0.04 0.00 0.00 34.50 33.58 3g6e s PRO 168 CO 0.12 -0.89 1.94 0.74 0.04 0.00 0.00 177.00 178.95 3g6e h PHE 169 N 0.12 0.00 0.00 0.56 -1.00 -1.97 -3.46 116.94 111.19 3g6e h PHE 169 Ca -0.46 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.32 3g6e h PHE 169 Cb 1.22 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.78 3g6e h PHE 169 CO 0.59 0.10 0.00 0.28 -1.61 0.00 0.00 178.31 177.68 3g6e n VAL 170 N -3.27 0.00 -4.26 -0.55 0.31 -1.26 -4.63 118.33 104.66 3g6e n VAL 170 Ca 0.00 0.00 -0.20 0.00 -0.01 0.00 0.00 64.34 64.13 3g6e n VAL 170 Cb 0.34 0.00 -0.11 0.00 -0.91 0.00 0.00 33.84 33.16 3g6e n VAL 170 CO 0.00 0.00 0.00 -1.59 -1.32 0.00 0.00 176.83 173.92 3g6e s LYS 171 N 0.00 1.08 0.48 5.55 -2.85 -1.26 -5.04 119.74 117.70 3g6e s LYS 171 Ca 0.00 -1.24 0.17 0.00 -1.00 0.00 0.00 55.97 53.90 3g6e s LYS 171 Cb 0.00 -1.06 1.18 0.00 -2.06 0.00 0.00 37.83 35.89 3g6e s LYS 171 CO 0.00 0.22 2.04 0.00 0.10 0.00 0.00 175.35 177.70 3g6e h ALA 172 N 3.60 2.12 -0.41 0.59 0.00 -2.01 -2.30 119.26 120.85 3g6e h ALA 172 Ca -0.41 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.45 3g6e h ALA 172 Cb 1.20 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.93 3g6e h ALA 172 CO 0.48 -0.22 0.09 0.78 0.00 0.00 0.00 179.25 180.39 3g6e h GLY 173 N 0.20 0.65 1.46 0.00 0.00 -1.96 -0.73 103.07 102.68 3g6e h GLY 173 Ca 0.19 -0.35 -0.15 0.00 0.00 0.00 0.00 47.33 47.02 3g6e h GLY 173 CO -0.03 0.33 -0.46 3.43 0.00 0.00 0.00 176.54 179.80 3g6e h ASN 174 N 0.59 0.63 -0.42 0.19 2.35 -1.67 -2.59 115.58 114.67 3g6e h ASN 174 Ca 0.14 -0.30 -0.10 0.00 -0.55 0.00 0.00 56.30 55.48 3g6e h ASN 174 Cb 0.24 -0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3g6e h ASN 174 CO -0.00 1.00 -0.12 0.50 -1.65 0.00 0.00 177.43 177.16 3g6e h LYS 175 N 0.47 0.82 -0.43 0.81 3.11 -1.47 -2.61 116.57 117.27 3g6e h LYS 175 Ca 0.03 -0.32 0.08 0.00 -2.81 0.00 0.00 60.65 57.63 3g6e h LYS 175 Cb 0.99 -0.04 -0.08 0.00 -1.00 0.00 0.00 32.23 32.10 3g6e h LYS 175 CO 0.09 0.95 -0.07 1.25 -2.81 0.00 0.00 179.45 178.86 3g6e h HIS 176 N 0.64 -0.15 -0.62 1.91 2.76 -0.93 0.86 115.15 119.62 3g6e h HIS 176 Ca 0.10 0.04 -0.07 0.00 -2.20 0.00 0.00 60.37 58.24 3g6e h HIS 176 Cb 0.65 0.13 -0.03 0.00 1.55 0.00 0.00 27.41 29.72 3g6e h HIS 176 CO 0.05 -0.15 0.11 0.45 -1.30 0.00 0.00 177.93 177.09 3g6e h HIS 177 N 0.04 1.06 -0.28 5.26 3.86 -1.37 -1.46 115.15 122.25 3g6e h HIS 177 Ca 0.21 -0.13 -0.10 0.00 -1.16 0.00 0.00 60.37 59.19 3g6e h HIS 177 Cb 0.32 -0.30 -0.01 0.00 1.06 0.00 0.00 27.41 28.49 3g6e h HIS 177 CO -0.34 0.89 -0.21 -0.22 0.86 0.00 0.00 177.93 178.91 3g6e h LYS 178 N 0.95 0.64 0.00 2.45 3.64 -0.97 -3.15 116.57 120.12 3g6e h LYS 178 Ca 0.19 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 3g6e h LYS 178 Cb 0.40 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3g6e h LYS 178 CO 0.01 0.91 -0.15 1.98 -2.27 0.00 0.00 179.45 179.93 3g6e h MET 179 N 0.38 0.00 0.00 1.90 4.05 -0.69 -2.26 114.93 118.31 3g6e h MET 179 Ca 0.05 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 3g6e h MET 179 Cb 0.76 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.56 3g6e h MET 179 CO 0.06 0.15 0.00 1.17 0.23 0.00 0.00 176.91 178.51 3g6e n LYS 180 N -3.37 0.18 -0.05 0.39 4.81 -0.56 -2.31 118.16 117.24 3g6e n LYS 180 Ca -0.00 0.31 0.11 0.00 -0.87 0.00 0.00 58.31 57.85 3g6e n LYS 180 Cb 0.35 -1.78 0.12 0.00 0.02 0.00 0.00 35.03 33.74 3g6e n LYS 180 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g6e n ALA 181 N -1.72 2.45 -2.66 3.14 0.00 -0.85 -4.80 120.51 116.06 3g6e n ALA 181 Ca 0.04 -0.76 -0.30 0.00 0.00 0.00 0.00 53.44 52.42 3g6e n ALA 181 Cb 0.29 -0.74 -0.09 0.00 0.00 0.00 0.00 19.45 18.91 3g6e n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 3g6e s ARG 182 N -1.66 2.09 -1.16 0.00 1.81 -0.98 -4.70 118.95 114.36 3g6e s ARG 182 Ca 0.28 -2.21 -0.05 0.00 -1.72 0.00 0.00 55.73 52.02 3g6e s ARG 182 Cb 0.19 -1.63 0.25 0.00 -0.45 0.00 0.00 34.95 33.30 3g6e s ARG 182 CO 0.27 -0.21 1.80 0.41 -0.68 0.00 0.00 175.30 176.90 3g6e n GLY 183 N -1.14 5.29 3.07 -3.53 0.00 -1.26 -4.50 105.19 103.12 3g6e n GLY 183 Ca -0.11 -2.41 -0.13 0.00 0.00 0.00 0.00 46.02 43.38 3g6e n GLY 183 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3g6e s THR 184 N -2.08 -0.01 -0.12 2.61 2.01 -1.26 -4.81 115.64 111.99 3g6e s THR 184 Ca 0.38 0.03 -0.24 0.00 0.31 0.00 0.00 61.69 62.17 3g6e s THR 184 Cb 0.11 -0.29 -0.03 0.00 0.01 0.00 0.00 72.50 72.31 3g6e s THR 184 CO 0.00 0.01 0.74 -0.75 -0.69 0.00 0.00 174.62 173.94 3g6e s LYS 185 N 0.29 4.36 -0.05 4.92 2.47 -1.26 -4.88 119.74 125.59 3g6e s LYS 185 Ca -0.02 0.90 -0.09 0.00 -1.56 0.00 0.00 55.97 55.21 3g6e s LYS 185 Cb -0.03 -3.51 0.02 0.00 -1.46 0.00 0.00 37.83 32.85 3g6e s LYS 185 CO -0.01 -0.12 0.22 -0.46 0.16 0.00 0.00 175.35 175.13 3g6e s TRP 186 N 1.44 -0.16 0.94 4.03 -0.00 -1.26 -4.77 118.94 119.16 3g6e s TRP 186 Ca 0.37 0.36 -0.12 0.00 -0.00 0.00 0.00 56.10 56.70 3g6e s TRP 186 Cb -0.17 0.05 0.15 0.00 -0.00 0.00 0.00 33.47 33.50 3g6e s TRP 186 CO 0.15 -0.21 1.11 -1.25 -0.00 0.00 0.00 176.95 176.75 3g6e s PRO 187 N -0.51 0.90 -0.32 5.86 0.04 -1.26 -5.11 135.00 134.59 3g6e s PRO 187 Ca -0.06 0.48 -0.11 0.00 0.04 0.00 0.00 61.00 61.35 3g6e s PRO 187 Cb -0.04 -1.79 -0.01 0.00 0.04 0.00 0.00 34.50 32.69 3g6e s PRO 187 CO 0.01 -2.40 0.19 -0.80 0.04 0.00 0.00 177.00 174.04 3g6e s ASN 188 N -3.69 5.78 -0.11 6.66 0.01 -1.26 -5.08 114.94 117.26 3g6e s ASN 188 Ca 0.64 -0.44 -0.17 0.00 -0.71 0.00 0.00 52.86 52.18 3g6e s ASN 188 Cb -0.17 -2.06 -0.04 0.00 0.41 0.00 0.00 41.25 39.38 3g6e s ASN 188 CO 0.56 -0.20 0.45 -0.69 -1.51 0.00 0.00 177.10 175.71 3g6e s VAL 189 N 1.67 5.18 0.40 1.60 1.01 -1.26 -5.05 120.40 123.95 3g6e s VAL 189 Ca 0.05 0.89 -0.26 0.00 0.00 0.00 0.00 61.98 62.67 3g6e s VAL 189 Cb -0.17 -3.78 -0.09 0.00 0.00 0.00 0.00 36.38 32.34 3g6e s VAL 189 CO 0.08 0.36 1.22 -0.13 0.00 0.00 0.00 175.10 176.64 3g6e s ARG 190 N 0.42 4.04 0.36 2.72 0.52 -1.26 -4.92 118.95 120.82 3g6e s ARG 190 Ca 0.24 1.97 0.06 0.00 -0.52 0.00 0.00 55.73 57.49 3g6e s ARG 190 Cb -0.15 -2.73 0.68 0.00 0.52 0.00 0.00 34.95 33.27 3g6e s ARG 190 CO 0.10 -0.37 1.90 0.78 0.02 0.00 0.00 175.30 177.72 3g6e h GLY 191 N 2.70 0.45 2.00 -3.53 0.00 -1.97 -1.33 103.07 101.40 3g6e h GLY 191 Ca -0.49 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 46.58 3g6e h GLY 191 CO 0.63 0.25 0.00 -2.08 0.00 0.00 0.00 176.54 175.33 3g6e h VAL 192 N 0.40 0.00 -0.03 4.60 2.07 -1.92 -0.06 116.25 121.31 3g6e h VAL 192 Ca 0.09 -0.17 0.00 0.00 0.82 0.00 0.00 66.70 67.43 3g6e h VAL 192 Cb 0.33 0.90 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 3g6e h VAL 192 CO 0.01 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.59 3g6e n ALA 193 N -1.87 2.51 -2.03 1.67 0.00 -0.50 -4.60 120.51 115.69 3g6e n ALA 193 Ca -0.00 -0.67 -0.21 0.00 0.00 0.00 0.00 53.44 52.56 3g6e n ALA 193 Cb 0.16 -0.84 0.09 0.00 0.00 0.00 0.00 19.45 18.85 3g6e n ALA 193 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 3g6e s MET 194 N -2.02 2.00 0.51 0.00 -1.94 -0.04 -4.99 119.30 112.83 3g6e s MET 194 Ca 0.29 -1.55 -0.05 0.00 -1.71 0.00 0.00 55.69 52.67 3g6e s MET 194 Cb 0.20 -2.53 -0.02 0.00 2.01 0.00 0.00 34.83 34.49 3g6e s MET 194 CO 0.31 -1.15 0.81 -0.80 -0.01 0.00 0.00 175.02 174.19 3g6e s ASN 195 N -4.74 6.01 0.43 3.03 0.01 -1.26 -1.65 114.94 116.77 3g6e s ASN 195 Ca 0.64 0.81 0.10 0.00 -0.71 0.00 0.00 52.86 53.70 3g6e s ASN 195 Cb -0.05 -2.02 0.93 0.00 0.41 0.00 0.00 41.25 40.53 3g6e s ASN 195 CO 0.42 -0.74 2.04 0.00 -1.51 0.00 0.00 177.10 177.31 3g6e h ALA 196 N 0.11 1.72 0.00 0.60 0.00 -1.80 -2.22 119.26 117.67 3g6e h ALA 196 Ca -0.46 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 54.34 3g6e h ALA 196 Cb 1.22 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 3g6e h ALA 196 CO 0.61 0.23 -0.20 -0.24 0.00 0.00 0.00 179.25 179.65 3g6e h VAL 197 N 0.35 0.99 0.00 0.00 3.04 -1.94 -3.17 116.25 115.52 3g6e h VAL 197 Ca 0.09 -0.71 -0.18 0.00 -1.01 0.00 0.00 66.70 64.89 3g6e h VAL 197 Cb 0.06 1.40 -0.03 0.00 -2.01 0.00 0.00 31.29 30.71 3g6e h VAL 197 CO -0.01 0.19 -1.58 0.47 -1.01 0.00 0.00 177.57 175.63 3g6e n ASP 198 N -4.08 0.69 -3.59 3.17 8.00 -0.85 -0.43 116.55 119.45 3g6e n ASP 198 Ca -0.02 0.30 -0.16 0.00 0.71 0.00 0.00 54.79 55.62 3g6e n ASP 198 Cb 0.27 0.41 -0.07 0.00 -0.02 0.00 0.00 41.12 41.71 3g6e n ASP 198 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 3g6e s HIS 199 N -2.92 -0.57 0.57 1.24 2.46 -1.12 -4.33 115.29 110.62 3g6e s HIS 199 Ca -0.04 1.07 0.26 0.00 0.47 0.00 0.00 55.06 56.82 3g6e s HIS 199 Cb 0.09 0.31 1.58 0.00 -0.13 0.00 0.00 32.58 34.43 3g6e s HIS 199 CO 0.82 -0.51 2.11 -1.35 -2.47 0.00 0.00 174.74 173.34 3g6e h PRO 200 N 3.59 0.00 -0.23 2.88 0.11 -1.84 -0.46 132.00 136.06 3g6e h PRO 200 Ca -0.28 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.83 3g6e h PRO 200 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3g6e h PRO 200 CO 0.34 0.00 0.00 1.19 -0.21 0.00 0.00 178.00 179.32 3g6e n PHE 201 N -4.01 0.28 -1.90 0.65 0.99 -1.26 -4.35 117.46 107.85 3g6e n PHE 201 Ca 0.01 -0.14 -0.31 0.00 -0.00 0.00 0.00 57.45 57.02 3g6e n PHE 201 Cb 0.30 0.00 0.02 0.00 -1.00 0.00 0.00 39.48 38.80 3g6e n PHE 201 CO 0.00 0.00 0.00 0.20 -0.00 0.00 0.00 176.76 176.96 3g6e s GLY 202 N -1.64 1.65 0.00 1.37 0.00 -0.18 -3.98 107.32 104.53 3g6e s GLY 202 Ca 0.35 -0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.91 3g6e s GLY 202 CO 0.30 0.13 0.00 0.61 0.00 0.00 0.00 173.10 174.14 3g6e n GLY 203 N -2.79 -1.31 0.00 0.20 0.00 -0.66 -3.89 105.19 96.74 3g6e n GLY 203 Ca 0.06 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.98 3g6e n GLY 203 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3g6e n GLY 204 N 0.00 -1.97 0.16 -0.02 0.00 -1.26 -4.72 105.19 97.38 3g6e n GLY 204 Ca 0.00 -1.51 0.07 0.00 0.00 0.00 0.00 46.02 44.58 3g6e n GLY 204 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3g6e h GLY 205 N 0.00 0.00 -2.33 -0.02 0.00 -2.00 -3.46 103.07 95.26 3g6e h GLY 205 Ca 0.00 0.00 -0.37 0.00 0.00 0.00 0.00 47.33 46.96 3g6e h GLY 205 CO 0.00 0.00 -0.62 1.09 0.00 0.00 0.00 176.54 177.01 3g6e s ARG 206 N -3.12 1.41 -0.43 4.80 1.70 -1.26 -5.13 118.95 116.92 3g6e s ARG 206 Ca 0.04 -1.76 -0.20 0.00 -0.47 0.00 0.00 55.73 53.34 3g6e s ARG 206 Cb 0.07 -0.40 0.02 0.00 -0.57 0.00 0.00 34.95 34.07 3g6e s ARG 206 CO 0.73 -0.24 0.62 -0.65 -1.08 0.00 0.00 175.30 174.68 3g6e s GLN 207 N -3.98 3.30 0.03 3.89 -0.21 -1.26 -4.97 119.66 116.45 3g6e s GLN 207 Ca 0.35 -0.38 -0.28 0.00 0.02 0.00 0.00 55.36 55.08 3g6e s GLN 207 Cb 0.08 -3.94 0.08 0.00 1.00 0.00 0.00 33.01 30.22 3g6e s GLN 207 CO 0.12 -0.96 0.69 -3.38 -2.12 0.00 0.00 175.29 169.64 3g6e s HIS 208 N 2.73 -0.56 0.70 0.91 -3.43 -1.26 -5.09 115.29 109.28 3g6e s HIS 208 Ca 0.21 0.69 -0.11 0.00 -0.80 0.00 0.00 55.06 55.06 3g6e s HIS 208 Cb -0.14 0.48 0.01 0.00 -1.43 0.00 0.00 32.58 31.50 3g6e s HIS 208 CO 0.18 -0.68 1.06 -1.25 -2.00 0.00 0.00 174.74 172.06 3g6e s PRO 209 N -2.36 2.88 0.00 -0.38 0.04 -1.26 -4.88 135.00 129.04 3g6e s PRO 209 Ca -0.04 1.01 0.00 0.00 0.04 0.00 0.00 61.00 62.01 3g6e s PRO 209 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.55 3g6e s PRO 209 CO -0.01 -1.15 0.60 0.41 0.04 0.00 0.00 177.00 176.88 3g6e n GLY 210 N -1.79 -1.80 0.21 0.56 0.00 -1.26 -4.93 105.19 96.17 3g6e n GLY 210 Ca 0.08 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.09 3g6e n GLY 210 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g6e n LYS 211 N -1.52 1.00 -2.10 1.61 5.02 -1.26 -5.08 118.16 115.83 3g6e n LYS 211 Ca 0.00 -0.17 -0.33 0.00 -2.02 0.00 0.00 58.31 55.79 3g6e n LYS 211 Cb 0.00 -0.01 0.01 0.00 -0.02 0.00 0.00 35.03 35.01 3g6e n LYS 211 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 3g6e s PRO 212 N -2.14 3.34 0.39 1.97 0.04 -1.26 -4.99 135.00 132.35 3g6e s PRO 212 Ca 0.03 1.26 0.19 0.00 0.04 0.00 0.00 61.00 62.52 3g6e s PRO 212 Cb -0.00 -2.03 0.76 0.00 0.04 0.00 0.00 34.50 33.27 3g6e s PRO 212 CO 0.02 -0.80 1.78 0.87 0.04 0.00 0.00 177.00 178.91 3g6e h LYS 213 N 0.59 0.00 -6.27 4.56 1.57 -1.95 -3.43 116.57 111.64 3g6e h LYS 213 Ca -0.47 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.77 3g6e h LYS 213 Cb 1.22 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.48 3g6e h LYS 213 CO 0.57 0.36 1.16 -1.12 -0.57 0.00 0.00 179.45 179.84 3g6e s SER 214 N -6.49 5.91 0.07 0.86 0.01 -1.26 -0.99 113.70 111.81 3g6e s SER 214 Ca -0.01 0.06 -0.07 0.00 1.31 0.00 0.00 55.95 57.24 3g6e s SER 214 Cb 0.12 -2.55 -0.05 0.00 0.21 0.00 0.00 66.02 63.75 3g6e s SER 214 CO 0.68 -1.93 0.35 -0.51 0.41 0.00 0.00 173.24 172.24 3g6e s ILE 215 N 6.76 5.19 0.64 1.44 1.10 -0.68 -4.92 121.20 130.71 3g6e s ILE 215 Ca 0.51 0.24 -0.17 0.00 -0.51 0.00 0.00 60.65 60.72 3g6e s ILE 215 Cb -0.10 -3.61 -0.01 0.00 0.15 0.00 0.00 42.46 38.88 3g6e s ILE 215 CO 0.20 0.25 1.16 -0.55 -2.11 0.00 0.00 174.94 173.90 3g6e s SER 216 N -1.92 5.03 0.33 4.50 0.15 -1.26 -0.75 113.70 119.77 3g6e s SER 216 Ca 0.33 2.22 0.04 0.00 0.70 0.00 0.00 55.95 59.24 3g6e s SER 216 Cb -0.13 -2.58 0.56 0.00 -1.71 0.00 0.00 66.02 62.16 3g6e s SER 216 CO 0.19 -1.69 1.84 0.03 1.20 0.00 0.00 173.24 174.81 3g6e h ARG 217 N 0.40 0.50 0.00 5.44 2.47 -1.96 -2.76 114.38 118.48 3g6e h ARG 217 Ca -0.49 -0.12 0.00 0.00 -1.26 0.00 0.00 59.98 58.11 3g6e h ARG 217 Cb 1.27 -0.06 0.00 0.00 -1.65 0.00 0.00 29.97 29.53 3g6e h ARG 217 CO 0.54 0.58 0.00 0.09 0.56 0.00 0.00 179.97 181.74 3g6e n ASN 218 N -4.24 0.00 -4.76 7.04 3.02 -1.26 -4.86 115.26 110.20 3g6e n ASN 218 Ca 0.01 -0.54 -0.41 0.00 -0.03 0.00 0.00 54.58 53.61 3g6e n ASN 218 Cb 0.28 -0.09 -0.02 0.00 -0.61 0.00 0.00 39.78 39.34 3g6e n ASN 218 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g6e s ALA 219 N -2.18 3.57 0.63 5.41 0.00 -1.04 -5.01 121.76 123.14 3g6e s ALA 219 Ca 0.32 1.35 -0.14 0.00 0.00 0.00 0.00 51.96 53.49 3g6e s ALA 219 Cb 0.17 -3.54 -0.02 0.00 0.00 0.00 0.00 23.12 19.72 3g6e s ALA 219 CO 0.31 -0.76 1.05 -1.25 0.00 0.00 0.00 175.76 175.11 3g6e s PRO 220 N -1.16 3.22 0.02 0.00 0.04 -1.26 -4.67 135.00 131.19 3g6e s PRO 220 Ca 0.55 1.09 -0.30 0.00 0.04 0.00 0.00 61.00 62.37 3g6e s PRO 220 Cb -0.42 -2.02 -0.07 0.00 0.04 0.00 0.00 34.50 32.03 3g6e s PRO 220 CO 0.50 -0.88 1.56 -1.25 0.04 0.00 0.00 177.00 176.97 3g6e s PRO 221 N -4.45 4.23 0.00 0.56 0.04 -1.26 -1.41 135.00 132.71 3g6e s PRO 221 Ca 0.61 2.17 0.00 0.00 0.04 0.00 0.00 61.00 63.82 3g6e s PRO 221 Cb -0.15 -3.64 0.00 0.00 0.04 0.00 0.00 34.50 30.75 3g6e s PRO 221 CO 0.43 -0.69 0.00 0.41 0.04 0.00 0.00 177.00 177.19 3g6e n GLY 222 N 3.88 1.69 0.00 0.56 0.00 -1.26 -4.85 105.19 105.20 3g6e n GLY 222 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 3g6e n GLY 222 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3g6e n ARG 223 N 0.00 1.52 -2.47 1.61 0.63 -0.50 -4.70 116.66 112.75 3g6e n ARG 223 Ca 0.00 0.00 -0.39 0.00 -0.92 0.00 0.00 57.85 56.54 3g6e n ARG 223 Cb 0.00 -0.93 -0.03 0.00 0.45 0.00 0.00 32.46 31.95 3g6e n ARG 223 CO 0.00 0.00 0.00 0.21 -2.51 0.00 0.00 177.63 175.33 3g6e s LYS 224 N -1.77 3.44 0.18 -0.14 2.20 -0.90 -4.89 119.74 117.86 3g6e s LYS 224 Ca 0.00 -1.10 -0.00 0.00 -0.36 0.00 0.00 55.97 54.51 3g6e s LYS 224 Cb 0.00 -5.33 -0.04 0.00 -1.51 0.00 0.00 37.83 30.95 3g6e s LYS 224 CO 0.00 -2.45 0.08 0.14 -0.36 0.00 0.00 175.35 172.76 3g6e s VAL 225 N 5.87 0.19 0.00 4.02 -7.23 -1.26 -5.01 120.40 116.98 3g6e s VAL 225 Ca 0.51 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.72 3g6e s VAL 225 Cb -0.01 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.64 3g6e s VAL 225 CO -0.06 -0.24 0.00 0.61 -0.31 0.00 0.00 175.10 175.11 3g6e n GLY 226 N -0.22 0.38 3.42 2.32 0.00 -1.26 -4.51 105.19 105.32 3g6e n GLY 226 Ca -0.02 -0.78 -0.44 0.00 0.00 0.00 0.00 46.02 44.77 3g6e n GLY 226 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3g6e s ASP 227 N -4.00 6.48 -0.19 1.61 1.01 -0.16 -4.97 116.67 116.46 3g6e s ASP 227 Ca 0.00 -1.82 -0.29 0.00 0.71 0.00 0.00 52.55 51.15 3g6e s ASP 227 Cb 0.00 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 3g6e s ASP 227 CO 0.00 -1.08 1.94 -0.63 0.21 0.00 0.00 175.17 175.61 3g6e s ILE 228 N 2.62 3.27 -1.70 0.77 1.01 -1.26 -1.69 121.20 124.21 3g6e s ILE 228 Ca 0.25 0.30 -0.17 0.00 0.00 0.00 0.00 60.65 61.03 3g6e s ILE 228 Cb -0.11 -3.30 0.15 0.00 0.01 0.00 0.00 42.46 39.21 3g6e s ILE 228 CO -0.03 -0.15 0.66 0.00 0.00 0.00 0.00 174.94 175.42 3g6e n ALA 229 N 9.77 -1.38 -1.70 9.38 0.00 0.07 -4.87 120.51 131.79 3g6e n ALA 229 Ca 0.24 -0.11 -0.43 0.00 0.00 0.00 0.00 53.44 53.15 3g6e n ALA 229 Cb 0.45 -2.89 -0.03 0.00 0.00 0.00 0.00 19.45 16.97 3g6e n ALA 229 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 3g6e n SER 230 N -2.66 3.98 0.14 0.00 3.41 -1.24 -4.89 113.62 112.37 3g6e n SER 230 Ca 0.02 1.01 -0.00 0.00 -0.26 0.00 0.00 58.87 59.63 3g6e n SER 230 Cb 0.52 -1.54 0.19 0.00 -0.26 0.00 0.00 64.21 63.11 3g6e n SER 230 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 3g6e h LYS 231 N 7.99 0.00 -2.49 4.33 1.57 -1.96 -3.47 116.57 122.54 3g6e h LYS 231 Ca -0.45 0.00 0.14 0.00 -1.87 0.00 0.00 60.65 58.47 3g6e h LYS 231 Cb 1.22 0.00 -0.08 0.00 0.08 0.00 0.00 32.23 33.45 3g6e h LYS 231 CO 0.95 0.59 0.43 -0.98 -0.57 0.00 0.00 179.45 179.86 3g6e s ARG 232 N -3.59 1.28 0.18 3.15 1.70 -1.26 -5.20 118.95 115.20 3g6e s ARG 232 Ca -0.01 -0.68 -0.00 0.00 -0.47 0.00 0.00 55.73 54.57 3g6e s ARG 232 Cb 0.12 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.91 3g6e s ARG 232 CO 0.75 -0.58 0.08 0.95 -1.08 0.00 0.00 175.30 175.42 3g6e s THR 233 N -3.41 0.22 0.00 4.99 -4.23 -1.26 -5.14 115.64 106.81 3g6e s THR 233 Ca 0.11 -1.96 0.00 0.00 -1.18 0.00 0.00 61.69 58.66 3g6e s THR 233 Cb -0.02 -2.28 0.00 0.00 1.34 0.00 0.00 72.50 71.54 3g6e s THR 233 CO 0.01 -0.26 0.00 0.61 -0.54 0.00 0.00 174.62 174.45 3g6e n GLY 234 N -0.22 -2.51 0.28 3.99 0.00 -1.26 -4.85 105.19 100.61 3g6e n GLY 234 Ca -0.03 -1.62 -0.20 0.00 0.00 0.00 0.00 46.02 44.17 3g6e n GLY 234 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6e n ARG 235 N -0.68 0.46 -1.54 1.61 1.74 -1.26 -5.06 116.66 111.94 3g6e n ARG 235 Ca 0.00 0.18 -0.30 0.00 -0.77 0.00 0.00 57.85 56.96 3g6e n ARG 235 Cb 0.00 -1.30 0.10 0.00 -1.02 0.00 0.00 32.46 30.25 3g6e n ARG 235 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3g6e s GLY 236 N -5.54 1.61 0.00 -0.13 0.00 -1.26 -5.29 107.32 96.71 3g6e s GLY 236 Ca -0.29 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3g6e s GLY 236 CO 0.40 0.19 0.00 0.61 0.00 0.00 0.00 173.10 174.30