#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c0f s GLY 2 N 0.00 0.21 -0.54 3.17 0.00 -1.26 -5.11 107.32 103.79 1c0f s GLY 2 Ca 0.00 -0.53 0.07 0.00 0.00 0.00 0.00 44.72 44.26 1c0f s GLY 2 CO 0.00 0.46 0.86 1.44 0.00 0.00 0.00 173.10 175.86 1c0f n SER 3 N -1.19 3.49 -4.57 1.64 7.64 -1.26 -5.06 113.62 114.31 1c0f n SER 3 Ca -0.06 -3.48 -0.37 0.00 1.01 0.00 0.00 58.87 55.97 1c0f n SER 3 Cb 0.60 -0.59 -0.11 0.00 -1.01 0.00 0.00 64.21 63.10 1c0f n SER 3 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1c0f s VAL 4 N -3.65 5.04 0.18 0.44 1.01 -1.26 -5.05 120.40 117.12 1c0f s VAL 4 Ca 0.45 0.08 -0.32 0.00 0.00 0.00 0.00 61.98 62.19 1c0f s VAL 4 Cb 0.27 -3.37 -0.11 0.00 0.00 0.00 0.00 36.38 33.16 1c0f s VAL 4 CO -0.11 0.31 1.75 -0.69 0.00 0.00 0.00 175.10 176.35 1c0f s VAL 5 N 1.49 2.18 -1.18 2.92 1.01 -1.26 -4.88 120.40 120.67 1c0f s VAL 5 Ca 0.07 0.04 0.12 0.00 0.00 0.00 0.00 61.98 62.21 1c0f s VAL 5 Cb -0.15 -3.02 0.30 0.00 0.00 0.00 0.00 36.38 33.50 1c0f s VAL 5 CO 0.07 0.00 1.21 -0.62 0.00 0.00 0.00 175.10 175.76 1c0f n GLU 6 N 4.43 2.41 -1.68 2.72 1.02 -1.26 -4.93 120.64 123.35 1c0f n GLU 6 Ca 0.16 -1.95 -0.43 0.00 -0.02 0.00 0.00 57.16 54.92 1c0f n GLU 6 Cb 0.36 -1.30 -0.03 0.00 -0.02 0.00 0.00 31.44 30.45 1c0f n GLU 6 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 1c0f n HIS 7 N 0.68 2.56 -0.38 -0.32 -0.00 -1.26 -4.86 115.22 111.63 1c0f n HIS 7 Ca 0.12 -0.12 0.33 0.00 0.46 0.00 0.00 57.72 58.51 1c0f n HIS 7 Cb 0.42 -2.71 0.65 0.00 -0.12 0.00 0.00 29.99 28.23 1c0f n HIS 7 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1c0f h PRO 8 N 8.56 0.15 0.00 1.57 0.11 -1.99 -0.36 132.00 140.05 1c0f h PRO 8 Ca -0.47 -0.01 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 1c0f h PRO 8 Cb 1.23 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1c0f h PRO 8 CO 0.94 0.10 -0.39 0.93 -0.21 0.00 0.00 178.00 179.37 1c0f h GLU 9 N 0.16 0.00 -0.40 1.05 4.39 -1.92 -2.64 114.58 115.22 1c0f h GLU 9 Ca 0.66 0.00 -0.13 0.00 0.34 0.00 0.00 59.36 60.23 1c0f h GLU 9 Cb 2.18 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 30.82 1c0f h GLU 9 CO -0.20 0.39 -0.29 0.74 -1.16 0.00 0.00 179.01 178.50 1c0f h PHE 10 N 0.00 0.99 -0.46 4.33 -1.00 -1.43 -2.03 116.94 117.34 1c0f h PHE 10 Ca -0.00 -0.26 -0.03 0.00 2.81 0.00 0.00 57.97 60.49 1c0f h PHE 10 Cb 0.93 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 40.24 1c0f h PHE 10 CO 0.00 1.03 0.16 -0.07 -1.61 0.00 0.00 178.31 177.82 1c0f h LEU 11 N 0.72 0.60 -0.19 1.54 3.38 -1.45 -2.08 115.31 117.84 1c0f h LEU 11 Ca 0.08 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1c0f h LEU 11 Cb 0.84 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.43 1c0f h LEU 11 CO 0.07 0.57 0.00 0.11 0.09 0.00 0.00 178.44 179.28 1c0f h LYS 12 N 0.65 0.00 -6.79 1.13 1.57 -1.26 -3.46 116.57 108.41 1c0f h LYS 12 Ca 0.16 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 58.41 1c0f h LYS 12 Cb 0.17 0.00 0.06 0.00 0.08 0.00 0.00 32.23 32.55 1c0f h LYS 12 CO -0.01 0.00 0.73 0.00 -0.57 0.00 0.00 179.45 179.59 1c0f s ALA 13 N -3.24 3.59 -2.16 3.86 0.00 -0.78 -3.77 121.76 119.26 1c0f s ALA 13 Ca 0.07 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1c0f s ALA 13 Cb 0.07 -3.54 0.00 0.00 0.00 0.00 0.00 23.12 19.66 1c0f s ALA 13 CO 0.63 -0.73 0.00 0.41 0.00 0.00 0.00 175.76 176.07 1c0f n GLY 14 N 1.73 1.70 0.18 0.00 0.00 -1.26 -4.87 105.19 102.68 1c0f n GLY 14 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 46.02 46.02 1c0f n GLY 14 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1c0f h LYS 15 N 0.00 0.24 -3.85 1.61 1.79 -1.89 -3.46 116.57 111.01 1c0f h LYS 15 Ca -0.43 -0.14 -0.11 0.00 -2.18 0.00 0.00 60.65 57.79 1c0f h LYS 15 Cb 1.36 0.01 -0.16 0.00 -1.58 0.00 0.00 32.23 31.86 1c0f h LYS 15 CO 0.62 0.70 -0.47 -1.83 -1.08 0.00 0.00 179.45 177.38 1c0f s GLU 16 N -3.95 0.71 0.44 3.15 -1.05 -1.26 -5.09 118.70 111.65 1c0f s GLU 16 Ca -0.04 -0.91 -0.24 0.00 -0.15 0.00 0.00 54.97 53.63 1c0f s GLU 16 Cb 0.13 0.28 -0.10 0.00 -0.44 0.00 0.00 34.13 34.00 1c0f s GLU 16 CO 0.79 -0.20 1.08 -2.30 0.95 0.00 0.00 175.26 175.58 1c0f n PRO 17 N 0.30 1.47 -0.37 -4.83 -0.02 -1.26 -4.72 135.00 125.56 1c0f n PRO 17 Ca -0.16 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.84 1c0f n PRO 17 Cb 0.61 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.94 1c0f n PRO 17 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c0f n GLY 18 N 1.09 0.80 3.22 -1.23 0.00 0.49 -4.94 105.19 104.62 1c0f n GLY 18 Ca 0.09 -1.84 -0.32 0.00 0.00 0.00 0.00 46.02 43.96 1c0f n GLY 18 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c0f s LEU 19 N 0.00 2.08 -0.04 0.99 2.96 -1.26 -0.52 118.68 122.90 1c0f s LEU 19 Ca 0.00 -0.56 0.05 0.00 -0.22 0.00 0.00 54.13 53.41 1c0f s LEU 19 Cb 0.00 -1.40 -0.01 0.00 0.50 0.00 0.00 46.19 45.28 1c0f s LEU 19 CO 0.00 0.16 -0.20 -1.10 -1.32 0.00 0.00 176.35 173.89 1c0f s GLN 20 N 0.34 1.90 -0.03 1.98 -0.21 -0.05 -4.99 119.66 118.60 1c0f s GLN 20 Ca -0.19 -0.72 0.03 0.00 0.02 0.00 0.00 55.36 54.50 1c0f s GLN 20 Cb -0.18 -1.71 0.00 0.00 1.00 0.00 0.00 33.01 32.13 1c0f s GLN 20 CO 0.09 0.35 -0.10 0.42 -2.12 0.00 0.00 175.29 173.93 1c0f s ILE 21 N -0.21 0.89 0.11 1.08 1.01 -1.26 -0.92 121.20 121.90 1c0f s ILE 21 Ca 0.01 -0.41 0.06 0.00 0.00 0.00 0.00 60.65 60.31 1c0f s ILE 21 Cb -0.11 -0.79 -0.04 0.00 0.01 0.00 0.00 42.46 41.54 1c0f s ILE 21 CO 0.01 0.28 -0.14 0.26 0.00 0.00 0.00 174.94 175.35 1c0f s TRP 22 N 0.23 1.35 -0.05 3.97 0.51 -0.30 -0.74 118.94 123.90 1c0f s TRP 22 Ca -0.04 -0.53 0.04 0.00 -2.12 0.00 0.00 56.10 53.44 1c0f s TRP 22 Cb -0.10 -0.72 -0.03 0.00 -0.81 0.00 0.00 33.47 31.82 1c0f s TRP 22 CO 0.01 0.11 -0.14 0.50 -0.51 0.00 0.00 176.95 176.92 1c0f s ARG 23 N -2.40 2.52 -0.10 4.98 3.52 0.14 -1.04 118.95 126.57 1c0f s ARG 23 Ca 0.06 -0.69 -0.30 0.00 -0.13 0.00 0.00 55.73 54.67 1c0f s ARG 23 Cb -0.06 -2.38 -0.03 0.00 -1.56 0.00 0.00 34.95 30.91 1c0f s ARG 23 CO 0.03 0.62 1.37 0.08 -0.81 0.00 0.00 175.30 176.58 1c0f s VAL 24 N -0.71 4.03 -0.27 7.11 1.01 -0.90 -0.86 120.40 129.80 1c0f s VAL 24 Ca 0.11 1.28 -0.01 0.00 0.00 0.00 0.00 61.98 63.36 1c0f s VAL 24 Cb -0.11 -3.83 0.08 0.00 0.00 0.00 0.00 36.38 32.53 1c0f s VAL 24 CO 0.01 -0.09 0.06 -1.61 0.00 0.00 0.00 175.10 173.47 1c0f s GLU 25 N 3.34 0.89 -1.21 2.72 2.02 -0.36 -4.71 118.70 121.38 1c0f s GLU 25 Ca 0.61 -0.96 -0.14 0.00 0.02 0.00 0.00 54.97 54.49 1c0f s GLU 25 Cb -0.26 -2.18 -0.01 0.00 0.10 0.00 0.00 34.13 31.78 1c0f s GLU 25 CO 0.21 -0.85 0.71 1.63 0.02 0.00 0.00 175.26 176.98 1c0f n LYS 26 N 4.83 -2.02 -1.19 1.61 5.02 -1.26 -2.05 118.16 123.10 1c0f n LYS 26 Ca -0.05 0.47 -0.07 0.00 -2.02 0.00 0.00 58.31 56.64 1c0f n LYS 26 Cb 0.43 -4.33 -0.03 0.00 -0.02 0.00 0.00 35.03 31.08 1c0f n LYS 26 CO 0.00 0.00 0.00 1.19 -0.52 0.00 0.00 177.40 178.07 1c0f n PHE 27 N -4.22 0.00 -4.35 2.13 0.99 -1.26 -4.93 117.46 105.82 1c0f n PHE 27 Ca -0.16 0.00 -0.21 0.00 -0.00 0.00 0.00 57.45 57.09 1c0f n PHE 27 Cb 0.62 -1.64 -0.11 0.00 -1.00 0.00 0.00 39.48 37.36 1c0f n PHE 27 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.76 177.10 1c0f s ASP 28 N -2.57 2.70 -0.34 4.37 2.15 -0.87 -5.12 116.67 116.99 1c0f s ASP 28 Ca 0.00 -0.94 -0.15 0.00 0.43 0.00 0.00 52.55 51.89 1c0f s ASP 28 Cb 0.00 -0.16 -0.01 0.00 -0.30 0.00 0.00 42.92 42.45 1c0f s ASP 28 CO 0.00 -0.08 0.36 -0.22 -0.17 0.00 0.00 175.17 175.06 1c0f s LEU 29 N -2.98 4.46 -0.07 -1.34 2.96 -1.26 -1.23 118.68 119.21 1c0f s LEU 29 Ca 0.19 -0.25 0.04 0.00 -0.22 0.00 0.00 54.13 53.90 1c0f s LEU 29 Cb -0.04 -2.33 -0.00 0.00 0.50 0.00 0.00 46.19 44.32 1c0f s LEU 29 CO 0.07 -0.34 -0.21 -0.69 -1.32 0.00 0.00 176.35 173.86 1c0f s VAL 30 N 2.01 1.79 0.43 1.68 1.01 -0.04 -4.94 120.40 122.34 1c0f s VAL 30 Ca 0.12 -0.89 -0.26 0.00 0.00 0.00 0.00 61.98 60.95 1c0f s VAL 30 Cb -0.17 -1.54 -0.09 0.00 0.00 0.00 0.00 36.38 34.59 1c0f s VAL 30 CO 0.12 0.50 1.39 -2.16 0.00 0.00 0.00 175.10 174.95 1c0f s PRO 31 N 0.17 3.81 0.00 2.72 0.04 -1.26 0.28 135.00 140.77 1c0f s PRO 31 Ca -0.10 2.35 -0.22 0.00 0.04 0.00 0.00 61.00 63.07 1c0f s PRO 31 Cb -0.15 -2.71 -0.05 0.00 0.04 0.00 0.00 34.50 31.62 1c0f s PRO 31 CO 0.05 -0.69 0.64 0.08 0.04 0.00 0.00 177.00 177.13 1c0f s VAL 32 N -1.21 4.87 0.05 -0.36 1.01 0.08 -4.74 120.40 120.10 1c0f s VAL 32 Ca 0.59 1.35 -0.33 0.00 0.00 0.00 0.00 61.98 63.60 1c0f s VAL 32 Cb -0.42 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 31.86 1c0f s VAL 32 CO 0.54 0.39 1.82 -2.65 0.00 0.00 0.00 175.10 175.21 1c0f n PRO 33 N 2.81 2.48 0.15 2.72 -0.02 -1.26 -4.83 135.00 137.04 1c0f n PRO 33 Ca -0.05 0.90 0.18 0.00 -2.02 0.00 0.00 63.50 62.52 1c0f n PRO 33 Cb 0.51 -2.77 0.78 0.00 -0.02 0.00 0.00 33.50 32.00 1c0f n PRO 33 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 1c0f h THR 34 N 4.87 0.46 0.00 3.45 1.35 -1.95 0.40 112.91 121.48 1c0f h THR 34 Ca -0.47 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.39 1c0f h THR 34 Cb 1.25 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 1c0f h THR 34 CO 0.94 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 176.21 1c0f n LEU 36 N -2.00 3.38 -4.68 0.00 4.32 0.14 -4.98 117.00 113.18 1c0f n LEU 36 Ca 0.03 -1.60 -0.45 0.00 -0.02 0.00 0.00 56.01 53.96 1c0f n LEU 36 Cb 0.22 -0.27 -0.04 0.00 -1.62 0.00 0.00 43.42 41.71 1c0f n LEU 36 CO 0.18 0.76 1.23 -1.22 -1.22 0.00 0.00 177.39 177.12 1c0f n TYR 37 N 1.35 2.37 0.00 -1.77 4.02 -1.09 -2.25 117.16 119.78 1c0f n TYR 37 Ca 0.18 0.22 0.00 0.00 -0.01 0.00 0.00 57.90 58.29 1c0f n TYR 37 Cb 0.57 -2.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.32 1c0f n TYR 37 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1c0f n GLY 38 N 3.53 1.37 3.37 2.72 0.00 -1.26 -5.02 105.19 109.90 1c0f n GLY 38 Ca 0.17 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.74 1c0f n GLY 38 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c0f s ASP 39 N -1.66 6.15 -0.23 1.61 1.01 -0.96 -0.02 116.67 122.57 1c0f s ASP 39 Ca 0.00 -1.44 -0.09 0.00 0.71 0.00 0.00 52.55 51.74 1c0f s ASP 39 Cb 0.00 -2.19 -0.04 0.00 1.01 0.00 0.00 42.92 41.70 1c0f s ASP 39 CO 0.00 -0.69 0.12 -0.36 0.21 0.00 0.00 175.17 174.44 1c0f s PHE 40 N 1.63 3.22 -0.17 4.23 0.40 -0.04 -4.95 117.98 122.30 1c0f s PHE 40 Ca 0.04 0.01 -0.29 0.00 -0.60 0.00 0.00 56.93 56.09 1c0f s PHE 40 Cb -0.26 -2.23 -0.03 0.00 0.51 0.00 0.00 43.02 41.01 1c0f s PHE 40 CO 0.06 -0.05 1.62 -0.06 0.70 0.00 0.00 175.22 177.49 1c0f s PHE 41 N 1.11 2.09 -0.64 0.36 2.99 -1.25 -0.78 117.98 121.86 1c0f s PHE 41 Ca 0.06 0.47 0.21 0.00 0.00 0.00 0.00 56.93 57.66 1c0f s PHE 41 Cb -0.14 -3.93 0.86 0.00 0.00 0.00 0.00 43.02 39.81 1c0f s PHE 41 CO 0.04 -3.17 1.63 0.25 -0.00 0.00 0.00 175.22 173.97 1c0f n THR 42 N 6.10 0.90 0.88 0.64 -2.24 0.26 -1.05 114.28 119.77 1c0f n THR 42 Ca 0.18 0.25 0.06 0.00 -2.27 0.00 0.00 64.05 62.27 1c0f n THR 42 Cb 0.44 -1.13 0.16 0.00 -2.10 0.00 0.00 70.33 67.71 1c0f n THR 42 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c0f n GLY 43 N -0.04 0.65 3.40 3.38 0.00 0.29 -0.62 105.19 112.24 1c0f n GLY 43 Ca 0.02 -0.39 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 1c0f n GLY 43 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1c0f s ASP 44 N -1.02 1.89 0.10 1.61 -0.00 -0.22 -3.59 116.67 115.45 1c0f s ASP 44 Ca 0.24 -1.45 0.10 0.00 -0.00 0.00 0.00 52.55 51.44 1c0f s ASP 44 Cb 0.13 0.16 -0.04 0.00 -0.00 0.00 0.00 42.92 43.17 1c0f s ASP 44 CO 0.17 -0.74 -0.25 0.00 -0.00 0.00 0.00 175.17 174.34 1c0f s ALA 45 N -3.49 2.20 0.20 5.23 0.00 -1.26 -1.36 121.76 123.26 1c0f s ALA 45 Ca 0.35 -1.36 -0.00 0.00 0.00 0.00 0.00 51.96 50.95 1c0f s ALA 45 Cb 0.07 -0.37 -0.04 0.00 0.00 0.00 0.00 23.12 22.78 1c0f s ALA 45 CO 0.15 0.49 0.09 0.71 0.00 0.00 0.00 175.76 177.20 1c0f s TYR 46 N -1.02 1.20 -0.05 0.00 1.51 0.19 -2.11 117.35 117.08 1c0f s TYR 46 Ca 0.12 -1.25 0.01 0.00 -1.01 0.00 0.00 57.07 54.93 1c0f s TYR 46 Cb -0.10 -0.65 0.02 0.00 -0.11 0.00 0.00 41.96 41.12 1c0f s TYR 46 CO 0.05 -0.48 -0.05 0.08 -1.11 0.00 0.00 175.55 174.04 1c0f s VAL 47 N -3.97 0.59 -0.06 0.71 1.01 -0.21 -0.38 120.40 118.10 1c0f s VAL 47 Ca 0.34 -0.14 0.04 0.00 0.00 0.00 0.00 61.98 62.22 1c0f s VAL 47 Cb 0.07 -0.62 -0.00 0.00 0.00 0.00 0.00 36.38 35.83 1c0f s VAL 47 CO 0.09 0.25 -0.19 -0.63 0.00 0.00 0.00 175.10 174.62 1c0f s ILE 48 N 1.03 1.63 -0.20 2.22 1.09 0.19 -1.15 121.20 126.01 1c0f s ILE 48 Ca -0.09 -0.80 0.01 0.00 -1.10 0.00 0.00 60.65 58.67 1c0f s ILE 48 Cb -0.14 -1.41 0.03 0.00 -1.06 0.00 0.00 42.46 39.88 1c0f s ILE 48 CO -0.00 0.46 -0.18 -0.22 -0.10 0.00 0.00 174.94 174.90 1c0f s LEU 49 N 0.19 2.38 -0.37 2.97 2.96 -0.09 0.40 118.68 127.11 1c0f s LEU 49 Ca -0.09 -0.80 -0.15 0.00 -0.22 0.00 0.00 54.13 52.87 1c0f s LEU 49 Cb -0.14 -1.47 -0.00 0.00 0.50 0.00 0.00 46.19 45.07 1c0f s LEU 49 CO 0.04 -0.05 0.35 -0.75 -1.32 0.00 0.00 176.35 174.63 1c0f s LYS 50 N 1.27 3.38 -0.27 1.98 2.47 -0.42 -0.87 119.74 127.27 1c0f s LYS 50 Ca 0.02 -0.60 -0.08 0.00 -1.56 0.00 0.00 55.97 53.75 1c0f s LYS 50 Cb -0.14 -3.86 -0.02 0.00 -1.46 0.00 0.00 37.83 32.34 1c0f s LYS 50 CO -0.11 -0.61 0.11 0.99 0.16 0.00 0.00 175.35 175.89 1c0f s THR 51 N 1.95 4.50 -0.09 3.43 2.01 0.32 -1.92 115.64 125.84 1c0f s THR 51 Ca 0.10 -0.22 -0.00 0.00 0.31 0.00 0.00 61.69 61.87 1c0f s THR 51 Cb -0.17 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1c0f s THR 51 CO 0.12 0.24 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.55 1c0f s VAL 52 N 1.63 3.87 -0.06 3.82 1.01 -0.26 -0.38 120.40 130.03 1c0f s VAL 52 Ca 0.06 -0.41 -0.30 0.00 0.00 0.00 0.00 61.98 61.33 1c0f s VAL 52 Cb -0.16 -2.61 -0.02 0.00 0.00 0.00 0.00 36.38 33.59 1c0f s VAL 52 CO 0.05 0.58 1.05 -1.58 0.00 0.00 0.00 175.10 175.21 1c0f s GLN 53 N -0.63 4.44 -0.07 2.72 2.00 -1.26 -0.46 119.66 126.40 1c0f s GLN 53 Ca 0.10 1.48 -0.02 0.00 -2.00 0.00 0.00 55.36 54.92 1c0f s GLN 53 Cb -0.12 -3.51 -0.03 0.00 0.80 0.00 0.00 33.01 30.15 1c0f s GLN 53 CO 0.02 -0.28 0.02 -0.51 -0.50 0.00 0.00 175.29 174.05 1c0f s LEU 54 N 1.75 3.68 0.24 3.68 1.43 -0.12 -4.93 118.68 124.41 1c0f s LEU 54 Ca 0.51 0.16 0.06 0.00 -1.03 0.00 0.00 54.13 53.84 1c0f s LEU 54 Cb -0.21 -1.91 0.70 0.00 0.03 0.00 0.00 46.19 44.80 1c0f s LEU 54 CO 0.22 0.36 1.12 -1.14 0.23 0.00 0.00 176.35 177.14 1c0f n ARG 55 N 1.95 -0.05 0.05 1.70 0.63 -1.26 0.31 116.66 119.98 1c0f n ARG 55 Ca -0.18 1.04 0.04 0.00 -0.92 0.00 0.00 57.85 57.83 1c0f n ARG 55 Cb 0.54 -1.73 0.20 0.00 0.45 0.00 0.00 32.46 31.92 1c0f n ARG 55 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 1c0f n ASN 56 N -4.85 0.17 0.00 6.15 0.23 -1.26 -4.79 115.26 110.91 1c0f n ASN 56 Ca 0.20 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.83 1c0f n ASN 56 Cb 0.68 -0.60 0.00 0.00 -2.08 0.00 0.00 39.78 37.79 1c0f n ASN 56 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1c0f n GLY 57 N -1.24 3.19 3.94 4.83 0.00 0.15 -5.05 105.19 111.00 1c0f n GLY 57 Ca 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 1c0f n GLY 57 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1c0f s ASN 58 N -1.10 5.90 -0.11 1.61 3.84 -1.24 -4.85 114.94 119.00 1c0f s ASN 58 Ca 0.00 0.50 -0.05 0.00 0.21 0.00 0.00 52.86 53.52 1c0f s ASN 58 Cb 0.00 -1.74 -0.04 0.00 -0.55 0.00 0.00 41.25 38.92 1c0f s ASN 58 CO 0.00 -0.72 0.07 -0.76 -2.79 0.00 0.00 177.10 172.90 1c0f s LEU 59 N -4.65 3.99 -0.04 3.21 1.43 -1.26 -0.94 118.68 120.41 1c0f s LEU 59 Ca 0.48 0.30 -0.15 0.00 -1.03 0.00 0.00 54.13 53.74 1c0f s LEU 59 Cb -0.10 -1.95 -0.05 0.00 0.03 0.00 0.00 46.19 44.12 1c0f s LEU 59 CO 0.40 0.39 0.39 -1.58 0.23 0.00 0.00 176.35 176.18 1c0f s GLN 60 N -0.92 3.98 -0.06 1.70 0.74 0.40 -4.93 119.66 120.57 1c0f s GLN 60 Ca 0.14 0.35 0.04 0.00 0.05 0.00 0.00 55.36 55.94 1c0f s GLN 60 Cb -0.12 -3.27 -0.00 0.00 1.10 0.00 0.00 33.01 30.72 1c0f s GLN 60 CO 0.03 0.58 -0.20 0.71 -0.55 0.00 0.00 175.29 175.86 1c0f s TYR 61 N -0.69 2.03 -0.13 1.67 1.51 -1.26 -1.10 117.35 119.39 1c0f s TYR 61 Ca 0.23 -0.68 -0.00 0.00 -1.01 0.00 0.00 57.07 55.60 1c0f s TYR 61 Cb -0.16 -1.37 0.02 0.00 -0.11 0.00 0.00 41.96 40.35 1c0f s TYR 61 CO 0.11 -0.26 -0.09 -0.51 -1.11 0.00 0.00 175.55 173.69 1c0f s ASP 62 N 0.17 2.36 -0.18 2.29 1.01 -0.81 -1.19 116.67 120.32 1c0f s ASP 62 Ca -0.09 -0.37 -0.06 0.00 0.71 0.00 0.00 52.55 52.74 1c0f s ASP 62 Cb -0.14 -0.94 -0.03 0.00 1.01 0.00 0.00 42.92 42.81 1c0f s ASP 62 CO 0.04 -0.10 0.02 -0.76 0.21 0.00 0.00 175.17 174.58 1c0f s LEU 63 N 1.64 3.51 -0.06 1.23 1.43 0.32 -1.30 118.68 125.45 1c0f s LEU 63 Ca 0.05 -0.05 0.04 0.00 -1.03 0.00 0.00 54.13 53.14 1c0f s LEU 63 Cb -0.13 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.22 1c0f s LEU 63 CO -0.09 0.15 -0.17 -1.00 0.23 0.00 0.00 176.35 175.47 1c0f s HIS 64 N 0.49 1.82 -0.20 0.29 3.76 0.16 0.05 115.29 121.66 1c0f s HIS 64 Ca 0.00 -0.61 -0.03 0.00 -0.15 0.00 0.00 55.06 54.27 1c0f s HIS 64 Cb -0.13 -1.25 -0.01 0.00 1.11 0.00 0.00 32.58 32.30 1c0f s HIS 64 CO 0.02 -0.24 -0.07 1.52 -0.85 0.00 0.00 174.74 175.12 1c0f s TYR 65 N 0.25 2.93 -0.21 1.40 -0.85 -0.38 0.53 117.35 121.01 1c0f s TYR 65 Ca -0.09 -0.87 -0.08 0.00 -0.52 0.00 0.00 57.07 55.50 1c0f s TYR 65 Cb -0.14 -2.04 -0.04 0.00 0.38 0.00 0.00 41.96 40.12 1c0f s TYR 65 CO 0.04 -0.46 0.10 -0.46 -1.52 0.00 0.00 175.55 173.25 1c0f s TRP 66 N 1.18 3.25 -0.29 -3.49 -0.00 0.49 0.28 118.94 120.35 1c0f s TRP 66 Ca 0.02 0.05 -0.04 0.00 -0.00 0.00 0.00 56.10 56.13 1c0f s TRP 66 Cb -0.14 -2.17 0.03 0.00 -0.00 0.00 0.00 33.47 31.19 1c0f s TRP 66 CO -0.02 0.04 0.01 -0.51 -0.00 0.00 0.00 176.95 176.48 1c0f s LEU 67 N 0.81 3.70 0.47 5.86 1.43 0.81 -0.63 118.68 131.12 1c0f s LEU 67 Ca 0.05 -0.99 -0.22 0.00 -1.03 0.00 0.00 54.13 51.95 1c0f s LEU 67 Cb -0.13 -1.76 -0.08 0.00 0.03 0.00 0.00 46.19 44.25 1c0f s LEU 67 CO 0.02 -0.21 1.08 -0.83 0.23 0.00 0.00 176.35 176.64 1c0f s GLY 68 N 1.35 2.63 0.51 -3.19 0.00 -0.47 -1.91 107.32 106.25 1c0f s GLY 68 Ca -0.01 0.72 0.24 0.00 0.00 0.00 0.00 44.72 45.67 1c0f s GLY 68 CO -0.01 1.10 1.98 -0.57 0.00 0.00 0.00 173.10 175.59 1c0f h ASN 69 N 1.83 0.07 -0.33 1.64 -1.24 -1.76 -1.69 115.58 114.10 1c0f h ASN 69 Ca -0.49 0.00 0.00 0.00 0.71 0.00 0.00 56.30 56.52 1c0f h ASN 69 Cb 1.23 -0.01 0.00 0.00 0.73 0.00 0.00 38.32 40.27 1c0f h ASN 69 CO 0.60 0.04 0.00 -0.62 -1.29 0.00 0.00 177.43 176.16 1c0f n GLU 70 N -4.39 2.91 -2.06 6.67 4.71 0.20 -5.00 120.64 123.67 1c0f n GLU 70 Ca 0.11 -2.26 -0.38 0.00 -0.01 0.00 0.00 57.16 54.61 1c0f n GLU 70 Cb 0.61 -1.42 0.01 0.00 -1.01 0.00 0.00 31.44 29.62 1c0f n GLU 70 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 1c0f s SER 72 N -1.08 5.63 0.32 0.00 1.04 -1.26 -4.88 113.70 113.47 1c0f s SER 72 Ca 0.64 1.43 0.05 0.00 0.48 0.00 0.00 55.95 58.56 1c0f s SER 72 Cb -0.35 -2.35 0.69 0.00 0.10 0.00 0.00 66.02 64.11 1c0f s SER 72 CO 0.42 -1.26 1.86 -0.61 0.98 0.00 0.00 173.24 174.63 1c0f h GLN 73 N -0.59 0.82 -0.51 4.02 4.15 -2.00 -1.73 115.11 119.27 1c0f h GLN 73 Ca -0.44 -0.05 -0.04 0.00 0.77 0.00 0.00 58.65 58.89 1c0f h GLN 73 Cb 1.21 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.70 1c0f h GLN 73 CO 0.60 0.54 0.15 0.38 -1.93 0.00 0.00 178.83 178.57 1c0f h ASP 74 N 0.84 0.70 -0.11 -0.69 2.03 -1.98 -0.51 116.42 116.70 1c0f h ASP 74 Ca 0.46 -0.11 -0.06 0.00 -0.73 0.00 0.00 57.03 56.60 1c0f h ASP 74 Cb 0.58 -0.18 -0.00 0.00 -0.83 0.00 0.00 39.33 38.90 1c0f h ASP 74 CO -0.23 0.67 -0.15 -0.33 -1.03 0.00 0.00 179.24 178.18 1c0f h GLU 75 N 0.74 0.30 -0.19 4.15 5.08 -1.70 0.86 114.58 123.82 1c0f h GLU 75 Ca 0.17 -0.17 -0.19 0.00 -1.00 0.00 0.00 59.36 58.16 1c0f h GLU 75 Cb 0.24 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 1c0f h GLU 75 CO -0.01 0.73 -0.65 0.66 -1.00 0.00 0.00 179.01 178.74 1c0f h SER 76 N -0.11 0.82 -0.44 1.42 4.64 -1.39 0.84 113.55 119.33 1c0f h SER 76 Ca 0.01 -0.48 -0.06 0.00 -0.47 0.00 0.00 61.79 60.80 1c0f h SER 76 Cb 0.69 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 62.53 1c0f h SER 76 CO 0.03 1.26 0.06 1.23 -0.87 0.00 0.00 176.83 178.54 1c0f h GLY 77 N 0.82 0.79 1.01 -0.77 0.00 -1.15 -2.36 103.07 101.41 1c0f h GLY 77 Ca -0.02 -0.54 -0.08 0.00 0.00 0.00 0.00 47.33 46.70 1c0f h GLY 77 CO 0.13 0.50 0.02 0.00 0.00 0.00 0.00 176.54 177.19 1c0f h ALA 78 N 0.93 0.68 -0.54 3.60 0.00 -0.62 -2.26 119.26 121.06 1c0f h ALA 78 Ca 0.13 -0.28 0.08 0.00 0.00 0.00 0.00 54.91 54.85 1c0f h ALA 78 Cb 0.40 -0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.94 1c0f h ALA 78 CO 0.01 0.48 0.18 0.00 0.00 0.00 0.00 179.25 179.92 1c0f h ALA 79 N 0.94 0.67 -0.17 0.00 0.00 -0.71 0.10 119.26 120.09 1c0f h ALA 79 Ca 0.15 0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.16 1c0f h ALA 79 Cb 0.50 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1c0f h ALA 79 CO 0.02 -0.22 0.02 0.00 0.00 0.00 0.00 179.25 179.07 1c0f h ALA 80 N 1.38 0.16 -0.18 0.00 0.00 -1.35 -1.26 119.26 118.02 1c0f h ALA 80 Ca 0.27 0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.18 1c0f h ALA 80 Cb 0.32 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1c0f h ALA 80 CO -0.28 -0.42 -0.03 0.82 0.00 0.00 0.00 179.25 179.34 1c0f h ILE 81 N 0.09 1.27 -0.74 0.00 2.04 -1.06 -1.98 117.51 117.14 1c0f h ILE 81 Ca 0.08 -0.95 0.13 0.00 1.00 0.00 0.00 64.86 65.11 1c0f h ILE 81 Cb 0.08 1.54 -0.05 0.00 -0.74 0.00 0.00 36.82 37.66 1c0f h ILE 81 CO -0.12 0.28 0.49 -0.26 0.00 0.00 0.00 178.15 178.55 1c0f h PHE 82 N 0.06 0.56 -0.31 1.37 0.05 -0.68 -0.02 116.94 117.97 1c0f h PHE 82 Ca 0.05 0.02 -0.03 0.00 3.82 0.00 0.00 57.97 61.82 1c0f h PHE 82 Cb 0.44 -0.18 -0.01 0.00 2.00 0.00 0.00 35.95 38.20 1c0f h PHE 82 CO 0.05 0.24 0.07 1.15 -0.18 0.00 0.00 178.31 179.63 1c0f h THR 83 N 0.50 1.22 -0.77 -1.55 2.02 -0.86 0.58 112.91 114.06 1c0f h THR 83 Ca 0.36 -0.76 -0.00 0.00 0.77 0.00 0.00 66.41 66.77 1c0f h THR 83 Cb 0.69 1.13 -0.04 0.00 -1.74 0.00 0.00 68.15 68.19 1c0f h THR 83 CO -0.12 0.25 0.47 0.58 0.37 0.00 0.00 175.52 177.07 1c0f h VAL 84 N 0.34 1.21 -0.53 3.16 2.07 -0.43 -1.45 116.25 120.62 1c0f h VAL 84 Ca 0.10 -0.45 -0.11 0.00 0.82 0.00 0.00 66.70 67.05 1c0f h VAL 84 Cb 0.31 0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 1c0f h VAL 84 CO 0.00 0.22 -0.11 1.56 0.02 0.00 0.00 177.57 179.26 1c0f h GLN 85 N 1.05 1.01 -0.41 1.57 4.20 -0.51 -1.45 115.11 120.56 1c0f h GLN 85 Ca 0.28 -0.38 -0.07 0.00 0.06 0.00 0.00 58.65 58.53 1c0f h GLN 85 Cb -0.05 -0.06 -0.01 0.00 0.30 0.00 0.00 27.48 27.65 1c0f h GLN 85 CO -0.05 1.06 -0.03 -0.07 -0.67 0.00 0.00 178.83 179.07 1c0f h LEU 86 N 0.88 0.73 -0.27 1.46 3.38 -0.69 -1.04 115.31 119.76 1c0f h LEU 86 Ca 0.14 -0.32 0.04 0.00 0.09 0.00 0.00 57.88 57.82 1c0f h LEU 86 Cb 0.68 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 1c0f h LEU 86 CO 0.05 0.88 0.05 -0.78 0.09 0.00 0.00 178.44 178.72 1c0f h ASP 87 N 0.57 -0.00 -0.50 -0.43 1.82 -1.17 0.01 116.42 116.71 1c0f h ASP 87 Ca 0.11 0.04 0.04 0.00 -0.39 0.00 0.00 57.03 56.83 1c0f h ASP 87 Cb 0.52 0.06 -0.04 0.00 0.68 0.00 0.00 39.33 40.55 1c0f h ASP 87 CO 0.03 0.03 0.27 0.44 -1.61 0.00 0.00 179.24 178.40 1c0f h ASP 88 N 0.15 0.40 -0.78 2.28 3.32 -1.04 0.22 116.42 120.97 1c0f h ASP 88 Ca 0.13 0.02 0.01 0.00 0.02 0.00 0.00 57.03 57.21 1c0f h ASP 88 Cb 0.13 -0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.58 1c0f h ASP 88 CO -0.17 0.28 0.51 0.22 -1.72 0.00 0.00 179.24 178.36 1c0f h TYR 89 N 0.53 0.96 0.00 4.55 3.20 -0.90 -0.99 116.97 124.32 1c0f h TYR 89 Ca 0.21 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.11 1c0f h TYR 89 Cb 0.09 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 38.04 1c0f h TYR 89 CO -0.09 0.59 0.00 1.28 -1.64 0.00 0.00 178.16 178.30 1c0f n LEU 90 N -4.56 2.61 -2.28 2.82 4.77 -0.03 -4.87 117.00 115.45 1c0f n LEU 90 Ca 0.08 -1.30 -0.21 0.00 -0.03 0.00 0.00 56.01 54.55 1c0f n LEU 90 Cb 0.03 -0.49 -0.02 0.00 -2.33 0.00 0.00 43.42 40.62 1c0f n LEU 90 CO 0.35 0.45 -0.26 0.59 -1.33 0.00 0.00 177.39 177.19 1c0f n ASN 91 N 0.43 -5.81 0.00 -1.43 4.13 -0.38 -2.52 115.26 109.68 1c0f n ASN 91 Ca 0.00 0.02 0.00 0.00 1.68 0.00 0.00 54.58 56.28 1c0f n ASN 91 Cb 0.45 -4.85 0.00 0.00 -1.54 0.00 0.00 39.78 33.84 1c0f n ASN 91 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c0f n GLY 92 N -0.97 0.56 0.14 7.41 0.00 0.66 -4.90 105.19 108.09 1c0f n GLY 92 Ca -0.24 0.00 0.12 0.00 0.00 0.00 0.00 46.02 45.90 1c0f n GLY 92 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1c0f h ARG 93 N 1.43 0.00 -7.05 1.61 3.08 -1.63 -3.46 114.38 108.37 1c0f h ARG 93 Ca 0.00 0.00 -0.49 0.00 0.07 0.00 0.00 59.98 59.56 1c0f h ARG 93 Cb 0.12 0.00 0.05 0.00 0.08 0.00 0.00 29.97 30.21 1c0f h ARG 93 CO 0.00 0.00 0.42 0.00 -1.07 0.00 0.00 179.97 179.32 1c0f s ALA 94 N -3.17 2.87 -0.23 0.04 0.00 -1.26 -4.42 121.76 115.59 1c0f s ALA 94 Ca 0.08 0.75 -0.11 0.00 0.00 0.00 0.00 51.96 52.67 1c0f s ALA 94 Cb 0.10 -3.31 -0.05 0.00 0.00 0.00 0.00 23.12 19.86 1c0f s ALA 94 CO 0.65 -0.50 0.20 0.08 0.00 0.00 0.00 175.76 176.19 1c0f s VAL 95 N -1.79 5.34 0.18 0.00 1.01 -0.33 -4.92 120.40 119.90 1c0f s VAL 95 Ca 0.67 0.28 -0.13 0.00 0.00 0.00 0.00 61.98 62.80 1c0f s VAL 95 Cb -0.22 -3.54 -0.07 0.00 0.00 0.00 0.00 36.38 32.55 1c0f s VAL 95 CO 0.26 0.34 0.57 -1.10 0.00 0.00 0.00 175.10 175.17 1c0f s GLN 96 N 0.98 3.94 -0.03 2.72 -0.21 -1.26 -0.52 119.66 125.28 1c0f s GLN 96 Ca 0.10 0.46 -0.02 0.00 0.02 0.00 0.00 55.36 55.91 1c0f s GLN 96 Cb -0.13 -2.82 0.02 0.00 1.00 0.00 0.00 33.01 31.08 1c0f s GLN 96 CO 0.04 0.41 0.08 -1.01 -2.12 0.00 0.00 175.29 172.68 1c0f s HIS 97 N -1.60 -0.07 -0.26 0.91 3.76 0.11 -4.93 115.29 113.21 1c0f s HIS 97 Ca 0.42 0.22 -0.17 0.00 -0.15 0.00 0.00 55.06 55.38 1c0f s HIS 97 Cb -0.14 -0.03 -0.03 0.00 1.11 0.00 0.00 32.58 33.49 1c0f s HIS 97 CO 0.20 -0.06 0.48 0.50 -0.85 0.00 0.00 174.74 175.00 1c0f s ARG 98 N 0.37 4.07 -0.20 1.40 3.52 -1.26 -1.25 118.95 125.59 1c0f s ARG 98 Ca -0.03 0.25 -0.03 0.00 -0.13 0.00 0.00 55.73 55.80 1c0f s ARG 98 Cb -0.04 -3.64 -0.01 0.00 -1.56 0.00 0.00 34.95 29.70 1c0f s ARG 98 CO -0.01 -0.31 -0.07 -1.21 -0.81 0.00 0.00 175.30 172.89 1c0f s GLU 99 N 2.18 3.37 -0.14 5.12 0.41 0.14 -4.91 118.70 124.87 1c0f s GLU 99 Ca 0.20 -0.64 -0.06 0.00 -0.41 0.00 0.00 54.97 54.06 1c0f s GLU 99 Cb -0.16 -2.91 -0.04 0.00 -1.78 0.00 0.00 34.13 29.24 1c0f s GLU 99 CO 0.09 -0.11 0.05 0.08 -0.49 0.00 0.00 175.26 174.88 1c0f s VAL 100 N 1.23 4.71 0.07 2.63 1.01 -1.26 -0.14 120.40 128.66 1c0f s VAL 100 Ca 0.03 -0.08 -0.37 0.00 0.00 0.00 0.00 61.98 61.56 1c0f s VAL 100 Cb -0.14 -3.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.99 1c0f s VAL 100 CO -0.02 0.53 1.19 1.67 0.00 0.00 0.00 175.10 178.46 1c0f n GLN 101 N 2.89 0.70 -0.57 2.72 7.27 -0.80 -0.29 117.38 129.30 1c0f n GLN 101 Ca -0.18 0.25 0.00 0.00 0.07 0.00 0.00 57.00 57.15 1c0f n GLN 101 Cb 0.53 -1.80 0.00 0.00 2.41 0.00 0.00 30.24 31.38 1c0f n GLN 101 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1c0f n GLY 102 N 2.07 1.61 0.64 1.69 0.00 -1.26 -4.81 105.19 105.14 1c0f n GLY 102 Ca 0.18 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.21 1c0f n GLY 102 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1c0f n PHE 103 N -2.00 0.00 -1.79 1.61 3.01 0.60 -5.11 117.46 113.78 1c0f n PHE 103 Ca 0.00 -0.07 -0.38 0.00 1.01 0.00 0.00 57.45 58.01 1c0f n PHE 103 Cb 0.00 -0.06 0.05 0.00 -0.01 0.00 0.00 39.48 39.46 1c0f n PHE 103 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1c0f s GLU 104 N 0.00 2.91 0.73 -1.08 8.01 -1.15 -4.54 118.70 123.58 1c0f s GLU 104 Ca 0.05 2.13 -0.13 0.00 0.01 0.00 0.00 54.97 57.03 1c0f s GLU 104 Cb 0.06 -2.07 0.04 0.00 -4.31 0.00 0.00 34.13 27.84 1c0f s GLU 104 CO -0.02 -1.34 1.12 -1.54 0.01 0.00 0.00 175.26 173.48 1c0f s SER 105 N -1.18 4.59 0.24 -0.19 1.04 -1.26 -4.85 113.70 112.09 1c0f s SER 105 Ca 0.76 1.99 -0.06 0.00 0.48 0.00 0.00 55.95 59.12 1c0f s SER 105 Cb -0.38 -2.55 0.23 0.00 0.10 0.00 0.00 66.02 63.42 1c0f s SER 105 CO 0.43 -1.98 1.85 0.00 0.98 0.00 0.00 173.24 174.52 1c0f h ALA 106 N -0.61 1.17 -0.48 5.32 0.00 -1.99 -1.52 119.26 121.17 1c0f h ALA 106 Ca -0.45 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.36 1c0f h ALA 106 Cb 1.25 -0.35 -0.04 0.00 0.00 0.00 0.00 17.79 18.65 1c0f h ALA 106 CO 0.51 0.66 0.23 1.15 0.00 0.00 0.00 179.25 181.80 1c0f h THR 107 N 1.23 0.94 -0.17 0.00 2.02 -1.98 0.41 112.91 115.36 1c0f h THR 107 Ca 0.31 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.31 1c0f h THR 107 Cb 0.05 0.45 -0.01 0.00 -1.74 0.00 0.00 68.15 66.90 1c0f h THR 107 CO -0.05 0.08 0.03 0.15 0.37 0.00 0.00 175.52 176.10 1c0f h PHE 108 N 0.45 0.30 -0.52 3.16 3.57 -1.78 -2.76 116.94 119.37 1c0f h PHE 108 Ca 0.21 -0.04 0.01 0.00 3.53 0.00 0.00 57.97 61.68 1c0f h PHE 108 Cb 0.14 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.77 1c0f h PHE 108 CO -0.11 0.45 0.34 -0.07 -2.23 0.00 0.00 178.31 176.69 1c0f h LEU 109 N 0.08 0.59 -1.66 0.59 3.38 -0.89 -0.99 115.31 116.40 1c0f h LEU 109 Ca 0.05 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1c0f h LEU 109 Cb 0.31 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1c0f h LEU 109 CO 0.00 0.42 0.00 1.23 0.09 0.00 0.00 178.44 180.19 1c0f h GLY 110 N 0.69 0.00 2.00 0.83 0.00 0.10 -2.41 103.07 104.28 1c0f h GLY 110 Ca 0.19 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.51 1c0f h GLY 110 CO -0.04 0.00 -0.04 -0.97 0.00 0.00 0.00 176.54 175.49 1c0f h TYR 111 N 0.00 0.00 -3.55 5.60 0.05 -1.07 -3.39 116.97 114.60 1c0f h TYR 111 Ca 0.00 0.00 -0.76 0.00 0.05 0.00 0.00 58.73 58.02 1c0f h TYR 111 Cb 0.05 0.00 -0.28 0.00 1.01 0.00 0.00 36.73 37.51 1c0f h TYR 111 CO 0.00 0.04 -0.13 -0.06 -1.05 0.00 0.00 178.16 176.96 1c0f s PHE 112 N -3.46 3.55 0.49 4.88 0.40 -0.91 -4.94 117.98 117.99 1c0f s PHE 112 Ca 0.03 -1.99 0.18 0.00 -0.60 0.00 0.00 56.93 54.55 1c0f s PHE 112 Cb 0.07 -3.64 1.22 0.00 0.51 0.00 0.00 43.02 41.18 1c0f s PHE 112 CO 0.61 -0.97 2.08 0.87 0.70 0.00 0.00 175.22 178.51 1c0f h LYS 113 N 7.94 0.00 -0.58 0.44 1.57 -1.84 -1.25 116.57 122.84 1c0f h LYS 113 Ca -0.04 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1c0f h LYS 113 Cb 1.04 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.35 1c0f h LYS 113 CO 0.81 0.09 0.00 -1.13 -0.57 0.00 0.00 179.45 178.65 1c0f n SER 114 N -4.30 5.78 -0.43 0.86 3.41 -1.26 -5.00 113.62 112.67 1c0f n SER 114 Ca -0.03 -2.94 0.00 0.00 -0.26 0.00 0.00 58.87 55.65 1c0f n SER 114 Cb 0.17 -0.69 0.00 0.00 -0.26 0.00 0.00 64.21 63.43 1c0f n SER 114 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1c0f n GLY 115 N 0.63 -2.73 3.74 5.00 0.00 -0.47 -4.97 105.19 106.39 1c0f n GLY 115 Ca 0.28 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 45.06 1c0f n GLY 115 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 1c0f n LEU 116 N 0.00 5.06 -4.18 0.99 0.00 -1.26 -4.95 117.00 112.66 1c0f n LEU 116 Ca 0.00 1.05 -0.25 0.00 0.00 0.00 0.00 56.01 56.81 1c0f n LEU 116 Cb 0.00 -1.57 -0.15 0.00 0.00 0.00 0.00 43.42 41.70 1c0f n LEU 116 CO 0.00 -0.46 -0.50 -0.75 0.00 0.00 0.00 177.39 175.68 1c0f s LYS 117 N -2.59 1.42 -0.11 1.96 2.20 0.97 -5.03 119.74 118.56 1c0f s LYS 117 Ca 0.66 -0.68 -0.08 0.00 -0.36 0.00 0.00 55.97 55.51 1c0f s LYS 117 Cb -0.44 -1.40 -0.04 0.00 -1.51 0.00 0.00 37.83 34.44 1c0f s LYS 117 CO 0.54 0.38 0.17 0.71 -0.36 0.00 0.00 175.35 176.79 1c0f s TYR 118 N -0.49 3.60 -0.01 4.03 4.12 -1.26 -0.86 117.35 126.48 1c0f s TYR 118 Ca 0.07 0.57 0.01 0.00 0.02 0.00 0.00 57.07 57.73 1c0f s TYR 118 Cb -0.07 -1.99 0.00 0.00 -1.52 0.00 0.00 41.96 38.38 1c0f s TYR 118 CO -0.00 0.70 -0.02 -1.59 0.02 0.00 0.00 175.55 174.66 1c0f s LYS 119 N -0.94 0.23 0.71 -0.62 -2.85 0.04 -4.90 119.74 111.41 1c0f s LYS 119 Ca 0.15 -0.06 -0.15 0.00 -1.00 0.00 0.00 55.97 54.92 1c0f s LYS 119 Cb -0.12 -0.27 0.03 0.00 -2.06 0.00 0.00 37.83 35.41 1c0f s LYS 119 CO 0.05 0.01 1.17 0.15 0.10 0.00 0.00 175.35 176.83 1c0f s LYS 120 N 0.18 2.33 0.00 1.78 -0.14 -1.26 -0.57 119.74 122.06 1c0f s LYS 120 Ca -0.01 1.63 0.00 0.00 -1.36 0.00 0.00 55.97 56.23 1c0f s LYS 120 Cb -0.04 -1.87 0.00 0.00 -1.68 0.00 0.00 37.83 34.24 1c0f s LYS 120 CO -0.00 -1.66 0.00 0.41 -0.76 0.00 0.00 175.35 173.34 1c0f n GLY 121 N 0.09 -1.75 0.00 -3.33 0.00 -1.26 -4.77 105.19 94.16 1c0f n GLY 121 Ca 0.12 -2.04 0.00 0.00 0.00 0.00 0.00 46.02 44.10 1c0f n GLY 121 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1c0f n GLY 122 N 0.00 0.75 3.77 -0.02 0.00 -1.26 -0.55 105.19 107.88 1c0f n GLY 122 Ca 0.00 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.78 1c0f n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1c0f s VAL 123 N -1.78 4.18 0.70 1.61 0.11 -1.26 -5.02 120.40 118.94 1c0f s VAL 123 Ca 0.00 1.90 -0.16 0.00 -2.93 0.00 0.00 61.98 60.78 1c0f s VAL 123 Cb 0.00 -4.11 0.02 0.00 -1.53 0.00 0.00 36.38 30.75 1c0f s VAL 123 CO 0.00 0.27 1.19 0.00 -3.33 0.00 0.00 175.10 173.23 1c0f n ALA 124 N 0.89 0.50 -1.56 1.54 0.00 -1.26 -4.91 120.51 115.72 1c0f n ALA 124 Ca 0.00 -0.13 -0.36 0.00 0.00 0.00 0.00 53.44 52.96 1c0f n ALA 124 Cb 0.49 -2.25 0.08 0.00 0.00 0.00 0.00 19.45 17.77 1c0f n ALA 124 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1c0f s SER 125 N -1.62 4.37 0.07 0.00 0.15 -1.26 -4.48 113.70 110.92 1c0f s SER 125 Ca 0.78 2.53 0.26 0.00 0.70 0.00 0.00 55.95 60.23 1c0f s SER 125 Cb -0.35 -2.61 0.70 0.00 -1.71 0.00 0.00 66.02 62.05 1c0f s SER 125 CO 0.45 -2.16 1.58 0.61 1.20 0.00 0.00 173.24 174.93 1c0f n GLY 126 N 0.75 -1.44 0.00 9.45 0.00 -1.26 -4.92 105.19 107.77 1c0f n GLY 126 Ca 0.15 -0.20 0.02 0.00 0.00 0.00 0.00 46.02 45.99 1c0f n GLY 126 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01