#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gcf s SER 2 N 0.00 4.89 0.00 1.61 0.15 -1.26 -4.80 113.70 114.29 1gcf s SER 2 Ca 0.00 2.57 0.00 0.00 0.70 0.00 0.00 55.95 59.22 1gcf s SER 2 Cb 0.00 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 1gcf s SER 2 CO 0.00 -1.81 0.00 -1.20 1.20 0.00 0.00 173.24 171.43 1gcf n SER 3 N -1.67 0.65 -4.34 5.45 7.64 -1.13 -5.00 113.62 115.23 1gcf n SER 3 Ca 0.14 -0.25 -0.37 0.00 1.01 0.00 0.00 58.87 59.40 1gcf n SER 3 Cb 0.48 0.00 -0.13 0.00 -1.01 0.00 0.00 64.21 63.55 1gcf n SER 3 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gcf s LEU 4 N 0.00 3.83 0.00 -3.43 1.02 -1.26 -4.78 118.68 114.06 1gcf s LEU 4 Ca 0.00 -0.72 0.00 0.00 0.02 0.00 0.00 54.13 53.43 1gcf s LEU 4 Cb 0.00 -1.87 0.00 0.00 0.02 0.00 0.00 46.19 44.34 1gcf s LEU 4 CO 0.00 -0.19 0.00 -0.62 0.02 0.00 0.00 176.35 175.56 1gcf n GLU 5 N 4.86 0.00 -2.34 1.70 -0.58 -1.26 -4.79 120.64 118.23 1gcf n GLU 5 Ca -0.15 0.00 -0.43 0.00 -0.42 0.00 0.00 57.16 56.16 1gcf n GLU 5 Cb 0.48 0.00 -0.02 0.00 -0.57 0.00 0.00 31.44 31.33 1gcf n GLU 5 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1gcf s PRO 6 N -1.24 3.57 0.23 3.49 0.04 -1.26 -4.59 135.00 135.23 1gcf s PRO 6 Ca 0.00 0.96 -0.25 0.00 0.04 0.00 0.00 61.00 61.75 1gcf s PRO 6 Cb 0.00 -4.03 -0.09 0.00 0.04 0.00 0.00 34.50 30.42 1gcf s PRO 6 CO 0.00 -1.58 0.82 -1.25 0.04 0.00 0.00 177.00 175.03 1gcf s PRO 7 N 4.96 4.52 0.80 0.56 0.04 -1.26 -4.51 135.00 140.12 1gcf s PRO 7 Ca 0.62 1.16 -0.11 0.00 0.04 0.00 0.00 61.00 62.71 1gcf s PRO 7 Cb -0.14 -3.05 0.08 0.00 0.04 0.00 0.00 34.50 31.42 1gcf s PRO 7 CO 0.33 0.45 1.11 1.41 0.04 0.00 0.00 177.00 180.34 1gcf s MET 8 N -1.59 1.93 -0.08 4.56 -2.45 -0.51 -4.50 119.30 116.66 1gcf s MET 8 Ca 0.42 1.33 0.02 0.00 -1.25 0.00 0.00 55.69 56.20 1gcf s MET 8 Cb -0.21 -1.85 -0.02 0.00 1.25 0.00 0.00 34.83 34.00 1gcf s MET 8 CO 0.25 -1.91 -0.11 -1.17 1.05 0.00 0.00 175.02 173.12 1gcf s LEU 9 N -6.00 2.88 0.11 4.11 1.98 -1.26 -2.19 118.68 118.30 1gcf s LEU 9 Ca 0.64 -0.18 -0.03 0.00 -2.89 0.00 0.00 54.13 51.68 1gcf s LEU 9 Cb -0.20 -1.62 -0.03 0.00 0.66 0.00 0.00 46.19 45.00 1gcf s LEU 9 CO 0.55 0.30 0.07 -1.10 -1.89 0.00 0.00 176.35 174.28 1gcf s GLN 10 N -0.43 0.86 0.22 1.98 -0.21 -0.90 -4.92 119.66 116.26 1gcf s GLN 10 Ca 0.05 -1.30 -0.01 0.00 0.02 0.00 0.00 55.36 54.12 1gcf s GLN 10 Cb -0.12 0.26 0.04 0.00 1.00 0.00 0.00 33.01 34.19 1gcf s GLN 10 CO 0.02 -0.24 0.30 0.00 -2.12 0.00 0.00 175.29 173.25 1gcf n ALA 11 N -0.05 -0.04 -2.86 6.09 0.00 -1.26 -2.30 120.51 120.09 1gcf n ALA 11 Ca -0.09 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.57 1gcf n ALA 11 Cb 0.63 0.07 -0.16 0.00 0.00 0.00 0.00 19.45 19.99 1gcf n ALA 11 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1gcf s LEU 12 N 0.00 1.91 0.05 0.00 0.20 0.37 -4.55 118.68 116.65 1gcf s LEU 12 Ca 0.19 -0.31 -0.29 0.00 0.69 0.00 0.00 54.13 54.40 1gcf s LEU 12 Cb -0.01 -0.88 -0.04 0.00 -0.43 0.00 0.00 46.19 44.83 1gcf s LEU 12 CO 0.13 0.15 0.94 -1.81 -0.29 0.00 0.00 176.35 175.46 1gcf s ASP 13 N -0.01 7.39 0.10 3.68 1.01 -1.26 -4.71 116.67 122.87 1gcf s ASP 13 Ca -0.02 1.67 0.10 0.00 0.71 0.00 0.00 52.55 55.01 1gcf s ASP 13 Cb -0.10 -2.56 -0.04 0.00 1.01 0.00 0.00 42.92 41.23 1gcf s ASP 13 CO 0.01 -0.14 -0.25 -0.63 0.21 0.00 0.00 175.17 174.37 1gcf s ILE 14 N 0.47 2.09 0.00 0.77 -1.09 -1.26 -4.76 121.20 117.43 1gcf s ILE 14 Ca 0.48 -1.62 0.00 0.00 -2.23 0.00 0.00 60.65 57.28 1gcf s ILE 14 Cb -0.22 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 38.81 1gcf s ILE 14 CO 0.28 0.11 0.00 0.61 -1.23 0.00 0.00 174.94 174.71 1gcf n GLY 15 N 1.15 0.03 0.00 6.18 0.00 -1.26 -4.83 105.19 106.47 1gcf n GLY 15 Ca -0.18 0.02 0.15 0.00 0.00 0.00 0.00 46.02 46.01 1gcf n GLY 15 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1gcf n PRO 16 N 0.00 0.64 -0.01 1.61 -0.04 -1.26 -3.16 135.00 132.78 1gcf n PRO 16 Ca 0.00 0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.47 1gcf n PRO 16 Cb 0.00 -1.50 0.01 0.00 -0.04 0.00 0.00 33.50 31.97 1gcf n PRO 16 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1gcf n ASP 17 N -1.17 1.56 -2.75 3.54 5.68 -1.26 -4.87 116.55 117.28 1gcf n ASP 17 Ca 0.18 -1.84 -0.06 0.00 -0.50 0.00 0.00 54.79 52.57 1gcf n ASP 17 Cb 0.18 -0.02 0.04 0.00 -1.14 0.00 0.00 41.12 40.18 1gcf n ASP 17 CO 0.00 0.00 0.00 0.52 -1.33 0.00 0.00 177.20 176.39 1gcf n VAL 18 N -0.43 0.00 -0.33 2.12 0.31 -1.19 -4.99 118.33 113.82 1gcf n VAL 18 Ca 0.01 -1.25 0.30 0.00 -0.01 0.00 0.00 64.34 63.39 1gcf n VAL 18 Cb 0.33 1.28 0.54 0.00 -0.91 0.00 0.00 33.84 35.07 1gcf n VAL 18 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 1gcf n VAL 19 N 2.11 -0.30 -0.16 2.52 0.31 -1.25 -4.05 118.33 117.51 1gcf n VAL 19 Ca 0.12 1.65 0.00 0.00 -0.01 0.00 0.00 64.34 66.10 1gcf n VAL 19 Cb 0.61 -2.70 0.00 0.00 -0.91 0.00 0.00 33.84 30.84 1gcf n VAL 19 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1gcf n SER 20 N -4.71 -2.60 -0.01 4.52 2.88 -1.26 -4.97 113.62 107.47 1gcf n SER 20 Ca 0.33 0.12 -0.02 0.00 -1.33 0.00 0.00 58.87 57.97 1gcf n SER 20 Cb 1.20 0.47 -0.01 0.00 -0.75 0.00 0.00 64.21 65.13 1gcf n SER 20 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1gcf n HIS 21 N -0.45 0.00 -0.64 0.66 8.25 -1.26 -5.05 115.22 116.73 1gcf n HIS 21 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 57.72 57.15 1gcf n HIS 21 Cb 0.00 -0.06 0.19 0.00 1.12 0.00 0.00 29.99 31.24 1gcf n HIS 21 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1gcf n GLN 22 N -3.06 -1.44 -0.99 -0.41 6.02 -1.26 -4.80 117.38 111.43 1gcf n GLN 22 Ca -0.03 -0.39 -0.12 0.00 -0.01 0.00 0.00 57.00 56.45 1gcf n GLN 22 Cb 0.52 -1.96 -0.13 0.00 1.02 0.00 0.00 30.24 29.68 1gcf n GLN 22 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1gcf n PRO 23 N -3.16 1.92 0.00 -1.09 -0.04 -1.26 -4.56 135.00 126.82 1gcf n PRO 23 Ca 0.04 -1.03 0.00 0.00 -0.04 0.00 0.00 63.50 62.47 1gcf n PRO 23 Cb 0.57 -1.89 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1gcf n PRO 23 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gcf n GLY 24 N 2.18 1.96 3.28 0.55 0.00 -1.26 -4.96 105.19 106.93 1gcf n GLY 24 Ca 0.38 -0.68 -0.15 0.00 0.00 0.00 0.00 46.02 45.57 1gcf n GLY 24 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gcf s LEU 26 N -3.21 2.89 -0.10 0.00 1.43 -0.49 -4.33 118.68 114.87 1gcf s LEU 26 Ca 0.19 -1.32 -0.03 0.00 -1.03 0.00 0.00 54.13 51.94 1gcf s LEU 26 Cb 0.02 -0.97 0.05 0.00 0.03 0.00 0.00 46.19 45.33 1gcf s LEU 26 CO 0.03 -0.43 0.13 0.26 0.23 0.00 0.00 176.35 176.57 1gcf s TRP 27 N -2.69 -0.08 0.21 0.29 0.51 -1.26 -2.71 118.94 113.21 1gcf s TRP 27 Ca 0.35 0.36 0.02 0.00 -2.12 0.00 0.00 56.10 54.71 1gcf s TRP 27 Cb 0.09 -0.38 0.02 0.00 -0.81 0.00 0.00 33.47 32.38 1gcf s TRP 27 CO 0.18 -0.32 0.16 1.28 -0.51 0.00 0.00 176.95 177.74 1gcf n LEU 28 N 5.31 0.00 0.00 2.99 4.77 -0.70 -0.48 117.00 128.89 1gcf n LEU 28 Ca -0.05 -1.09 0.00 0.00 -0.03 0.00 0.00 56.01 54.85 1gcf n LEU 28 Cb 0.50 -0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1gcf n LEU 28 CO 0.06 -0.38 0.00 -1.54 -1.33 0.00 0.00 177.39 174.20 1gcf n SER 29 N -1.96 0.00 -4.33 -1.43 3.41 -0.97 -1.16 113.62 107.18 1gcf n SER 29 Ca -0.01 0.00 -0.17 0.00 -0.26 0.00 0.00 58.87 58.43 1gcf n SER 29 Cb 0.24 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.09 1gcf n SER 29 CO 0.00 0.00 0.00 -1.66 -0.16 0.00 0.00 175.04 173.22 1gcf s TRP 30 N 0.00 1.58 -0.25 7.33 -2.14 -1.21 -2.12 118.94 122.13 1gcf s TRP 30 Ca 0.00 -1.06 -0.26 0.00 2.66 0.00 0.00 56.10 57.43 1gcf s TRP 30 Cb 0.00 -0.94 0.12 0.00 -3.10 0.00 0.00 33.47 29.55 1gcf s TRP 30 CO 0.00 -0.19 1.00 -1.59 -2.66 0.00 0.00 176.95 173.51 1gcf s LYS 31 N -3.96 0.55 0.00 3.25 -2.85 -0.93 -3.42 119.74 112.38 1gcf s LYS 31 Ca 0.34 0.51 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1gcf s LYS 31 Cb 0.07 0.27 0.00 0.00 -2.06 0.00 0.00 37.83 36.11 1gcf s LYS 31 CO 0.12 -0.10 0.00 -0.35 0.10 0.00 0.00 175.35 175.12 1gcf n PRO 32 N 1.88 1.95 -2.10 1.78 -0.04 -1.26 -1.43 135.00 135.78 1gcf n PRO 32 Ca -0.12 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.32 1gcf n PRO 32 Cb 0.56 0.00 -0.01 0.00 -0.04 0.00 0.00 33.50 34.01 1gcf n PRO 32 CO 0.00 0.00 0.00 -2.67 -0.04 0.00 0.00 175.50 172.79 1gcf n TRP 33 N 0.00 -0.16 -3.82 0.54 2.14 -1.26 -4.84 117.44 110.04 1gcf n TRP 33 Ca 0.00 -0.35 -0.13 0.00 2.07 0.00 0.00 57.50 59.09 1gcf n TRP 33 Cb 0.00 0.87 -0.14 0.00 -0.81 0.00 0.00 31.31 31.23 1gcf n TRP 33 CO 0.00 0.00 0.00 0.15 2.07 0.00 0.00 177.69 179.91 1gcf s LYS 34 N 0.01 0.06 0.28 -2.67 1.02 -1.26 -5.01 119.74 112.17 1gcf s LYS 34 Ca 0.01 0.15 -0.28 0.00 0.02 0.00 0.00 55.97 55.86 1gcf s LYS 34 Cb 0.03 -0.05 -0.09 0.00 -0.52 0.00 0.00 37.83 37.20 1gcf s LYS 34 CO -0.01 -0.06 0.96 -1.25 -0.92 0.00 0.00 175.35 174.08 1gcf s PRO 35 N 0.39 4.72 -0.16 -1.68 0.04 -1.26 -2.82 135.00 134.22 1gcf s PRO 35 Ca -0.03 1.47 -0.34 0.00 0.04 0.00 0.00 61.00 62.14 1gcf s PRO 35 Cb -0.04 -3.08 0.14 0.00 0.04 0.00 0.00 34.50 31.55 1gcf s PRO 35 CO -0.01 0.38 1.24 0.45 0.04 0.00 0.00 177.00 179.09 1gcf s SER 36 N -1.31 -0.11 0.00 6.66 0.15 -1.26 -4.95 113.70 112.88 1gcf s SER 36 Ca 0.45 -0.03 0.00 0.00 0.70 0.00 0.00 55.95 57.07 1gcf s SER 36 Cb -0.24 0.14 0.00 0.00 -1.71 0.00 0.00 66.02 64.21 1gcf s SER 36 CO 0.30 -0.23 0.25 1.21 1.20 0.00 0.00 173.24 175.97 1gcf n GLU 37 N -0.16 0.00 0.00 5.44 2.13 -1.26 -4.79 120.64 121.99 1gcf n GLU 37 Ca -0.01 0.33 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1gcf n GLU 37 Cb 0.59 -0.98 0.00 0.00 0.27 0.00 0.00 31.44 31.32 1gcf n GLU 37 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1gcf n TYR 38 N -1.50 0.00 -0.98 4.31 4.11 -1.26 -4.90 117.16 116.93 1gcf n TYR 38 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1gcf n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.34 1gcf n TYR 38 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.86 176.74 1gcf n MET 39 N 0.00 0.00 0.00 -3.48 1.56 -1.26 -5.08 117.12 108.86 1gcf n MET 39 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.43 1gcf n MET 39 Cb 0.00 -1.02 0.00 0.00 2.15 0.00 0.00 33.22 34.35 1gcf n MET 39 CO 0.00 0.00 0.00 -1.91 -0.73 0.00 0.00 175.97 173.33 1gcf n GLU 40 N -0.24 2.72 0.00 2.12 0.00 -1.26 -5.06 120.64 118.92 1gcf n GLU 40 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1gcf n GLU 40 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.64 1gcf n GLU 40 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.13 178.17 1gcf n GLN 41 N 0.00 0.00 0.00 5.31 3.00 -1.26 -4.87 117.38 119.55 1gcf n GLN 41 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1gcf n GLN 41 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30.24 30.24 1gcf n GLN 41 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.06 175.15 1gcf n GLU 42 N -0.46 0.00 -3.96 -1.09 0.00 -1.25 -4.18 120.64 109.69 1gcf n GLU 42 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 57.16 57.07 1gcf n GLU 42 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.36 1gcf n GLU 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1gcf s GLU 44 N -3.92 1.24 0.24 0.00 0.41 -1.02 -3.10 118.70 112.55 1gcf s GLU 44 Ca 0.10 -1.60 0.10 0.00 -0.41 0.00 0.00 54.97 53.16 1gcf s GLU 44 Cb 0.05 -0.55 -0.04 0.00 -1.78 0.00 0.00 34.13 31.81 1gcf s GLU 44 CO -0.07 -0.07 -0.11 -1.17 -0.49 0.00 0.00 175.26 173.35 1gcf s LEU 45 N -3.25 2.88 0.01 1.80 2.96 -0.49 -3.00 118.68 119.58 1gcf s LEU 45 Ca 0.25 -0.76 0.03 0.00 -0.22 0.00 0.00 54.13 53.42 1gcf s LEU 45 Cb 0.05 -1.46 -0.01 0.00 0.50 0.00 0.00 46.19 45.27 1gcf s LEU 45 CO 0.06 0.05 -0.08 -0.60 -1.32 0.00 0.00 176.35 174.46 1gcf s ARG 46 N -3.30 0.62 -0.28 1.98 3.52 -1.06 -1.34 118.95 119.09 1gcf s ARG 46 Ca 0.28 -0.39 -0.14 0.00 -0.13 0.00 0.00 55.73 55.36 1gcf s ARG 46 Cb -0.07 -0.57 0.10 0.00 -1.56 0.00 0.00 34.95 32.85 1gcf s ARG 46 CO 0.16 0.15 0.66 1.52 -0.81 0.00 0.00 175.30 176.98 1gcf s TYR 47 N -0.43 -1.13 0.06 5.12 -0.85 -0.77 -1.73 117.35 117.62 1gcf s TYR 47 Ca 0.01 2.16 0.06 0.00 -0.52 0.00 0.00 57.07 58.77 1gcf s TYR 47 Cb -0.04 0.67 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1gcf s TYR 47 CO -0.00 -0.57 -0.17 1.14 -1.52 0.00 0.00 175.55 174.44 1gcf s GLN 48 N 2.05 1.03 -0.61 -3.49 1.03 -0.62 -1.81 119.66 117.24 1gcf s GLN 48 Ca -0.09 -0.94 -0.28 0.00 0.04 0.00 0.00 55.36 54.10 1gcf s GLN 48 Cb -0.07 -1.12 0.03 0.00 0.03 0.00 0.00 33.01 31.87 1gcf s GLN 48 CO -0.19 0.27 1.28 -1.25 -2.54 0.00 0.00 175.29 172.85 1gcf s PRO 49 N -1.48 3.38 -0.44 9.60 0.04 -1.26 -1.42 135.00 143.42 1gcf s PRO 49 Ca 0.03 0.20 -0.29 0.00 0.04 0.00 0.00 61.00 60.99 1gcf s PRO 49 Cb -0.09 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.38 1gcf s PRO 49 CO 0.02 -1.86 1.44 -1.14 0.04 0.00 0.00 177.00 175.50 1gcf s GLN 50 N 5.29 3.50 0.00 4.56 0.74 0.11 -4.61 119.66 129.25 1gcf s GLN 50 Ca 0.44 0.87 0.00 0.00 0.05 0.00 0.00 55.36 56.72 1gcf s GLN 50 Cb -0.08 -4.05 0.00 0.00 1.10 0.00 0.00 33.01 29.97 1gcf s GLN 50 CO 0.23 -1.66 0.00 1.47 -0.55 0.00 0.00 175.29 174.78 1gcf n LEU 51 N 9.08 0.00 -0.26 3.68 -0.00 -1.26 -3.09 117.00 125.14 1gcf n LEU 51 Ca 0.16 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.24 1gcf n LEU 51 Cb 0.48 0.00 0.20 0.00 -0.00 0.00 0.00 43.42 44.10 1gcf n LEU 51 CO 0.70 0.00 0.96 0.11 -0.00 0.00 0.00 177.39 179.17 1gcf h LYS 52 N 0.00 0.31 0.00 1.47 1.79 -1.94 -3.44 116.57 114.76 1gcf h LYS 52 Ca 0.00 -0.02 0.00 0.00 -2.18 0.00 0.00 60.65 58.45 1gcf h LYS 52 Cb 0.00 -0.07 0.00 0.00 -1.58 0.00 0.00 32.23 30.58 1gcf h LYS 52 CO 0.00 0.21 0.00 0.41 -1.08 0.00 0.00 179.45 178.99 1gcf n GLY 53 N -1.34 4.26 0.00 3.86 0.00 -1.26 -5.18 105.19 105.52 1gcf n GLY 53 Ca 0.15 -1.53 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1gcf n GLY 53 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gcf n ALA 54 N -3.00 0.00 -0.34 4.61 0.00 -1.26 -4.75 120.51 115.77 1gcf n ALA 54 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1gcf n ALA 54 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 1gcf n ALA 54 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1gcf n ASN 55 N 0.00 0.87 -1.58 0.00 2.85 -1.26 -5.09 115.26 111.05 1gcf n ASN 55 Ca 0.00 -1.21 0.00 0.00 -0.11 0.00 0.00 54.58 53.26 1gcf n ASN 55 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 -2.11 0.00 0.00 177.26 175.94 1gcf n TRP 56 N -0.11 -4.10 -4.30 1.20 7.02 -1.26 -5.01 117.44 110.88 1gcf n TRP 56 Ca 0.00 2.14 -0.29 0.00 -1.02 0.00 0.00 57.50 58.33 1gcf n TRP 56 Cb 0.16 -3.36 -0.11 0.00 -2.42 0.00 0.00 31.31 25.58 1gcf n TRP 56 CO 0.00 0.00 0.00 0.99 -2.02 0.00 0.00 177.69 176.66 1gcf s THR 57 N -1.96 2.93 0.21 -0.99 2.01 -0.75 -4.97 115.64 112.12 1gcf s THR 57 Ca 0.00 -1.57 0.04 0.00 0.31 0.00 0.00 61.69 60.47 1gcf s THR 57 Cb 0.00 -2.38 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1gcf s THR 57 CO 0.00 0.03 -0.03 -0.76 -0.69 0.00 0.00 174.62 173.17 1gcf s LEU 58 N -2.37 2.28 -0.08 4.42 1.43 -1.26 -1.86 118.68 121.25 1gcf s LEU 58 Ca 0.20 -1.17 -0.04 0.00 -1.03 0.00 0.00 54.13 52.09 1gcf s LEU 58 Cb -0.10 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.85 1gcf s LEU 58 CO 0.12 -0.46 0.18 -0.69 0.23 0.00 0.00 176.35 175.73 1gcf s VAL 59 N -3.38 -0.03 0.00 -1.59 1.01 -0.45 -4.98 120.40 110.97 1gcf s VAL 59 Ca 0.25 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.35 1gcf s VAL 59 Cb 0.05 -0.28 0.00 0.00 0.00 0.00 0.00 36.38 36.15 1gcf s VAL 59 CO 0.07 0.05 0.00 0.49 0.00 0.00 0.00 175.10 175.70 1gcf n PHE 60 N 3.84 -0.02 -4.06 5.22 3.72 -1.26 -1.39 117.46 123.51 1gcf n PHE 60 Ca -0.22 0.00 -0.33 0.00 -0.05 0.00 0.00 57.45 56.85 1gcf n PHE 60 Cb 0.54 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.08 1gcf n PHE 60 CO 0.00 0.00 0.00 0.72 -0.05 0.00 0.00 176.76 177.43 1gcf n HIS 61 N -0.01 -2.05 -4.01 1.38 8.25 -1.26 -4.91 115.22 112.61 1gcf n HIS 61 Ca 0.00 0.86 -0.29 0.00 -0.26 0.00 0.00 57.72 58.02 1gcf n HIS 61 Cb 0.00 -3.52 -0.05 0.00 1.12 0.00 0.00 29.99 27.54 1gcf n HIS 61 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1gcf s LEU 62 N -7.28 3.99 0.00 2.41 1.02 -1.18 -5.08 118.68 112.56 1gcf s LEU 62 Ca 0.69 0.06 0.00 0.00 0.02 0.00 0.00 54.13 54.90 1gcf s LEU 62 Cb -0.36 -2.63 0.00 0.00 0.02 0.00 0.00 46.19 43.22 1gcf s LEU 62 CO 0.87 0.14 0.00 -0.81 0.02 0.00 0.00 176.35 176.58 1gcf n PRO 63 N 0.19 -0.08 -0.47 1.29 -0.04 -1.26 -3.60 135.00 131.03 1gcf n PRO 63 Ca -0.07 0.00 0.08 0.00 -0.04 0.00 0.00 63.50 63.46 1gcf n PRO 63 Cb 0.52 0.00 0.27 0.00 -0.04 0.00 0.00 33.50 34.25 1gcf n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gcf n SER 64 N -2.50 4.06 0.00 3.54 3.41 -1.26 -4.15 113.62 116.72 1gcf n SER 64 Ca 0.00 -2.71 0.00 0.00 -0.26 0.00 0.00 58.87 55.90 1gcf n SER 64 Cb 0.00 -0.50 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 1gcf n SER 64 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1gcf n SER 65 N 0.10 0.00 -4.87 4.04 3.41 -1.26 -4.39 113.62 110.64 1gcf n SER 65 Ca 0.21 0.00 -0.37 0.00 -0.26 0.00 0.00 58.87 58.45 1gcf n SER 65 Cb 0.84 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.72 1gcf n SER 65 CO 0.00 0.00 0.00 -0.75 -0.16 0.00 0.00 175.04 174.13 1gcf s LYS 66 N 0.00 3.50 -0.08 4.33 2.47 -1.22 -4.98 119.74 123.77 1gcf s LYS 66 Ca 0.00 -0.13 -0.25 0.00 -1.56 0.00 0.00 55.97 54.04 1gcf s LYS 66 Cb 0.00 -3.21 -0.28 0.00 -1.46 0.00 0.00 37.83 32.88 1gcf s LYS 66 CO 0.00 0.74 0.88 0.22 0.16 0.00 0.00 175.35 177.35 1gcf h ASP 67 N 5.10 0.28 -1.48 1.43 3.58 -1.90 -3.19 116.42 120.23 1gcf h ASP 67 Ca -0.54 -0.94 -0.43 0.00 0.42 0.00 0.00 57.03 55.54 1gcf h ASP 67 Cb 1.22 -0.09 -0.30 0.00 1.72 0.00 0.00 39.33 41.89 1gcf h ASP 67 CO 0.59 1.19 -0.85 0.00 -2.88 0.00 0.00 179.24 177.29 1gcf n GLN 68 N -4.35 0.58 -1.51 0.28 6.02 -1.26 -4.78 117.38 112.36 1gcf n GLN 68 Ca -0.12 -2.70 -0.46 0.00 -0.01 0.00 0.00 57.00 53.71 1gcf n GLN 68 Cb 0.66 -1.41 -0.02 0.00 1.02 0.00 0.00 30.24 30.48 1gcf n GLN 68 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1gcf n PHE 69 N 2.01 0.58 -3.91 1.08 -0.00 -0.31 -4.73 117.46 112.18 1gcf n PHE 69 Ca 0.20 0.81 -0.30 0.00 -0.00 0.00 0.00 57.45 58.16 1gcf n PHE 69 Cb 0.55 -2.14 -0.15 0.00 -0.00 0.00 0.00 39.48 37.73 1gcf n PHE 69 CO 0.00 0.00 0.00 -2.00 -0.00 0.00 0.00 176.76 174.76 1gcf s GLU 70 N -1.24 1.43 0.27 -4.13 -6.30 -1.26 -1.72 118.70 105.75 1gcf s GLU 70 Ca 0.62 -1.06 0.08 0.00 -2.50 0.00 0.00 54.97 52.11 1gcf s GLU 70 Cb -0.81 -2.55 -0.04 0.00 0.00 0.00 0.00 34.13 30.73 1gcf s GLU 70 CO 0.58 -0.69 0.12 -1.17 0.02 0.00 0.00 175.26 174.12 1gcf s LEU 71 N 1.40 3.49 0.28 2.70 2.96 -1.10 -4.97 118.68 123.44 1gcf s LEU 71 Ca -0.02 -0.48 -0.19 0.00 -0.22 0.00 0.00 54.13 53.22 1gcf s LEU 71 Cb -0.19 -2.02 0.02 0.00 0.50 0.00 0.00 46.19 44.50 1gcf s LEU 71 CO -0.09 -0.08 0.68 0.00 -1.32 0.00 0.00 176.35 175.54 1gcf n GLY 73 N -0.45 0.58 3.41 0.00 0.00 -1.25 -5.02 105.19 102.47 1gcf n GLY 73 Ca -0.04 -0.78 -0.41 0.00 0.00 0.00 0.00 46.02 44.79 1gcf n GLY 73 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1gcf s LEU 74 N 0.00 4.78 -0.41 0.99 1.43 -1.26 -4.91 118.68 119.29 1gcf s LEU 74 Ca 0.00 -0.90 0.05 0.00 -1.03 0.00 0.00 54.13 52.25 1gcf s LEU 74 Cb 0.00 -2.07 0.32 0.00 0.03 0.00 0.00 46.19 44.47 1gcf s LEU 74 CO 0.00 -0.38 1.21 0.00 0.23 0.00 0.00 176.35 177.41 1gcf n HIS 75 N 5.05 -1.99 0.00 0.29 1.44 -1.26 -4.84 115.22 113.90 1gcf n HIS 75 Ca -0.12 -1.58 0.00 0.00 -2.01 0.00 0.00 57.72 54.01 1gcf n HIS 75 Cb 0.47 1.46 0.00 0.00 0.12 0.00 0.00 29.99 32.04 1gcf n HIS 75 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gcf n GLN 76 N 0.53 0.16 -4.12 -1.40 1.13 -1.26 -5.09 117.38 107.32 1gcf n GLN 76 Ca 0.02 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.82 1gcf n GLN 76 Cb 0.72 -0.61 -0.06 0.00 0.11 0.00 0.00 30.24 30.40 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gcf s ALA 77 N -1.22 3.45 0.16 -1.58 0.00 -1.26 -4.97 121.76 116.34 1gcf s ALA 77 Ca 0.00 -1.26 -0.01 0.00 0.00 0.00 0.00 51.96 50.69 1gcf s ALA 77 Cb 0.00 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.85 1gcf s ALA 77 CO 0.00 0.50 1.37 -1.00 0.00 0.00 0.00 175.76 176.63 1gcf h PRO 78 N 2.53 0.33 -5.77 0.00 0.13 -1.94 -3.44 132.00 123.84 1gcf h PRO 78 Ca -0.47 -0.33 -0.58 0.00 -0.87 0.00 0.00 66.00 63.74 1gcf h PRO 78 Cb 1.20 0.09 -0.30 0.00 0.13 0.00 0.00 31.00 32.12 1gcf h PRO 78 CO 0.62 1.01 -0.85 0.54 -0.23 0.00 0.00 178.00 179.09 1gcf s VAL 79 N -3.35 1.55 -0.07 1.56 0.11 -1.18 -4.69 120.40 114.33 1gcf s VAL 79 Ca -0.05 -0.82 0.02 0.00 -2.93 0.00 0.00 61.98 58.20 1gcf s VAL 79 Cb 0.10 -1.30 -0.03 0.00 -1.53 0.00 0.00 36.38 33.63 1gcf s VAL 79 CO 0.85 0.44 -0.12 -0.31 -3.33 0.00 0.00 175.10 172.63 1gcf s TYR 80 N -0.33 2.79 0.17 1.54 1.51 -0.65 0.07 117.35 122.45 1gcf s TYR 80 Ca 0.04 -0.17 0.07 0.00 -1.01 0.00 0.00 57.07 56.00 1gcf s TYR 80 Cb -0.09 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.03 1gcf s TYR 80 CO 0.00 0.18 0.04 0.99 -1.11 0.00 0.00 175.55 175.64 1gcf s THR 81 N -0.59 3.95 0.03 -0.71 2.01 -0.51 -2.12 115.64 117.70 1gcf s THR 81 Ca 0.09 -1.31 -0.06 0.00 0.31 0.00 0.00 61.69 60.71 1gcf s THR 81 Cb -0.11 -2.99 -0.01 0.00 0.01 0.00 0.00 72.50 69.40 1gcf s THR 81 CO 0.01 -0.10 0.12 -0.76 -0.69 0.00 0.00 174.62 173.21 1gcf s LEU 82 N -2.95 1.68 0.00 4.42 1.02 -0.67 -1.59 118.68 120.59 1gcf s LEU 82 Ca 0.28 -0.43 0.00 0.00 0.02 0.00 0.00 54.13 54.00 1gcf s LEU 82 Cb -0.10 0.67 0.00 0.00 0.02 0.00 0.00 46.19 46.78 1gcf s LEU 82 CO 0.20 -0.48 0.00 0.00 0.02 0.00 0.00 176.35 176.09 1gcf n GLN 83 N 0.92 0.00 -3.72 1.70 3.00 -0.71 -2.11 117.38 116.47 1gcf n GLN 83 Ca -0.20 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.67 1gcf n GLN 83 Cb 0.58 0.00 -0.07 0.00 0.00 0.00 0.00 30.24 30.75 1gcf n GLN 83 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1gcf s MET 84 N -1.99 0.85 0.14 -1.09 -1.94 -1.18 -2.55 119.30 111.55 1gcf s MET 84 Ca 0.00 -0.45 -0.03 0.00 -1.71 0.00 0.00 55.69 53.50 1gcf s MET 84 Cb 0.00 0.37 -0.03 0.00 2.01 0.00 0.00 34.83 37.18 1gcf s MET 84 CO 0.00 -0.28 0.12 0.50 -0.01 0.00 0.00 175.02 175.35 1gcf s ARG 85 N -2.53 1.01 0.40 2.03 3.52 -1.16 -1.31 118.95 120.91 1gcf s ARG 85 Ca -0.05 -1.38 -0.14 0.00 -0.13 0.00 0.00 55.73 54.03 1gcf s ARG 85 Cb -0.01 0.28 0.06 0.00 -1.56 0.00 0.00 34.95 33.72 1gcf s ARG 85 CO -0.03 -0.31 0.77 0.00 -0.81 0.00 0.00 175.30 174.92 1gcf n ILE 87 N -0.54 0.00 -0.93 0.00 3.06 -1.21 -3.50 119.36 116.25 1gcf n ILE 87 Ca -0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.17 1gcf n ILE 87 Cb 0.60 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.78 1gcf n ILE 87 CO 0.00 0.00 0.00 0.54 -2.50 0.00 0.00 176.55 174.59 1gcf n ARG 88 N 0.00 3.54 0.00 9.51 1.74 -1.26 -4.10 116.66 126.08 1gcf n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1gcf n ARG 88 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1gcf n ARG 88 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1gcf n SER 89 N 0.00 0.00 -0.03 0.55 2.88 -1.26 -3.92 113.62 111.85 1gcf n SER 89 Ca 0.00 0.00 -0.16 0.00 -1.33 0.00 0.00 58.87 57.38 1gcf n SER 89 Cb 0.00 0.02 -0.08 0.00 -0.75 0.00 0.00 64.21 63.40 1gcf n SER 89 CO 0.00 0.00 0.00 -1.28 -1.23 0.00 0.00 175.04 172.53 1gcf h SER 90 N 0.00 0.67 -2.27 -3.46 0.87 -1.98 -3.40 113.55 103.99 1gcf h SER 90 Ca 0.00 -0.65 -0.58 0.00 -1.23 0.00 0.00 61.79 59.33 1gcf h SER 90 Cb 0.00 -0.20 -0.39 0.00 -0.44 0.00 0.00 62.40 61.37 1gcf h SER 90 CO 0.00 1.21 -0.99 0.00 -0.53 0.00 0.00 176.83 176.52 1gcf n LEU 91 N -4.18 0.09 -4.91 2.23 -0.00 -1.26 -5.11 117.00 103.86 1gcf n LEU 91 Ca -0.08 -4.57 -0.28 0.00 -0.00 0.00 0.00 56.01 51.08 1gcf n LEU 91 Cb 0.63 0.46 0.07 0.00 -0.00 0.00 0.00 43.42 44.58 1gcf n LEU 91 CO 0.47 1.93 0.71 -2.16 -0.00 0.00 0.00 177.39 178.35 1gcf s PRO 92 N -0.55 2.26 0.00 1.47 0.04 -1.26 -4.87 135.00 132.08 1gcf s PRO 92 Ca 0.33 0.06 0.00 0.00 0.04 0.00 0.00 61.00 61.44 1gcf s PRO 92 Cb 0.08 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.58 1gcf s PRO 92 CO -0.16 -1.33 0.00 0.41 0.04 0.00 0.00 177.00 175.96 1gcf n GLY 93 N -3.10 0.68 0.10 0.56 0.00 -1.26 -4.96 105.19 97.21 1gcf n GLY 93 Ca 0.08 0.09 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 1gcf n GLY 93 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1gcf h PHE 94 N 0.00 0.31 -2.20 1.61 3.04 -2.01 -3.50 116.94 114.19 1gcf h PHE 94 Ca 0.00 -0.22 0.12 0.00 3.98 0.00 0.00 57.97 61.85 1gcf h PHE 94 Cb 0.00 -0.01 -0.03 0.00 2.56 0.00 0.00 35.95 38.47 1gcf h PHE 94 CO 0.00 1.23 -0.16 0.91 -2.02 0.00 0.00 178.31 178.27 1gcf n TRP 95 N -3.40 -2.45 -4.28 0.41 7.02 -1.26 -4.96 117.44 108.52 1gcf n TRP 95 Ca -0.11 0.56 -0.14 0.00 -1.02 0.00 0.00 57.50 56.79 1gcf n TRP 95 Cb 1.02 -0.85 -0.04 0.00 -2.42 0.00 0.00 31.31 29.02 1gcf n TRP 95 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1gcf n SER 96 N -3.09 1.40 -4.80 -0.99 7.64 -1.23 -5.02 113.62 107.54 1gcf n SER 96 Ca 0.00 -2.13 -0.35 0.00 1.01 0.00 0.00 58.87 57.40 1gcf n SER 96 Cb 0.20 0.47 -0.05 0.00 -1.01 0.00 0.00 64.21 63.82 1gcf n SER 96 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gcf s PRO 97 N -2.83 4.13 -0.52 1.43 0.04 -1.26 -4.87 135.00 131.12 1gcf s PRO 97 Ca 0.09 1.35 -0.27 0.00 0.04 0.00 0.00 61.00 62.20 1gcf s PRO 97 Cb 0.00 -2.35 -0.02 0.00 0.04 0.00 0.00 34.50 32.17 1gcf s PRO 97 CO 0.06 -0.15 1.81 -1.58 0.04 0.00 0.00 177.00 177.19 1gcf s TRP 98 N -1.87 1.75 0.75 0.56 0.52 -1.26 -4.79 118.94 114.60 1gcf s TRP 98 Ca 0.61 0.74 -0.15 0.00 0.02 0.00 0.00 56.10 57.32 1gcf s TRP 98 Cb -0.17 -4.11 0.03 0.00 -1.15 0.00 0.00 33.47 28.07 1gcf s TRP 98 CO 0.21 -2.46 1.02 0.43 0.02 0.00 0.00 176.95 176.17 1gcf n SER 99 N 11.81 0.57 -4.74 2.95 7.64 -0.42 -4.85 113.62 126.57 1gcf n SER 99 Ca 0.21 0.63 -0.41 0.00 1.01 0.00 0.00 58.87 60.32 1gcf n SER 99 Cb 0.50 -1.43 -0.04 0.00 -1.01 0.00 0.00 64.21 62.23 1gcf n SER 99 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gcf s PRO 100 N -3.57 4.67 0.00 1.43 0.04 -1.26 -3.13 135.00 133.18 1gcf s PRO 100 Ca 0.73 1.65 0.00 0.00 0.04 0.00 0.00 61.00 63.42 1gcf s PRO 100 Cb -0.32 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 30.94 1gcf s PRO 100 CO 0.51 0.20 0.00 0.41 0.04 0.00 0.00 177.00 178.16 1gcf n GLY 101 N 1.82 0.74 0.00 0.56 0.00 -1.23 -4.79 105.19 102.29 1gcf n GLY 101 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1gcf n GLY 101 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1gcf n LEU 102 N 0.00 0.00 -3.69 0.99 -0.00 -0.90 -5.00 117.00 108.40 1gcf n LEU 102 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 56.01 55.90 1gcf n LEU 102 Cb 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.32 1gcf n LEU 102 CO 0.00 0.00 0.13 -1.10 -0.00 0.00 0.00 177.39 176.42 1gcf s GLN 103 N -1.29 0.49 0.12 1.47 -0.21 -1.26 -1.67 119.66 117.32 1gcf s GLN 103 Ca 0.00 0.82 -0.02 0.00 0.02 0.00 0.00 55.36 56.18 1gcf s GLN 103 Cb 0.00 0.09 0.01 0.00 1.00 0.00 0.00 33.01 34.11 1gcf s GLN 103 CO 0.00 -0.13 0.20 -0.11 -2.12 0.00 0.00 175.29 173.13 1gcf n LEU 104 N 3.83 0.00 -4.37 2.90 0.00 -0.90 -5.00 117.00 113.46 1gcf n LEU 104 Ca -0.20 -0.90 -0.35 0.00 0.00 0.00 0.00 56.01 54.55 1gcf n LEU 104 Cb 0.56 0.99 -0.13 0.00 0.00 0.00 0.00 43.42 44.84 1gcf n LEU 104 CO 0.07 -0.24 -0.35 -0.13 0.00 0.00 0.00 177.39 176.75 1gcf s ARG 105 N -2.17 3.50 0.00 1.96 3.00 -1.26 -1.64 118.95 122.33 1gcf s ARG 105 Ca 0.08 -0.56 0.00 0.00 0.00 0.00 0.00 55.73 55.24 1gcf s ARG 105 Cb -0.01 -3.12 0.00 0.00 0.00 0.00 0.00 34.95 31.83 1gcf s ARG 105 CO 0.06 -0.16 0.00 -0.35 0.00 0.00 0.00 175.30 174.84 1gcf n PRO 106 N 4.76 1.69 -0.96 3.54 -0.04 -1.26 -4.95 135.00 137.77 1gcf n PRO 106 Ca -0.17 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 62.95 1gcf n PRO 106 Cb 0.51 0.00 0.04 0.00 -0.04 0.00 0.00 33.50 34.01 1gcf n PRO 106 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1gcf n THR 107 N -0.08 0.00 0.52 0.52 -2.24 -1.26 -4.77 114.28 106.97 1gcf n THR 107 Ca 0.00 -0.47 0.12 0.00 -2.27 0.00 0.00 64.05 61.43 1gcf n THR 107 Cb 0.00 0.00 0.46 0.00 -2.10 0.00 0.00 70.33 68.69 1gcf n THR 107 CO 0.00 0.00 0.00 1.15 -0.57 0.00 0.00 175.07 175.65 1gcf n MET 108 N 2.27 0.19 0.00 -0.78 0.00 -1.26 -5.08 117.12 112.46 1gcf n MET 108 Ca -0.01 0.31 0.08 0.00 0.00 0.00 0.00 57.70 58.08 1gcf n MET 108 Cb 0.52 -1.80 0.49 0.00 0.00 0.00 0.00 33.22 32.43 1gcf n MET 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60