#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gcf n SER 2 N 0.00 0.00 -1.53 1.61 3.41 -1.26 -5.15 113.62 110.69 1gcf n SER 2 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1gcf n SER 2 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1gcf n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1gcf n SER 3 N 0.06 -8.33 -0.21 4.04 2.88 -1.26 -5.05 113.62 105.75 1gcf n SER 3 Ca 0.00 1.20 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1gcf n SER 3 Cb 0.00 -4.57 0.00 0.00 -0.75 0.00 0.00 64.21 58.89 1gcf n SER 3 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 1gcf n LEU 4 N -0.83 0.00 -0.04 2.46 4.77 -1.26 -5.08 117.00 117.01 1gcf n LEU 4 Ca 0.00 0.00 -0.03 0.00 -0.03 0.00 0.00 56.01 55.95 1gcf n LEU 4 Cb 0.00 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.08 1gcf n LEU 4 CO 0.00 -0.01 -0.24 -0.62 -1.33 0.00 0.00 177.39 175.19 1gcf n GLU 5 N -0.02 0.27 -2.53 3.23 -0.58 -1.26 -4.67 120.64 115.09 1gcf n GLU 5 Ca 0.00 0.36 -0.42 0.00 -0.42 0.00 0.00 57.16 56.68 1gcf n GLU 5 Cb 0.00 -1.26 -0.03 0.00 -0.57 0.00 0.00 31.44 29.59 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 -1.80 3.39 0.45 3.49 0.04 -1.26 -4.64 135.00 134.66 1gcf s PRO 6 Ca -0.10 0.19 0.02 0.00 0.04 0.00 0.00 61.00 61.15 1gcf s PRO 6 Cb 0.01 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.48 1gcf s PRO 6 CO 0.15 -1.85 0.65 -1.25 0.04 0.00 0.00 177.00 174.73 1gcf s PRO 7 N 5.27 2.96 0.12 0.56 0.04 -1.26 -4.52 135.00 138.17 1gcf s PRO 7 Ca 0.44 -0.70 -0.02 0.00 0.04 0.00 0.00 61.00 60.76 1gcf s PRO 7 Cb -0.08 -2.61 -0.05 0.00 0.04 0.00 0.00 34.50 31.80 1gcf s PRO 7 CO 0.23 -0.29 0.31 1.41 0.04 0.00 0.00 177.00 178.70 1gcf s MET 8 N -4.51 3.53 -0.09 4.56 1.75 -1.11 -4.75 119.30 118.68 1gcf s MET 8 Ca 0.50 -0.28 0.01 0.00 -1.25 0.00 0.00 55.69 54.66 1gcf s MET 8 Cb -0.10 -2.92 -0.02 0.00 2.84 0.00 0.00 34.83 34.62 1gcf s MET 8 CO 0.36 0.51 -0.10 -1.17 -0.65 0.00 0.00 175.02 173.98 1gcf s LEU 9 N -2.73 2.96 0.16 4.11 1.98 -1.26 -1.20 118.68 122.70 1gcf s LEU 9 Ca 0.38 -0.16 -0.10 0.00 -2.89 0.00 0.00 54.13 51.36 1gcf s LEU 9 Cb -0.12 -1.65 -0.00 0.00 0.66 0.00 0.00 46.19 45.08 1gcf s LEU 9 CO 0.27 0.28 0.31 -1.58 -1.89 0.00 0.00 176.35 173.74 1gcf s GLN 10 N -0.31 1.16 0.49 1.98 2.00 -1.07 -4.93 119.66 118.99 1gcf s GLN 10 Ca 0.04 -1.10 -0.03 0.00 -2.00 0.00 0.00 55.36 52.27 1gcf s GLN 10 Cb -0.13 0.40 0.10 0.00 0.80 0.00 0.00 33.01 34.18 1gcf s GLN 10 CO 0.02 -0.43 0.68 0.00 -0.50 0.00 0.00 175.29 175.06 1gcf n ALA 11 N -0.22 -0.14 -2.55 1.58 0.00 -1.26 -2.46 120.51 115.45 1gcf n ALA 11 Ca -0.09 -1.19 -0.25 0.00 0.00 0.00 0.00 53.44 51.92 1gcf n ALA 11 Cb 0.63 0.14 -0.09 0.00 0.00 0.00 0.00 19.45 20.13 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 2.89 -0.32 0.00 2.96 0.05 -4.64 118.68 119.62 1gcf s LEU 12 Ca 0.43 -0.76 -0.17 0.00 -0.22 0.00 0.00 54.13 53.40 1gcf s LEU 12 Cb -0.02 -1.47 -0.01 0.00 0.50 0.00 0.00 46.19 45.19 1gcf s LEU 12 CO 0.29 0.05 0.48 -0.62 -1.32 0.00 0.00 176.35 175.23 1gcf s ASP 13 N -3.33 6.32 0.38 3.68 2.15 -1.26 -4.85 116.67 119.76 1gcf s ASP 13 Ca 0.28 0.13 0.06 0.00 0.43 0.00 0.00 52.55 53.45 1gcf s ASP 13 Cb -0.07 -2.26 -0.07 0.00 -0.30 0.00 0.00 42.92 40.22 1gcf s ASP 13 CO 0.16 -0.38 0.02 -0.63 -0.17 0.00 0.00 175.17 174.17 1gcf s ILE 14 N 2.30 1.74 -0.48 4.11 -1.09 -1.26 -5.05 121.20 121.47 1gcf s ILE 14 Ca 0.18 -2.01 0.00 0.00 -2.23 0.00 0.00 60.65 56.59 1gcf s ILE 14 Cb -0.16 -2.91 0.00 0.00 -1.58 0.00 0.00 42.46 37.81 1gcf s ILE 14 CO 0.12 -0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.43 1gcf n GLY 15 N -0.87 -0.86 1.37 6.18 0.00 -1.26 -4.97 105.19 104.79 1gcf n GLY 15 Ca -0.04 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.78 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 1.04 -2.72 1.61 -0.04 -1.26 -4.21 135.00 129.43 1gcf n PRO 16 Ca 0.00 -0.09 -0.06 0.00 -0.04 0.00 0.00 63.50 63.31 1gcf n PRO 16 Cb 0.00 -1.03 0.05 0.00 -0.04 0.00 0.00 33.50 32.48 1gcf n PRO 16 CO 0.00 0.00 0.00 -3.47 -0.04 0.00 0.00 175.50 171.99 1gcf n ASP 17 N 1.13 -2.31 -2.81 3.54 2.03 -1.26 -5.03 116.55 111.84 1gcf n ASP 17 Ca 0.02 -2.60 -0.24 0.00 0.52 0.00 0.00 54.79 52.50 1gcf n ASP 17 Cb 0.51 1.37 -0.02 0.00 -0.72 0.00 0.00 41.12 42.27 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1gcf n VAL 18 N 1.78 2.11 0.00 5.18 3.14 -1.26 -5.03 118.33 124.25 1gcf n VAL 18 Ca 0.07 -4.94 0.00 0.00 -2.96 0.00 0.00 64.34 56.51 1gcf n VAL 18 Cb 0.65 -0.94 0.00 0.00 -1.06 0.00 0.00 33.84 32.49 1gcf n VAL 18 CO 0.00 0.00 0.00 0.52 -6.46 0.00 0.00 176.83 170.89 1gcf n VAL 19 N -0.21 0.00 -2.72 1.55 0.31 -1.26 -4.28 118.33 111.71 1gcf n VAL 19 Ca 0.30 0.00 -0.08 0.00 -0.01 0.00 0.00 64.34 64.54 1gcf n VAL 19 Cb 0.56 0.00 0.08 0.00 -0.91 0.00 0.00 33.84 33.58 1gcf n VAL 19 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1gcf n SER 20 N 5.75 -0.94 0.00 4.52 7.64 -1.26 -5.07 113.62 124.26 1gcf n SER 20 Ca 0.00 -2.73 0.00 0.00 1.01 0.00 0.00 58.87 57.15 1gcf n SER 20 Cb 0.00 0.64 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 1gcf n SER 20 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gcf n HIS 21 N -0.28 0.00 -3.03 1.43 1.44 -1.26 -5.08 115.22 108.44 1gcf n HIS 21 Ca 0.03 0.00 -0.15 0.00 -2.01 0.00 0.00 57.72 55.59 1gcf n HIS 21 Cb 0.81 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.93 1gcf n HIS 21 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1gcf n GLN 22 N 0.00 1.00 0.00 -1.40 -0.00 -1.26 -4.91 117.38 110.81 1gcf n GLN 22 Ca 0.00 -2.94 0.08 0.00 -0.00 0.00 0.00 57.00 54.14 1gcf n GLN 22 Cb 0.00 -1.47 0.48 0.00 -0.00 0.00 0.00 30.24 29.25 1gcf n GLN 22 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 1gcf n PRO 23 N 0.27 0.91 0.00 2.61 -0.04 -1.26 -4.76 135.00 132.74 1gcf n PRO 23 Ca 0.18 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.64 1gcf n PRO 23 Cb 0.68 -1.28 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 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 0.64 1.31 3.46 0.55 0.00 -1.26 -4.95 105.19 104.94 1gcf n GLY 24 Ca 0.12 -0.29 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 0.00 2.39 -0.05 0.00 1.43 -0.50 -4.03 118.68 117.92 1gcf s LEU 26 Ca 0.26 -1.09 -0.01 0.00 -1.03 0.00 0.00 54.13 52.26 1gcf s LEU 26 Cb -0.02 -0.30 0.03 0.00 0.03 0.00 0.00 46.19 45.93 1gcf s LEU 26 CO 0.19 -0.41 0.03 0.26 0.23 0.00 0.00 176.35 176.65 1gcf s TRP 27 N -3.38 0.38 0.33 0.29 0.51 -1.26 -2.66 118.94 113.14 1gcf s TRP 27 Ca 0.21 0.03 0.02 0.00 -2.12 0.00 0.00 56.10 54.24 1gcf s TRP 27 Cb 0.04 -0.62 0.02 0.00 -0.81 0.00 0.00 33.47 32.10 1gcf s TRP 27 CO 0.03 -0.25 0.21 1.28 -0.51 0.00 0.00 176.95 177.71 1gcf n LEU 28 N 5.10 0.00 0.00 2.99 4.77 -0.52 -0.77 117.00 128.57 1gcf n LEU 28 Ca -0.07 -1.78 0.00 0.00 -0.03 0.00 0.00 56.01 54.12 1gcf n LEU 28 Cb 0.50 0.02 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1gcf n LEU 28 CO 0.10 -0.43 0.00 -1.54 -1.33 0.00 0.00 177.39 174.19 1gcf n SER 29 N -1.78 0.00 -4.11 -1.43 3.41 -1.03 -1.11 113.62 107.57 1gcf n SER 29 Ca -0.03 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.29 1gcf n SER 29 Cb 0.38 0.00 -0.17 0.00 -0.26 0.00 0.00 64.21 64.17 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 1.98 -0.09 7.33 -2.14 -1.18 -2.58 118.94 122.26 1gcf s TRP 30 Ca 0.00 -0.80 -0.07 0.00 2.66 0.00 0.00 56.10 57.88 1gcf s TRP 30 Cb 0.00 -1.38 0.03 0.00 -3.10 0.00 0.00 33.47 29.02 1gcf s TRP 30 CO 0.00 -0.36 0.24 -1.59 -2.66 0.00 0.00 176.95 172.57 1gcf s LYS 31 N 0.57 0.25 0.00 3.25 -2.85 -0.34 -2.25 119.74 118.38 1gcf s LYS 31 Ca -0.15 0.39 0.00 0.00 -1.00 0.00 0.00 55.97 55.20 1gcf s LYS 31 Cb -0.17 0.06 0.00 0.00 -2.06 0.00 0.00 37.83 35.66 1gcf s LYS 31 CO 0.05 -0.07 0.00 -0.35 0.10 0.00 0.00 175.35 175.08 1gcf n PRO 32 N 3.33 1.02 0.00 1.78 -0.04 -1.26 -2.74 135.00 137.09 1gcf n PRO 32 Ca -0.16 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.30 1gcf n PRO 32 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 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 -0.10 0.00 -4.49 0.54 2.14 -1.26 -4.83 117.44 109.43 1gcf n TRP 33 Ca 0.00 0.00 -0.21 0.00 2.07 0.00 0.00 57.50 59.36 1gcf n TRP 33 Cb 0.00 0.00 -0.15 0.00 -0.81 0.00 0.00 31.31 30.35 1gcf n TRP 33 CO 0.00 0.00 0.00 -1.59 2.07 0.00 0.00 177.69 178.17 1gcf s LYS 34 N -0.57 0.96 -0.70 -2.67 0.00 -1.26 -5.09 119.74 110.41 1gcf s LYS 34 Ca 0.00 -0.49 -0.27 0.00 0.00 0.00 0.00 55.97 55.21 1gcf s LYS 34 Cb 0.00 -0.93 0.02 0.00 0.00 0.00 0.00 37.83 36.92 1gcf s LYS 34 CO 0.00 0.25 1.44 -1.25 0.00 0.00 0.00 175.35 175.79 1gcf s PRO 35 N -0.46 3.05 -0.38 1.78 0.04 -1.26 -4.77 135.00 133.00 1gcf s PRO 35 Ca 0.04 0.01 0.11 0.00 0.04 0.00 0.00 61.00 61.21 1gcf s PRO 35 Cb -0.05 -4.23 0.41 0.00 0.04 0.00 0.00 34.50 30.66 1gcf s PRO 35 CO -0.00 -2.29 1.27 -1.13 0.04 0.00 0.00 177.00 174.89 1gcf n SER 36 N 10.27 -1.09 0.00 6.66 3.41 -1.26 -5.06 113.62 126.54 1gcf n SER 36 Ca 0.08 -2.50 0.00 0.00 -0.26 0.00 0.00 58.87 56.19 1gcf n SER 36 Cb 0.50 0.64 0.00 0.00 -0.26 0.00 0.00 64.21 65.09 1gcf n SER 36 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1gcf n GLU 37 N -0.51 0.00 0.00 4.33 -0.58 -1.26 -5.15 120.64 117.47 1gcf n GLU 37 Ca -0.01 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1gcf n GLU 37 Cb 0.84 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.71 1gcf n GLU 37 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 1gcf n TYR 38 N 0.00 0.00 0.04 -0.32 4.02 -1.26 -5.11 117.16 114.53 1gcf n TYR 38 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.89 1gcf n TYR 38 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.32 1gcf n TYR 38 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 176.86 174.52 1gcf n MET 39 N 0.00 0.00 -3.65 -0.72 2.81 -1.26 -4.77 117.12 109.53 1gcf n MET 39 Ca 0.00 0.00 -0.11 0.00 -1.81 0.00 0.00 57.70 55.78 1gcf n MET 39 Cb 0.00 -0.27 -0.11 0.00 -0.71 0.00 0.00 33.22 32.12 1gcf n MET 39 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 1gcf s GLU 40 N -1.66 0.24 0.00 0.03 2.02 -1.26 -4.61 118.70 113.45 1gcf s GLU 40 Ca 0.00 0.87 0.00 0.00 0.02 0.00 0.00 54.97 55.86 1gcf s GLU 40 Cb 0.00 0.10 0.00 0.00 0.10 0.00 0.00 34.13 34.33 1gcf s GLU 40 CO 0.00 -0.29 0.00 0.00 0.02 0.00 0.00 175.26 174.99 1gcf n GLN 41 N 5.37 0.00 0.00 1.61 10.64 -1.26 -3.49 117.38 130.25 1gcf n GLN 41 Ca -0.07 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.10 1gcf n GLN 41 Cb 0.50 -0.43 0.00 0.00 -0.86 0.00 0.00 30.24 29.45 1gcf n GLN 41 CO 0.00 0.00 0.00 -1.91 -1.83 0.00 0.00 177.06 173.32 1gcf n GLU 42 N -0.76 0.00 -3.78 2.61 4.07 -1.26 -3.45 120.64 118.07 1gcf n GLU 42 Ca 0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1gcf n GLU 42 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 1gcf n GLU 42 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1gcf s GLU 44 N -1.39 1.92 0.20 0.00 -1.05 -0.60 -3.03 118.70 114.76 1gcf s GLU 44 Ca -0.13 -2.03 0.09 0.00 -0.15 0.00 0.00 54.97 52.75 1gcf s GLU 44 Cb -0.05 -1.69 -0.04 0.00 -0.44 0.00 0.00 34.13 31.91 1gcf s GLU 44 CO 0.04 0.02 -0.06 -1.17 0.95 0.00 0.00 175.26 175.03 1gcf s LEU 45 N -3.68 3.06 0.00 1.83 2.96 -0.42 -2.90 118.68 119.52 1gcf s LEU 45 Ca 0.34 -0.57 0.03 0.00 -0.22 0.00 0.00 54.13 53.71 1gcf s LEU 45 Cb 0.07 -1.70 -0.01 0.00 0.50 0.00 0.00 46.19 45.04 1gcf s LEU 45 CO 0.18 0.08 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.59 1gcf s ARG 46 N -3.03 0.74 -0.27 1.98 3.52 -0.76 -1.29 118.95 119.83 1gcf s ARG 46 Ca 0.27 -0.40 -0.05 0.00 -0.13 0.00 0.00 55.73 55.41 1gcf s ARG 46 Cb -0.08 -0.70 0.15 0.00 -1.56 0.00 0.00 34.95 32.75 1gcf s ARG 46 CO 0.17 0.19 0.55 1.52 -0.81 0.00 0.00 175.30 176.91 1gcf s TYR 47 N -0.37 -1.27 0.07 5.12 1.13 -1.02 -1.30 117.35 119.71 1gcf s TYR 47 Ca 0.02 1.72 0.08 0.00 -1.41 0.00 0.00 57.07 57.48 1gcf s TYR 47 Cb -0.04 0.50 -0.04 0.00 -1.10 0.00 0.00 41.96 41.29 1gcf s TYR 47 CO -0.00 -0.73 -0.18 1.14 -2.51 0.00 0.00 175.55 173.27 1gcf s GLN 48 N 2.78 1.96 -0.69 -3.49 1.03 -0.49 -2.89 119.66 117.86 1gcf s GLN 48 Ca 0.08 -1.06 -0.27 0.00 0.04 0.00 0.00 55.36 54.15 1gcf s GLN 48 Cb -0.14 -2.16 0.01 0.00 0.03 0.00 0.00 33.01 30.76 1gcf s GLN 48 CO -0.18 0.52 1.51 -1.25 -2.54 0.00 0.00 175.29 173.34 1gcf s PRO 49 N -1.71 2.97 -0.34 9.60 0.04 -1.26 -1.53 135.00 142.76 1gcf s PRO 49 Ca 0.16 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.99 1gcf s PRO 49 Cb -0.11 -4.28 -0.01 0.00 0.04 0.00 0.00 34.50 30.15 1gcf s PRO 49 CO 0.07 -2.38 1.71 -1.14 0.04 0.00 0.00 177.00 175.30 1gcf s GLN 50 N 6.24 3.41 0.00 4.56 0.74 0.31 -4.58 119.66 130.34 1gcf s GLN 50 Ca 0.48 1.34 0.00 0.00 0.05 0.00 0.00 55.36 57.23 1gcf s GLN 50 Cb -0.10 -4.16 0.00 0.00 1.10 0.00 0.00 33.01 29.86 1gcf s GLN 50 CO 0.17 -1.77 0.00 1.47 -0.55 0.00 0.00 175.29 174.61 1gcf n LEU 51 N 9.90 0.00 -0.17 3.68 -0.00 -1.26 -3.19 117.00 125.96 1gcf n LEU 51 Ca 0.21 0.00 -0.02 0.00 -0.00 0.00 0.00 56.01 56.21 1gcf n LEU 51 Cb 0.47 0.00 0.06 0.00 -0.00 0.00 0.00 43.42 43.95 1gcf n LEU 51 CO 0.69 0.00 0.82 0.50 -0.00 0.00 0.00 177.39 179.40 1gcf h LYS 52 N 0.00 0.08 0.00 1.47 3.11 -1.96 -3.44 116.57 115.82 1gcf h LYS 52 Ca 0.00 -0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1gcf h LYS 52 Cb 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 32.23 31.21 1gcf h LYS 52 CO 0.00 0.05 0.00 0.41 -2.81 0.00 0.00 179.45 177.10 1gcf n GLY 53 N -1.34 5.36 0.00 5.01 0.00 -1.26 -5.18 105.19 107.78 1gcf n GLY 53 Ca 0.06 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.71 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 -0.00 4.61 0.00 -1.26 -4.70 120.51 116.15 1gcf n ALA 54 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1gcf n ALA 54 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 1gcf n ALA 54 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1gcf n ASN 55 N 0.00 4.16 -1.81 0.00 5.03 -1.26 -5.07 115.26 116.31 1gcf n ASN 55 Ca 0.00 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.45 1gcf n ASN 55 Cb 0.00 1.10 0.00 0.00 -1.02 0.00 0.00 39.78 39.86 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 -1.83 0.00 0.00 177.26 176.22 1gcf n TRP 56 N -1.69 -4.06 -4.29 3.10 7.02 -1.26 -5.03 117.44 111.23 1gcf n TRP 56 Ca -0.01 2.45 -0.30 0.00 -1.02 0.00 0.00 57.50 58.62 1gcf n TRP 56 Cb 0.16 -3.40 -0.11 0.00 -2.42 0.00 0.00 31.31 25.53 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 -0.43 3.02 0.20 -0.99 2.01 -1.14 -4.97 115.64 113.34 1gcf s THR 57 Ca 0.00 -1.41 0.08 0.00 0.31 0.00 0.00 61.69 60.67 1gcf s THR 57 Cb 0.00 -2.39 -0.05 0.00 0.01 0.00 0.00 72.50 70.08 1gcf s THR 57 CO 0.00 0.11 -0.15 -0.76 -0.69 0.00 0.00 174.62 173.14 1gcf s LEU 58 N -2.13 2.55 -0.02 4.42 1.43 -1.26 -2.43 118.68 121.24 1gcf s LEU 58 Ca 0.19 -1.01 0.01 0.00 -1.03 0.00 0.00 54.13 52.28 1gcf s LEU 58 Cb -0.11 -0.69 0.01 0.00 0.03 0.00 0.00 46.19 45.44 1gcf s LEU 58 CO 0.11 -0.16 -0.02 -0.69 0.23 0.00 0.00 176.35 175.82 1gcf s VAL 59 N -2.93 0.25 0.00 -1.59 1.01 -0.41 -4.99 120.40 111.75 1gcf s VAL 59 Ca 0.22 -0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.15 1gcf s VAL 59 Cb -0.01 -0.27 0.00 0.00 0.00 0.00 0.00 36.38 36.10 1gcf s VAL 59 CO 0.07 0.11 0.00 0.49 0.00 0.00 0.00 175.10 175.77 1gcf n PHE 60 N 3.50 -0.10 -3.86 5.22 3.72 -1.26 -1.30 117.46 123.38 1gcf n PHE 60 Ca -0.19 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 56.95 1gcf n PHE 60 Cb 0.55 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 39.10 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 -0.03 -1.97 -4.11 1.38 8.25 -1.26 -4.89 115.22 112.57 1gcf n HIS 61 Ca 0.00 0.84 -0.32 0.00 -0.26 0.00 0.00 57.72 57.98 1gcf n HIS 61 Cb 0.00 -4.02 -0.07 0.00 1.12 0.00 0.00 29.99 27.02 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 -6.98 3.82 0.97 2.41 1.02 -1.17 -5.09 118.68 113.68 1gcf s LEU 62 Ca 0.27 0.09 -0.15 0.00 0.02 0.00 0.00 54.13 54.37 1gcf s LEU 62 Cb -0.14 -2.28 0.18 0.00 0.02 0.00 0.00 46.19 43.97 1gcf s LEU 62 CO 0.84 0.25 1.20 -2.16 0.02 0.00 0.00 176.35 176.51 1gcf s PRO 63 N -1.85 0.62 -0.03 1.29 0.04 -1.26 -3.87 135.00 129.93 1gcf s PRO 63 Ca 0.24 -0.05 0.06 0.00 0.04 0.00 0.00 61.00 61.29 1gcf s PRO 63 Cb -0.12 -1.81 0.23 0.00 0.04 0.00 0.00 34.50 32.84 1gcf s PRO 63 CO 0.15 -2.49 1.05 -1.13 0.04 0.00 0.00 177.00 174.62 1gcf n SER 64 N -3.90 1.83 0.00 6.66 3.41 -1.26 -4.54 113.62 115.81 1gcf n SER 64 Ca 0.11 -2.14 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 1gcf n SER 64 Cb 0.60 -0.34 0.00 0.00 -0.26 0.00 0.00 64.21 64.20 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 0.19 0.00 -4.86 4.04 3.41 -1.26 -4.10 113.62 111.05 1gcf n SER 65 Ca 0.08 0.00 -0.35 0.00 -0.26 0.00 0.00 58.87 58.34 1gcf n SER 65 Cb 0.36 0.00 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 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 3.87 -0.11 4.33 2.47 -0.95 -4.94 119.74 124.40 1gcf s LYS 66 Ca 0.00 0.34 -0.04 0.00 -1.56 0.00 0.00 55.97 54.71 1gcf s LYS 66 Cb 0.00 -2.96 -0.02 0.00 -1.46 0.00 0.00 37.83 33.40 1gcf s LYS 66 CO 0.00 0.51 -0.03 -0.44 0.16 0.00 0.00 175.35 175.56 1gcf h ASP 67 N 3.61 0.00 -1.95 1.43 5.19 -1.89 -3.12 116.42 119.69 1gcf h ASP 67 Ca -0.49 -0.03 -0.52 0.00 -0.62 0.00 0.00 57.03 55.37 1gcf h ASP 67 Cb 1.19 0.00 -0.35 0.00 0.18 0.00 0.00 39.33 40.35 1gcf h ASP 67 CO 0.66 0.60 -0.95 0.00 -3.12 0.00 0.00 179.24 176.43 1gcf n GLN 68 N -4.72 0.45 -1.54 3.56 6.02 -1.26 -4.63 117.38 115.25 1gcf n GLN 68 Ca -0.03 -2.99 -0.45 0.00 -0.01 0.00 0.00 57.00 53.52 1gcf n GLN 68 Cb 0.10 -1.47 -0.01 0.00 1.02 0.00 0.00 30.24 29.87 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 2.23 0.79 -3.83 1.08 -0.00 -0.27 -4.70 117.46 112.77 1gcf n PHE 69 Ca 0.24 0.74 -0.30 0.00 -0.00 0.00 0.00 57.45 58.13 1gcf n PHE 69 Cb 0.52 -2.17 -0.15 0.00 -0.00 0.00 0.00 39.48 37.67 1gcf n PHE 69 CO 0.00 0.00 0.00 -1.21 -0.00 0.00 0.00 176.76 175.55 1gcf s GLU 70 N -1.48 1.03 -0.13 -4.13 2.02 -1.26 -1.44 118.70 113.32 1gcf s GLU 70 Ca 0.60 -1.11 -0.02 0.00 0.02 0.00 0.00 54.97 54.46 1gcf s GLU 70 Cb -0.73 -2.34 -0.03 0.00 0.10 0.00 0.00 34.13 31.13 1gcf s GLU 70 CO 0.59 -0.85 -0.06 -1.17 0.02 0.00 0.00 175.26 173.79 1gcf s LEU 71 N 1.48 3.17 0.10 1.80 2.96 -1.09 -4.98 118.68 122.12 1gcf s LEU 71 Ca 0.05 -0.13 0.09 0.00 -0.22 0.00 0.00 54.13 53.92 1gcf s LEU 71 Cb -0.18 -1.74 -0.04 0.00 0.50 0.00 0.00 46.19 44.74 1gcf s LEU 71 CO -0.16 0.21 -0.22 0.00 -1.32 0.00 0.00 176.35 174.87 1gcf n GLY 73 N 1.10 0.65 0.80 0.00 0.00 -1.26 -5.04 105.19 101.45 1gcf n GLY 73 Ca -0.19 -0.30 0.05 0.00 0.00 0.00 0.00 46.02 45.58 1gcf n GLY 73 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1gcf n LEU 74 N 0.00 1.63 -4.41 0.99 4.77 -1.26 -4.95 117.00 113.77 1gcf n LEU 74 Ca 0.00 -2.65 -0.43 0.00 -0.03 0.00 0.00 56.01 52.89 1gcf n LEU 74 Cb 0.00 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 1gcf n LEU 74 CO 0.00 0.80 1.69 0.00 -1.33 0.00 0.00 177.39 178.55 1gcf n HIS 75 N -0.44 4.63 0.00 -1.77 1.44 -1.26 -4.16 115.22 113.66 1gcf n HIS 75 Ca 0.11 -3.13 0.00 0.00 -2.01 0.00 0.00 57.72 52.69 1gcf n HIS 75 Cb 0.84 -2.32 0.00 0.00 0.12 0.00 0.00 29.99 28.63 1gcf n HIS 75 CO 0.00 0.00 0.00 0.94 -2.81 0.00 0.00 176.34 174.47 1gcf n GLN 76 N 6.34 0.00 -4.33 -1.40 7.27 -1.26 -5.13 117.38 118.87 1gcf n GLN 76 Ca 0.42 0.00 -0.24 0.00 0.07 0.00 0.00 57.00 57.24 1gcf n GLN 76 Cb 0.43 -0.18 -0.08 0.00 2.41 0.00 0.00 30.24 32.82 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1gcf s ALA 77 N -1.00 3.02 0.13 1.69 0.00 -1.26 -4.99 121.76 119.35 1gcf s ALA 77 Ca 0.00 -1.65 -0.03 0.00 0.00 0.00 0.00 51.96 50.28 1gcf s ALA 77 Cb 0.00 -0.66 -0.08 0.00 0.00 0.00 0.00 23.12 22.38 1gcf s ALA 77 CO 0.00 0.32 1.31 -1.00 0.00 0.00 0.00 175.76 176.40 1gcf h PRO 78 N 2.25 0.38 -4.39 0.00 0.13 -1.94 -3.44 132.00 124.98 1gcf h PRO 78 Ca -0.44 -0.41 -0.39 0.00 -0.87 0.00 0.00 66.00 63.89 1gcf h PRO 78 Cb 1.24 0.12 -0.31 0.00 0.13 0.00 0.00 31.00 32.18 1gcf h PRO 78 CO 0.58 1.08 -0.77 0.54 -0.23 0.00 0.00 178.00 179.20 1gcf s VAL 79 N -3.26 0.62 -0.04 1.56 0.11 -1.19 -4.67 120.40 113.53 1gcf s VAL 79 Ca -0.05 -0.27 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 1gcf s VAL 79 Cb 0.09 -0.57 -0.03 0.00 -1.53 0.00 0.00 36.38 34.34 1gcf s VAL 79 CO 0.86 0.21 -0.04 -0.31 -3.33 0.00 0.00 175.10 172.49 1gcf s TYR 80 N 0.26 3.00 0.09 1.54 1.51 -0.83 -0.53 117.35 122.39 1gcf s TYR 80 Ca -0.04 0.05 0.06 0.00 -1.01 0.00 0.00 57.07 56.13 1gcf s TYR 80 Cb -0.08 -1.69 -0.04 0.00 -0.11 0.00 0.00 41.96 40.04 1gcf s TYR 80 CO 0.00 0.40 -0.04 0.99 -1.11 0.00 0.00 175.55 175.79 1gcf s THR 81 N -0.94 3.76 -0.06 -0.71 2.01 -0.58 -2.47 115.64 116.65 1gcf s THR 81 Ca 0.15 -1.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.04 1gcf s THR 81 Cb -0.11 -2.77 0.02 0.00 0.01 0.00 0.00 72.50 69.65 1gcf s THR 81 CO 0.05 0.14 0.14 -0.76 -0.69 0.00 0.00 174.62 173.50 1gcf s LEU 82 N -2.21 1.18 0.00 4.42 1.02 -0.68 -1.39 118.68 121.02 1gcf s LEU 82 Ca 0.24 0.29 0.02 0.00 0.02 0.00 0.00 54.13 54.70 1gcf s LEU 82 Cb -0.11 0.44 -0.01 0.00 0.02 0.00 0.00 46.19 46.53 1gcf s LEU 82 CO 0.16 -0.09 0.07 1.67 0.02 0.00 0.00 176.35 178.18 1gcf n GLN 83 N 3.45 0.75 -3.77 1.70 -0.06 -0.42 -1.75 117.38 117.28 1gcf n GLN 83 Ca -0.18 -3.16 -0.14 0.00 -2.00 0.00 0.00 57.00 51.53 1gcf n GLN 83 Cb 0.56 1.31 -0.15 0.00 -4.06 0.00 0.00 30.24 27.90 1gcf n GLN 83 CO 0.00 0.00 0.00 1.41 -0.20 0.00 0.00 177.06 178.27 1gcf s MET 84 N -3.49 0.02 -0.10 3.69 1.75 -1.19 -1.84 119.30 118.15 1gcf s MET 84 Ca 0.10 0.25 0.03 0.00 -1.25 0.00 0.00 55.69 54.82 1gcf s MET 84 Cb 0.00 -0.20 0.01 0.00 2.84 0.00 0.00 34.83 37.48 1gcf s MET 84 CO 0.07 -0.16 -0.17 0.50 -0.65 0.00 0.00 175.02 174.61 1gcf s ARG 85 N 1.04 2.37 0.51 4.11 3.52 -1.14 -1.19 118.95 128.16 1gcf s ARG 85 Ca -0.08 -0.63 0.06 0.00 -0.13 0.00 0.00 55.73 54.95 1gcf s ARG 85 Cb -0.12 -1.91 0.02 0.00 -1.56 0.00 0.00 34.95 31.38 1gcf s ARG 85 CO -0.04 0.03 0.39 0.00 -0.81 0.00 0.00 175.30 174.87 1gcf n ILE 87 N -1.69 0.00 -2.71 0.00 3.06 -1.08 -3.53 119.36 113.42 1gcf n ILE 87 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 1gcf n ILE 87 Cb 0.64 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.82 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 0.00 -2.81 9.51 5.12 -1.22 -4.66 116.66 122.59 1gcf n ARG 88 Ca 0.00 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 55.81 1gcf n ARG 88 Cb 0.00 0.00 0.03 0.00 -1.16 0.00 0.00 32.46 31.33 1gcf n ARG 88 CO 0.00 0.00 0.00 0.43 -1.93 0.00 0.00 177.63 176.13 1gcf n SER 89 N 0.00 0.74 0.00 0.55 7.64 -1.23 -4.10 113.62 117.22 1gcf n SER 89 Ca 0.00 -2.82 0.00 0.00 1.01 0.00 0.00 58.87 57.06 1gcf n SER 89 Cb 0.00 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 62.93 1gcf n SER 89 CO 0.00 0.00 0.00 -1.54 -3.01 0.00 0.00 175.04 170.49 1gcf n SER 90 N -0.00 0.00 -3.52 6.43 3.41 -1.26 -5.05 113.62 113.62 1gcf n SER 90 Ca 0.12 0.00 -0.28 0.00 -0.26 0.00 0.00 58.87 58.45 1gcf n SER 90 Cb 0.77 0.02 -0.11 0.00 -0.26 0.00 0.00 64.21 64.63 1gcf n SER 90 CO 0.00 0.00 0.00 -1.48 -0.16 0.00 0.00 175.04 173.40 1gcf s LEU 91 N -2.60 1.92 0.02 1.04 -0.00 -1.26 -5.10 118.68 112.70 1gcf s LEU 91 Ca 0.00 -2.88 -0.30 0.00 -0.00 0.00 0.00 54.13 50.94 1gcf s LEU 91 Cb 0.00 -0.67 -0.05 0.00 -0.00 0.00 0.00 46.19 45.48 1gcf s LEU 91 CO 0.00 -0.21 1.15 -2.16 -0.00 0.00 0.00 176.35 175.14 1gcf s PRO 92 N 0.16 4.44 0.00 1.48 0.04 -1.26 -4.61 135.00 135.24 1gcf s PRO 92 Ca 0.26 1.68 0.00 0.00 0.04 0.00 0.00 61.00 62.97 1gcf s PRO 92 Cb -0.08 -3.42 0.00 0.00 0.04 0.00 0.00 34.50 31.04 1gcf s PRO 92 CO -0.11 -0.26 0.00 0.41 0.04 0.00 0.00 177.00 177.07 1gcf n GLY 93 N 3.19 0.13 0.10 0.56 0.00 -1.26 -4.97 105.19 102.94 1gcf n GLY 93 Ca 0.09 -0.01 -0.12 0.00 0.00 0.00 0.00 46.02 45.98 1gcf n GLY 93 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1gcf n PHE 94 N 0.00 0.72 -1.44 1.61 3.01 -1.26 -4.94 117.46 115.15 1gcf n PHE 94 Ca 0.00 0.22 -0.15 0.00 1.01 0.00 0.00 57.45 58.53 1gcf n PHE 94 Cb 0.00 -1.12 -0.07 0.00 -0.01 0.00 0.00 39.48 38.28 1gcf n PHE 94 CO 0.00 0.00 0.00 0.91 1.01 0.00 0.00 176.76 178.68 1gcf n TRP 95 N -3.07 -0.02 -0.81 1.38 7.02 -1.26 -4.69 117.44 115.99 1gcf n TRP 95 Ca -0.26 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.33 1gcf n TRP 95 Cb 1.07 -3.06 -0.03 0.00 -2.42 0.00 0.00 31.31 26.87 1gcf n TRP 95 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 1gcf n SER 96 N -1.21 -4.77 -2.99 -0.99 3.41 -1.23 -4.10 113.62 101.74 1gcf n SER 96 Ca -0.15 0.32 -0.15 0.00 -0.26 0.00 0.00 58.87 58.62 1gcf n SER 96 Cb 0.62 -2.66 0.11 0.00 -0.26 0.00 0.00 64.21 62.02 1gcf n SER 96 CO 0.00 0.00 0.00 -0.81 -0.16 0.00 0.00 175.04 174.07 1gcf n PRO 97 N -2.58 -0.99 -3.27 4.33 -0.04 -1.26 -4.89 135.00 126.30 1gcf n PRO 97 Ca 0.01 -1.02 -0.45 0.00 -0.04 0.00 0.00 63.50 62.00 1gcf n PRO 97 Cb 0.59 -0.73 -0.06 0.00 -0.04 0.00 0.00 33.50 33.26 1gcf n PRO 97 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 1gcf s TRP 98 N -2.38 3.17 0.59 0.54 0.52 -1.26 -4.52 118.94 115.60 1gcf s TRP 98 Ca 0.38 -1.03 -0.18 0.00 0.02 0.00 0.00 56.10 55.29 1gcf s TRP 98 Cb -0.02 -3.64 -0.07 0.00 -1.15 0.00 0.00 33.47 28.60 1gcf s TRP 98 CO 0.27 -1.02 0.73 0.45 0.02 0.00 0.00 176.95 177.40 1gcf n SER 99 N 5.57 -0.21 -4.64 2.95 2.88 -0.33 -4.83 113.62 115.00 1gcf n SER 99 Ca -0.12 0.76 -0.43 0.00 -1.33 0.00 0.00 58.87 57.75 1gcf n SER 99 Cb 0.42 -1.28 -0.02 0.00 -0.75 0.00 0.00 64.21 62.58 1gcf n SER 99 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gcf s PRO 100 N -2.44 4.07 0.00 -1.46 0.04 -1.26 -3.17 135.00 130.78 1gcf s PRO 100 Ca 0.72 1.44 0.00 0.00 0.04 0.00 0.00 61.00 63.20 1gcf s PRO 100 Cb -0.43 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.30 1gcf s PRO 100 CO 0.51 -0.92 0.00 0.41 0.04 0.00 0.00 177.00 177.04 1gcf n GLY 101 N 3.96 0.32 0.00 0.56 0.00 -1.25 -4.87 105.19 103.92 1gcf n GLY 101 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -3.66 0.99 -0.00 -0.72 -5.02 117.00 108.59 1gcf n LEU 102 Ca 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 56.01 55.93 1gcf n LEU 102 Cb 0.00 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.34 1gcf n LEU 102 CO 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 177.39 177.59 1gcf s GLN 103 N -1.37 0.54 0.14 1.47 1.03 -1.26 -1.69 119.66 118.52 1gcf s GLN 103 Ca 0.00 1.08 0.03 0.00 0.04 0.00 0.00 55.36 56.52 1gcf s GLN 103 Cb 0.00 0.19 -0.01 0.00 0.03 0.00 0.00 33.01 33.22 1gcf s GLN 103 CO 0.00 -0.17 0.12 1.28 -2.54 0.00 0.00 175.29 173.98 1gcf n LEU 104 N 4.56 0.00 -4.35 2.60 4.77 -1.03 -4.98 117.00 118.57 1gcf n LEU 104 Ca -0.19 -1.38 -0.36 0.00 -0.03 0.00 0.00 56.01 54.05 1gcf n LEU 104 Cb 0.55 0.74 -0.13 0.00 -2.33 0.00 0.00 43.42 42.25 1gcf n LEU 104 CO 0.01 -0.23 -0.32 -0.13 -1.33 0.00 0.00 177.39 175.39 1gcf s ARG 105 N -2.59 3.33 0.18 3.23 0.52 -1.26 -1.97 118.95 120.39 1gcf s ARG 105 Ca 0.17 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.67 1gcf s ARG 105 Cb 0.01 -3.20 0.04 0.00 0.52 0.00 0.00 34.95 32.32 1gcf s ARG 105 CO 0.12 -0.29 0.23 -0.35 0.02 0.00 0.00 175.30 175.04 1gcf n PRO 106 N 4.84 -0.45 -0.89 3.54 -0.04 -1.26 -4.96 135.00 135.77 1gcf n PRO 106 Ca -0.16 -0.36 -0.30 0.00 -0.04 0.00 0.00 63.50 62.64 1gcf n PRO 106 Cb 0.50 -0.25 0.02 0.00 -0.04 0.00 0.00 33.50 33.73 1gcf n PRO 106 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1gcf n THR 107 N -2.44 0.00 -0.55 0.52 5.66 -1.26 -4.91 114.28 111.30 1gcf n THR 107 Ca 0.03 -0.40 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 1gcf n THR 107 Cb 0.10 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.88 1gcf n THR 107 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1gcf n MET 108 N 1.64 -0.04 0.00 1.09 2.81 -1.26 -5.02 117.12 116.34 1gcf n MET 108 Ca 0.02 -0.39 0.11 0.00 -1.81 0.00 0.00 57.70 55.63 1gcf n MET 108 Cb 0.42 -0.72 0.09 0.00 -0.71 0.00 0.00 33.22 32.29 1gcf n MET 108 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65