#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 -1.76 -3.86 1.61 3.41 -1.26 -5.00 113.62 106.76 1gcf n SER 2 Ca 0.00 -1.98 -0.38 0.00 -0.26 0.00 0.00 58.87 56.25 1gcf n SER 2 Cb 0.00 2.88 0.03 0.00 -0.26 0.00 0.00 64.21 66.86 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 -1.31 -4.82 -0.08 4.04 2.88 -1.26 -4.89 113.62 108.17 1gcf n SER 3 Ca -0.03 -1.14 -0.23 0.00 -1.33 0.00 0.00 58.87 56.15 1gcf n SER 3 Cb 0.56 -2.57 -0.12 0.00 -0.75 0.00 0.00 64.21 61.33 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 -4.52 2.35 -4.00 2.46 4.77 -1.26 -5.04 117.00 111.76 1gcf n LEU 4 Ca -0.10 0.22 -0.11 0.00 -0.03 0.00 0.00 56.01 55.99 1gcf n LEU 4 Cb 0.58 -0.97 -0.04 0.00 -2.33 0.00 0.00 43.42 40.66 1gcf n LEU 4 CO 0.70 0.65 0.21 -1.61 -1.33 0.00 0.00 177.39 176.01 1gcf s GLU 5 N -2.49 1.72 0.98 3.23 2.02 -1.26 -5.17 118.70 117.74 1gcf s GLU 5 Ca -0.30 -1.41 -0.16 0.00 0.02 0.00 0.00 54.97 53.12 1gcf s GLU 5 Cb 0.09 0.48 0.19 0.00 0.10 0.00 0.00 34.13 34.99 1gcf s GLU 5 CO 0.62 -0.73 1.23 -1.25 0.02 0.00 0.00 175.26 175.16 1gcf s PRO 6 N -3.57 0.51 -1.20 0.39 0.04 -1.26 -4.42 135.00 125.50 1gcf s PRO 6 Ca 0.24 -0.15 -0.20 0.00 0.04 0.00 0.00 61.00 60.93 1gcf s PRO 6 Cb -0.01 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.70 1gcf s PRO 6 CO 0.12 -2.54 1.91 -0.35 0.04 0.00 0.00 177.00 176.18 1gcf n PRO 7 N -3.91 2.33 -3.37 0.56 -0.04 -1.11 -4.24 135.00 125.22 1gcf n PRO 7 Ca 0.12 -2.66 -0.40 0.00 -0.04 0.00 0.00 63.50 60.52 1gcf n PRO 7 Cb 0.60 -3.44 -0.09 0.00 -0.04 0.00 0.00 33.50 30.52 1gcf n PRO 7 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 1gcf s MET 8 N 4.93 3.87 -0.15 0.54 1.75 -1.10 -4.81 119.30 124.33 1gcf s MET 8 Ca 0.58 -0.08 0.02 0.00 -1.25 0.00 0.00 55.69 54.96 1gcf s MET 8 Cb 0.06 -3.71 0.01 0.00 2.84 0.00 0.00 34.83 34.03 1gcf s MET 8 CO 0.08 -0.38 -0.20 -1.17 -0.65 0.00 0.00 175.02 172.69 1gcf s LEU 9 N 2.11 2.06 0.00 4.11 1.98 -1.26 -2.47 118.68 125.21 1gcf s LEU 9 Ca 0.15 -0.60 -0.00 0.00 -2.89 0.00 0.00 54.13 50.79 1gcf s LEU 9 Cb -0.16 -1.41 0.00 0.00 0.66 0.00 0.00 46.19 45.28 1gcf s LEU 9 CO 0.11 0.04 0.30 1.67 -1.89 0.00 0.00 176.35 176.58 1gcf n GLN 10 N 4.31 0.43 -0.42 1.98 -0.06 -0.64 -4.98 117.38 118.00 1gcf n GLN 10 Ca -0.20 -1.89 0.00 0.00 -2.00 0.00 0.00 57.00 52.91 1gcf n GLN 10 Cb 0.51 1.77 0.00 0.00 -4.06 0.00 0.00 30.24 28.46 1gcf n GLN 10 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1gcf n ALA 11 N -1.49 0.00 -2.38 1.69 0.00 -1.26 -2.17 120.51 114.89 1gcf n ALA 11 Ca -0.09 0.00 -0.29 0.00 0.00 0.00 0.00 53.44 53.06 1gcf n ALA 11 Cb 0.39 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.70 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 2.28 -0.56 0.00 2.96 0.56 -4.60 118.68 119.33 1gcf s LEU 12 Ca 0.00 -0.71 -0.27 0.00 -0.22 0.00 0.00 54.13 52.93 1gcf s LEU 12 Cb 0.00 -1.22 -0.01 0.00 0.50 0.00 0.00 46.19 45.46 1gcf s LEU 12 CO 0.00 0.19 1.68 -1.81 -1.32 0.00 0.00 176.35 175.09 1gcf s ASP 13 N -1.85 5.69 0.39 3.68 1.11 -1.26 -4.85 116.67 119.58 1gcf s ASP 13 Ca 0.13 0.44 0.08 0.00 0.18 0.00 0.00 52.55 53.38 1gcf s ASP 13 Cb -0.10 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.28 1gcf s ASP 13 CO 0.05 -2.03 -0.02 -0.63 1.18 0.00 0.00 175.17 173.72 1gcf s ILE 14 N 7.59 2.07 0.00 0.77 -1.09 -1.26 -4.97 121.20 124.31 1gcf s ILE 14 Ca 0.63 -2.06 0.00 0.00 -2.23 0.00 0.00 60.65 56.99 1gcf s ILE 14 Cb -0.13 -2.90 0.00 0.00 -1.58 0.00 0.00 42.46 37.85 1gcf s ILE 14 CO 0.24 -0.06 0.00 0.61 -1.23 0.00 0.00 174.94 174.50 1gcf n GLY 15 N -0.92 4.06 0.20 6.18 0.00 -1.26 -4.91 105.19 108.54 1gcf n GLY 15 Ca -0.05 -0.54 0.09 0.00 0.00 0.00 0.00 46.02 45.52 1gcf n GLY 15 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gcf h PRO 16 N 0.00 0.00 0.00 1.61 0.13 -2.00 -3.33 132.00 128.41 1gcf h PRO 16 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.13 1gcf h PRO 16 Cb 0.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.13 1gcf h PRO 16 CO 0.00 0.21 0.00 -0.25 -0.23 0.00 0.00 178.00 177.73 1gcf n ASP 17 N -3.18 0.60 -2.46 1.44 8.00 -1.26 -4.93 116.55 114.76 1gcf n ASP 17 Ca 0.03 -1.12 -0.02 0.00 0.71 0.00 0.00 54.79 54.39 1gcf n ASP 17 Cb 0.58 0.00 -0.00 0.00 -0.02 0.00 0.00 41.12 41.68 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 -0.39 0.00 0.00 177.20 177.36 1gcf n VAL 18 N -0.06 -0.07 0.00 2.53 3.14 -1.25 -2.86 118.33 119.76 1gcf n VAL 18 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 1gcf n VAL 18 Cb 0.19 -0.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.75 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 -2.58 0.00 0.00 1.55 0.31 -1.26 -4.44 118.33 111.91 1gcf n VAL 19 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.31 1gcf n VAL 19 Cb 0.50 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.43 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 2.69 0.00 0.00 4.52 2.88 -1.23 -4.89 113.62 117.59 1gcf n SER 20 Ca 0.00 0.41 0.00 0.00 -1.33 0.00 0.00 58.87 57.95 1gcf n SER 20 Cb 0.00 -0.14 0.00 0.00 -0.75 0.00 0.00 64.21 63.32 1gcf n SER 20 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1gcf n HIS 21 N -1.67 0.00 -2.86 0.66 -0.00 -1.13 -5.07 115.22 105.14 1gcf n HIS 21 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.72 57.60 1gcf n HIS 21 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 29.99 30.02 1gcf n HIS 21 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.34 177.38 1gcf n GLN 22 N 0.00 0.82 0.00 -1.40 6.02 -1.26 -4.44 117.38 117.12 1gcf n GLN 22 Ca 0.00 -2.15 0.13 0.00 -0.01 0.00 0.00 57.00 54.97 1gcf n GLN 22 Cb 0.00 -1.36 0.60 0.00 1.02 0.00 0.00 30.24 30.50 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 1.31 0.03 -3.26 -1.09 -0.04 -1.26 -4.98 135.00 125.71 1gcf n PRO 23 Ca 0.12 0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 63.45 1gcf n PRO 23 Cb 0.62 -1.50 0.02 0.00 -0.04 0.00 0.00 33.50 32.60 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 1.32 -0.29 0.00 0.55 0.00 -1.26 -4.97 105.19 100.54 1gcf n GLY 24 Ca 0.07 0.53 0.00 0.00 0.00 0.00 0.00 46.02 46.62 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 2.65 -0.09 0.00 1.43 -0.21 -4.07 118.68 118.39 1gcf s LEU 26 Ca 0.00 -1.19 -0.04 0.00 -1.03 0.00 0.00 54.13 51.87 1gcf s LEU 26 Cb 0.00 -0.89 0.05 0.00 0.03 0.00 0.00 46.19 45.38 1gcf s LEU 26 CO 0.00 -0.24 0.17 0.26 0.23 0.00 0.00 176.35 176.77 1gcf s TRP 27 N -2.74 -0.21 0.20 0.29 0.51 -1.26 -2.75 118.94 112.98 1gcf s TRP 27 Ca 0.31 0.64 0.00 0.00 -2.12 0.00 0.00 56.10 54.94 1gcf s TRP 27 Cb 0.03 -0.19 0.00 0.00 -0.81 0.00 0.00 33.47 32.50 1gcf s TRP 27 CO 0.15 -0.26 0.04 1.28 -0.51 0.00 0.00 176.95 177.64 1gcf n LEU 28 N 5.11 0.00 0.00 2.99 4.77 -0.51 -0.32 117.00 129.03 1gcf n LEU 28 Ca -0.09 -1.23 0.00 0.00 -0.03 0.00 0.00 56.01 54.66 1gcf n LEU 28 Cb 0.50 0.10 0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1gcf n LEU 28 CO 0.07 -0.23 0.00 -0.24 -1.33 0.00 0.00 177.39 175.66 1gcf n SER 29 N -1.31 0.00 -4.07 -1.43 2.88 -0.92 -1.17 113.62 107.60 1gcf n SER 29 Ca -0.07 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.38 1gcf n SER 29 Cb 0.25 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.62 1gcf n SER 29 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1gcf s TRP 30 N 0.00 0.66 -0.30 0.66 -2.14 -1.17 -1.62 118.94 115.03 1gcf s TRP 30 Ca 0.00 -1.03 -0.05 0.00 2.66 0.00 0.00 56.10 57.68 1gcf s TRP 30 Cb 0.00 -0.30 0.19 0.00 -3.10 0.00 0.00 33.47 30.26 1gcf s TRP 30 CO 0.00 -0.60 0.79 -1.59 -2.66 0.00 0.00 176.95 172.89 1gcf s LYS 31 N -4.01 0.40 0.00 3.25 -2.85 -1.03 -1.42 119.74 114.08 1gcf s LYS 31 Ca 0.21 0.63 0.00 0.00 -1.00 0.00 0.00 55.97 55.81 1gcf s LYS 31 Cb 0.06 0.34 0.00 0.00 -2.06 0.00 0.00 37.83 36.17 1gcf s LYS 31 CO 0.01 -0.52 0.00 -0.35 0.10 0.00 0.00 175.35 174.59 1gcf n PRO 32 N 5.41 0.00 0.00 1.78 -0.04 -1.26 -2.70 135.00 138.19 1gcf n PRO 32 Ca -0.01 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 1gcf n PRO 32 Cb 0.53 -0.01 0.00 0.00 -0.04 0.00 0.00 33.50 33.97 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 0.00 -1.76 0.54 2.14 -1.26 -3.61 117.44 113.49 1gcf n TRP 33 Ca 0.00 0.00 0.00 0.00 2.07 0.00 0.00 57.50 59.57 1gcf n TRP 33 Cb 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 31.31 30.50 1gcf n TRP 33 CO 0.00 0.00 0.00 1.63 2.07 0.00 0.00 177.69 181.39 1gcf n LYS 34 N 0.00 -4.95 -0.55 -2.67 5.02 -1.26 -4.57 118.16 109.18 1gcf n LYS 34 Ca 0.00 3.58 -0.02 0.00 -2.02 0.00 0.00 58.31 59.86 1gcf n LYS 34 Cb 0.00 -3.96 -0.00 0.00 -0.02 0.00 0.00 35.03 31.05 1gcf n LYS 34 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1gcf n PRO 35 N 0.30 1.10 -4.23 1.97 -0.04 -1.26 -4.76 135.00 128.08 1gcf n PRO 35 Ca 0.00 -0.16 -0.25 0.00 -0.04 0.00 0.00 63.50 63.04 1gcf n PRO 35 Cb 0.00 -1.08 -0.07 0.00 -0.04 0.00 0.00 33.50 32.30 1gcf n PRO 35 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 1gcf s SER 36 N 1.84 4.72 0.00 3.54 0.01 -1.26 -5.13 113.70 117.42 1gcf s SER 36 Ca 0.04 -0.46 0.00 0.00 1.31 0.00 0.00 55.95 56.84 1gcf s SER 36 Cb 0.03 -0.97 0.00 0.00 0.21 0.00 0.00 66.02 65.29 1gcf s SER 36 CO -0.00 0.06 0.00 1.21 0.41 0.00 0.00 173.24 174.92 1gcf n GLU 37 N -0.36 3.55 -0.00 12.44 4.07 -1.26 -5.00 120.64 134.07 1gcf n GLU 37 Ca -0.09 0.00 0.07 0.00 -0.06 0.00 0.00 57.16 57.08 1gcf n GLU 37 Cb 0.56 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.85 1gcf n GLU 37 CO 0.00 0.00 0.00 0.66 -0.06 0.00 0.00 177.13 177.73 1gcf n TYR 38 N 0.00 0.00 -1.54 4.31 4.01 -1.26 -4.85 117.16 117.83 1gcf n TYR 38 Ca 0.00 0.00 -0.39 0.00 -0.16 0.00 0.00 57.90 57.35 1gcf n TYR 38 Cb 0.00 -0.13 0.03 0.00 -0.31 0.00 0.00 39.34 38.93 1gcf n TYR 38 CO 0.00 0.00 0.00 -0.12 -0.46 0.00 0.00 176.86 176.28 1gcf n MET 39 N -1.59 0.83 0.00 -0.72 1.56 -1.26 -3.81 117.12 112.13 1gcf n MET 39 Ca 0.00 0.31 0.00 0.00 -0.27 0.00 0.00 57.70 57.75 1gcf n MET 39 Cb 0.27 -1.88 0.00 0.00 2.15 0.00 0.00 33.22 33.75 1gcf n MET 39 CO 0.00 0.00 0.00 0.39 -0.73 0.00 0.00 175.97 175.63 1gcf n GLU 40 N -0.18 0.00 -0.77 2.12 1.02 -1.26 -4.73 120.64 116.84 1gcf n GLU 40 Ca 0.12 0.00 -0.31 0.00 -0.02 0.00 0.00 57.16 56.94 1gcf n GLU 40 Cb 0.44 0.00 0.11 0.00 -0.02 0.00 0.00 31.44 31.97 1gcf n GLU 40 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1gcf n GLN 41 N 0.00 -1.06 0.00 3.49 10.64 -1.25 -4.43 117.38 124.78 1gcf n GLN 41 Ca 0.00 -0.30 0.00 0.00 -1.83 0.00 0.00 57.00 54.87 1gcf n GLN 41 Cb 0.00 -1.38 0.00 0.00 -0.86 0.00 0.00 30.24 28.00 1gcf n GLN 41 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1gcf n GLU 42 N -0.19 -3.00 -3.75 2.61 0.28 -1.21 -4.84 120.64 110.53 1gcf n GLU 42 Ca 0.00 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 56.91 1gcf n GLU 42 Cb 0.61 0.00 -0.04 0.00 1.43 0.00 0.00 31.44 33.44 1gcf n GLU 42 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1gcf s GLU 44 N -3.88 0.23 -0.04 0.00 -1.05 -0.72 -2.52 118.70 110.73 1gcf s GLU 44 Ca 0.10 -0.46 0.02 0.00 -0.15 0.00 0.00 54.97 54.48 1gcf s GLU 44 Cb -0.01 0.08 -0.03 0.00 -0.44 0.00 0.00 34.13 33.73 1gcf s GLU 44 CO -0.03 -0.04 -0.06 -1.17 0.95 0.00 0.00 175.26 174.91 1gcf s LEU 45 N -1.10 3.19 -0.01 1.83 2.96 -0.86 -2.38 118.68 122.31 1gcf s LEU 45 Ca -0.12 -0.07 0.03 0.00 -0.22 0.00 0.00 54.13 53.75 1gcf s LEU 45 Cb -0.08 -1.76 -0.03 0.00 0.50 0.00 0.00 46.19 44.83 1gcf s LEU 45 CO -0.01 0.33 -0.09 -0.60 -1.32 0.00 0.00 176.35 174.66 1gcf s ARG 46 N -1.09 2.54 -0.25 1.98 3.52 -1.17 -1.17 118.95 123.30 1gcf s ARG 46 Ca 0.15 -0.71 -0.08 0.00 -0.13 0.00 0.00 55.73 54.95 1gcf s ARG 46 Cb -0.11 -2.47 0.11 0.00 -1.56 0.00 0.00 34.95 30.92 1gcf s ARG 46 CO 0.04 0.61 0.53 1.52 -0.81 0.00 0.00 175.30 177.20 1gcf s TYR 47 N -0.92 -1.09 0.20 5.12 -0.85 -0.76 -1.61 117.35 117.42 1gcf s TYR 47 Ca 0.15 1.90 0.11 0.00 -0.52 0.00 0.00 57.07 58.71 1gcf s TYR 47 Cb -0.11 0.55 -0.04 0.00 0.38 0.00 0.00 41.96 42.73 1gcf s TYR 47 CO 0.05 -0.59 -0.22 1.14 -1.52 0.00 0.00 175.55 174.41 1gcf s GLN 48 N 2.76 1.59 -0.37 -3.49 -2.07 -0.54 -2.72 119.66 114.82 1gcf s GLN 48 Ca -0.02 -1.51 -0.29 0.00 -1.82 0.00 0.00 55.36 51.72 1gcf s GLN 48 Cb -0.12 -1.88 0.02 0.00 -1.09 0.00 0.00 33.01 29.94 1gcf s GLN 48 CO -0.16 0.40 1.17 -1.25 -1.32 0.00 0.00 175.29 174.13 1gcf s PRO 49 N -2.73 3.89 -0.48 9.60 0.04 -1.26 -1.42 135.00 142.63 1gcf s PRO 49 Ca 0.22 0.94 -0.27 0.00 0.04 0.00 0.00 61.00 61.93 1gcf s PRO 49 Cb -0.08 -3.84 0.03 0.00 0.04 0.00 0.00 34.50 30.65 1gcf s PRO 49 CO 0.11 -1.15 1.04 -1.14 0.04 0.00 0.00 177.00 175.89 1gcf s GLN 50 N 4.12 3.61 0.00 4.56 0.74 0.97 -4.60 119.66 129.07 1gcf s GLN 50 Ca 0.50 0.34 0.00 0.00 0.05 0.00 0.00 55.36 56.25 1gcf s GLN 50 Cb -0.12 -3.93 0.00 0.00 1.10 0.00 0.00 33.01 30.07 1gcf s GLN 50 CO 0.24 -1.33 0.00 1.47 -0.55 0.00 0.00 175.29 175.11 1gcf n LEU 51 N 7.56 0.00 -0.25 3.68 -0.00 -1.26 -3.15 117.00 123.58 1gcf n LEU 51 Ca 0.09 0.00 0.04 0.00 -0.00 0.00 0.00 56.01 56.14 1gcf n LEU 51 Cb 0.49 0.00 0.17 0.00 -0.00 0.00 0.00 43.42 44.08 1gcf n LEU 51 CO 0.68 0.00 1.03 0.11 -0.00 0.00 0.00 177.39 179.21 1gcf h LYS 52 N 0.00 0.46 0.00 1.47 1.79 -1.96 -3.45 116.57 114.88 1gcf h LYS 52 Ca 0.00 -0.03 0.00 0.00 -2.18 0.00 0.00 60.65 58.44 1gcf h LYS 52 Cb 0.00 -0.10 0.00 0.00 -1.58 0.00 0.00 32.23 30.55 1gcf h LYS 52 CO 0.00 0.31 0.00 0.41 -1.08 0.00 0.00 179.45 179.09 1gcf n GLY 53 N -1.32 2.83 0.00 3.86 0.00 -1.26 -5.19 105.19 104.11 1gcf n GLY 53 Ca 0.13 -1.25 0.00 0.00 0.00 0.00 0.00 46.02 44.90 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 0.02 4.61 0.00 -1.26 -4.78 120.51 116.09 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 0.02 0.00 0.00 0.00 0.00 19.45 19.47 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 1.80 -1.67 0.00 3.02 -1.26 -5.07 115.26 112.07 1gcf n ASN 55 Ca 0.00 -1.64 0.00 0.00 -0.03 0.00 0.00 54.58 52.91 1gcf n ASN 55 Cb 0.00 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1gcf n TRP 56 N -0.11 -4.31 -4.46 3.10 7.02 -1.26 -5.01 117.44 112.42 1gcf n TRP 56 Ca 0.02 2.25 -0.30 0.00 -1.02 0.00 0.00 57.50 58.45 1gcf n TRP 56 Cb 0.20 -3.46 -0.13 0.00 -2.42 0.00 0.00 31.31 25.50 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 -1.87 2.54 0.40 -0.99 2.01 -1.10 -4.97 115.64 111.65 1gcf s THR 57 Ca 0.00 -1.54 0.07 0.00 0.31 0.00 0.00 61.69 60.53 1gcf s THR 57 Cb 0.00 -2.12 -0.07 0.00 0.01 0.00 0.00 72.50 70.32 1gcf s THR 57 CO 0.00 0.16 0.03 -0.76 -0.69 0.00 0.00 174.62 173.36 1gcf s LEU 58 N -1.90 2.91 -0.02 4.42 1.43 -1.26 -1.83 118.68 122.41 1gcf s LEU 58 Ca 0.15 -1.29 -0.01 0.00 -1.03 0.00 0.00 54.13 51.96 1gcf s LEU 58 Cb -0.10 -1.02 0.02 0.00 0.03 0.00 0.00 46.19 45.12 1gcf s LEU 58 CO 0.07 -0.43 0.05 -0.69 0.23 0.00 0.00 176.35 175.58 1gcf s VAL 59 N -2.67 -0.03 0.00 -1.59 1.01 -0.32 -4.94 120.40 111.85 1gcf s VAL 59 Ca 0.36 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1gcf s VAL 59 Cb 0.08 -0.09 0.00 0.00 0.00 0.00 0.00 36.38 36.36 1gcf s VAL 59 CO 0.19 0.05 0.00 0.49 0.00 0.00 0.00 175.10 175.82 1gcf n PHE 60 N 3.68 0.00 -1.63 5.22 3.72 -1.26 -2.02 117.46 125.17 1gcf n PHE 60 Ca -0.21 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.06 1gcf n PHE 60 Cb 0.55 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.04 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 0.00 -0.61 -3.33 1.38 8.25 -1.26 -4.88 115.22 114.77 1gcf n HIS 61 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1gcf n HIS 61 Cb 0.00 -2.63 -0.06 0.00 1.12 0.00 0.00 29.99 28.42 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 -4.18 4.51 0.70 2.41 1.02 -1.05 -5.01 118.68 117.09 1gcf s LEU 62 Ca 0.00 1.17 -0.11 0.00 0.02 0.00 0.00 54.13 55.21 1gcf s LEU 62 Cb 0.00 -2.81 0.02 0.00 0.02 0.00 0.00 46.19 43.42 1gcf s LEU 62 CO 0.00 0.27 1.08 -2.16 0.02 0.00 0.00 176.35 175.57 1gcf s PRO 63 N -1.02 2.76 0.20 1.29 0.04 -1.26 -1.58 135.00 135.43 1gcf s PRO 63 Ca 0.28 0.36 0.23 0.00 0.04 0.00 0.00 61.00 61.91 1gcf s PRO 63 Cb -0.19 -2.04 0.91 0.00 0.04 0.00 0.00 34.50 33.22 1gcf s PRO 63 CO 0.17 -1.06 1.70 -1.13 0.04 0.00 0.00 177.00 176.73 1gcf n SER 64 N -2.99 0.57 -3.77 6.66 3.41 -1.26 -4.48 113.62 111.76 1gcf n SER 64 Ca 0.07 0.61 -0.14 0.00 -0.26 0.00 0.00 58.87 59.16 1gcf n SER 64 Cb 0.58 -0.74 -0.15 0.00 -0.26 0.00 0.00 64.21 63.64 1gcf n SER 64 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1gcf s SER 65 N -4.06 -0.07 0.02 4.04 1.04 -1.26 -4.12 113.70 109.29 1gcf s SER 65 Ca 0.06 0.23 0.07 0.00 0.48 0.00 0.00 55.95 56.79 1gcf s SER 65 Cb 0.10 0.14 -0.02 0.00 0.10 0.00 0.00 66.02 66.34 1gcf s SER 65 CO 0.42 -0.13 -0.20 -0.75 0.98 0.00 0.00 173.24 173.56 1gcf s LYS 66 N 0.98 1.46 -0.18 4.02 2.47 -0.51 -5.00 119.74 122.98 1gcf s LYS 66 Ca -0.08 -0.87 -0.24 0.00 -1.56 0.00 0.00 55.97 53.23 1gcf s LYS 66 Cb -0.10 -1.52 -0.22 0.00 -1.46 0.00 0.00 37.83 34.53 1gcf s LYS 66 CO -0.04 0.40 0.42 0.22 0.16 0.00 0.00 175.35 176.51 1gcf h ASP 67 N 5.11 0.02 -1.46 1.43 3.58 -1.91 -3.10 116.42 120.10 1gcf h ASP 67 Ca -0.41 -0.70 -0.38 0.00 0.42 0.00 0.00 57.03 55.96 1gcf h ASP 67 Cb 1.15 -0.01 -0.27 0.00 1.72 0.00 0.00 39.33 41.93 1gcf h ASP 67 CO 0.45 1.33 -0.77 0.00 -2.88 0.00 0.00 179.24 177.37 1gcf n GLN 68 N -4.47 0.49 -1.51 0.28 6.02 -1.26 -4.71 117.38 112.22 1gcf n GLN 68 Ca -0.24 -2.58 -0.43 0.00 -0.01 0.00 0.00 57.00 53.74 1gcf n GLN 68 Cb 0.62 -1.49 -0.00 0.00 1.02 0.00 0.00 30.24 30.39 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 2.41 0.27 -3.75 1.08 -0.00 -0.32 -4.70 117.46 112.45 1gcf n PHE 69 Ca 0.21 0.65 -0.28 0.00 -0.00 0.00 0.00 57.45 58.03 1gcf n PHE 69 Cb 0.54 -2.10 -0.16 0.00 -0.00 0.00 0.00 39.48 37.76 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 -1.62 0.77 -0.14 -4.13 2.02 -1.26 -1.43 118.70 112.91 1gcf s GLU 70 Ca 0.62 -0.63 -0.03 0.00 0.02 0.00 0.00 54.97 54.96 1gcf s GLU 70 Cb -0.65 -2.12 -0.03 0.00 0.10 0.00 0.00 34.13 31.44 1gcf s GLU 70 CO 0.58 -0.72 -0.04 -1.17 0.02 0.00 0.00 175.26 173.93 1gcf s LEU 71 N 1.76 3.25 0.14 1.80 2.96 -1.11 -4.92 118.68 122.56 1gcf s LEU 71 Ca 0.01 -0.11 0.10 0.00 -0.22 0.00 0.00 54.13 53.92 1gcf s LEU 71 Cb -0.17 -1.77 -0.04 0.00 0.50 0.00 0.00 46.19 44.71 1gcf s LEU 71 CO -0.12 0.20 -0.25 0.00 -1.32 0.00 0.00 176.35 174.86 1gcf n GLY 73 N 0.81 0.85 2.45 0.00 0.00 -1.26 -5.04 105.19 103.00 1gcf n GLY 73 Ca -0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.60 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 4.47 -2.28 0.99 4.77 -1.26 -4.81 117.00 118.88 1gcf n LEU 74 Ca 0.00 -5.05 -0.29 0.00 -0.03 0.00 0.00 56.01 50.64 1gcf n LEU 74 Cb 0.00 -0.38 0.03 0.00 -2.33 0.00 0.00 43.42 40.74 1gcf n LEU 74 CO 0.00 2.17 0.65 0.00 -1.33 0.00 0.00 177.39 178.88 1gcf n HIS 75 N -0.47 3.03 0.15 -1.77 1.44 -1.26 -4.52 115.22 111.82 1gcf n HIS 75 Ca 0.37 -2.61 0.02 0.00 -2.01 0.00 0.00 57.72 53.49 1gcf n HIS 75 Cb 0.70 -0.66 -0.02 0.00 0.12 0.00 0.00 29.99 30.13 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 -0.70 5.01 -4.15 -1.40 3.00 -1.26 -5.04 117.38 112.84 1gcf n GLN 76 Ca 0.49 -0.00 -0.10 0.00 -0.01 0.00 0.00 57.00 57.38 1gcf n GLN 76 Cb 0.75 -0.73 -0.10 0.00 0.00 0.00 0.00 30.24 30.16 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1gcf s ALA 77 N -1.47 0.88 0.17 -1.58 0.00 -1.26 -4.98 121.76 113.51 1gcf s ALA 77 Ca 0.01 -1.38 0.00 0.00 0.00 0.00 0.00 51.96 50.59 1gcf s ALA 77 Cb 0.03 0.42 0.01 0.00 0.00 0.00 0.00 23.12 23.59 1gcf s ALA 77 CO 0.15 -0.35 1.39 -1.00 0.00 0.00 0.00 175.76 175.96 1gcf h PRO 78 N 2.95 0.30 -4.49 0.00 0.13 -1.95 -3.45 132.00 125.49 1gcf h PRO 78 Ca -0.35 -0.29 -0.34 0.00 -0.87 0.00 0.00 66.00 64.15 1gcf h PRO 78 Cb 1.17 0.07 -0.28 0.00 0.13 0.00 0.00 31.00 32.10 1gcf h PRO 78 CO 0.63 0.97 -0.76 0.54 -0.23 0.00 0.00 178.00 179.16 1gcf s VAL 79 N -3.37 0.53 -0.03 1.56 0.11 -1.19 -4.68 120.40 113.33 1gcf s VAL 79 Ca -0.04 -0.38 0.03 0.00 -2.93 0.00 0.00 61.98 58.65 1gcf s VAL 79 Cb 0.10 -0.47 -0.03 0.00 -1.53 0.00 0.00 36.38 34.45 1gcf s VAL 79 CO 0.84 0.09 -0.09 -0.31 -3.33 0.00 0.00 175.10 172.29 1gcf s TYR 80 N -0.30 2.85 0.17 1.54 1.51 -0.59 -0.02 117.35 122.52 1gcf s TYR 80 Ca 0.01 -0.05 0.07 0.00 -1.01 0.00 0.00 57.07 56.09 1gcf s TYR 80 Cb -0.03 -1.64 -0.04 0.00 -0.11 0.00 0.00 41.96 40.13 1gcf s TYR 80 CO -0.00 0.31 0.04 0.99 -1.11 0.00 0.00 175.55 175.78 1gcf s THR 81 N -0.87 3.94 -0.14 -0.71 2.01 -0.51 -1.90 115.64 117.47 1gcf s THR 81 Ca 0.14 -1.34 -0.20 0.00 0.31 0.00 0.00 61.69 60.60 1gcf s THR 81 Cb -0.11 -3.00 0.05 0.00 0.01 0.00 0.00 72.50 69.45 1gcf s THR 81 CO 0.04 -0.12 0.53 -0.76 -0.69 0.00 0.00 174.62 173.61 1gcf s LEU 82 N -3.02 -0.02 0.00 4.42 1.02 -0.43 -1.46 118.68 119.19 1gcf s LEU 82 Ca 0.29 0.83 0.00 0.00 0.02 0.00 0.00 54.13 55.27 1gcf s LEU 82 Cb -0.09 1.89 -0.00 0.00 0.02 0.00 0.00 46.19 48.00 1gcf s LEU 82 CO 0.20 -0.32 0.01 1.67 0.02 0.00 0.00 176.35 177.93 1gcf n GLN 83 N 2.14 1.34 -3.79 1.70 7.27 -0.64 -1.53 117.38 123.87 1gcf n GLN 83 Ca -0.16 -0.27 -0.13 0.00 0.07 0.00 0.00 57.00 56.52 1gcf n GLN 83 Cb 0.56 0.11 -0.13 0.00 2.41 0.00 0.00 30.24 33.20 1gcf n GLN 83 CO 0.00 0.00 0.00 1.41 0.07 0.00 0.00 177.06 178.54 1gcf s MET 84 N -2.12 0.20 -0.03 3.69 1.75 -1.18 -3.05 119.30 118.56 1gcf s MET 84 Ca 0.01 0.31 0.02 0.00 -1.25 0.00 0.00 55.69 54.77 1gcf s MET 84 Cb 0.00 0.04 0.01 0.00 2.84 0.00 0.00 34.83 37.72 1gcf s MET 84 CO 0.01 -0.06 -0.07 0.50 -0.65 0.00 0.00 175.02 174.75 1gcf s ARG 85 N 0.37 0.91 0.22 4.11 3.52 -1.00 -1.14 118.95 125.93 1gcf s ARG 85 Ca -0.02 -0.23 0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1gcf s ARG 85 Cb -0.04 -0.86 -0.01 0.00 -1.56 0.00 0.00 34.95 32.48 1gcf s ARG 85 CO -0.02 0.04 0.11 0.00 -0.81 0.00 0.00 175.30 174.62 1gcf n ILE 87 N -0.47 0.00 0.00 0.00 0.00 -1.19 -3.24 119.36 114.46 1gcf n ILE 87 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 62.75 62.74 1gcf n ILE 87 Cb 0.35 0.00 0.00 0.00 0.00 0.00 0.00 39.64 39.99 1gcf n ILE 87 CO 0.00 0.00 0.00 -2.11 0.00 0.00 0.00 176.55 174.44 1gcf n ARG 88 N -0.18 0.00 0.00 9.51 0.00 -1.26 -3.35 116.66 121.38 1gcf n ARG 88 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 1gcf n ARG 88 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 32.46 32.46 1gcf n ARG 88 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 1gcf n SER 89 N 0.00 0.00 0.00 2.89 2.88 -1.26 -4.87 113.62 113.26 1gcf n SER 89 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1gcf n SER 89 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1gcf n SER 89 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1gcf n SER 90 N 0.00 0.00 0.00 -3.46 7.64 -1.26 -4.90 113.62 111.64 1gcf n SER 90 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1gcf n SER 90 Cb 0.00 -0.35 0.00 0.00 -1.01 0.00 0.00 64.21 62.85 1gcf n SER 90 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1gcf n LEU 91 N 0.00 0.00 -4.75 -3.43 -0.00 -1.26 -4.78 117.00 102.78 1gcf n LEU 91 Ca 0.00 0.00 -0.40 0.00 -0.00 0.00 0.00 56.01 55.61 1gcf n LEU 91 Cb 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.37 1gcf n LEU 91 CO 0.00 0.00 0.56 -2.16 -0.00 0.00 0.00 177.39 175.79 1gcf s PRO 92 N -2.00 4.62 0.00 1.47 0.04 -1.26 -4.57 135.00 133.29 1gcf s PRO 92 Ca 0.00 1.26 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1gcf s PRO 92 Cb 0.00 -3.34 0.00 0.00 0.04 0.00 0.00 34.50 31.20 1gcf s PRO 92 CO 0.00 0.34 0.00 0.41 0.04 0.00 0.00 177.00 177.79 1gcf n GLY 93 N 2.11 1.59 0.01 0.56 0.00 -1.26 -5.03 105.19 103.16 1gcf n GLY 93 Ca -0.01 -0.12 -0.00 0.00 0.00 0.00 0.00 46.02 45.88 1gcf n GLY 93 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 1gcf h PHE 94 N 0.00 0.00 -1.73 1.61 0.04 -1.94 -3.51 116.94 111.41 1gcf h PHE 94 Ca 0.00 0.00 0.18 0.00 2.80 0.00 0.00 57.97 60.95 1gcf h PHE 94 Cb 0.00 0.00 -0.09 0.00 2.20 0.00 0.00 35.95 38.06 1gcf h PHE 94 CO 0.00 0.00 -0.60 0.91 -0.60 0.00 0.00 178.31 178.02 1gcf n TRP 95 N -2.60 -1.92 -3.75 -0.55 7.02 -1.26 -5.02 117.44 109.36 1gcf n TRP 95 Ca -0.01 1.05 -0.06 0.00 -1.02 0.00 0.00 57.50 57.46 1gcf n TRP 95 Cb 0.02 -1.74 -0.00 0.00 -2.42 0.00 0.00 31.31 27.17 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 -3.22 1.64 -4.77 -0.99 3.41 -1.20 -4.99 113.62 103.50 1gcf n SER 96 Ca -0.04 -1.41 -0.39 0.00 -0.26 0.00 0.00 58.87 56.77 1gcf n SER 96 Cb 0.34 0.02 -0.06 0.00 -0.26 0.00 0.00 64.21 64.25 1gcf n SER 96 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gcf s PRO 97 N -2.44 4.66 -0.74 4.33 0.04 -1.26 -4.87 135.00 134.72 1gcf s PRO 97 Ca 0.04 1.48 -0.29 0.00 0.04 0.00 0.00 61.00 62.28 1gcf s PRO 97 Cb -0.00 -3.02 -0.14 0.00 0.04 0.00 0.00 34.50 31.37 1gcf s PRO 97 CO 0.03 0.33 2.56 0.91 0.04 0.00 0.00 177.00 180.86 1gcf n TRP 98 N 0.96 1.00 -1.41 0.56 7.02 -1.26 -4.85 117.44 119.46 1gcf n TRP 98 Ca 0.00 0.25 -0.36 0.00 -1.02 0.00 0.00 57.50 56.37 1gcf n TRP 98 Cb 0.48 -2.51 0.07 0.00 -2.42 0.00 0.00 31.31 26.93 1gcf n TRP 98 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1gcf n SER 99 N 13.21 0.21 -4.71 -0.99 7.64 -0.29 -4.85 113.62 123.83 1gcf n SER 99 Ca 0.51 0.69 -0.42 0.00 1.01 0.00 0.00 58.87 60.66 1gcf n SER 99 Cb 0.29 -1.36 -0.03 0.00 -1.01 0.00 0.00 64.21 62.10 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 -3.05 4.50 0.00 1.43 0.04 -1.26 -3.09 135.00 133.57 1gcf s PRO 100 Ca 0.73 1.60 0.00 0.00 0.04 0.00 0.00 61.00 63.36 1gcf s PRO 100 Cb -0.37 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 30.77 1gcf s PRO 100 CO 0.51 -0.15 0.00 0.41 0.04 0.00 0.00 177.00 177.81 1gcf n GLY 101 N 3.05 1.13 2.84 0.56 0.00 -1.25 -4.79 105.19 106.74 1gcf n GLY 101 Ca 0.07 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.08 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 -4.06 0.99 -0.00 -0.58 -4.99 117.00 108.35 1gcf n LEU 102 Ca 0.00 -0.92 -0.16 0.00 -0.00 0.00 0.00 56.01 54.93 1gcf n LEU 102 Cb 0.00 1.93 -0.13 0.00 -0.00 0.00 0.00 43.42 45.22 1gcf n LEU 102 CO 0.00 -0.31 -0.42 0.00 -0.00 0.00 0.00 177.39 176.66 1gcf s GLN 103 N -2.03 0.62 0.17 1.47 -2.07 -1.26 -1.31 119.66 115.24 1gcf s GLN 103 Ca 0.18 -0.64 -0.02 0.00 -1.82 0.00 0.00 55.36 53.07 1gcf s GLN 103 Cb -0.02 -0.51 0.01 0.00 -1.09 0.00 0.00 33.01 31.40 1gcf s GLN 103 CO 0.03 0.12 0.25 1.28 -1.32 0.00 0.00 175.29 175.65 1gcf n LEU 104 N 1.91 0.00 -4.30 2.60 4.77 -0.80 -4.97 117.00 116.21 1gcf n LEU 104 Ca -0.19 -1.32 -0.37 0.00 -0.03 0.00 0.00 56.01 54.10 1gcf n LEU 104 Cb 0.55 1.27 -0.13 0.00 -2.33 0.00 0.00 43.42 42.79 1gcf n LEU 104 CO 0.22 -0.32 -0.30 -0.13 -1.33 0.00 0.00 177.39 175.54 1gcf s ARG 105 N -2.33 2.94 0.90 3.23 0.52 -1.26 -1.54 118.95 121.41 1gcf s ARG 105 Ca 0.13 -0.95 -0.15 0.00 -0.52 0.00 0.00 55.73 54.23 1gcf s ARG 105 Cb -0.01 -3.31 0.21 0.00 0.52 0.00 0.00 34.95 32.36 1gcf s ARG 105 CO 0.09 -0.48 1.10 -0.35 0.02 0.00 0.00 175.30 175.68 1gcf n PRO 106 N 4.81 -1.57 -1.61 3.54 -0.04 -1.26 -4.99 135.00 133.88 1gcf n PRO 106 Ca -0.14 -1.72 -0.37 0.00 -0.04 0.00 0.00 63.50 61.23 1gcf n PRO 106 Cb 0.47 -1.25 0.07 0.00 -0.04 0.00 0.00 33.50 32.75 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 -3.84 4.04 1.35 0.52 -2.24 -1.26 -4.89 114.28 107.97 1gcf n THR 107 Ca 0.14 -0.48 0.13 0.00 -2.27 0.00 0.00 64.05 61.58 1gcf n THR 107 Cb 0.50 -1.25 0.41 0.00 -2.10 0.00 0.00 70.33 67.89 1gcf n THR 107 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1gcf n MET 108 N -1.50 1.53 0.00 -0.78 2.81 -1.26 -4.74 117.12 113.18 1gcf n MET 108 Ca 0.15 -0.98 0.04 0.00 -1.81 0.00 0.00 57.70 55.10 1gcf n MET 108 Cb 0.48 -1.48 0.25 0.00 -0.71 0.00 0.00 33.22 31.76 1gcf n MET 108 CO 0.00 0.00 0.00 1.17 1.51 0.00 0.00 175.97 178.65