#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 -3.15 1.61 7.64 -1.26 -4.95 113.62 113.52 1gcf n SER 2 Ca 0.00 0.17 0.05 0.00 1.01 0.00 0.00 58.87 60.10 1gcf n SER 2 Cb 0.00 0.00 -0.01 0.00 -1.01 0.00 0.00 64.21 63.19 1gcf n SER 2 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 1gcf s SER 3 N -1.91 -0.72 -0.42 6.43 1.04 -1.26 -5.12 113.70 111.74 1gcf s SER 3 Ca 0.00 0.22 -0.19 0.00 0.48 0.00 0.00 55.95 56.47 1gcf s SER 3 Cb 0.00 1.51 0.02 0.00 0.10 0.00 0.00 66.02 67.65 1gcf s SER 3 CO 0.00 -0.13 0.52 -0.22 0.98 0.00 0.00 173.24 174.39 1gcf s LEU 4 N 2.93 4.67 -0.35 2.42 0.20 -1.26 -4.98 118.68 122.31 1gcf s LEU 4 Ca 0.15 -0.48 0.02 0.00 0.69 0.00 0.00 54.13 54.50 1gcf s LEU 4 Cb -0.07 -2.53 0.15 0.00 -0.43 0.00 0.00 46.19 43.30 1gcf s LEU 4 CO -0.19 -0.64 0.33 -1.61 -0.29 0.00 0.00 176.35 173.95 1gcf s GLU 5 N 2.42 0.54 0.90 1.98 8.01 -1.26 -5.14 118.70 126.15 1gcf s GLU 5 Ca 0.17 -0.70 -0.14 0.00 0.01 0.00 0.00 54.97 54.31 1gcf s GLU 5 Cb -0.16 -0.77 0.14 0.00 -4.31 0.00 0.00 34.13 29.04 1gcf s GLU 5 CO 0.16 -1.15 1.20 -1.25 0.01 0.00 0.00 175.26 174.23 1gcf s PRO 6 N 1.66 1.18 -0.82 0.39 0.04 -1.26 -4.64 135.00 131.56 1gcf s PRO 6 Ca 0.15 0.01 -0.25 0.00 0.04 0.00 0.00 61.00 60.94 1gcf s PRO 6 Cb -0.16 -1.87 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1gcf s PRO 6 CO -0.12 -2.12 1.52 -1.25 0.04 0.00 0.00 177.00 175.07 1gcf s PRO 7 N -5.57 3.12 -0.37 0.56 0.04 -1.25 -4.69 135.00 126.83 1gcf s PRO 7 Ca 0.66 -0.34 -0.14 0.00 0.04 0.00 0.00 61.00 61.22 1gcf s PRO 7 Cb -0.10 -4.66 -0.00 0.00 0.04 0.00 0.00 34.50 29.78 1gcf s PRO 7 CO 0.52 -2.43 0.27 -1.64 0.04 0.00 0.00 177.00 173.76 1gcf s MET 8 N 5.92 3.25 -0.22 4.56 -1.94 -1.05 -4.88 119.30 124.93 1gcf s MET 8 Ca 0.48 -0.82 0.02 0.00 -1.71 0.00 0.00 55.69 53.66 1gcf s MET 8 Cb -0.06 -3.89 0.05 0.00 2.01 0.00 0.00 34.83 32.93 1gcf s MET 8 CO 0.07 -0.59 -0.13 -1.17 -0.01 0.00 0.00 175.02 173.19 1gcf s LEU 9 N 1.70 2.78 0.00 -0.03 1.98 -1.26 -2.47 118.68 121.38 1gcf s LEU 9 Ca 0.06 -1.07 0.02 0.00 -2.89 0.00 0.00 54.13 50.25 1gcf s LEU 9 Cb -0.18 -1.44 -0.01 0.00 0.66 0.00 0.00 46.19 45.22 1gcf s LEU 9 CO 0.10 -0.13 0.08 0.00 -1.89 0.00 0.00 176.35 174.52 1gcf n GLN 10 N 4.55 0.36 -0.03 1.98 1.13 -0.79 -4.92 117.38 119.67 1gcf n GLN 10 Ca -0.16 -1.19 0.00 0.00 -1.94 0.00 0.00 57.00 53.71 1gcf n GLN 10 Cb 0.45 0.86 0.00 0.00 0.11 0.00 0.00 30.24 31.67 1gcf n GLN 10 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1gcf n ALA 11 N -2.24 0.00 -2.49 -1.58 0.00 -1.26 -2.38 120.51 110.56 1gcf n ALA 11 Ca -0.05 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.16 1gcf n ALA 11 Cb 0.21 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.56 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 2.55 -0.56 0.00 2.96 0.87 -4.47 118.68 120.02 1gcf s LEU 12 Ca 0.00 -1.25 -0.28 0.00 -0.22 0.00 0.00 54.13 52.38 1gcf s LEU 12 Cb 0.00 -0.71 0.02 0.00 0.50 0.00 0.00 46.19 46.00 1gcf s LEU 12 CO 0.00 -0.38 1.33 -1.81 -1.32 0.00 0.00 176.35 174.17 1gcf s ASP 13 N -3.53 6.26 0.15 3.68 1.01 -1.26 -4.88 116.67 118.10 1gcf s ASP 13 Ca 0.32 0.24 0.06 0.00 0.71 0.00 0.00 52.55 53.88 1gcf s ASP 13 Cb 0.05 -2.55 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 1gcf s ASP 13 CO 0.15 -1.61 -0.13 -0.63 0.21 0.00 0.00 175.17 173.15 1gcf s ILE 14 N 5.61 1.39 0.00 0.77 -1.09 -1.26 -4.76 121.20 121.86 1gcf s ILE 14 Ca 0.49 -1.96 0.00 0.00 -2.23 0.00 0.00 60.65 56.96 1gcf s ILE 14 Cb -0.10 -1.77 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 1gcf s ILE 14 CO 0.25 -0.57 0.00 0.61 -1.23 0.00 0.00 174.94 174.01 1gcf n GLY 15 N 0.07 0.15 1.49 6.18 0.00 -1.26 -4.88 105.19 106.93 1gcf n GLY 15 Ca -0.12 -0.79 -0.00 0.00 0.00 0.00 0.00 46.02 45.11 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 1.01 -2.04 1.61 -0.04 -1.26 -3.61 135.00 130.67 1gcf n PRO 16 Ca 0.00 -0.02 -0.02 0.00 -0.04 0.00 0.00 63.50 63.43 1gcf n PRO 16 Cb 0.00 -1.01 0.01 0.00 -0.04 0.00 0.00 33.50 32.46 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 1.45 -0.57 -2.62 3.54 5.68 -1.26 -5.01 116.55 117.76 1gcf n ASP 17 Ca 0.00 -1.36 -0.34 0.00 -0.50 0.00 0.00 54.79 52.59 1gcf n ASP 17 Cb 0.50 0.44 0.03 0.00 -1.14 0.00 0.00 41.12 40.95 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 -1.33 0.00 0.00 177.20 176.42 1gcf n VAL 18 N -0.35 3.12 0.00 2.12 3.14 -1.24 -4.92 118.33 120.21 1gcf n VAL 18 Ca -0.12 -4.32 0.00 0.00 -2.96 0.00 0.00 64.34 56.94 1gcf n VAL 18 Cb 0.59 -1.23 0.00 0.00 -1.06 0.00 0.00 33.84 32.14 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 -0.59 0.00 -0.27 1.55 0.31 -1.26 -4.88 118.33 113.19 1gcf n VAL 19 Ca 0.50 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.53 1gcf n VAL 19 Cb 0.49 0.00 0.29 0.00 -0.91 0.00 0.00 33.84 33.70 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 5.14 -3.83 0.02 4.52 2.88 -1.26 -4.95 113.62 116.13 1gcf n SER 20 Ca 0.00 -0.76 -0.18 0.00 -1.33 0.00 0.00 58.87 56.60 1gcf n SER 20 Cb 0.00 -1.03 -0.14 0.00 -0.75 0.00 0.00 64.21 62.29 1gcf n SER 20 CO 0.00 0.00 0.00 0.45 -1.23 0.00 0.00 175.04 174.26 1gcf h HIS 21 N -3.49 0.40 -0.18 0.66 -0.00 -1.96 -3.45 115.15 107.13 1gcf h HIS 21 Ca -0.42 -0.29 -0.16 0.00 -0.00 0.00 0.00 60.37 59.49 1gcf h HIS 21 Cb 1.31 -0.02 -0.14 0.00 -0.00 0.00 0.00 27.41 28.56 1gcf h HIS 21 CO -3.34 1.53 -0.37 0.00 -0.00 0.00 0.00 177.93 175.74 1gcf n GLN 22 N -3.39 0.55 0.00 2.45 10.64 -1.26 -4.89 117.38 121.48 1gcf n GLN 22 Ca -0.25 -1.50 0.00 0.00 -1.83 0.00 0.00 57.00 53.42 1gcf n GLN 22 Cb 1.05 -1.10 0.00 0.00 -0.86 0.00 0.00 30.24 29.33 1gcf n GLN 22 CO 0.00 0.00 0.00 -0.35 -1.83 0.00 0.00 177.06 174.88 1gcf n PRO 23 N 1.90 0.79 -2.69 2.61 -0.04 -1.26 -5.06 135.00 131.25 1gcf n PRO 23 Ca 0.09 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.47 1gcf n PRO 23 Cb 0.64 0.00 0.08 0.00 -0.04 0.00 0.00 33.50 34.18 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 4.47 1.43 1.13 0.55 0.00 -1.26 -4.78 105.19 106.73 1gcf n GLY 24 Ca 0.00 -0.61 -0.09 0.00 0.00 0.00 0.00 46.02 45.32 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 2.21 -0.03 0.00 1.43 -0.08 -4.01 118.68 118.19 1gcf s LEU 26 Ca 0.06 -1.21 -0.01 0.00 -1.03 0.00 0.00 54.13 51.94 1gcf s LEU 26 Cb 0.00 -0.28 0.03 0.00 0.03 0.00 0.00 46.19 45.98 1gcf s LEU 26 CO 0.04 -0.50 0.05 0.26 0.23 0.00 0.00 176.35 176.43 1gcf s TRP 27 N -3.41 0.02 0.28 0.29 0.51 -1.26 -2.64 118.94 112.73 1gcf s TRP 27 Ca 0.28 0.22 0.00 0.00 -2.12 0.00 0.00 56.10 54.48 1gcf s TRP 27 Cb 0.05 -0.31 0.00 0.00 -0.81 0.00 0.00 33.47 32.40 1gcf s TRP 27 CO 0.08 -0.14 0.04 1.28 -0.51 0.00 0.00 176.95 177.70 1gcf n LEU 28 N 4.62 0.00 0.00 2.99 4.77 -0.45 -0.09 117.00 128.84 1gcf n LEU 28 Ca -0.18 -1.70 0.00 0.00 -0.03 0.00 0.00 56.01 54.10 1gcf n LEU 28 Cb 0.50 0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1gcf n LEU 28 CO 0.16 -0.27 0.00 -0.24 -1.33 0.00 0.00 177.39 175.70 1gcf n SER 29 N -1.29 0.00 -4.03 -1.43 2.88 -1.00 -1.22 113.62 107.54 1gcf n SER 29 Ca -0.10 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.34 1gcf n SER 29 Cb 0.35 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.74 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 0.54 -0.30 0.66 -2.14 -1.08 -1.88 118.94 114.74 1gcf s TRP 30 Ca 0.00 -0.87 -0.01 0.00 2.66 0.00 0.00 56.10 57.88 1gcf s TRP 30 Cb 0.00 -0.05 0.19 0.00 -3.10 0.00 0.00 33.47 30.51 1gcf s TRP 30 CO 0.00 -0.83 0.64 -1.59 -2.66 0.00 0.00 176.95 172.51 1gcf s LYS 31 N -4.03 0.54 0.00 3.25 -2.85 -1.03 -2.86 119.74 112.75 1gcf s LYS 31 Ca 0.24 0.88 0.00 0.00 -1.00 0.00 0.00 55.97 56.09 1gcf s LYS 31 Cb 0.02 0.48 0.00 0.00 -2.06 0.00 0.00 37.83 36.27 1gcf s LYS 31 CO 0.07 -0.65 0.00 -0.35 0.10 0.00 0.00 175.35 174.52 1gcf n PRO 32 N 5.43 0.89 0.00 1.78 -0.04 -1.26 -2.54 135.00 139.26 1gcf n PRO 32 Ca -0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gcf n PRO 32 Cb 0.52 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.98 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 -0.79 0.54 4.27 -1.26 -4.23 117.44 115.97 1gcf n TRP 33 Ca 0.00 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.61 1gcf n TRP 33 Cb 0.00 0.00 0.00 0.00 -1.36 0.00 0.00 31.31 29.95 1gcf n TRP 33 CO 0.00 0.00 0.00 1.63 -2.29 0.00 0.00 177.69 177.03 1gcf n LYS 34 N 0.00 0.00 0.00 -2.67 5.02 -1.26 -4.98 118.16 114.27 1gcf n LYS 34 Ca 0.00 0.26 0.00 0.00 -2.02 0.00 0.00 58.31 56.55 1gcf n LYS 34 Cb 0.00 -0.53 0.00 0.00 -0.02 0.00 0.00 35.03 34.48 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 0.42 2.84 -1.11 1.97 -0.04 -1.26 -4.70 135.00 133.11 1gcf n PRO 35 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1gcf n PRO 35 Cb 0.00 0.00 -0.11 0.00 -0.04 0.00 0.00 33.50 33.35 1gcf n PRO 35 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1gcf n SER 36 N 0.00 0.31 0.00 3.54 2.88 -1.26 -4.61 113.62 114.48 1gcf n SER 36 Ca 0.00 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.77 1gcf n SER 36 Cb 0.00 -0.71 0.00 0.00 -0.75 0.00 0.00 64.21 62.75 1gcf n SER 36 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1gcf n GLU 37 N 6.38 0.00 -0.06 -1.46 4.07 -1.26 -5.07 120.64 123.24 1gcf n GLU 37 Ca 0.49 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.56 1gcf n GLU 37 Cb 0.01 0.00 -0.01 0.00 -0.06 0.00 0.00 31.44 31.38 1gcf n GLU 37 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 1gcf h TYR 38 N 0.00 0.00 -0.67 4.31 0.05 -1.92 -3.47 116.97 115.27 1gcf h TYR 38 Ca 0.00 0.00 -0.24 0.00 0.05 0.00 0.00 58.73 58.54 1gcf h TYR 38 Cb 0.00 0.00 -0.09 0.00 1.01 0.00 0.00 36.73 37.65 1gcf h TYR 38 CO 0.00 0.00 -0.22 -0.12 -1.05 0.00 0.00 178.16 176.77 1gcf n MET 39 N -4.58 -0.82 -3.67 4.88 1.56 -1.26 -4.97 117.12 108.26 1gcf n MET 39 Ca -0.05 0.87 -0.29 0.00 -0.27 0.00 0.00 57.70 57.96 1gcf n MET 39 Cb 0.17 -4.88 -0.15 0.00 2.15 0.00 0.00 33.22 30.51 1gcf n MET 39 CO 0.00 0.00 0.00 -1.21 -0.73 0.00 0.00 175.97 174.03 1gcf s GLU 40 N -3.15 0.52 0.00 2.12 0.41 -1.26 -5.10 118.70 112.24 1gcf s GLU 40 Ca 0.00 -0.80 -0.01 0.00 -0.41 0.00 0.00 54.97 53.75 1gcf s GLU 40 Cb 0.00 -1.73 0.00 0.00 -1.78 0.00 0.00 34.13 30.63 1gcf s GLU 40 CO 0.00 -0.95 0.05 0.00 -0.49 0.00 0.00 175.26 173.87 1gcf n GLN 41 N 5.01 0.01 0.00 1.61 10.64 -1.26 -4.26 117.38 129.13 1gcf n GLN 41 Ca -0.04 -0.04 0.00 0.00 -1.83 0.00 0.00 57.00 55.08 1gcf n GLN 41 Cb 0.43 0.07 0.00 0.00 -0.86 0.00 0.00 30.24 29.87 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 -0.04 0.78 -3.62 2.61 0.28 -0.64 -4.61 120.64 115.40 1gcf n GLU 42 Ca 0.00 0.00 -0.03 0.00 -0.16 0.00 0.00 57.16 56.97 1gcf n GLU 42 Cb 0.02 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.87 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 -1.98 1.00 -0.03 0.00 -1.05 -0.94 -2.96 118.70 112.73 1gcf s GLU 44 Ca 0.10 -0.97 0.01 0.00 -0.15 0.00 0.00 54.97 53.96 1gcf s GLU 44 Cb -0.01 -1.10 -0.03 0.00 -0.44 0.00 0.00 34.13 32.55 1gcf s GLU 44 CO -0.04 0.26 -0.03 -1.17 0.95 0.00 0.00 175.26 175.23 1gcf s LEU 45 N -1.58 3.36 -0.03 1.83 2.96 -0.61 -2.97 118.68 121.63 1gcf s LEU 45 Ca 0.02 -0.02 0.04 0.00 -0.22 0.00 0.00 54.13 53.95 1gcf s LEU 45 Cb -0.09 -1.85 -0.03 0.00 0.50 0.00 0.00 46.19 44.72 1gcf s LEU 45 CO 0.03 0.32 -0.13 -0.60 -1.32 0.00 0.00 176.35 174.65 1gcf s ARG 46 N -1.22 2.49 -0.28 1.98 3.52 -1.15 -1.25 118.95 123.04 1gcf s ARG 46 Ca 0.16 -0.72 -0.04 0.00 -0.13 0.00 0.00 55.73 55.01 1gcf s ARG 46 Cb -0.11 -2.40 0.16 0.00 -1.56 0.00 0.00 34.95 31.03 1gcf s ARG 46 CO 0.06 0.62 0.54 1.52 -0.81 0.00 0.00 175.30 177.22 1gcf s TYR 47 N -0.81 -1.30 0.20 5.12 1.13 -0.81 -1.44 117.35 119.44 1gcf s TYR 47 Ca 0.13 1.60 0.09 0.00 -1.41 0.00 0.00 57.07 57.48 1gcf s TYR 47 Cb -0.11 0.46 -0.04 0.00 -1.10 0.00 0.00 41.96 41.17 1gcf s TYR 47 CO 0.02 -0.76 -0.08 1.14 -2.51 0.00 0.00 175.55 173.36 1gcf s GLN 48 N 2.77 2.11 -0.53 -3.49 -2.07 -0.77 -2.72 119.66 114.96 1gcf s GLN 48 Ca 0.12 -1.30 -0.28 0.00 -1.82 0.00 0.00 55.36 52.08 1gcf s GLN 48 Cb -0.14 -2.16 0.02 0.00 -1.09 0.00 0.00 33.01 29.64 1gcf s GLN 48 CO -0.19 0.42 1.26 -1.25 -1.32 0.00 0.00 175.29 174.21 1gcf s PRO 49 N -3.00 3.52 -0.35 9.60 0.04 -1.26 -1.41 135.00 142.15 1gcf s PRO 49 Ca 0.26 0.46 -0.29 0.00 0.04 0.00 0.00 61.00 61.47 1gcf s PRO 49 Cb -0.08 -4.01 0.01 0.00 0.04 0.00 0.00 34.50 30.45 1gcf s PRO 49 CO 0.16 -1.65 1.27 -1.14 0.04 0.00 0.00 177.00 175.68 1gcf s GLN 50 N 4.96 3.85 0.00 4.56 0.74 0.14 -4.62 119.66 129.29 1gcf s GLN 50 Ca 0.49 1.08 0.00 0.00 0.05 0.00 0.00 55.36 56.98 1gcf s GLN 50 Cb -0.09 -3.89 0.00 0.00 1.10 0.00 0.00 33.01 30.13 1gcf s GLN 50 CO 0.28 -1.21 0.00 1.47 -0.55 0.00 0.00 175.29 175.28 1gcf n LEU 51 N 7.78 0.00 0.26 3.68 -0.00 -1.26 -3.13 117.00 124.33 1gcf n LEU 51 Ca 0.14 0.00 -0.16 0.00 -0.00 0.00 0.00 56.01 56.00 1gcf n LEU 51 Cb 0.47 0.00 -0.08 0.00 -0.00 0.00 0.00 43.42 43.81 1gcf n LEU 51 CO 0.65 0.00 0.67 0.50 -0.00 0.00 0.00 177.39 179.21 1gcf h LYS 52 N 0.00 -0.60 -5.87 1.47 3.11 -1.96 -3.45 116.57 109.27 1gcf h LYS 52 Ca 0.00 0.04 -0.57 0.00 -2.81 0.00 0.00 60.65 57.31 1gcf h LYS 52 Cb 0.00 0.14 -0.07 0.00 -1.00 0.00 0.00 32.23 31.30 1gcf h LYS 52 CO 0.00 -0.37 -0.41 0.20 -2.81 0.00 0.00 179.45 176.06 1gcf s GLY 53 N -2.23 2.40 -0.30 5.01 0.00 -1.26 -5.14 107.32 105.80 1gcf s GLY 53 Ca -0.16 -1.58 -0.28 0.00 0.00 0.00 0.00 44.72 42.70 1gcf s GLY 53 CO 0.61 -1.93 1.41 0.00 0.00 0.00 0.00 173.10 173.19 1gcf s ALA 54 N -2.68 -2.16 -0.24 3.20 0.00 -1.26 -4.81 121.76 113.80 1gcf s ALA 54 Ca 0.36 1.85 0.02 0.00 0.00 0.00 0.00 51.96 54.19 1gcf s ALA 54 Cb 0.00 -1.64 0.01 0.00 0.00 0.00 0.00 23.12 21.49 1gcf s ALA 54 CO 0.21 -0.19 0.43 0.09 0.00 0.00 0.00 175.76 176.29 1gcf n ASN 55 N 0.78 0.86 -1.90 0.00 4.13 -1.26 -5.06 115.26 112.81 1gcf n ASN 55 Ca -0.02 -0.93 0.00 0.00 1.68 0.00 0.00 54.58 55.31 1gcf n ASN 55 Cb 0.58 0.32 0.00 0.00 -1.54 0.00 0.00 39.78 39.14 1gcf n ASN 55 CO 0.00 0.00 0.00 0.79 0.28 0.00 0.00 177.26 178.33 1gcf n TRP 56 N -0.24 -4.40 -4.22 3.10 7.02 -1.26 -5.01 117.44 112.43 1gcf n TRP 56 Ca 0.01 2.65 -0.28 0.00 -1.02 0.00 0.00 57.50 58.86 1gcf n TRP 56 Cb 0.05 -3.51 -0.09 0.00 -2.42 0.00 0.00 31.31 25.34 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 -0.46 3.52 0.43 -0.99 2.01 -1.10 -4.96 115.64 114.08 1gcf s THR 57 Ca 0.00 -1.34 0.05 0.00 0.31 0.00 0.00 61.69 60.71 1gcf s THR 57 Cb 0.00 -2.70 -0.05 0.00 0.01 0.00 0.00 72.50 69.76 1gcf s THR 57 CO 0.00 0.02 0.02 -0.76 -0.69 0.00 0.00 174.62 173.21 1gcf s LEU 58 N -2.52 2.57 -0.14 4.42 1.43 -1.26 -1.92 118.68 121.26 1gcf s LEU 58 Ca 0.24 -1.47 -0.07 0.00 -1.03 0.00 0.00 54.13 51.80 1gcf s LEU 58 Cb -0.10 -0.74 0.06 0.00 0.03 0.00 0.00 46.19 45.43 1gcf s LEU 58 CO 0.16 -0.62 0.32 -0.69 0.23 0.00 0.00 176.35 175.75 1gcf s VAL 59 N -2.86 -0.17 0.00 -1.59 1.01 -0.38 -4.93 120.40 111.48 1gcf s VAL 59 Ca 0.26 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.40 1gcf s VAL 59 Cb 0.07 -0.50 0.00 0.00 0.00 0.00 0.00 36.38 35.95 1gcf s VAL 59 CO 0.13 0.07 0.00 0.49 0.00 0.00 0.00 175.10 175.79 1gcf n PHE 60 N 4.58 0.00 -2.17 5.22 3.72 -1.26 -1.57 117.46 125.97 1gcf n PHE 60 Ca -0.19 0.00 -0.05 0.00 -0.05 0.00 0.00 57.45 57.15 1gcf n PHE 60 Cb 0.53 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 39.06 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 -1.52 -3.66 1.38 8.25 -1.26 -4.86 115.22 113.54 1gcf n HIS 61 Ca 0.00 0.00 -0.37 0.00 -0.26 0.00 0.00 57.72 57.09 1gcf n HIS 61 Cb 0.00 -1.73 -0.06 0.00 1.12 0.00 0.00 29.99 29.32 1gcf n HIS 61 CO 0.00 0.00 0.00 -1.17 0.64 0.00 0.00 176.34 175.81 1gcf s LEU 62 N -4.68 4.39 0.47 2.41 2.96 -1.15 -5.05 118.68 118.02 1gcf s LEU 62 Ca 0.00 0.66 -0.19 0.00 -0.22 0.00 0.00 54.13 54.37 1gcf s LEU 62 Cb 0.00 -2.33 -0.10 0.00 0.50 0.00 0.00 46.19 44.27 1gcf s LEU 62 CO 0.00 0.31 0.97 -2.16 -1.32 0.00 0.00 176.35 174.15 1gcf s PRO 63 N -0.71 4.09 0.22 0.98 0.04 -1.26 -2.10 135.00 136.27 1gcf s PRO 63 Ca 0.18 1.07 0.16 0.00 0.04 0.00 0.00 61.00 62.46 1gcf s PRO 63 Cb -0.14 -2.16 0.83 0.00 0.04 0.00 0.00 34.50 33.08 1gcf s PRO 63 CO 0.07 -0.15 1.49 0.45 0.04 0.00 0.00 177.00 178.90 1gcf n SER 64 N -1.03 0.41 -3.63 6.66 2.88 -1.26 -4.29 113.62 113.35 1gcf n SER 64 Ca 0.07 0.68 -0.17 0.00 -1.33 0.00 0.00 58.87 58.11 1gcf n SER 64 Cb 0.54 -0.73 -0.15 0.00 -0.75 0.00 0.00 64.21 63.11 1gcf n SER 64 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1gcf s SER 65 N -3.75 0.93 0.05 -3.46 1.04 -1.26 -4.19 113.70 103.06 1gcf s SER 65 Ca -0.01 0.20 0.05 0.00 0.48 0.00 0.00 55.95 56.67 1gcf s SER 65 Cb 0.05 0.30 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1gcf s SER 65 CO 0.16 -0.27 -0.07 -0.75 0.98 0.00 0.00 173.24 173.29 1gcf s LYS 66 N 2.30 2.39 0.00 4.02 2.47 -1.14 -5.00 119.74 124.79 1gcf s LYS 66 Ca 0.04 -0.85 0.00 0.00 -1.56 0.00 0.00 55.97 53.60 1gcf s LYS 66 Cb -0.13 -2.43 0.00 0.00 -1.46 0.00 0.00 37.83 33.81 1gcf s LYS 66 CO -0.07 0.56 0.00 -0.40 0.16 0.00 0.00 175.35 175.60 1gcf n ASP 67 N 1.16 0.00 -3.35 1.43 5.75 -1.26 -2.65 116.55 117.63 1gcf n ASP 67 Ca -0.14 0.20 -0.26 0.00 -0.01 0.00 0.00 54.79 54.58 1gcf n ASP 67 Cb 0.52 -0.48 -0.08 0.00 -1.03 0.00 0.00 41.12 40.05 1gcf n ASP 67 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1gcf n GLN 68 N -2.25 2.07 -1.48 0.11 6.02 -1.26 -4.37 117.38 116.23 1gcf n GLN 68 Ca 0.00 -4.30 -0.51 0.00 -0.01 0.00 0.00 57.00 52.17 1gcf n GLN 68 Cb 0.00 -1.99 -0.05 0.00 1.02 0.00 0.00 30.24 29.23 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 0.97 0.36 -3.84 1.08 -0.00 -0.35 -4.65 117.46 111.01 1gcf n PHE 69 Ca 0.28 0.92 -0.30 0.00 -0.00 0.00 0.00 57.45 58.35 1gcf n PHE 69 Cb 0.44 -2.09 -0.14 0.00 -0.00 0.00 0.00 39.48 37.69 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 -0.58 1.30 -0.16 -4.13 -6.30 -1.26 -1.34 118.70 106.24 1gcf s GLU 70 Ca 0.74 -1.83 -0.03 0.00 -2.50 0.00 0.00 54.97 51.35 1gcf s GLU 70 Cb -1.01 -2.65 -0.02 0.00 0.00 0.00 0.00 34.13 30.45 1gcf s GLU 70 CO 0.56 -1.05 -0.05 -1.17 0.02 0.00 0.00 175.26 173.57 1gcf s LEU 71 N 0.72 3.14 0.33 2.70 2.96 -1.08 -4.95 118.68 122.50 1gcf s LEU 71 Ca 0.14 -0.19 0.05 0.00 -0.22 0.00 0.00 54.13 53.91 1gcf s LEU 71 Cb -0.21 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.65 1gcf s LEU 71 CO -0.09 0.14 0.01 0.00 -1.32 0.00 0.00 176.35 175.10 1gcf n GLY 73 N -0.71 1.23 2.40 0.00 0.00 -1.26 -5.01 105.19 101.83 1gcf n GLY 73 Ca -0.04 -0.26 -0.29 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.08 5.62 -4.34 0.99 4.77 -1.26 -4.96 117.00 117.73 1gcf n LEU 74 Ca 0.00 -4.90 -0.45 0.00 -0.03 0.00 0.00 56.01 50.63 1gcf n LEU 74 Cb 0.17 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 40.62 1gcf n LEU 74 CO 0.00 2.03 0.25 -1.38 -1.33 0.00 0.00 177.39 176.96 1gcf s HIS 75 N -3.68 3.14 0.00 -1.77 -3.43 -1.26 -4.49 115.29 103.80 1gcf s HIS 75 Ca 0.52 -1.12 0.00 0.00 -0.80 0.00 0.00 55.06 53.65 1gcf s HIS 75 Cb 0.42 -3.86 0.00 0.00 -1.43 0.00 0.00 32.58 27.72 1gcf s HIS 75 CO -0.14 -1.12 0.00 1.04 -2.00 0.00 0.00 174.74 172.52 1gcf n GLN 76 N 5.71 0.00 -4.36 -0.38 6.02 -1.26 -5.14 117.38 117.97 1gcf n GLN 76 Ca -0.12 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.62 1gcf n GLN 76 Cb 0.41 0.00 -0.10 0.00 1.02 0.00 0.00 30.24 31.58 1gcf n GLN 76 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gcf s ALA 77 N -0.70 2.86 0.13 -1.58 0.00 -1.26 -5.02 121.76 116.18 1gcf s ALA 77 Ca 0.00 -1.64 0.09 0.00 0.00 0.00 0.00 51.96 50.41 1gcf s ALA 77 Cb 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1gcf s ALA 77 CO 0.00 0.37 1.40 -1.00 0.00 0.00 0.00 175.76 176.54 1gcf h PRO 78 N 2.62 0.00 -4.03 0.00 0.13 -1.96 -3.44 132.00 125.32 1gcf h PRO 78 Ca -0.45 0.00 -0.35 0.00 -0.87 0.00 0.00 66.00 64.34 1gcf h PRO 78 Cb 1.23 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.04 1gcf h PRO 78 CO 0.55 0.82 -0.75 0.54 -0.23 0.00 0.00 178.00 178.93 1gcf s VAL 79 N -3.00 0.35 -0.00 1.56 0.11 -1.18 -4.59 120.40 113.64 1gcf s VAL 79 Ca 0.01 -0.09 0.03 0.00 -2.93 0.00 0.00 61.98 58.99 1gcf s VAL 79 Cb 0.10 -0.36 -0.03 0.00 -1.53 0.00 0.00 36.38 34.56 1gcf s VAL 79 CO 0.79 0.14 -0.05 -0.31 -3.33 0.00 0.00 175.10 172.34 1gcf s TYR 80 N 0.48 2.93 0.23 1.54 1.51 -0.43 0.26 117.35 123.87 1gcf s TYR 80 Ca -0.05 -0.01 0.08 0.00 -1.01 0.00 0.00 57.07 56.08 1gcf s TYR 80 Cb -0.09 -1.63 -0.04 0.00 -0.11 0.00 0.00 41.96 40.10 1gcf s TYR 80 CO -0.01 0.39 0.08 0.99 -1.11 0.00 0.00 175.55 175.90 1gcf s THR 81 N -1.01 3.97 -0.19 -0.71 2.01 -0.50 -2.12 115.64 117.09 1gcf s THR 81 Ca 0.17 -1.54 -0.15 0.00 0.31 0.00 0.00 61.69 60.48 1gcf s THR 81 Cb -0.11 -3.10 0.05 0.00 0.01 0.00 0.00 72.50 69.36 1gcf s THR 81 CO 0.08 -0.28 0.49 -0.76 -0.69 0.00 0.00 174.62 173.46 1gcf s LEU 82 N -3.52 -0.01 0.00 4.42 1.02 -0.54 -1.85 118.68 118.19 1gcf s LEU 82 Ca 0.31 1.01 0.00 0.00 0.02 0.00 0.00 54.13 55.47 1gcf s LEU 82 Cb -0.08 1.68 0.00 0.00 0.02 0.00 0.00 46.19 47.81 1gcf s LEU 82 CO 0.22 -0.18 0.00 1.67 0.02 0.00 0.00 176.35 178.08 1gcf n GLN 83 N 3.23 2.10 -3.69 1.70 7.27 -0.52 -1.69 117.38 125.78 1gcf n GLN 83 Ca -0.16 0.00 -0.11 0.00 0.07 0.00 0.00 57.00 56.80 1gcf n GLN 83 Cb 0.56 0.00 -0.10 0.00 2.41 0.00 0.00 30.24 33.12 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 -1.79 0.51 0.01 3.69 1.75 -1.17 -2.92 119.30 119.38 1gcf s MET 84 Ca 0.00 0.81 -0.01 0.00 -1.25 0.00 0.00 55.69 55.23 1gcf s MET 84 Cb 0.00 0.12 -0.01 0.00 2.84 0.00 0.00 34.83 37.77 1gcf s MET 84 CO 0.00 -0.12 0.00 0.50 -0.65 0.00 0.00 175.02 174.75 1gcf s ARG 85 N 0.99 0.32 0.33 4.11 3.52 -1.16 -1.12 118.95 125.95 1gcf s ARG 85 Ca -0.06 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.04 1gcf s ARG 85 Cb -0.06 0.12 -0.01 0.00 -1.56 0.00 0.00 34.95 33.44 1gcf s ARG 85 CO -0.09 -0.06 0.13 0.00 -0.81 0.00 0.00 175.30 174.47 1gcf n ILE 87 N -0.74 0.00 -2.96 0.00 3.06 -1.26 -0.90 119.36 116.57 1gcf n ILE 87 Ca -0.04 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.21 1gcf n ILE 87 Cb 0.50 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.68 1gcf n ILE 87 CO 0.00 0.00 0.00 -2.11 -2.50 0.00 0.00 176.55 171.94 1gcf n ARG 88 N -0.56 0.00 -0.06 9.51 -4.01 -1.26 -4.85 116.66 115.42 1gcf n ARG 88 Ca 0.00 0.00 -0.10 0.00 -1.04 0.00 0.00 57.85 56.71 1gcf n ARG 88 Cb 0.00 0.00 -0.06 0.00 -3.04 0.00 0.00 32.46 29.36 1gcf n ARG 88 CO 0.00 0.00 0.00 0.43 -3.04 0.00 0.00 177.63 175.02 1gcf n SER 89 N -1.05 2.63 -0.11 2.89 7.64 -1.26 -1.62 113.62 122.74 1gcf n SER 89 Ca 0.00 -0.02 0.00 0.00 1.01 0.00 0.00 58.87 59.86 1gcf n SER 89 Cb 0.00 -0.24 0.00 0.00 -1.01 0.00 0.00 64.21 62.96 1gcf n SER 89 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1gcf n SER 90 N -3.01 0.00 -3.59 6.43 7.64 -1.26 -4.92 113.62 114.91 1gcf n SER 90 Ca -0.23 -1.11 -0.29 0.00 1.01 0.00 0.00 58.87 58.25 1gcf n SER 90 Cb 0.73 -0.02 -0.13 0.00 -1.01 0.00 0.00 64.21 63.78 1gcf n SER 90 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1gcf s LEU 91 N 0.00 1.88 -0.33 -3.43 1.02 -1.26 -5.09 118.68 111.47 1gcf s LEU 91 Ca 0.00 -2.40 -0.29 0.00 0.02 0.00 0.00 54.13 51.46 1gcf s LEU 91 Cb 0.00 -0.73 -0.00 0.00 0.02 0.00 0.00 46.19 45.48 1gcf s LEU 91 CO 0.00 -0.29 1.40 -2.16 0.02 0.00 0.00 176.35 175.32 1gcf s PRO 92 N 0.71 3.75 -0.07 1.29 0.04 -1.26 -4.70 135.00 134.77 1gcf s PRO 92 Ca 0.18 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1gcf s PRO 92 Cb -0.24 -3.97 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 1gcf s PRO 92 CO 0.01 -1.33 -0.05 0.41 0.04 0.00 0.00 177.00 176.07 1gcf n GLY 93 N 4.68 -0.12 2.69 0.56 0.00 -1.26 -4.98 105.19 106.76 1gcf n GLY 93 Ca 0.16 -0.05 -0.04 0.00 0.00 0.00 0.00 46.02 46.09 1gcf n GLY 93 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1gcf n PHE 94 N -2.66 -1.20 -0.14 1.61 7.35 -1.26 -5.12 117.46 116.04 1gcf n PHE 94 Ca -0.12 -0.86 -0.05 0.00 -0.76 0.00 0.00 57.45 55.65 1gcf n PHE 94 Cb 0.64 1.18 -0.01 0.00 0.35 0.00 0.00 39.48 41.64 1gcf n PHE 94 CO 0.00 0.00 0.00 0.91 -0.76 0.00 0.00 176.76 176.91 1gcf n TRP 95 N 2.03 0.11 -0.50 -5.13 7.02 -1.26 -4.81 117.44 114.90 1gcf n TRP 95 Ca 0.07 0.09 -0.22 0.00 -1.02 0.00 0.00 57.50 56.43 1gcf n TRP 95 Cb 0.66 -0.18 0.18 0.00 -2.42 0.00 0.00 31.31 29.55 1gcf n TRP 95 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1gcf n SER 96 N 0.25 -3.10 -4.84 -0.99 2.88 -0.07 -4.95 113.62 102.79 1gcf n SER 96 Ca 0.02 -0.43 -0.30 0.00 -1.33 0.00 0.00 58.87 56.83 1gcf n SER 96 Cb 0.00 -0.84 0.08 0.00 -0.75 0.00 0.00 64.21 62.70 1gcf n SER 96 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1gcf s PRO 97 N -3.74 2.22 -0.97 -1.46 0.04 -1.26 -4.73 135.00 125.10 1gcf s PRO 97 Ca 0.44 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.74 1gcf s PRO 97 Cb -0.08 -1.95 0.09 0.00 0.04 0.00 0.00 34.50 32.60 1gcf s PRO 97 CO 0.42 -1.49 1.28 -1.58 0.04 0.00 0.00 177.00 175.67 1gcf s TRP 98 N -3.30 2.84 0.49 0.56 0.52 -1.26 -4.51 118.94 114.28 1gcf s TRP 98 Ca 0.60 -1.13 -0.21 0.00 0.02 0.00 0.00 56.10 55.38 1gcf s TRP 98 Cb -0.13 -4.48 -0.10 0.00 -1.15 0.00 0.00 33.47 27.62 1gcf s TRP 98 CO 0.53 -1.70 0.75 -1.13 0.02 0.00 0.00 176.95 175.42 1gcf n SER 99 N 7.65 0.01 -4.61 2.95 3.41 -0.27 -4.82 113.62 117.95 1gcf n SER 99 Ca 0.28 0.88 -0.43 0.00 -0.26 0.00 0.00 58.87 59.34 1gcf n SER 99 Cb 0.50 -1.25 -0.02 0.00 -0.26 0.00 0.00 64.21 63.18 1gcf n SER 99 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1gcf s PRO 100 N -2.05 3.70 0.00 4.33 0.04 -1.26 -3.06 135.00 136.70 1gcf s PRO 100 Ca 0.67 0.83 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1gcf s PRO 100 Cb -0.51 -3.94 0.00 0.00 0.04 0.00 0.00 34.50 30.08 1gcf s PRO 100 CO 0.55 -1.40 0.00 0.41 0.04 0.00 0.00 177.00 176.59 1gcf n GLY 101 N 4.83 1.26 0.63 0.56 0.00 -1.24 -4.92 105.19 106.32 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 -3.74 0.99 -0.00 -0.68 -5.01 117.00 108.56 1gcf n LEU 102 Ca 0.00 -0.20 -0.12 0.00 -0.00 0.00 0.00 56.01 55.68 1gcf n LEU 102 Cb 0.00 0.43 -0.12 0.00 -0.00 0.00 0.00 43.42 43.72 1gcf n LEU 102 CO 0.00 -0.07 -0.10 0.00 -0.00 0.00 0.00 177.39 177.23 1gcf s GLN 103 N -2.01 0.25 0.12 1.47 -2.07 -1.26 -1.47 119.66 114.68 1gcf s GLN 103 Ca 0.04 0.50 -0.01 0.00 -1.82 0.00 0.00 55.36 54.07 1gcf s GLN 103 Cb -0.00 -0.03 0.00 0.00 -1.09 0.00 0.00 33.01 31.89 1gcf s GLN 103 CO 0.01 -0.12 0.17 1.28 -1.32 0.00 0.00 175.29 175.30 1gcf n LEU 104 N 3.85 0.00 -4.46 2.60 4.77 -0.90 -4.98 117.00 117.88 1gcf n LEU 104 Ca -0.21 -0.94 -0.35 0.00 -0.03 0.00 0.00 56.01 54.47 1gcf n LEU 104 Cb 0.55 0.88 -0.12 0.00 -2.33 0.00 0.00 43.42 42.39 1gcf n LEU 104 CO 0.15 -0.22 -0.33 -0.13 -1.33 0.00 0.00 177.39 175.52 1gcf s ARG 105 N -2.25 3.63 0.00 3.23 0.52 -1.26 -1.32 118.95 121.50 1gcf s ARG 105 Ca 0.09 -0.52 0.00 0.00 -0.52 0.00 0.00 55.73 54.79 1gcf s ARG 105 Cb -0.00 -3.07 0.00 0.00 0.52 0.00 0.00 34.95 32.40 1gcf s ARG 105 CO 0.07 0.04 0.00 -0.35 0.02 0.00 0.00 175.30 175.08 1gcf n PRO 106 N 4.16 1.48 -1.08 3.54 -0.04 -1.26 -4.96 135.00 136.85 1gcf n PRO 106 Ca -0.17 0.00 -0.37 0.00 -0.04 0.00 0.00 63.50 62.92 1gcf n PRO 106 Cb 0.52 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 -0.09 0.09 -0.52 0.52 -2.24 -1.26 -4.84 114.28 105.95 1gcf n THR 107 Ca 0.00 -0.48 0.10 0.00 -2.27 0.00 0.00 64.05 61.40 1gcf n THR 107 Cb 0.00 -0.07 0.35 0.00 -2.10 0.00 0.00 70.33 68.51 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 1.84 3.50 0.00 -0.78 0.00 -1.26 -5.06 117.12 115.36 1gcf n MET 108 Ca 0.02 -2.80 0.00 0.00 0.00 0.00 0.00 57.70 54.92 1gcf n MET 108 Cb 0.53 -1.83 0.00 0.00 0.00 0.00 0.00 33.22 31.92 1gcf n MET 108 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 175.97 177.60