#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 -0.34 -1.55 1.61 3.41 -1.26 -5.12 113.62 110.38 1gcf n SER 2 Ca 0.00 -2.52 0.00 0.00 -0.26 0.00 0.00 58.87 56.09 1gcf n SER 2 Cb 0.00 0.29 0.00 0.00 -0.26 0.00 0.00 64.21 64.24 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 -0.45 -8.38 -4.56 4.04 2.88 -1.26 -4.42 113.62 101.47 1gcf n SER 3 Ca 0.01 1.38 -0.27 0.00 -1.33 0.00 0.00 58.87 58.66 1gcf n SER 3 Cb 0.84 -4.74 -0.05 0.00 -0.75 0.00 0.00 64.21 59.50 1gcf n SER 3 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1gcf s LEU 4 N -3.91 3.17 0.37 2.46 2.96 -1.26 -4.94 118.68 117.53 1gcf s LEU 4 Ca 0.00 -0.72 -0.24 0.00 -0.22 0.00 0.00 54.13 52.95 1gcf s LEU 4 Cb 0.00 -2.56 -0.10 0.00 0.50 0.00 0.00 46.19 44.03 1gcf s LEU 4 CO 0.00 -2.74 0.95 -1.83 -1.32 0.00 0.00 176.35 171.40 1gcf s GLU 5 N 6.97 4.43 0.98 1.98 4.04 -1.26 -5.05 118.70 130.78 1gcf s GLU 5 Ca 0.70 1.25 -0.16 0.00 0.04 0.00 0.00 54.97 56.79 1gcf s GLU 5 Cb -0.06 -2.53 0.20 0.00 0.02 0.00 0.00 34.13 31.75 1gcf s GLU 5 CO -0.00 0.14 1.27 -1.25 -1.84 0.00 0.00 175.26 173.58 1gcf s PRO 6 N -2.54 0.54 -0.17 -4.83 0.04 -1.26 -4.87 135.00 121.91 1gcf s PRO 6 Ca 0.55 -0.28 -0.29 0.00 0.04 0.00 0.00 61.00 61.02 1gcf s PRO 6 Cb -0.15 -1.82 -0.01 0.00 0.04 0.00 0.00 34.50 32.56 1gcf s PRO 6 CO 0.19 -2.50 1.27 -1.25 0.04 0.00 0.00 177.00 174.75 1gcf s PRO 7 N -5.77 4.22 0.24 0.56 0.04 -1.26 -4.86 135.00 128.17 1gcf s PRO 7 Ca 0.72 1.66 0.04 0.00 0.04 0.00 0.00 61.00 63.45 1gcf s PRO 7 Cb -0.06 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.69 1gcf s PRO 7 CO 0.53 -0.73 0.13 -1.33 0.04 0.00 0.00 177.00 175.64 1gcf n MET 8 N 6.65 0.51 -3.92 4.56 2.81 -1.11 -4.95 117.12 121.67 1gcf n MET 8 Ca 0.14 -2.14 -0.19 0.00 -1.81 0.00 0.00 57.70 53.71 1gcf n MET 8 Cb 0.45 1.42 -0.17 0.00 -0.71 0.00 0.00 33.22 34.21 1gcf n MET 8 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1gcf s LEU 9 N 0.00 1.03 0.00 4.03 1.98 -1.26 -2.29 118.68 122.17 1gcf s LEU 9 Ca 0.18 -0.04 0.01 0.00 -2.89 0.00 0.00 54.13 51.39 1gcf s LEU 9 Cb 0.01 -0.28 -0.00 0.00 0.66 0.00 0.00 46.19 46.58 1gcf s LEU 9 CO 0.13 -0.12 0.02 0.00 -1.89 0.00 0.00 176.35 174.50 1gcf n GLN 10 N 4.36 0.67 -0.24 1.98 6.02 -0.97 -4.79 117.38 124.41 1gcf n GLN 10 Ca -0.22 -0.47 0.00 0.00 -0.01 0.00 0.00 57.00 56.31 1gcf n GLN 10 Cb 0.50 0.29 0.00 0.00 1.02 0.00 0.00 30.24 32.05 1gcf n GLN 10 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1gcf n ALA 11 N -2.72 0.00 -2.65 -1.58 0.00 -1.26 -2.57 120.51 109.73 1gcf n ALA 11 Ca -0.02 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.22 1gcf n ALA 11 Cb 0.08 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.40 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 2.13 0.34 0.00 0.20 -0.42 -4.14 118.68 116.79 1gcf s LEU 12 Ca 0.00 -0.39 -0.27 0.00 0.69 0.00 0.00 54.13 54.16 1gcf s LEU 12 Cb 0.00 -0.59 -0.09 0.00 -0.43 0.00 0.00 46.19 45.08 1gcf s LEU 12 CO 0.00 0.06 1.12 -1.81 -0.29 0.00 0.00 176.35 175.42 1gcf s ASP 13 N -0.92 6.93 0.04 3.68 1.01 -1.26 -4.85 116.67 121.31 1gcf s ASP 13 Ca 0.02 2.26 0.04 0.00 0.71 0.00 0.00 52.55 55.58 1gcf s ASP 13 Cb -0.07 -2.62 -0.02 0.00 1.01 0.00 0.00 42.92 41.22 1gcf s ASP 13 CO 0.01 -0.38 -0.11 -0.63 0.21 0.00 0.00 175.17 174.26 1gcf s ILE 14 N -1.34 0.88 0.00 0.77 -1.09 -1.26 -4.79 121.20 114.37 1gcf s ILE 14 Ca 0.51 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.89 1gcf s ILE 14 Cb -0.30 -0.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.74 1gcf s ILE 14 CO 0.38 -0.16 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 1gcf n GLY 15 N 1.69 2.48 0.17 6.18 0.00 -1.26 -4.83 105.19 109.61 1gcf n GLY 15 Ca -0.20 -0.60 0.05 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.90 -3.29 132.00 128.55 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 0.37 -0.31 -0.40 -0.23 0.00 0.00 178.00 177.43 1gcf n ASP 17 N -3.22 0.65 0.00 1.44 5.75 -1.26 -4.86 116.55 115.05 1gcf n ASP 17 Ca 0.02 -0.83 0.00 0.00 -0.01 0.00 0.00 54.79 53.98 1gcf n ASP 17 Cb 0.66 0.81 0.00 0.00 -1.03 0.00 0.00 41.12 41.56 1gcf n ASP 17 CO 0.00 0.00 0.00 0.52 -0.11 0.00 0.00 177.20 177.61 1gcf n VAL 18 N -0.86 0.00 0.14 2.12 0.31 -1.24 -5.08 118.33 113.72 1gcf n VAL 18 Ca 0.02 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.35 1gcf n VAL 18 Cb 0.15 -0.33 0.00 0.00 -0.91 0.00 0.00 33.84 32.75 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 0.00 0.00 0.00 2.52 0.31 -1.24 -4.96 118.33 114.96 1gcf n VAL 19 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 1gcf n VAL 19 Cb 0.00 -0.13 0.00 0.00 -0.91 0.00 0.00 33.84 32.80 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 -3.15 0.00 -0.91 4.52 2.88 -1.25 -4.89 113.62 110.81 1gcf n SER 20 Ca 0.00 0.00 0.05 0.00 -1.33 0.00 0.00 58.87 57.59 1gcf n SER 20 Cb 0.00 0.00 0.10 0.00 -0.75 0.00 0.00 64.21 63.56 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 0.00 0.00 -3.15 0.66 1.44 -1.26 -4.74 115.22 108.17 1gcf n HIS 21 Ca 0.00 -0.86 -0.22 0.00 -2.01 0.00 0.00 57.72 54.62 1gcf n HIS 21 Cb 0.00 -0.18 -0.05 0.00 0.12 0.00 0.00 29.99 29.89 1gcf n HIS 21 CO 0.00 0.00 0.00 1.04 -2.81 0.00 0.00 176.34 174.57 1gcf n GLN 22 N -0.35 1.66 0.00 -1.40 6.02 -1.26 -4.98 117.38 117.07 1gcf n GLN 22 Ca 0.11 -3.86 0.00 0.00 -0.01 0.00 0.00 57.00 53.24 1gcf n GLN 22 Cb 0.88 -1.81 0.00 0.00 1.02 0.00 0.00 30.24 30.33 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 0.42 0.00 -2.12 -1.09 -0.04 -1.26 -4.95 135.00 125.95 1gcf n PRO 23 Ca 0.26 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.69 1gcf n PRO 23 Cb 0.54 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.81 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 2.53 0.32 1.90 0.55 0.00 -1.26 -5.01 105.19 104.21 1gcf n GLY 24 Ca 0.00 -0.75 -0.04 0.00 0.00 0.00 0.00 46.02 45.23 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 2.36 -0.10 0.00 1.43 -0.18 -3.98 118.68 118.21 1gcf s LEU 26 Ca 0.09 -1.11 -0.04 0.00 -1.03 0.00 0.00 54.13 52.03 1gcf s LEU 26 Cb -0.02 -0.30 0.05 0.00 0.03 0.00 0.00 46.19 45.94 1gcf s LEU 26 CO 0.05 -0.42 0.21 0.26 0.23 0.00 0.00 176.35 176.68 1gcf s TRP 27 N -3.38 -0.28 0.29 0.29 0.51 -1.26 -2.66 118.94 112.45 1gcf s TRP 27 Ca 0.22 0.73 0.01 0.00 -2.12 0.00 0.00 56.10 54.93 1gcf s TRP 27 Cb 0.04 -0.07 0.01 0.00 -0.81 0.00 0.00 33.47 32.63 1gcf s TRP 27 CO 0.04 -0.26 0.05 1.28 -0.51 0.00 0.00 176.95 177.56 1gcf n LEU 28 N 4.75 0.00 0.00 2.99 4.77 -0.70 -1.30 117.00 127.51 1gcf n LEU 28 Ca -0.16 -1.76 0.00 0.00 -0.03 0.00 0.00 56.01 54.05 1gcf n LEU 28 Cb 0.51 0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.75 1gcf n LEU 28 CO 0.10 -0.30 0.00 -1.54 -1.33 0.00 0.00 177.39 174.32 1gcf n SER 29 N -1.34 0.00 -4.23 -1.43 3.41 -1.06 -1.38 113.62 107.59 1gcf n SER 29 Ca -0.10 0.00 -0.13 0.00 -0.26 0.00 0.00 58.87 58.38 1gcf n SER 29 Cb 0.36 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.21 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 1.20 0.00 7.33 -2.14 -1.12 -2.28 118.94 121.93 1gcf s TRP 30 Ca 0.00 -1.21 0.00 0.00 2.66 0.00 0.00 56.10 57.55 1gcf s TRP 30 Cb 0.00 -0.66 0.00 0.00 -3.10 0.00 0.00 33.47 29.71 1gcf s TRP 30 CO 0.00 -0.43 0.00 0.36 -2.66 0.00 0.00 176.95 174.22 1gcf n LYS 31 N -0.27 0.00 -0.02 3.25 2.85 -0.97 -1.83 118.16 121.17 1gcf n LYS 31 Ca -0.02 0.00 -0.09 0.00 -1.05 0.00 0.00 58.31 57.15 1gcf n LYS 31 Cb 0.65 0.00 -0.07 0.00 -0.65 0.00 0.00 35.03 34.96 1gcf n LYS 31 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1gcf h PRO 32 N 0.00 -0.08 0.00 -1.58 0.13 -1.88 -2.93 132.00 125.67 1gcf h PRO 32 Ca 0.00 0.01 -0.01 0.00 -0.87 0.00 0.00 66.00 65.13 1gcf h PRO 32 Cb 0.00 0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.14 1gcf h PRO 32 CO 0.00 0.41 -0.02 -2.67 -0.23 0.00 0.00 178.00 175.49 1gcf n TRP 33 N -4.78 0.00 0.00 1.56 2.14 -1.26 -4.11 117.44 110.99 1gcf n TRP 33 Ca -0.06 -0.03 0.00 0.00 2.07 0.00 0.00 57.50 59.48 1gcf n TRP 33 Cb 0.26 0.23 0.00 0.00 -0.81 0.00 0.00 31.31 30.99 1gcf n TRP 33 CO 0.00 0.00 0.00 0.36 2.07 0.00 0.00 177.69 180.12 1gcf n LYS 34 N 0.00 0.00 -2.62 -2.67 2.85 -1.26 -5.12 118.16 109.33 1gcf n LYS 34 Ca -0.02 0.00 -0.42 0.00 -1.05 0.00 0.00 58.31 56.82 1gcf n LYS 34 Cb 0.34 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 34.69 1gcf n LYS 34 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1gcf s PRO 35 N -2.00 4.44 -0.11 -1.58 0.04 -1.26 -4.98 135.00 129.55 1gcf s PRO 35 Ca 0.00 1.49 -0.33 0.00 0.04 0.00 0.00 61.00 62.20 1gcf s PRO 35 Cb 0.00 -3.51 0.13 0.00 0.04 0.00 0.00 34.50 31.16 1gcf s PRO 35 CO 0.00 -0.27 1.20 -1.54 0.04 0.00 0.00 177.00 176.43 1gcf s SER 36 N 1.15 -0.13 0.00 6.66 1.04 -1.26 -5.16 113.70 116.00 1gcf s SER 36 Ca 0.52 -0.06 0.00 0.00 0.48 0.00 0.00 55.95 56.88 1gcf s SER 36 Cb -0.21 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.09 1gcf s SER 36 CO 0.22 -0.31 0.00 -0.62 0.98 0.00 0.00 173.24 173.51 1gcf n GLU 37 N -0.25 1.19 0.00 4.02 1.02 -1.26 -4.88 120.64 120.48 1gcf n GLU 37 Ca -0.03 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1gcf n GLU 37 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 1gcf n GLU 37 CO 0.00 0.00 0.00 0.66 1.18 0.00 0.00 177.13 178.97 1gcf n TYR 38 N -0.87 -0.81 -1.15 -0.32 4.01 -1.26 -4.91 117.16 111.85 1gcf n TYR 38 Ca 0.00 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.69 1gcf n TYR 38 Cb 0.00 0.25 -0.02 0.00 -0.31 0.00 0.00 39.34 39.26 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 -1.75 -1.68 -3.56 -0.72 1.56 -1.26 -4.90 117.12 104.82 1gcf n MET 39 Ca 0.00 0.64 -0.29 0.00 -0.27 0.00 0.00 57.70 57.78 1gcf n MET 39 Cb 0.00 -4.98 -0.14 0.00 2.15 0.00 0.00 33.22 30.24 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 -2.29 0.37 0.07 2.12 2.02 -1.26 -5.09 118.70 114.63 1gcf s GLU 40 Ca 0.00 -0.79 0.00 0.00 0.02 0.00 0.00 54.97 54.20 1gcf s GLU 40 Cb 0.00 -1.35 0.00 0.00 0.10 0.00 0.00 34.13 32.88 1gcf s GLU 40 CO 0.00 -1.05 0.00 0.00 0.02 0.00 0.00 175.26 174.23 1gcf n GLN 41 N 4.93 0.00 0.00 1.61 10.64 -1.26 -4.94 117.38 128.36 1gcf n GLN 41 Ca -0.02 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.15 1gcf n GLN 41 Cb 0.41 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 29.79 1gcf n GLN 41 CO 0.00 0.00 0.00 0.39 -1.83 0.00 0.00 177.06 175.62 1gcf n GLU 42 N -0.67 0.00 0.00 2.61 -0.58 -0.87 -4.69 120.64 116.44 1gcf n GLU 42 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1gcf n GLU 42 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 1gcf n GLU 42 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1gcf s GLU 44 N -1.96 1.47 0.01 0.00 -1.05 -0.70 -2.24 118.70 114.23 1gcf s GLU 44 Ca 0.00 -1.61 0.07 0.00 -0.15 0.00 0.00 54.97 53.28 1gcf s GLU 44 Cb 0.00 -1.49 -0.03 0.00 -0.44 0.00 0.00 34.13 32.17 1gcf s GLU 44 CO 0.00 0.28 -0.21 -1.17 0.95 0.00 0.00 175.26 175.12 1gcf s LEU 45 N -3.17 2.42 0.04 1.83 2.96 -0.64 -2.95 118.68 119.17 1gcf s LEU 45 Ca 0.24 -0.43 0.07 0.00 -0.22 0.00 0.00 54.13 53.79 1gcf s LEU 45 Cb -0.04 -1.44 -0.03 0.00 0.50 0.00 0.00 46.19 45.18 1gcf s LEU 45 CO 0.10 0.29 -0.20 -0.60 -1.32 0.00 0.00 176.35 174.62 1gcf s ARG 46 N -1.10 2.04 -0.29 1.98 3.52 -1.16 -1.25 118.95 122.69 1gcf s ARG 46 Ca 0.12 -0.99 -0.11 0.00 -0.13 0.00 0.00 55.73 54.62 1gcf s ARG 46 Cb -0.10 -2.15 0.11 0.00 -1.56 0.00 0.00 34.95 31.25 1gcf s ARG 46 CO 0.02 0.54 0.65 1.52 -0.81 0.00 0.00 175.30 177.22 1gcf s TYR 47 N -0.89 -1.24 0.05 5.12 -0.85 -0.86 -1.51 117.35 117.17 1gcf s TYR 47 Ca 0.14 2.23 0.09 0.00 -0.52 0.00 0.00 57.07 59.02 1gcf s TYR 47 Cb -0.10 0.73 -0.03 0.00 0.38 0.00 0.00 41.96 42.94 1gcf s TYR 47 CO 0.04 -0.62 -0.26 1.14 -1.52 0.00 0.00 175.55 174.33 1gcf s GLN 48 N 2.53 1.79 -0.53 -3.49 1.03 -0.87 -2.50 119.66 117.62 1gcf s GLN 48 Ca -0.07 -1.12 -0.28 0.00 0.04 0.00 0.00 55.36 53.93 1gcf s GLN 48 Cb -0.10 -1.98 0.02 0.00 0.03 0.00 0.00 33.01 30.98 1gcf s GLN 48 CO -0.19 0.51 1.33 -1.25 -2.54 0.00 0.00 175.29 173.15 1gcf s PRO 49 N -1.29 3.45 -0.59 9.60 0.04 -1.26 -1.66 135.00 143.29 1gcf s PRO 49 Ca 0.12 0.51 -0.27 0.00 0.04 0.00 0.00 61.00 61.40 1gcf s PRO 49 Cb -0.10 -4.05 0.00 0.00 0.04 0.00 0.00 34.50 30.39 1gcf s PRO 49 CO 0.02 -1.74 1.56 -1.14 0.04 0.00 0.00 177.00 175.75 1gcf s GLN 50 N 5.15 3.06 0.00 4.56 0.74 0.93 -4.53 119.66 129.56 1gcf s GLN 50 Ca 0.51 0.45 0.00 0.00 0.05 0.00 0.00 55.36 56.37 1gcf s GLN 50 Cb -0.10 -4.23 0.00 0.00 1.10 0.00 0.00 33.01 29.78 1gcf s GLN 50 CO 0.27 -2.23 0.00 1.47 -0.55 0.00 0.00 175.29 174.25 1gcf n LEU 51 N 10.64 0.00 -0.33 3.68 -0.00 -1.26 -3.10 117.00 126.63 1gcf n LEU 51 Ca 0.14 0.00 0.24 0.00 -0.00 0.00 0.00 56.01 56.39 1gcf n LEU 51 Cb 0.50 0.00 0.48 0.00 -0.00 0.00 0.00 43.42 44.39 1gcf n LEU 51 CO 0.71 0.00 1.08 0.11 -0.00 0.00 0.00 177.39 179.29 1gcf h LYS 52 N 0.00 0.23 -3.27 1.47 1.79 -1.90 -3.43 116.57 111.46 1gcf h LYS 52 Ca 0.00 -0.01 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1gcf h LYS 52 Cb 0.00 -0.05 -0.07 0.00 -1.58 0.00 0.00 32.23 30.53 1gcf h LYS 52 CO 0.00 0.15 0.08 0.20 -1.08 0.00 0.00 179.45 178.80 1gcf s GLY 53 N -4.24 0.14 -0.02 3.86 0.00 -1.26 -5.18 107.32 100.62 1gcf s GLY 53 Ca -0.10 -0.51 -0.28 0.00 0.00 0.00 0.00 44.72 43.82 1gcf s GLY 53 CO 0.79 -0.31 0.81 0.00 0.00 0.00 0.00 173.10 174.39 1gcf s ALA 54 N -3.95 -1.79 -0.60 3.20 0.00 -1.26 -4.86 121.76 112.49 1gcf s ALA 54 Ca 0.15 1.12 0.06 0.00 0.00 0.00 0.00 51.96 53.29 1gcf s ALA 54 Cb -0.04 0.14 0.12 0.00 0.00 0.00 0.00 23.12 23.34 1gcf s ALA 54 CO 0.07 -0.54 0.95 -1.71 0.00 0.00 0.00 175.76 174.53 1gcf n ASN 55 N 0.24 2.09 -1.63 0.00 2.85 -1.26 -5.06 115.26 112.48 1gcf n ASN 55 Ca -0.13 -1.69 0.00 0.00 -0.11 0.00 0.00 54.58 52.65 1gcf n ASN 55 Cb 0.60 -0.07 0.00 0.00 1.24 0.00 0.00 39.78 41.55 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 0.17 -4.27 -4.40 1.20 7.02 -1.26 -5.03 117.44 110.87 1gcf n TRP 56 Ca 0.05 2.23 -0.22 0.00 -1.02 0.00 0.00 57.50 58.54 1gcf n TRP 56 Cb 0.26 -3.44 -0.10 0.00 -2.42 0.00 0.00 31.31 25.61 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 -2.20 2.13 0.40 -0.99 2.01 -1.04 -4.97 115.64 110.98 1gcf s THR 57 Ca 0.00 -2.23 0.03 0.00 0.31 0.00 0.00 61.69 59.81 1gcf s THR 57 Cb 0.00 -2.13 -0.04 0.00 0.01 0.00 0.00 72.50 70.34 1gcf s THR 57 CO 0.00 -0.42 0.08 -0.76 -0.69 0.00 0.00 174.62 172.83 1gcf s LEU 58 N -3.23 2.14 -0.20 4.42 1.43 -1.26 -2.04 118.68 119.95 1gcf s LEU 58 Ca 0.24 -1.56 -0.12 0.00 -1.03 0.00 0.00 54.13 51.66 1gcf s LEU 58 Cb -0.04 -0.33 0.06 0.00 0.03 0.00 0.00 46.19 45.91 1gcf s LEU 58 CO 0.11 -0.79 0.49 -0.69 0.23 0.00 0.00 176.35 175.69 1gcf s VAL 59 N -3.17 -0.02 0.00 -1.59 1.01 -0.38 -4.93 120.40 111.33 1gcf s VAL 59 Ca 0.26 0.06 0.00 0.00 0.00 0.00 0.00 61.98 62.29 1gcf s VAL 59 Cb 0.05 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.72 1gcf s VAL 59 CO 0.13 0.02 0.00 0.49 0.00 0.00 0.00 175.10 175.75 1gcf n PHE 60 N 4.07 -0.03 -2.20 5.22 3.01 -1.26 -1.61 117.46 124.65 1gcf n PHE 60 Ca -0.21 0.00 -0.16 0.00 1.01 0.00 0.00 57.45 58.09 1gcf n PHE 60 Cb 0.56 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 40.01 1gcf n PHE 60 CO 0.00 0.00 0.00 0.72 1.01 0.00 0.00 176.76 178.49 1gcf n HIS 61 N -0.01 -1.01 -4.00 1.38 8.25 -1.26 -4.88 115.22 113.70 1gcf n HIS 61 Ca 0.00 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.10 1gcf n HIS 61 Cb 0.00 -3.20 -0.07 0.00 1.12 0.00 0.00 29.99 27.84 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 -5.42 4.18 0.99 2.41 1.02 -0.95 -5.03 118.68 115.89 1gcf s LEU 62 Ca 0.00 0.38 -0.17 0.00 0.02 0.00 0.00 54.13 54.36 1gcf s LEU 62 Cb 0.00 -2.01 0.21 0.00 0.02 0.00 0.00 46.19 44.42 1gcf s LEU 62 CO 0.00 0.39 1.31 -2.16 0.02 0.00 0.00 176.35 175.92 1gcf s PRO 63 N -0.93 0.40 0.09 1.29 0.04 -1.26 -0.79 135.00 133.84 1gcf s PRO 63 Ca 0.14 -0.41 0.14 0.00 0.04 0.00 0.00 61.00 60.91 1gcf s PRO 63 Cb -0.12 -1.82 -0.13 0.00 0.04 0.00 0.00 34.50 32.47 1gcf s PRO 63 CO 0.03 -2.58 1.00 0.66 0.04 0.00 0.00 177.00 176.16 1gcf h SER 64 N -1.76 0.00 -3.40 6.66 4.64 -1.85 -3.36 113.55 114.48 1gcf h SER 64 Ca -0.44 0.00 -0.57 0.00 -0.47 0.00 0.00 61.79 60.31 1gcf h SER 64 Cb 1.23 0.00 -0.38 0.00 -0.31 0.00 0.00 62.40 62.94 1gcf h SER 64 CO 0.36 0.75 -0.79 -0.94 -0.87 0.00 0.00 176.83 175.34 1gcf s SER 65 N -6.17 3.11 0.14 4.97 1.04 -1.26 -4.52 113.70 111.01 1gcf s SER 65 Ca -0.01 -0.82 0.08 0.00 0.48 0.00 0.00 55.95 55.68 1gcf s SER 65 Cb 0.09 -0.95 -0.04 0.00 0.10 0.00 0.00 66.02 65.21 1gcf s SER 65 CO 0.80 -0.21 -0.07 -0.75 0.98 0.00 0.00 173.24 173.99 1gcf s LYS 66 N 1.59 2.19 -0.20 4.02 2.20 -0.76 -4.85 119.74 123.93 1gcf s LYS 66 Ca -0.01 -1.10 -0.15 0.00 -0.36 0.00 0.00 55.97 54.34 1gcf s LYS 66 Cb -0.16 -2.29 -0.08 0.00 -1.51 0.00 0.00 37.83 33.79 1gcf s LYS 66 CO -0.07 0.48 -0.33 -3.47 -0.36 0.00 0.00 175.35 171.60 1gcf n ASP 67 N 0.33 1.85 -3.19 1.43 -0.08 -1.26 -2.79 116.55 112.84 1gcf n ASP 67 Ca -0.12 0.32 -0.25 0.00 -1.51 0.00 0.00 54.79 53.23 1gcf n ASP 67 Cb 0.54 -0.73 -0.06 0.00 2.34 0.00 0.00 41.12 43.21 1gcf n ASP 67 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1gcf n GLN 68 N -4.30 2.13 -1.47 -0.67 6.02 -1.26 -4.43 117.38 113.41 1gcf n GLN 68 Ca -0.28 -4.23 -0.42 0.00 -0.01 0.00 0.00 57.00 52.06 1gcf n GLN 68 Cb 0.63 -1.96 0.01 0.00 1.02 0.00 0.00 30.24 29.94 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 0.51 -0.26 -3.83 1.08 -0.00 -0.48 -4.69 117.46 109.79 1gcf n PHE 69 Ca 0.28 0.61 -0.28 0.00 -0.00 0.00 0.00 57.45 58.06 1gcf n PHE 69 Cb 0.47 -2.02 -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 -2.00 -0.00 0.00 0.00 176.76 174.76 1gcf s GLU 70 N -1.61 1.11 -0.02 -4.13 2.12 -1.26 -1.72 118.70 113.19 1gcf s GLU 70 Ca 0.63 -0.46 0.05 0.00 0.36 0.00 0.00 54.97 55.54 1gcf s GLU 70 Cb -0.61 -1.98 -0.03 0.00 0.26 0.00 0.00 34.13 31.77 1gcf s GLU 70 CO 0.58 -0.50 -0.15 -1.17 -0.54 0.00 0.00 175.26 173.48 1gcf s LEU 71 N 1.72 2.73 0.10 2.70 2.96 -1.09 -4.98 118.68 122.82 1gcf s LEU 71 Ca -0.00 -0.26 -0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1gcf s LEU 71 Cb -0.16 -1.57 -0.02 0.00 0.50 0.00 0.00 46.19 44.94 1gcf s LEU 71 CO -0.07 0.31 0.11 0.00 -1.32 0.00 0.00 176.35 175.38 1gcf n GLY 73 N -0.04 0.57 1.88 0.00 0.00 -1.26 -5.00 105.19 101.34 1gcf n GLY 73 Ca -0.11 -0.45 -0.20 0.00 0.00 0.00 0.00 46.02 45.25 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 -0.75 4.64 -3.51 0.99 4.77 -1.26 -4.89 117.00 116.99 1gcf n LEU 74 Ca 0.00 -4.63 -0.40 0.00 -0.03 0.00 0.00 56.01 50.95 1gcf n LEU 74 Cb 0.42 -0.35 -0.01 0.00 -2.33 0.00 0.00 43.42 41.16 1gcf n LEU 74 CO 0.00 2.02 2.65 0.00 -1.33 0.00 0.00 177.39 180.73 1gcf n HIS 75 N -0.75 2.67 0.00 -1.77 1.44 -1.26 -4.06 115.22 111.49 1gcf n HIS 75 Ca 0.41 -2.91 0.00 0.00 -2.01 0.00 0.00 57.72 53.21 1gcf n HIS 75 Cb 0.94 -2.10 0.00 0.00 0.12 0.00 0.00 29.99 28.95 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 2.93 1.23 -4.29 -1.40 6.02 -1.26 -5.09 117.38 115.51 1gcf n GLN 76 Ca 0.63 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 57.40 1gcf n GLN 76 Cb 0.27 -0.65 -0.12 0.00 1.02 0.00 0.00 30.24 30.77 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 -1.29 1.80 0.18 -1.58 0.00 -1.26 -4.87 121.76 114.75 1gcf s ALA 77 Ca 0.00 -1.35 0.04 0.00 0.00 0.00 0.00 51.96 50.66 1gcf s ALA 77 Cb 0.00 -0.18 0.04 0.00 0.00 0.00 0.00 23.12 22.98 1gcf s ALA 77 CO 0.00 0.25 1.41 -1.00 0.00 0.00 0.00 175.76 176.42 1gcf h PRO 78 N 3.63 0.14 -5.21 0.00 0.13 -1.88 -3.44 132.00 125.36 1gcf h PRO 78 Ca -0.43 -0.15 -0.48 0.00 -0.87 0.00 0.00 66.00 64.07 1gcf h PRO 78 Cb 1.20 0.04 -0.29 0.00 0.13 0.00 0.00 31.00 32.07 1gcf h PRO 78 CO 0.47 0.89 -0.81 0.54 -0.23 0.00 0.00 178.00 178.86 1gcf s VAL 79 N -3.25 1.09 -0.02 1.56 0.11 -1.18 -4.49 120.40 114.23 1gcf s VAL 79 Ca -0.02 -0.58 0.05 0.00 -2.93 0.00 0.00 61.98 58.50 1gcf s VAL 79 Cb 0.11 -0.92 -0.03 0.00 -1.53 0.00 0.00 36.38 34.01 1gcf s VAL 79 CO 0.81 0.31 -0.16 -0.31 -3.33 0.00 0.00 175.10 172.43 1gcf s TYR 80 N -0.25 2.64 0.18 1.54 1.51 -0.54 -0.05 117.35 122.38 1gcf s TYR 80 Ca 0.04 -0.20 0.07 0.00 -1.01 0.00 0.00 57.07 55.97 1gcf s TYR 80 Cb -0.06 -1.57 -0.04 0.00 -0.11 0.00 0.00 41.96 40.18 1gcf s TYR 80 CO -0.00 0.20 0.03 0.99 -1.11 0.00 0.00 175.55 175.65 1gcf s THR 81 N -0.80 3.86 -0.14 -0.71 2.01 -0.66 -2.03 115.64 117.17 1gcf s THR 81 Ca 0.13 -1.38 -0.10 0.00 0.31 0.00 0.00 61.69 60.65 1gcf s THR 81 Cb -0.11 -2.95 0.05 0.00 0.01 0.00 0.00 72.50 69.50 1gcf s THR 81 CO 0.02 -0.12 0.35 -0.76 -0.69 0.00 0.00 174.62 173.42 1gcf s LEU 82 N -3.00 0.34 0.00 4.42 1.02 -0.48 -2.05 118.68 118.93 1gcf s LEU 82 Ca 0.28 0.74 0.00 0.00 0.02 0.00 0.00 54.13 55.17 1gcf s LEU 82 Cb -0.09 1.17 0.00 0.00 0.02 0.00 0.00 46.19 47.28 1gcf s LEU 82 CO 0.20 -0.16 0.00 1.67 0.02 0.00 0.00 176.35 178.08 1gcf n GLN 83 N 3.65 1.93 -3.70 1.70 7.27 -0.57 -1.85 117.38 125.81 1gcf n GLN 83 Ca -0.19 0.00 -0.14 0.00 0.07 0.00 0.00 57.00 56.74 1gcf n GLN 83 Cb 0.56 0.00 -0.09 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 -1.99 0.64 -0.02 3.69 1.75 -1.17 -3.00 119.30 119.21 1gcf s MET 84 Ca 0.00 0.39 -0.03 0.00 -1.25 0.00 0.00 55.69 54.80 1gcf s MET 84 Cb 0.00 0.30 0.00 0.00 2.84 0.00 0.00 34.83 37.97 1gcf s MET 84 CO 0.00 -0.13 0.07 0.50 -0.65 0.00 0.00 175.02 174.82 1gcf s ARG 85 N -0.32 0.20 0.44 4.11 3.52 -1.15 -1.35 118.95 124.39 1gcf s ARG 85 Ca -0.05 -0.09 0.03 0.00 -0.13 0.00 0.00 55.73 55.49 1gcf s ARG 85 Cb -0.03 0.08 -0.02 0.00 -1.56 0.00 0.00 34.95 33.42 1gcf s ARG 85 CO 0.03 -0.04 0.10 0.00 -0.81 0.00 0.00 175.30 174.58 1gcf n ILE 87 N -1.02 0.00 -2.40 0.00 3.06 -1.26 -3.79 119.36 113.95 1gcf n ILE 87 Ca -0.10 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.15 1gcf n ILE 87 Cb 0.65 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.83 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 0.34 0.00 9.51 1.74 -1.26 -4.57 116.66 122.42 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 0.43 -1.52 0.00 0.00 177.63 176.54 1gcf n SER 89 N 0.00 0.00 -2.72 0.55 7.64 -1.26 -2.04 113.62 115.78 1gcf n SER 89 Ca 0.00 0.48 -0.02 0.00 1.01 0.00 0.00 58.87 60.35 1gcf n SER 89 Cb 0.00 0.00 0.10 0.00 -1.01 0.00 0.00 64.21 63.30 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 -0.75 -0.56 -4.03 6.43 7.64 -1.26 -4.42 113.62 116.66 1gcf n SER 90 Ca 0.00 -2.18 -0.32 0.00 1.01 0.00 0.00 58.87 57.38 1gcf n SER 90 Cb 0.00 0.35 -0.14 0.00 -1.01 0.00 0.00 64.21 63.40 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 -3.99 4.82 0.07 -3.43 1.02 -1.26 -5.08 118.68 110.82 1gcf s LEU 91 Ca 0.15 -2.23 -0.30 0.00 0.02 0.00 0.00 54.13 51.77 1gcf s LEU 91 Cb 0.41 -1.67 -0.05 0.00 0.02 0.00 0.00 46.19 44.90 1gcf s LEU 91 CO -0.10 -0.39 1.07 -2.16 0.02 0.00 0.00 176.35 174.78 1gcf s PRO 92 N 0.81 4.55 0.00 1.29 0.04 -1.26 -4.67 135.00 135.76 1gcf s PRO 92 Ca 0.11 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.74 1gcf s PRO 92 Cb -0.20 -3.38 0.00 0.00 0.04 0.00 0.00 34.50 30.96 1gcf s PRO 92 CO -0.07 -0.05 0.00 0.41 0.04 0.00 0.00 177.00 177.33 1gcf n GLY 93 N 2.76 0.01 0.00 0.56 0.00 -1.26 -4.98 105.19 102.28 1gcf n GLY 93 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.35 0.00 0.00 1.61 3.72 -1.26 -5.06 117.46 116.12 1gcf n PHE 94 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1gcf n PHE 94 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 1gcf n PHE 94 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 1gcf n TRP 95 N -2.16 0.00 0.00 1.38 7.02 -1.26 -4.83 117.44 117.60 1gcf n TRP 95 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1gcf n TRP 95 Cb 0.39 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.28 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 9.40 0.00 -4.63 -0.99 3.41 -1.25 -4.39 113.62 115.17 1gcf n SER 96 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1gcf n SER 96 Cb 0.00 0.00 -0.02 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.00 3.94 -0.71 4.33 0.04 -1.26 -4.91 135.00 134.44 1gcf s PRO 97 Ca 0.00 1.08 -0.34 0.00 0.04 0.00 0.00 61.00 61.77 1gcf s PRO 97 Cb 0.00 -3.83 -0.18 0.00 0.04 0.00 0.00 34.50 30.53 1gcf s PRO 97 CO 0.00 -1.08 2.44 0.91 0.04 0.00 0.00 177.00 179.31 1gcf n TRP 98 N 7.38 0.98 -2.06 0.56 7.02 -1.26 -4.83 117.44 125.23 1gcf n TRP 98 Ca 0.13 0.43 -0.37 0.00 -1.02 0.00 0.00 57.50 56.67 1gcf n TRP 98 Cb 0.47 -2.41 0.01 0.00 -2.42 0.00 0.00 31.31 26.96 1gcf n TRP 98 CO 0.00 0.00 0.00 -1.12 -2.02 0.00 0.00 177.69 174.55 1gcf s SER 99 N 8.36 5.69 -0.27 -0.99 0.01 -0.46 -4.89 113.70 121.16 1gcf s SER 99 Ca 1.23 2.46 -0.29 0.00 1.31 0.00 0.00 55.95 60.66 1gcf s SER 99 Cb -1.13 -2.61 -0.00 0.00 0.21 0.00 0.00 66.02 62.49 1gcf s SER 99 CO 0.51 -1.26 1.27 -2.16 0.41 0.00 0.00 173.24 172.01 1gcf s PRO 100 N -2.90 4.00 0.00 12.44 0.04 -1.26 -3.01 135.00 144.31 1gcf s PRO 100 Ca 0.69 1.32 0.00 0.00 0.04 0.00 0.00 61.00 63.05 1gcf s PRO 100 Cb -0.33 -3.84 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1gcf s PRO 100 CO 0.38 -1.01 0.00 0.41 0.04 0.00 0.00 177.00 176.82 1gcf n GLY 101 N 4.12 0.95 1.76 0.56 0.00 -1.24 -4.92 105.19 106.42 1gcf n GLY 101 Ca 0.14 0.00 -0.01 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 -3.87 0.99 -0.00 -0.77 -5.01 117.00 108.34 1gcf n LEU 102 Ca 0.00 -0.54 -0.11 0.00 -0.00 0.00 0.00 56.01 55.36 1gcf n LEU 102 Cb 0.00 1.16 -0.12 0.00 -0.00 0.00 0.00 43.42 44.47 1gcf n LEU 102 CO 0.00 -0.18 -0.24 0.00 -0.00 0.00 0.00 177.39 176.97 1gcf s GLN 103 N -2.02 0.27 0.03 1.47 0.00 -1.26 -1.38 119.66 116.77 1gcf s GLN 103 Ca 0.11 -0.14 -0.01 0.00 -0.00 0.00 0.00 55.36 55.33 1gcf s GLN 103 Cb -0.01 0.12 0.00 0.00 0.00 0.00 0.00 33.01 33.12 1gcf s GLN 103 CO 0.02 -0.05 0.04 1.28 0.00 0.00 0.00 175.29 176.58 1gcf n LEU 104 N 2.30 0.00 -4.28 2.60 4.77 -0.86 -5.00 117.00 116.53 1gcf n LEU 104 Ca -0.17 -0.19 -0.36 0.00 -0.03 0.00 0.00 56.01 55.25 1gcf n LEU 104 Cb 0.57 0.22 -0.13 0.00 -2.33 0.00 0.00 43.42 41.75 1gcf n LEU 104 CO 0.22 -0.05 -0.34 -0.13 -1.33 0.00 0.00 177.39 175.75 1gcf s ARG 105 N -2.03 3.01 0.00 3.23 3.00 -1.26 -1.46 118.95 123.43 1gcf s ARG 105 Ca 0.02 -0.88 0.00 0.00 0.00 0.00 0.00 55.73 54.86 1gcf s ARG 105 Cb -0.00 -3.17 0.00 0.00 0.00 0.00 0.00 34.95 31.78 1gcf s ARG 105 CO 0.01 -0.40 0.00 -0.35 0.00 0.00 0.00 175.30 174.56 1gcf n PRO 106 N 4.77 1.86 -0.91 3.54 -0.04 -1.26 -4.95 135.00 138.00 1gcf n PRO 106 Ca -0.16 0.00 -0.32 0.00 -0.04 0.00 0.00 63.50 62.99 1gcf n PRO 106 Cb 0.48 0.00 0.03 0.00 -0.04 0.00 0.00 33.50 33.97 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 -0.04 0.00 1.62 0.52 -2.24 -1.26 -4.77 114.28 108.11 1gcf n THR 107 Ca 0.00 -0.43 0.15 0.00 -2.27 0.00 0.00 64.05 61.50 1gcf n THR 107 Cb 0.00 0.00 0.82 0.00 -2.10 0.00 0.00 70.33 69.05 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 1.91 0.62 0.00 -0.78 2.81 -1.26 -5.05 117.12 115.38 1gcf n MET 108 Ca 0.01 -0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.89 1gcf n MET 108 Cb 0.46 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.47 1gcf n MET 108 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11