#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gcf s SER 2 N 0.00 -0.66 -0.30 1.61 0.01 -1.26 -5.12 113.70 107.98 1gcf s SER 2 Ca 0.00 0.44 -0.14 0.00 1.31 0.00 0.00 55.95 57.56 1gcf s SER 2 Cb 0.00 1.56 0.19 0.00 0.21 0.00 0.00 66.02 67.98 1gcf s SER 2 CO 0.00 -0.12 1.16 -0.55 0.41 0.00 0.00 173.24 174.13 1gcf s SER 3 N 2.91 -0.02 -0.10 2.44 0.15 -1.26 -5.15 113.70 112.67 1gcf s SER 3 Ca 0.03 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.61 1gcf s SER 3 Cb -0.11 0.06 -0.04 0.00 -1.71 0.00 0.00 66.02 64.22 1gcf s SER 3 CO -0.13 -0.00 0.15 -0.76 1.20 0.00 0.00 173.24 173.70 1gcf s LEU 4 N 2.04 4.39 0.18 3.45 1.02 -1.26 -5.09 118.68 123.41 1gcf s LEU 4 Ca 0.15 0.47 -0.18 0.00 0.02 0.00 0.00 54.13 54.59 1gcf s LEU 4 Cb 0.05 -2.16 0.03 0.00 0.02 0.00 0.00 46.19 44.13 1gcf s LEU 4 CO -0.17 0.39 0.51 -1.61 0.02 0.00 0.00 176.35 175.49 1gcf s GLU 5 N -1.16 1.33 1.00 1.70 8.01 -1.26 -5.07 118.70 123.25 1gcf s GLU 5 Ca 0.17 -0.81 -0.17 0.00 0.01 0.00 0.00 54.97 54.17 1gcf s GLU 5 Cb -0.12 0.52 0.22 0.00 -4.31 0.00 0.00 34.13 30.43 1gcf s GLU 5 CO 0.06 -0.56 1.30 -1.25 0.01 0.00 0.00 175.26 174.82 1gcf s PRO 6 N -3.85 0.32 -1.19 0.39 0.04 -1.26 0.05 135.00 129.50 1gcf s PRO 6 Ca 0.08 -0.37 -0.21 0.00 0.04 0.00 0.00 61.00 60.53 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 -0.05 -2.64 1.85 -1.25 0.04 0.00 0.00 177.00 174.96 1gcf s PRO 7 N -5.83 2.99 0.15 0.56 0.04 -1.21 -4.07 135.00 127.64 1gcf s PRO 7 Ca 0.74 -1.34 0.10 0.00 0.04 0.00 0.00 61.00 60.54 1gcf s PRO 7 Cb -0.04 -5.32 -0.04 0.00 0.04 0.00 0.00 34.50 29.13 1gcf s PRO 7 CO 0.54 -3.34 -0.23 1.41 0.04 0.00 0.00 177.00 175.42 1gcf s MET 8 N 5.78 1.34 -0.21 4.56 1.75 -1.14 -4.83 119.30 126.55 1gcf s MET 8 Ca 0.63 -1.37 -0.06 0.00 -1.25 0.00 0.00 55.69 53.64 1gcf s MET 8 Cb 0.00 -1.63 -0.03 0.00 2.84 0.00 0.00 34.83 36.01 1gcf s MET 8 CO 0.09 0.36 0.04 -1.17 -0.65 0.00 0.00 175.02 173.69 1gcf s LEU 9 N -2.35 3.45 0.34 4.11 1.98 -1.26 -2.79 118.68 122.16 1gcf s LEU 9 Ca 0.15 -0.14 0.03 0.00 -2.89 0.00 0.00 54.13 51.28 1gcf s LEU 9 Cb -0.08 -1.89 -0.04 0.00 0.66 0.00 0.00 46.19 44.83 1gcf s LEU 9 CO 0.07 0.06 0.11 -1.10 -1.89 0.00 0.00 176.35 173.59 1gcf s GLN 10 N 1.07 1.69 0.00 1.98 1.11 -0.72 -4.52 119.66 120.27 1gcf s GLN 10 Ca 0.03 -1.98 0.00 0.00 0.01 0.00 0.00 55.36 53.43 1gcf s GLN 10 Cb -0.14 -0.52 0.00 0.00 -1.01 0.00 0.00 33.01 31.34 1gcf s GLN 10 CO 0.02 -0.36 0.00 0.00 0.01 0.00 0.00 175.29 174.97 1gcf n ALA 11 N -0.70 0.00 -2.40 6.09 0.00 -1.26 -1.74 120.51 120.49 1gcf n ALA 11 Ca -0.02 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.24 1gcf n ALA 11 Cb 0.66 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 20.00 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 2.47 -0.34 0.00 2.96 0.13 -4.39 118.68 119.51 1gcf s LEU 12 Ca 0.00 -0.91 -0.17 0.00 -0.22 0.00 0.00 54.13 52.83 1gcf s LEU 12 Cb 0.00 -0.58 -0.01 0.00 0.50 0.00 0.00 46.19 46.11 1gcf s LEU 12 CO 0.00 -0.17 0.47 1.51 -1.32 0.00 0.00 176.35 176.83 1gcf s ASP 13 N -2.84 6.28 0.27 3.68 1.47 -1.26 -4.82 116.67 119.45 1gcf s ASP 13 Ca 0.15 -0.07 0.11 0.00 1.18 0.00 0.00 52.55 53.93 1gcf s ASP 13 Cb -0.02 -2.25 -0.05 0.00 -0.34 0.00 0.00 42.92 40.26 1gcf s ASP 13 CO 0.04 -0.43 -0.16 -0.63 0.68 0.00 0.00 175.17 174.67 1gcf s ILE 14 N 2.27 2.69 0.00 2.11 -1.09 -1.26 -5.05 121.20 120.87 1gcf s ILE 14 Ca 0.17 -2.29 0.00 0.00 -2.23 0.00 0.00 60.65 56.30 1gcf s ILE 14 Cb -0.16 -2.42 0.00 0.00 -1.58 0.00 0.00 42.46 38.31 1gcf s ILE 14 CO 0.13 -0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.06 1gcf n GLY 15 N -0.65 1.24 1.30 6.18 0.00 -1.26 -4.98 105.19 107.02 1gcf n GLY 15 Ca -0.06 0.20 -0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -2.70 1.61 -0.04 -1.26 -4.03 135.00 129.58 1gcf n PRO 16 Ca 0.00 -0.01 -0.06 0.00 -0.04 0.00 0.00 63.50 63.39 1gcf n PRO 16 Cb 0.00 -1.01 0.09 0.00 -0.04 0.00 0.00 33.50 32.55 1gcf n PRO 16 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1gcf n ASP 17 N 1.08 -1.83 -2.46 3.54 9.92 -1.26 -5.01 116.55 120.52 1gcf n ASP 17 Ca 0.00 -2.69 -0.30 0.00 -0.53 0.00 0.00 54.79 51.27 1gcf n ASP 17 Cb 0.50 1.46 0.02 0.00 -0.64 0.00 0.00 41.12 42.47 1gcf n ASP 17 CO 0.00 0.00 0.00 0.55 0.13 0.00 0.00 177.20 177.88 1gcf n VAL 18 N 0.70 2.84 0.00 2.53 3.14 -1.26 -5.01 118.33 121.27 1gcf n VAL 18 Ca 0.01 -4.38 0.00 0.00 -2.96 0.00 0.00 64.34 57.01 1gcf n VAL 18 Cb 0.72 -1.22 0.00 0.00 -1.06 0.00 0.00 33.84 32.28 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 -0.60 0.00 -1.34 1.55 0.31 -1.26 -4.65 118.33 112.33 1gcf n VAL 19 Ca 0.47 0.00 -0.12 0.00 -0.01 0.00 0.00 64.34 64.67 1gcf n VAL 19 Cb 0.63 0.00 0.09 0.00 -0.91 0.00 0.00 33.84 33.65 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 5.77 -0.05 -1.95 4.52 7.64 -1.26 -4.98 113.62 123.30 1gcf n SER 20 Ca 0.00 -1.17 -0.23 0.00 1.01 0.00 0.00 58.87 58.47 1gcf n SER 20 Cb 0.00 -0.43 0.08 0.00 -1.01 0.00 0.00 64.21 62.85 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 -2.81 2.57 -1.64 1.43 1.44 -1.26 -4.98 115.22 109.96 1gcf n HIS 21 Ca 0.07 -2.35 -0.54 0.00 -2.01 0.00 0.00 57.72 52.89 1gcf n HIS 21 Cb 0.24 -0.72 -0.06 0.00 0.12 0.00 0.00 29.99 29.57 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 -0.86 1.16 0.00 -1.40 6.02 -1.26 -4.78 117.38 116.25 1gcf n GLN 22 Ca 0.48 0.42 0.08 0.00 -0.01 0.00 0.00 57.00 57.97 1gcf n GLN 22 Cb 0.90 -2.08 0.49 0.00 1.02 0.00 0.00 30.24 30.57 1gcf n GLN 22 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 1gcf n PRO 23 N 3.76 0.91 -2.73 -1.09 -0.04 -1.26 -4.52 135.00 130.04 1gcf n PRO 23 Ca 0.22 0.00 0.02 0.00 -0.04 0.00 0.00 63.50 63.70 1gcf n PRO 23 Cb 0.17 -1.28 0.01 0.00 -0.04 0.00 0.00 33.50 32.35 1gcf n PRO 23 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1gcf s GLY 24 N -1.61 -1.58 0.10 0.55 0.00 -1.26 -4.60 107.32 98.93 1gcf s GLY 24 Ca 0.25 1.37 -0.13 0.00 0.00 0.00 0.00 44.72 46.21 1gcf s GLY 24 CO 0.19 4.37 0.32 0.00 0.00 0.00 0.00 173.10 177.98 1gcf s LEU 26 N -2.74 2.35 -0.13 0.00 1.43 -0.69 -4.58 118.68 114.32 1gcf s LEU 26 Ca 0.03 -1.51 -0.06 0.00 -1.03 0.00 0.00 54.13 51.56 1gcf s LEU 26 Cb 0.03 -0.55 0.06 0.00 0.03 0.00 0.00 46.19 45.75 1gcf s LEU 26 CO -0.11 -0.70 0.30 0.26 0.23 0.00 0.00 176.35 176.34 1gcf s TRP 27 N -3.02 -0.46 0.00 0.29 0.51 -1.26 -2.57 118.94 112.43 1gcf s TRP 27 Ca 0.25 1.02 0.00 0.00 -2.12 0.00 0.00 56.10 55.25 1gcf s TRP 27 Cb 0.06 0.09 0.00 0.00 -0.81 0.00 0.00 33.47 32.81 1gcf s TRP 27 CO 0.13 -0.32 0.00 1.28 -0.51 0.00 0.00 176.95 177.53 1gcf n LEU 28 N 4.68 0.00 0.00 2.99 4.77 -0.49 0.21 117.00 129.15 1gcf n LEU 28 Ca -0.18 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.80 1gcf n LEU 28 Cb 0.52 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.61 1gcf n LEU 28 CO 0.08 -0.20 0.00 -0.24 -1.33 0.00 0.00 177.39 175.70 1gcf n SER 29 N -1.75 0.00 -4.17 -1.43 2.88 -0.71 -1.33 113.62 107.10 1gcf n SER 29 Ca 0.00 0.00 -0.11 0.00 -1.33 0.00 0.00 58.87 57.43 1gcf n SER 29 Cb 0.00 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.36 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 0.94 0.00 0.66 -2.14 -1.21 -1.75 118.94 115.44 1gcf s TRP 30 Ca 0.00 -1.10 0.00 0.00 2.66 0.00 0.00 56.10 57.66 1gcf s TRP 30 Cb 0.00 -0.55 0.00 0.00 -3.10 0.00 0.00 33.47 29.82 1gcf s TRP 30 CO 0.00 -0.34 0.00 0.36 -2.66 0.00 0.00 176.95 174.31 1gcf n LYS 31 N -0.11 0.00 -2.50 3.25 2.85 -1.12 -2.49 118.16 118.04 1gcf n LYS 31 Ca -0.08 0.00 -0.30 0.00 -1.05 0.00 0.00 58.31 56.88 1gcf n LYS 31 Cb 0.63 0.00 -0.02 0.00 -0.65 0.00 0.00 35.03 34.99 1gcf n LYS 31 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1gcf s PRO 32 N -2.00 3.76 0.00 -1.58 0.04 -1.26 -2.86 135.00 131.09 1gcf s PRO 32 Ca 0.00 0.62 0.00 0.00 0.04 0.00 0.00 61.00 61.66 1gcf s PRO 32 Cb 0.00 -2.26 0.00 0.00 0.04 0.00 0.00 34.50 32.28 1gcf s PRO 32 CO 0.00 -0.23 0.14 -2.67 0.04 0.00 0.00 177.00 174.28 1gcf n TRP 33 N -1.81 0.00 -0.61 0.56 2.14 0.11 -4.55 117.44 113.28 1gcf n TRP 33 Ca 0.04 0.00 -0.22 0.00 2.07 0.00 0.00 57.50 59.39 1gcf n TRP 33 Cb 0.54 0.00 0.14 0.00 -0.81 0.00 0.00 31.31 31.18 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 -0.24 -1.84 -1.37 -2.67 4.76 -1.26 -4.70 118.16 110.83 1gcf n LYS 34 Ca 0.00 -0.54 -0.39 0.00 -2.87 0.00 0.00 58.31 54.51 1gcf n LYS 34 Cb 0.00 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.71 1gcf n LYS 34 CO 0.00 0.00 0.00 -0.35 -1.37 0.00 0.00 177.40 175.68 1gcf n PRO 35 N -1.30 3.56 -0.92 1.97 -0.04 -1.26 -4.80 135.00 132.21 1gcf n PRO 35 Ca 0.04 -2.26 0.00 0.00 -0.04 0.00 0.00 63.50 61.24 1gcf n PRO 35 Cb 0.43 -2.87 0.00 0.00 -0.04 0.00 0.00 33.50 31.01 1gcf n PRO 35 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1gcf n SER 36 N 3.98 -5.08 -0.36 3.54 7.64 -1.26 -4.76 113.62 117.32 1gcf n SER 36 Ca 0.75 0.57 0.07 0.00 1.01 0.00 0.00 58.87 61.27 1gcf n SER 36 Cb 0.25 -1.98 0.29 0.00 -1.01 0.00 0.00 64.21 61.76 1gcf n SER 36 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1gcf n GLU 37 N 0.25 1.46 -1.46 1.43 4.71 -1.26 -4.90 120.64 120.87 1gcf n GLU 37 Ca 0.00 -0.71 -0.01 0.00 -0.01 0.00 0.00 57.16 56.43 1gcf n GLU 37 Cb 0.00 -1.27 0.00 0.00 -1.01 0.00 0.00 31.44 29.16 1gcf n GLU 37 CO 0.00 0.00 0.00 2.48 0.09 0.00 0.00 177.13 179.70 1gcf n TYR 38 N -0.01 -0.93 -2.39 -0.32 0.18 -1.26 -5.09 117.16 107.34 1gcf n TYR 38 Ca 0.12 -0.17 -0.01 0.00 1.88 0.00 0.00 57.90 59.72 1gcf n TYR 38 Cb 0.20 0.08 0.03 0.00 -0.38 0.00 0.00 39.34 39.28 1gcf n TYR 38 CO 0.00 0.00 0.00 -1.33 -2.08 0.00 0.00 176.86 173.45 1gcf n MET 39 N -0.06 0.41 -2.53 -3.48 2.81 -1.26 -5.00 117.12 108.01 1gcf n MET 39 Ca -0.01 -0.43 -0.11 0.00 -1.81 0.00 0.00 57.70 55.34 1gcf n MET 39 Cb 0.06 0.23 0.03 0.00 -0.71 0.00 0.00 33.22 32.83 1gcf n MET 39 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1gcf n GLU 40 N -0.46 2.41 0.00 0.03 1.02 -1.26 -5.05 120.64 117.33 1gcf n GLU 40 Ca -0.07 -3.77 0.00 0.00 -0.02 0.00 0.00 57.16 53.29 1gcf n GLU 40 Cb 0.60 -1.83 0.00 0.00 -0.02 0.00 0.00 31.44 30.18 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 -0.56 0.00 -0.89 3.49 10.64 -1.26 -4.58 117.38 124.22 1gcf n GLN 41 Ca 0.22 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.39 1gcf n GLN 41 Cb 0.85 0.00 0.00 0.00 -0.86 0.00 0.00 30.24 30.23 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 0.00 0.00 -3.54 2.61 0.28 -0.86 -4.82 120.64 114.31 1gcf n GLU 42 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1gcf n GLU 42 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -2.67 0.66 0.07 0.00 -1.05 -0.94 -2.65 118.70 112.12 1gcf s GLU 44 Ca 0.06 -1.02 0.05 0.00 -0.15 0.00 0.00 54.97 53.90 1gcf s GLU 44 Cb -0.01 -0.23 -0.04 0.00 -0.44 0.00 0.00 34.13 33.41 1gcf s GLU 44 CO -0.07 0.01 -0.04 -1.17 0.95 0.00 0.00 175.26 174.95 1gcf s LEU 45 N -2.26 3.32 0.03 1.83 2.96 -0.87 -2.84 118.68 120.85 1gcf s LEU 45 Ca 0.00 -0.20 0.08 0.00 -0.22 0.00 0.00 54.13 53.78 1gcf s LEU 45 Cb -0.03 -2.03 -0.02 0.00 0.50 0.00 0.00 46.19 44.61 1gcf s LEU 45 CO -0.02 0.20 -0.22 -0.60 -1.32 0.00 0.00 176.35 174.39 1gcf s ARG 46 N -2.06 1.59 -0.30 1.98 3.52 -1.04 -1.24 118.95 121.40 1gcf s ARG 46 Ca 0.23 -0.94 -0.10 0.00 -0.13 0.00 0.00 55.73 54.79 1gcf s ARG 46 Cb -0.11 -1.67 0.14 0.00 -1.56 0.00 0.00 34.95 31.75 1gcf s ARG 46 CO 0.15 0.44 0.71 1.52 -0.81 0.00 0.00 175.30 177.30 1gcf s TYR 47 N -0.72 -1.25 0.06 5.12 -0.85 -0.86 -1.39 117.35 117.45 1gcf s TYR 47 Ca 0.09 2.03 0.09 0.00 -0.52 0.00 0.00 57.07 58.76 1gcf s TYR 47 Cb -0.09 0.70 -0.03 0.00 0.38 0.00 0.00 41.96 42.92 1gcf s TYR 47 CO 0.01 -0.63 -0.25 1.14 -1.52 0.00 0.00 175.55 174.30 1gcf s GLN 48 N 2.82 1.60 -0.49 -3.49 -2.07 -0.84 -2.62 119.66 114.58 1gcf s GLN 48 Ca -0.02 -1.12 -0.29 0.00 -1.82 0.00 0.00 55.36 52.12 1gcf s GLN 48 Cb -0.11 -1.83 0.02 0.00 -1.09 0.00 0.00 33.01 30.00 1gcf s GLN 48 CO -0.19 0.46 1.32 -1.25 -1.32 0.00 0.00 175.29 174.31 1gcf s PRO 49 N -1.41 3.53 -0.45 9.60 0.04 -1.26 -1.67 135.00 143.38 1gcf s PRO 49 Ca 0.11 0.64 -0.29 0.00 0.04 0.00 0.00 61.00 61.50 1gcf s PRO 49 Cb -0.10 -4.02 0.02 0.00 0.04 0.00 0.00 34.50 30.45 1gcf s PRO 49 CO 0.03 -1.63 1.25 -0.65 0.04 0.00 0.00 177.00 176.03 1gcf s GLN 50 N 4.96 3.67 0.00 4.56 -0.21 0.87 -4.57 119.66 128.95 1gcf s GLN 50 Ca 0.54 0.71 0.00 0.00 0.02 0.00 0.00 55.36 56.63 1gcf s GLN 50 Cb -0.10 -3.95 0.00 0.00 1.00 0.00 0.00 33.01 29.95 1gcf s GLN 50 CO 0.30 -1.45 0.00 1.47 -2.12 0.00 0.00 175.29 173.49 1gcf n LEU 51 N 8.22 0.00 -0.29 2.90 -0.00 -1.26 -3.16 117.00 123.41 1gcf n LEU 51 Ca 0.14 0.00 0.06 0.00 -0.00 0.00 0.00 56.01 56.21 1gcf n LEU 51 Cb 0.49 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 44.12 1gcf n LEU 51 CO 0.71 0.00 1.10 0.11 -0.00 0.00 0.00 177.39 179.31 1gcf h LYS 52 N 0.00 0.61 -3.32 1.47 1.57 -1.95 -3.43 116.57 111.52 1gcf h LYS 52 Ca 0.00 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.66 1gcf h LYS 52 Cb 0.00 -0.14 -0.16 0.00 0.08 0.00 0.00 32.23 32.02 1gcf h LYS 52 CO 0.00 0.40 -0.19 0.20 -0.57 0.00 0.00 179.45 179.29 1gcf s GLY 53 N -3.46 -0.16 0.26 3.86 0.00 -1.26 -5.18 107.32 101.38 1gcf s GLY 53 Ca -0.12 -0.01 -0.13 0.00 0.00 0.00 0.00 44.72 44.46 1gcf s GLY 53 CO 0.78 -0.24 0.51 0.00 0.00 0.00 0.00 173.10 174.15 1gcf s ALA 54 N -2.95 -0.27 0.00 3.20 0.00 -1.26 -4.94 121.76 115.54 1gcf s ALA 54 Ca -0.02 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.07 1gcf s ALA 54 Cb 0.00 1.04 0.00 0.00 0.00 0.00 0.00 23.12 24.16 1gcf s ALA 54 CO -0.06 -0.87 0.54 0.09 0.00 0.00 0.00 175.76 175.46 1gcf n ASN 55 N -0.52 0.86 -1.48 0.00 3.02 -1.26 -5.09 115.26 110.78 1gcf n ASN 55 Ca -0.02 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.24 1gcf n ASN 55 Cb 0.61 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.78 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 -0.15 -3.92 -5.17 3.10 7.02 -1.26 -5.00 117.44 112.06 1gcf n TRP 56 Ca 0.00 2.05 -0.29 0.00 -1.02 0.00 0.00 57.50 58.24 1gcf n TRP 56 Cb 0.24 -3.27 -0.16 0.00 -2.42 0.00 0.00 31.31 25.70 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 -2.29 1.85 0.33 -0.99 2.01 -1.08 -4.98 115.64 110.48 1gcf s THR 57 Ca 0.00 -1.00 0.10 0.00 0.31 0.00 0.00 61.69 61.10 1gcf s THR 57 Cb 0.00 -1.53 -0.05 0.00 0.01 0.00 0.00 72.50 70.92 1gcf s THR 57 CO 0.00 0.52 -0.04 -0.76 -0.69 0.00 0.00 174.62 173.65 1gcf s LEU 58 N -0.54 2.90 0.01 4.42 1.43 -1.26 -2.03 118.68 123.61 1gcf s LEU 58 Ca 0.09 -1.00 0.00 0.00 -1.03 0.00 0.00 54.13 52.19 1gcf s LEU 58 Cb -0.09 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.84 1gcf s LEU 58 CO -0.01 -0.17 -0.02 -0.69 0.23 0.00 0.00 176.35 175.70 1gcf s VAL 59 N -2.52 0.08 0.00 -1.59 1.01 -0.37 -4.99 120.40 112.02 1gcf s VAL 59 Ca 0.33 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 62.01 1gcf s VAL 59 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 36.38 36.24 1gcf s VAL 59 CO 0.18 -0.14 0.00 0.49 0.00 0.00 0.00 175.10 175.63 1gcf n PHE 60 N 2.61 0.00 -2.15 5.22 3.72 -1.26 -2.05 117.46 123.54 1gcf n PHE 60 Ca -0.16 0.00 -0.18 0.00 -0.05 0.00 0.00 57.45 57.06 1gcf n PHE 60 Cb 0.58 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 39.09 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 -0.83 -4.15 1.38 8.25 -1.26 -4.87 115.22 113.74 1gcf n HIS 61 Ca 0.00 0.00 -0.35 0.00 -0.26 0.00 0.00 57.72 57.11 1gcf n HIS 61 Cb 0.00 -3.47 -0.09 0.00 1.12 0.00 0.00 29.99 27.55 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 -5.46 3.80 0.00 2.41 1.02 -1.08 -5.05 118.68 114.32 1gcf s LEU 62 Ca 0.00 0.17 -0.13 0.00 0.02 0.00 0.00 54.13 54.19 1gcf s LEU 62 Cb 0.00 -1.92 0.18 0.00 0.02 0.00 0.00 46.19 44.47 1gcf s LEU 62 CO 0.00 0.30 0.94 -0.81 0.02 0.00 0.00 176.35 176.80 1gcf n PRO 63 N 2.71 -1.31 -0.17 1.29 -0.04 -1.26 -1.29 135.00 134.94 1gcf n PRO 63 Ca -0.18 -1.47 0.04 0.00 -0.04 0.00 0.00 63.50 61.85 1gcf n PRO 63 Cb 0.53 -1.05 0.12 0.00 -0.04 0.00 0.00 33.50 33.06 1gcf n PRO 63 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 1gcf n SER 64 N -3.79 1.65 -3.42 3.54 3.41 -1.26 -4.25 113.62 109.49 1gcf n SER 64 Ca 0.12 -2.08 0.02 0.00 -0.26 0.00 0.00 58.87 56.67 1gcf n SER 64 Cb 0.43 -0.27 -0.05 0.00 -0.26 0.00 0.00 64.21 64.06 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 -0.81 -0.19 -0.01 4.04 1.04 -1.26 -4.66 113.70 111.84 1gcf s SER 65 Ca 0.17 0.28 0.07 0.00 0.48 0.00 0.00 55.95 56.95 1gcf s SER 65 Cb 0.10 1.16 -0.02 0.00 0.10 0.00 0.00 66.02 67.37 1gcf s SER 65 CO 0.10 -0.04 -0.22 -0.75 0.98 0.00 0.00 173.24 173.31 1gcf s LYS 66 N 1.71 1.75 0.01 4.02 2.47 -1.04 -5.00 119.74 123.65 1gcf s LYS 66 Ca -0.04 -0.80 -0.25 0.00 -1.56 0.00 0.00 55.97 53.32 1gcf s LYS 66 Cb -0.02 -1.71 -0.14 0.00 -1.46 0.00 0.00 37.83 34.49 1gcf s LYS 66 CO -0.14 0.47 1.08 -0.44 0.16 0.00 0.00 175.35 176.48 1gcf h ASP 67 N 5.54 -0.68 -1.96 1.43 3.32 -1.91 -3.20 116.42 118.97 1gcf h ASP 67 Ca -0.40 -0.01 -0.42 0.00 0.02 0.00 0.00 57.03 56.21 1gcf h ASP 67 Cb 1.14 0.18 -0.31 0.00 0.22 0.00 0.00 39.33 40.55 1gcf h ASP 67 CO 0.47 -0.30 -0.77 0.00 -1.72 0.00 0.00 179.24 176.92 1gcf s GLN 68 N -4.53 0.83 0.50 3.56 -2.07 -1.26 -4.57 119.66 112.12 1gcf s GLN 68 Ca -0.13 -1.43 -0.19 0.00 -1.82 0.00 0.00 55.36 51.79 1gcf s GLN 68 Cb 0.02 -0.89 -0.12 0.00 -1.09 0.00 0.00 33.01 30.92 1gcf s GLN 68 CO 0.43 -1.30 0.34 0.34 -1.32 0.00 0.00 175.29 173.77 1gcf n PHE 69 N 3.41 -1.29 -3.97 9.60 -0.00 -0.45 -4.60 117.46 120.18 1gcf n PHE 69 Ca 0.20 0.50 -0.31 0.00 -0.00 0.00 0.00 57.45 57.84 1gcf n PHE 69 Cb 0.48 -1.88 -0.15 0.00 -0.00 0.00 0.00 39.48 37.92 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 -1.60 1.70 0.40 -4.13 2.02 -1.26 -1.40 118.70 114.43 1gcf s GLU 70 Ca 0.64 -1.16 0.07 0.00 0.02 0.00 0.00 54.97 54.54 1gcf s GLU 70 Cb -0.51 -2.69 -0.06 0.00 0.10 0.00 0.00 34.13 30.97 1gcf s GLU 70 CO 0.59 -0.64 0.14 -1.17 0.02 0.00 0.00 175.26 174.19 1gcf s LEU 71 N 1.29 3.08 -0.09 1.80 2.96 -1.06 -5.00 118.68 121.66 1gcf s LEU 71 Ca -0.04 -1.10 -0.30 0.00 -0.22 0.00 0.00 54.13 52.47 1gcf s LEU 71 Cb -0.19 -1.37 0.11 0.00 0.50 0.00 0.00 46.19 45.25 1gcf s LEU 71 CO -0.07 -0.49 0.95 0.00 -1.32 0.00 0.00 176.35 175.42 1gcf n GLY 73 N 0.29 1.17 2.78 0.00 0.00 -1.26 -5.01 105.19 103.16 1gcf n GLY 73 Ca -0.09 -0.39 -0.34 0.00 0.00 0.00 0.00 46.02 45.20 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 -0.07 5.89 -2.86 0.99 4.77 -1.26 -4.81 117.00 119.66 1gcf n LEU 74 Ca 0.00 -5.52 -0.25 0.00 -0.03 0.00 0.00 56.01 50.21 1gcf n LEU 74 Cb 0.23 -0.88 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 1gcf n LEU 74 CO 0.00 2.18 0.10 0.00 -1.33 0.00 0.00 177.39 178.34 1gcf n HIS 75 N -0.05 3.32 0.00 -1.77 1.44 -1.26 -4.65 115.22 112.25 1gcf n HIS 75 Ca 0.38 -3.74 0.00 0.00 -2.01 0.00 0.00 57.72 52.36 1gcf n HIS 75 Cb 0.33 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 30.05 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 -0.23 2.47 -4.42 -1.40 6.02 -1.26 -5.08 117.38 113.49 1gcf n GLN 76 Ca 0.31 0.00 -0.23 0.00 -0.01 0.00 0.00 57.00 57.07 1gcf n GLN 76 Cb 0.50 -0.83 -0.10 0.00 1.02 0.00 0.00 30.24 30.82 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 -1.57 2.49 0.16 -1.58 0.00 -1.26 -4.96 121.76 115.03 1gcf s ALA 77 Ca 0.00 -1.76 0.03 0.00 0.00 0.00 0.00 51.96 50.23 1gcf s ALA 77 Cb 0.00 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1gcf s ALA 77 CO 0.00 0.25 1.36 -1.00 0.00 0.00 0.00 175.76 176.37 1gcf h PRO 78 N 2.56 0.15 -4.45 0.00 0.13 -1.95 -3.44 132.00 125.00 1gcf h PRO 78 Ca -0.41 -0.18 -0.48 0.00 -0.87 0.00 0.00 66.00 64.06 1gcf h PRO 78 Cb 1.24 0.06 -0.33 0.00 0.13 0.00 0.00 31.00 32.09 1gcf h PRO 78 CO 0.58 0.96 -0.80 0.54 -0.23 0.00 0.00 178.00 179.04 1gcf s VAL 79 N -3.10 0.97 -0.03 1.56 0.11 -1.19 -4.69 120.40 114.03 1gcf s VAL 79 Ca -0.02 -0.39 0.01 0.00 -2.93 0.00 0.00 61.98 58.65 1gcf s VAL 79 Cb 0.10 -0.90 -0.03 0.00 -1.53 0.00 0.00 36.38 34.02 1gcf s VAL 79 CO 0.83 0.32 -0.04 -0.31 -3.33 0.00 0.00 175.10 172.56 1gcf s TYR 80 N 0.65 2.99 0.12 1.54 1.51 -0.53 -0.09 117.35 123.54 1gcf s TYR 80 Ca -0.13 0.04 0.06 0.00 -1.01 0.00 0.00 57.07 56.04 1gcf s TYR 80 Cb -0.15 -1.68 -0.04 0.00 -0.11 0.00 0.00 41.96 39.99 1gcf s TYR 80 CO 0.03 0.40 -0.03 0.99 -1.11 0.00 0.00 175.55 175.83 1gcf s THR 81 N -0.96 3.74 -0.12 -0.71 2.01 -0.67 -2.03 115.64 116.90 1gcf s THR 81 Ca 0.16 -1.20 -0.06 0.00 0.31 0.00 0.00 61.69 60.90 1gcf s THR 81 Cb -0.11 -2.80 0.05 0.00 0.01 0.00 0.00 72.50 69.65 1gcf s THR 81 CO 0.06 0.05 0.28 -0.76 -0.69 0.00 0.00 174.62 173.56 1gcf s LEU 82 N -2.48 0.13 0.00 4.42 1.02 -0.50 -1.98 118.68 119.29 1gcf s LEU 82 Ca 0.25 0.61 0.00 0.00 0.02 0.00 0.00 54.13 55.01 1gcf s LEU 82 Cb -0.11 0.84 0.00 0.00 0.02 0.00 0.00 46.19 46.94 1gcf s LEU 82 CO 0.17 -0.19 0.00 1.67 0.02 0.00 0.00 176.35 178.02 1gcf n GLN 83 N 4.55 1.91 -3.65 1.70 -0.06 -0.49 -1.68 117.38 119.65 1gcf n GLN 83 Ca -0.20 0.00 -0.07 0.00 -2.00 0.00 0.00 57.00 54.73 1gcf n GLN 83 Cb 0.52 0.00 -0.07 0.00 -4.06 0.00 0.00 30.24 26.63 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 -1.92 0.63 0.18 3.69 -2.45 -1.15 -2.51 119.30 115.79 1gcf s MET 84 Ca 0.00 1.17 0.11 0.00 -1.25 0.00 0.00 55.69 55.72 1gcf s MET 84 Cb 0.00 0.18 -0.04 0.00 1.25 0.00 0.00 34.83 36.22 1gcf s MET 84 CO 0.00 -0.16 -0.24 0.50 1.05 0.00 0.00 175.02 176.17 1gcf s ARG 85 N 1.74 1.49 0.05 4.11 3.52 -1.13 -1.45 118.95 127.28 1gcf s ARG 85 Ca -0.09 -1.50 0.00 0.00 -0.13 0.00 0.00 55.73 54.01 1gcf s ARG 85 Cb -0.06 -1.83 -0.03 0.00 -1.56 0.00 0.00 34.95 31.46 1gcf s ARG 85 CO -0.18 0.40 -0.04 0.00 -0.81 0.00 0.00 175.30 174.66 1gcf s ILE 87 N -3.01 0.00 0.00 0.00 2.07 -1.23 -3.94 121.20 115.09 1gcf s ILE 87 Ca 0.01 -0.64 0.00 0.00 -1.41 0.00 0.00 60.65 58.61 1gcf s ILE 87 Cb 0.01 -2.42 0.00 0.00 0.13 0.00 0.00 42.46 40.19 1gcf s ILE 87 CO -0.06 0.00 0.00 -2.11 -1.91 0.00 0.00 174.94 170.86 1gcf n ARG 88 N -0.57 2.96 0.00 3.50 -4.01 -1.26 -2.02 116.66 115.26 1gcf n ARG 88 Ca -0.05 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.76 1gcf n ARG 88 Cb 0.60 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 30.02 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 0.00 0.00 0.00 2.89 7.64 -1.26 -4.21 113.62 118.68 1gcf n SER 89 Ca 0.00 0.00 -0.04 0.00 1.01 0.00 0.00 58.87 59.84 1gcf n SER 89 Cb 0.00 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.09 1gcf n SER 89 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 1gcf n SER 90 N -1.62 0.80 -3.90 6.43 2.88 -1.26 -4.74 113.62 112.21 1gcf n SER 90 Ca 0.00 0.37 -0.30 0.00 -1.33 0.00 0.00 58.87 57.60 1gcf n SER 90 Cb 0.00 0.14 -0.15 0.00 -0.75 0.00 0.00 64.21 63.45 1gcf n SER 90 CO 0.00 0.00 0.00 -1.48 -1.23 0.00 0.00 175.04 172.33 1gcf s LEU 91 N -5.88 3.57 0.39 2.46 2.34 -1.26 -5.11 118.68 115.19 1gcf s LEU 91 Ca -0.04 -1.85 -0.23 0.00 0.06 0.00 0.00 54.13 52.07 1gcf s LEU 91 Cb 0.08 -1.29 -0.10 0.00 -0.56 0.00 0.00 46.19 44.32 1gcf s LEU 91 CO 0.82 -0.38 0.97 -2.16 -1.06 0.00 0.00 176.35 174.55 1gcf s PRO 92 N 1.22 4.32 0.00 1.48 0.04 -1.26 -4.68 135.00 136.12 1gcf s PRO 92 Ca 0.08 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.41 1gcf s PRO 92 Cb -0.18 -2.47 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1gcf s PRO 92 CO -0.14 0.03 0.00 0.41 0.04 0.00 0.00 177.00 177.34 1gcf n GLY 93 N 0.01 0.01 0.11 0.56 0.00 -1.26 -4.98 105.19 99.63 1gcf n GLY 93 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.08 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 -0.97 0.00 -1.92 1.61 3.72 -1.26 -4.97 117.46 113.67 1gcf n PHE 94 Ca 0.00 -0.30 -0.15 0.00 -0.05 0.00 0.00 57.45 56.96 1gcf n PHE 94 Cb 0.00 -0.05 -0.04 0.00 -0.94 0.00 0.00 39.48 38.46 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 -0.37 -0.79 -1.12 1.38 7.02 -1.26 -4.59 117.44 117.70 1gcf n TRP 95 Ca 0.02 0.00 0.12 0.00 -1.02 0.00 0.00 57.50 56.63 1gcf n TRP 95 Cb 0.49 -2.91 -0.04 0.00 -2.42 0.00 0.00 31.31 26.43 1gcf n TRP 95 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 1gcf n SER 96 N -1.25 -5.76 -4.69 -0.99 7.64 -1.25 -4.28 113.62 103.04 1gcf n SER 96 Ca -0.16 0.66 -0.42 0.00 1.01 0.00 0.00 58.87 59.96 1gcf n SER 96 Cb 0.55 -3.59 -0.03 0.00 -1.01 0.00 0.00 64.21 60.14 1gcf n SER 96 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1gcf s PRO 97 N -3.08 4.43 -0.88 1.43 0.04 -1.26 -4.89 135.00 130.79 1gcf s PRO 97 Ca 0.00 1.48 -0.21 0.00 0.04 0.00 0.00 61.00 62.32 1gcf s PRO 97 Cb 0.00 -3.52 -0.23 0.00 0.04 0.00 0.00 34.50 30.80 1gcf s PRO 97 CO 0.00 -0.29 2.38 0.91 0.04 0.00 0.00 177.00 180.04 1gcf n TRP 98 N 4.78 0.61 -1.53 0.56 7.02 -1.26 -4.79 117.44 122.83 1gcf n TRP 98 Ca 0.09 0.10 -0.44 0.00 -1.02 0.00 0.00 57.50 56.23 1gcf n TRP 98 Cb 0.48 -1.74 -0.01 0.00 -2.42 0.00 0.00 31.31 27.62 1gcf n TRP 98 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 1gcf n SER 99 N 11.32 0.35 -4.65 -0.99 2.88 -0.53 -4.82 113.62 117.18 1gcf n SER 99 Ca 0.58 1.09 -0.43 0.00 -1.33 0.00 0.00 58.87 58.78 1gcf n SER 99 Cb 0.24 -1.20 -0.02 0.00 -0.75 0.00 0.00 64.21 62.48 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 -1.52 4.14 0.00 -1.46 0.04 -1.26 -2.92 135.00 132.02 1gcf s PRO 100 Ca 0.61 1.30 0.00 0.00 0.04 0.00 0.00 61.00 62.95 1gcf s PRO 100 Cb -0.70 -3.73 0.00 0.00 0.04 0.00 0.00 34.50 30.11 1gcf s PRO 100 CO 0.59 -0.80 0.00 0.41 0.04 0.00 0.00 177.00 177.23 1gcf n GLY 101 N 3.70 0.40 3.91 0.56 0.00 -1.24 -4.71 105.19 107.80 1gcf n GLY 101 Ca 0.13 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.13 1gcf n GLY 101 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1gcf s LEU 102 N 0.00 0.01 -0.02 0.99 2.34 -0.68 -4.93 118.68 116.38 1gcf s LEU 102 Ca 0.00 -0.56 -0.00 0.00 0.06 0.00 0.00 54.13 53.63 1gcf s LEU 102 Cb 0.00 1.89 0.03 0.00 -0.56 0.00 0.00 46.19 47.55 1gcf s LEU 102 CO 0.00 -0.82 0.04 0.00 -1.06 0.00 0.00 176.35 174.51 1gcf s GLN 103 N -2.12 -0.01 0.00 1.48 -2.07 -1.26 -1.41 119.66 114.26 1gcf s GLN 103 Ca 0.24 0.18 0.00 0.00 -1.82 0.00 0.00 55.36 53.96 1gcf s GLN 103 Cb -0.02 -0.19 0.00 0.00 -1.09 0.00 0.00 33.01 31.71 1gcf s GLN 103 CO 0.04 -0.14 0.00 1.28 -1.32 0.00 0.00 175.29 175.15 1gcf n LEU 104 N 3.98 0.00 -4.33 2.60 4.77 -0.86 -4.97 117.00 118.19 1gcf n LEU 104 Ca -0.25 0.00 -0.37 0.00 -0.03 0.00 0.00 56.01 55.36 1gcf n LEU 104 Cb 0.52 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.48 1gcf n LEU 104 CO 0.22 0.00 -0.29 -0.13 -1.33 0.00 0.00 177.39 175.86 1gcf s ARG 105 N -1.90 3.09 0.00 3.23 3.00 -1.26 -1.45 118.95 123.66 1gcf s ARG 105 Ca 0.00 -0.85 0.00 0.00 0.00 0.00 0.00 55.73 54.88 1gcf s ARG 105 Cb 0.00 -3.32 0.00 0.00 0.00 0.00 0.00 34.95 31.63 1gcf s ARG 105 CO 0.00 -0.42 0.00 -0.35 0.00 0.00 0.00 175.30 174.53 1gcf n PRO 106 N 4.84 1.36 -1.58 3.54 -0.04 -1.26 -4.92 135.00 136.94 1gcf n PRO 106 Ca -0.15 0.00 -0.46 0.00 -0.04 0.00 0.00 63.50 62.85 1gcf n PRO 106 Cb 0.48 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.91 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 1.53 0.26 0.52 -2.24 -1.26 -4.87 114.28 108.13 1gcf n THR 107 Ca 0.00 -0.38 0.11 0.00 -2.27 0.00 0.00 64.05 61.51 1gcf n THR 107 Cb 0.00 -0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 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 1.18 0.48 0.00 -0.78 0.00 -1.26 -4.86 117.12 111.89 1gcf n MET 108 Ca 0.12 -0.13 0.07 0.00 0.00 0.00 0.00 57.70 57.76 1gcf n MET 108 Cb 0.29 -1.54 0.06 0.00 0.00 0.00 0.00 33.22 32.03 1gcf n MET 108 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14