#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1htf s GLN 2 N 0.00 3.07 -0.18 -0.52 0.74 -1.26 -5.07 119.66 116.43 1htf s GLN 2 Ca 0.00 -0.84 -0.08 0.00 0.05 0.00 0.00 55.36 54.49 1htf s GLN 2 Cb 0.00 -3.97 -0.04 0.00 1.10 0.00 0.00 33.01 30.10 1htf s GLN 2 CO 0.00 -0.81 0.08 0.42 -0.55 0.00 0.00 175.29 174.43 1htf s ILE 3 N 1.97 4.92 0.28 -2.34 1.01 -1.26 -5.11 121.20 120.67 1htf s ILE 3 Ca 0.10 0.01 0.02 0.00 0.00 0.00 0.00 60.65 60.77 1htf s ILE 3 Cb -0.18 -3.22 -0.03 0.00 0.01 0.00 0.00 42.46 39.04 1htf s ILE 3 CO 0.12 0.46 0.45 0.42 0.00 0.00 0.00 174.94 176.40 1htf s THR 4 N 0.33 5.18 -0.24 2.92 -4.23 -1.26 -5.04 115.64 113.30 1htf s THR 4 Ca 0.04 -0.62 0.13 0.00 -1.18 0.00 0.00 61.69 60.06 1htf s THR 4 Cb -0.12 -3.83 0.54 0.00 1.34 0.00 0.00 72.50 70.42 1htf s THR 4 CO -0.00 -0.40 1.48 0.18 -0.54 0.00 0.00 174.62 175.33 1htf n LEU 5 N -1.42 4.21 0.22 4.79 4.77 -1.26 -4.37 117.00 123.94 1htf n LEU 5 Ca -0.06 -3.35 0.06 0.00 -0.03 0.00 0.00 56.01 52.63 1htf n LEU 5 Cb 0.56 -0.60 0.52 0.00 -2.33 0.00 0.00 43.42 41.56 1htf n LEU 5 CO 0.47 0.92 0.87 -0.50 -1.33 0.00 0.00 177.39 177.83 1htf h TRP 6 N 1.49 0.00 -2.04 -1.77 4.06 -2.06 -3.43 115.95 112.21 1htf h TRP 6 Ca 0.13 0.00 -0.58 0.00 2.06 0.00 0.00 58.89 60.49 1htf h TRP 6 Cb 1.64 0.00 -0.11 0.00 -1.00 0.00 0.00 29.16 29.69 1htf h TRP 6 CO 0.79 0.21 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.58 1htf s GLN 7 N -4.43 2.05 0.22 0.49 -1.52 -1.26 -5.09 119.66 110.11 1htf s GLN 7 Ca -0.03 -1.68 -0.32 0.00 -1.95 0.00 0.00 55.36 51.38 1htf s GLN 7 Cb 0.15 -1.95 -0.12 0.00 -0.22 0.00 0.00 33.01 30.87 1htf s GLN 7 CO 0.68 0.22 1.71 0.54 -0.25 0.00 0.00 175.29 178.20 1htf n ARG 8 N -0.88 2.78 -2.03 2.91 1.74 -1.26 -4.87 116.66 115.06 1htf n ARG 8 Ca -0.05 1.00 -0.36 0.00 -0.77 0.00 0.00 57.85 57.67 1htf n ARG 8 Cb 0.61 -2.85 -0.04 0.00 -1.02 0.00 0.00 32.46 29.17 1htf n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 1htf n PRO 9 N 3.78 2.14 -2.90 5.56 -0.04 -1.26 -4.93 135.00 137.34 1htf n PRO 9 Ca 0.15 -2.60 -0.41 0.00 -0.04 0.00 0.00 63.50 60.60 1htf n PRO 9 Cb 0.35 -3.50 -0.04 0.00 -0.04 0.00 0.00 33.50 30.27 1htf n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1htf s LEU 10 N 6.76 4.37 0.17 1.53 1.02 -1.26 -0.22 118.68 131.06 1htf s LEU 10 Ca 0.61 1.43 0.04 0.00 0.02 0.00 0.00 54.13 56.23 1htf s LEU 10 Cb 0.04 -3.30 -0.05 0.00 0.02 0.00 0.00 46.19 42.91 1htf s LEU 10 CO 0.10 -0.14 -0.08 0.54 0.02 0.00 0.00 176.35 176.80 1htf s VAL 11 N 0.67 1.16 -0.09 -1.59 0.11 0.14 -4.90 120.40 115.90 1htf s VAL 11 Ca 0.43 -2.06 -0.23 0.00 -2.93 0.00 0.00 61.98 57.19 1htf s VAL 11 Cb -0.20 -2.00 -0.04 0.00 -1.53 0.00 0.00 36.38 32.62 1htf s VAL 11 CO 0.23 -0.62 0.67 0.28 -3.33 0.00 0.00 175.10 172.33 1htf s THR 12 N -3.34 5.05 0.14 5.04 -1.32 -1.26 -0.37 115.64 119.58 1htf s THR 12 Ca 0.20 1.37 0.09 0.00 -1.21 0.00 0.00 61.69 62.15 1htf s THR 12 Cb 0.03 -4.01 -0.04 0.00 -1.51 0.00 0.00 72.50 66.97 1htf s THR 12 CO 0.03 0.24 -0.15 0.27 -2.21 0.00 0.00 174.62 172.80 1htf s ILE 13 N 0.93 2.97 -0.15 5.08 -4.36 0.90 -0.88 121.20 125.69 1htf s ILE 13 Ca 0.35 -1.55 0.01 0.00 -0.26 0.00 0.00 60.65 59.20 1htf s ILE 13 Cb -0.17 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.14 1htf s ILE 13 CO 0.16 0.03 -0.18 -0.75 0.24 0.00 0.00 174.94 174.45 1htf s LYS 14 N -2.37 3.14 -0.11 0.37 2.20 -0.04 0.19 119.74 123.11 1htf s LYS 14 Ca 0.20 -0.79 -0.06 0.00 -0.36 0.00 0.00 55.97 54.97 1htf s LYS 14 Cb -0.10 -2.56 0.05 0.00 -1.51 0.00 0.00 37.83 33.70 1htf s LYS 14 CO 0.12 -0.01 0.27 -1.50 -0.36 0.00 0.00 175.35 173.87 1htf s ILE 15 N 0.85 -0.03 -1.73 5.43 2.07 0.43 -1.75 121.20 126.46 1htf s ILE 15 Ca -0.05 0.12 0.00 0.00 -1.41 0.00 0.00 60.65 59.31 1htf s ILE 15 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.03 1htf s ILE 15 CO -0.01 0.05 0.00 0.61 -1.91 0.00 0.00 174.94 173.68 1htf n GLY 16 N 4.06 -0.20 2.03 1.50 0.00 -1.26 -0.93 105.19 110.39 1htf n GLY 16 Ca -0.23 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.73 1htf n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htf n GLY 17 N -0.97 2.27 3.78 -0.02 0.00 -1.26 -5.03 105.19 103.97 1htf n GLY 17 Ca -0.23 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.43 1htf n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1htf s GLN 18 N -0.39 3.37 -0.07 1.61 -0.21 -0.11 -5.10 119.66 118.76 1htf s GLN 18 Ca 0.00 -0.25 -0.17 0.00 0.02 0.00 0.00 55.36 54.96 1htf s GLN 18 Cb 0.00 -3.07 -0.05 0.00 1.00 0.00 0.00 33.01 30.89 1htf s GLN 18 CO 0.00 0.68 0.46 -0.51 -2.12 0.00 0.00 175.29 173.80 1htf s LEU 19 N -0.78 4.35 0.13 2.90 1.43 -1.26 -0.43 118.68 125.03 1htf s LEU 19 Ca 0.13 0.88 -0.03 0.00 -1.03 0.00 0.00 54.13 54.08 1htf s LEU 19 Cb -0.12 -2.66 -0.03 0.00 0.03 0.00 0.00 46.19 43.41 1htf s LEU 19 CO 0.03 0.12 0.10 -0.54 0.23 0.00 0.00 176.35 176.29 1htf s LYS 20 N -0.03 0.96 0.06 1.70 1.02 0.13 -4.98 119.74 118.59 1htf s LYS 20 Ca 0.25 -1.37 0.04 0.00 0.02 0.00 0.00 55.97 54.91 1htf s LYS 20 Cb -0.16 0.27 -0.04 0.00 -0.52 0.00 0.00 37.83 37.38 1htf s LYS 20 CO 0.12 -0.29 0.01 -1.21 -0.92 0.00 0.00 175.35 173.05 1htf s GLU 21 N -4.02 2.65 0.05 1.68 2.02 -1.26 -0.07 118.70 119.75 1htf s GLU 21 Ca 0.22 -0.75 -0.05 0.00 0.02 0.00 0.00 54.97 54.41 1htf s GLU 21 Cb 0.07 -2.60 -0.02 0.00 0.10 0.00 0.00 34.13 31.68 1htf s GLU 21 CO 0.01 0.57 0.07 0.00 0.02 0.00 0.00 175.26 175.93 1htf s ALA 22 N -1.25 0.10 -0.19 5.21 0.00 0.50 -4.53 121.76 121.60 1htf s ALA 22 Ca 0.24 -0.79 -0.21 0.00 0.00 0.00 0.00 51.96 51.20 1htf s ALA 22 Cb -0.12 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.29 1htf s ALA 22 CO 0.16 -0.38 0.63 -1.17 0.00 0.00 0.00 175.76 175.01 1htf s LEU 23 N -2.55 4.15 -0.06 0.00 2.96 0.11 0.24 118.68 123.54 1htf s LEU 23 Ca 0.01 0.85 -0.30 0.00 -0.22 0.00 0.00 54.13 54.47 1htf s LEU 23 Cb 0.03 -2.90 -0.04 0.00 0.50 0.00 0.00 46.19 43.78 1htf s LEU 23 CO -0.08 -0.26 1.43 -0.76 -1.32 0.00 0.00 176.35 175.36 1htf s LEU 24 N 1.85 4.28 -0.39 -0.68 1.43 0.70 -1.49 118.68 124.37 1htf s LEU 24 Ca 0.29 2.03 0.01 0.00 -1.03 0.00 0.00 54.13 55.43 1htf s LEU 24 Cb -0.16 -3.55 0.13 0.00 0.03 0.00 0.00 46.19 42.64 1htf s LEU 24 CO 0.11 -0.78 0.20 -0.62 0.23 0.00 0.00 176.35 175.48 1htf s ASP 25 N 2.30 3.63 0.53 2.29 -1.08 -0.35 -4.82 116.67 119.18 1htf s ASP 25 Ca 0.64 -2.29 0.32 0.00 -0.52 0.00 0.00 52.55 50.70 1htf s ASP 25 Cb -0.29 -0.88 1.75 0.00 -1.46 0.00 0.00 42.92 42.04 1htf s ASP 25 CO 0.24 -0.31 1.98 0.71 0.52 0.00 0.00 175.17 178.31 1htf h THR 26 N 5.53 0.00 -0.24 1.71 1.35 -1.94 -2.17 112.91 117.16 1htf h THR 26 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 1htf h THR 26 Cb 0.96 0.72 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1htf h THR 26 CO 0.44 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.32 1htf n GLY 27 N -1.19 0.70 3.55 5.82 0.00 -1.26 -4.81 105.19 108.01 1htf n GLY 27 Ca -0.02 -0.50 -0.34 0.00 0.00 0.00 0.00 46.02 45.15 1htf n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htf s ALA 28 N -1.69 3.21 0.08 4.61 0.00 -0.81 -5.00 121.76 122.16 1htf s ALA 28 Ca 0.33 -0.83 0.12 0.00 0.00 0.00 0.00 51.96 51.58 1htf s ALA 28 Cb 0.18 -1.80 0.16 0.00 0.00 0.00 0.00 23.12 21.67 1htf s ALA 28 CO 0.27 0.09 1.48 -0.44 0.00 0.00 0.00 175.76 177.16 1htf h ASP 29 N 6.93 0.00 -1.99 0.00 3.32 -1.87 0.20 116.42 123.01 1htf h ASP 29 Ca -0.35 0.00 -0.59 0.00 0.02 0.00 0.00 57.03 56.12 1htf h ASP 29 Cb 1.18 0.00 -0.11 0.00 0.22 0.00 0.00 39.33 40.62 1htf h ASP 29 CO 0.65 0.66 -0.64 -1.81 -1.72 0.00 0.00 179.24 176.38 1htf s ASP 30 N -6.61 4.13 -0.23 6.45 1.01 -1.26 -2.32 116.67 117.84 1htf s ASP 30 Ca 0.01 -0.96 -0.13 0.00 0.71 0.00 0.00 52.55 52.18 1htf s ASP 30 Cb 0.10 -0.54 -0.04 0.00 1.01 0.00 0.00 42.92 43.45 1htf s ASP 30 CO 0.76 -0.17 0.27 -0.89 0.21 0.00 0.00 175.17 175.35 1htf s THR 31 N -2.50 5.28 -0.06 -1.27 2.01 -1.26 -3.12 115.64 114.73 1htf s THR 31 Ca 0.34 0.42 0.02 0.00 0.31 0.00 0.00 61.69 62.77 1htf s THR 31 Cb -0.01 -3.61 0.02 0.00 0.01 0.00 0.00 72.50 68.91 1htf s THR 31 CO 0.19 0.29 -0.09 0.54 -0.69 0.00 0.00 174.62 174.86 1htf s VAL 32 N 1.25 0.88 0.10 3.82 0.11 -0.14 -1.43 120.40 124.98 1htf s VAL 32 Ca 0.13 -0.32 0.05 0.00 -2.93 0.00 0.00 61.98 58.91 1htf s VAL 32 Cb -0.14 -0.84 -0.04 0.00 -1.53 0.00 0.00 36.38 33.83 1htf s VAL 32 CO 0.06 0.30 0.01 -0.76 -3.33 0.00 0.00 175.10 171.39 1htf s LEU 33 N 0.83 3.49 0.99 2.54 1.43 0.42 -0.75 118.68 127.64 1htf s LEU 33 Ca -0.12 -0.18 -0.15 0.00 -1.03 0.00 0.00 54.13 52.65 1htf s LEU 33 Cb -0.15 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 43.89 1htf s LEU 33 CO 0.02 0.16 0.17 -0.62 0.23 0.00 0.00 176.35 176.31 1htf n GLU 34 N 0.44 -0.56 -1.71 1.70 1.02 -1.26 -0.75 120.64 119.53 1htf n GLU 34 Ca -0.10 -0.13 -0.43 0.00 -0.02 0.00 0.00 57.16 56.47 1htf n GLU 34 Cb 0.52 -1.73 -0.03 0.00 -0.02 0.00 0.00 31.44 30.18 1htf n GLU 34 CO 0.00 0.00 0.00 0.39 1.18 0.00 0.00 177.13 178.70 1htf n GLU 35 N -1.35 2.56 -3.52 3.49 -0.58 -1.21 -4.39 120.64 115.65 1htf n GLU 35 Ca 0.04 0.92 -0.13 0.00 -0.42 0.00 0.00 57.16 57.57 1htf n GLU 35 Cb 0.56 -2.73 -0.04 0.00 -0.57 0.00 0.00 31.44 28.66 1htf n GLU 35 CO 0.00 0.00 0.00 1.41 -0.48 0.00 0.00 177.13 178.06 1htf s MET 36 N 0.79 0.93 -0.69 3.49 -2.45 -1.26 -5.04 119.30 115.08 1htf s MET 36 Ca 0.74 0.01 -0.25 0.00 -1.25 0.00 0.00 55.69 54.94 1htf s MET 36 Cb -0.56 0.44 -0.13 0.00 1.25 0.00 0.00 34.83 35.83 1htf s MET 36 CO 0.37 -0.33 2.42 0.43 1.05 0.00 0.00 175.02 178.95 1htf n SER 37 N 0.45 1.74 -4.37 1.11 7.64 -1.26 -4.99 113.62 113.94 1htf n SER 37 Ca -0.15 -0.92 -0.33 0.00 1.01 0.00 0.00 58.87 58.49 1htf n SER 37 Cb 0.59 -1.52 -0.15 0.00 -1.01 0.00 0.00 64.21 62.13 1htf n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1htf s LEU 38 N 12.52 2.58 0.14 -3.43 1.43 -1.26 -4.92 118.68 125.74 1htf s LEU 38 Ca 1.00 -0.34 -0.30 0.00 -1.03 0.00 0.00 54.13 53.46 1htf s LEU 38 Cb -0.26 -1.55 -0.07 0.00 0.03 0.00 0.00 46.19 44.34 1htf s LEU 38 CO 0.21 0.22 1.19 -2.16 0.23 0.00 0.00 176.35 176.04 1htf s PRO 39 N -0.00 4.48 0.00 1.29 0.04 -1.26 -4.96 135.00 134.59 1htf s PRO 39 Ca -0.05 1.82 0.00 0.00 0.04 0.00 0.00 61.00 62.81 1htf s PRO 39 Cb -0.14 -3.28 0.00 0.00 0.04 0.00 0.00 34.50 31.11 1htf s PRO 39 CO 0.04 -0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.36 1htf n GLY 40 N 2.55 0.72 3.41 0.56 0.00 -1.26 -5.07 105.19 106.10 1htf n GLY 40 Ca 0.06 -1.61 -0.20 0.00 0.00 0.00 0.00 46.02 44.27 1htf n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1htf s ARG 41 N -2.00 1.53 0.14 1.61 3.52 -1.26 -5.16 118.95 117.33 1htf s ARG 41 Ca 0.00 -1.81 -0.19 0.00 -0.13 0.00 0.00 55.73 53.60 1htf s ARG 41 Cb 0.00 -0.89 0.05 0.00 -1.56 0.00 0.00 34.95 32.55 1htf s ARG 41 CO 0.00 -0.09 0.48 1.67 -0.81 0.00 0.00 175.30 176.55 1htf s TRP 42 N -3.24 -0.34 -0.04 5.12 1.48 -1.26 -4.68 118.94 115.97 1htf s TRP 42 Ca 0.32 0.08 0.02 0.00 -1.06 0.00 0.00 56.10 55.46 1htf s TRP 42 Cb 0.06 0.38 -0.03 0.00 -1.16 0.00 0.00 33.47 32.73 1htf s TRP 42 CO 0.13 -0.76 -0.08 0.15 -4.06 0.00 0.00 176.95 172.32 1htf s LYS 43 N -3.76 2.64 0.01 3.25 1.02 -0.53 -4.82 119.74 117.55 1htf s LYS 43 Ca 0.02 -0.63 -0.37 0.00 0.02 0.00 0.00 55.97 55.01 1htf s LYS 43 Cb 0.01 -2.53 -0.16 0.00 -0.52 0.00 0.00 37.83 34.63 1htf s LYS 43 CO -0.12 0.64 1.48 -2.30 -0.92 0.00 0.00 175.35 174.13 1htf n PRO 44 N 2.04 1.32 -4.04 -1.68 -0.02 -1.26 -0.31 135.00 131.05 1htf n PRO 44 Ca -0.17 0.48 -0.08 0.00 -2.02 0.00 0.00 63.50 61.71 1htf n PRO 44 Cb 0.53 -2.16 -0.09 0.00 -0.02 0.00 0.00 33.50 31.76 1htf n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1htf s LYS 45 N 1.36 0.79 -0.01 -0.52 2.20 -1.04 -4.91 119.74 117.61 1htf s LYS 45 Ca 0.87 -1.21 0.03 0.00 -0.36 0.00 0.00 55.97 55.30 1htf s LYS 45 Cb -0.93 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 35.64 1htf s LYS 45 CO 0.50 -0.21 -0.09 -1.64 -0.36 0.00 0.00 175.35 173.55 1htf s MET 46 N -3.94 0.70 0.18 4.03 -1.94 -1.26 -1.82 119.30 115.24 1htf s MET 46 Ca 0.11 -0.31 0.06 0.00 -1.71 0.00 0.00 55.69 53.84 1htf s MET 46 Cb 0.07 -0.68 -0.05 0.00 2.01 0.00 0.00 34.83 36.18 1htf s MET 46 CO -0.07 0.19 -0.11 0.96 -0.01 0.00 0.00 175.02 175.98 1htf s ILE 47 N -0.20 1.37 0.00 2.53 -4.36 0.02 -4.95 121.20 115.61 1htf s ILE 47 Ca 0.03 -2.11 0.00 0.00 -0.26 0.00 0.00 60.65 58.31 1htf s ILE 47 Cb -0.03 -1.97 0.00 0.00 1.25 0.00 0.00 42.46 41.71 1htf s ILE 47 CO -0.00 -0.66 0.00 0.61 0.24 0.00 0.00 174.94 175.13 1htf n GLY 48 N -0.29 3.58 0.00 6.27 0.00 -1.26 0.14 105.19 113.63 1htf n GLY 48 Ca -0.09 -1.27 0.00 0.00 0.00 0.00 0.00 46.02 44.66 1htf n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htf n GLY 49 N 0.00 -0.36 0.09 -0.02 0.00 -0.18 -4.99 105.19 99.73 1htf n GLY 49 Ca 0.00 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 1htf n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1htf h ILE 50 N 0.00 0.89 0.00 -0.61 2.04 -2.03 -1.29 117.51 116.51 1htf h ILE 50 Ca 0.00 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.86 1htf h ILE 50 Cb 0.00 0.89 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1htf h ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 178.15 178.76 1htf n GLY 51 N -1.15 -0.72 0.00 5.37 0.00 -1.26 -4.97 105.19 102.46 1htf n GLY 51 Ca -0.07 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.86 1htf n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1htf n GLY 52 N 0.34 0.15 3.56 -0.02 0.00 -0.49 -5.08 105.19 103.65 1htf n GLY 52 Ca 0.10 -1.91 -0.31 0.00 0.00 0.00 0.00 46.02 43.90 1htf n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1htf s PHE 53 N 0.00 2.76 0.21 1.61 0.40 -1.26 -1.01 117.98 120.69 1htf s PHE 53 Ca 0.00 -0.13 0.05 0.00 -0.60 0.00 0.00 56.93 56.25 1htf s PHE 53 Cb 0.00 -1.51 -0.05 0.00 0.51 0.00 0.00 43.02 41.97 1htf s PHE 53 CO 0.00 0.37 -0.07 0.96 0.70 0.00 0.00 175.22 177.18 1htf s ILE 54 N -1.07 1.32 -0.26 0.64 -4.36 0.37 -4.95 121.20 112.88 1htf s ILE 54 Ca 0.18 -2.09 -0.15 0.00 -0.26 0.00 0.00 60.65 58.34 1htf s ILE 54 Cb -0.11 -2.17 -0.04 0.00 1.25 0.00 0.00 42.46 41.39 1htf s ILE 54 CO 0.10 -0.49 0.36 -0.54 0.24 0.00 0.00 174.94 174.61 1htf s LYS 55 N -3.76 4.03 0.16 0.37 -0.14 -1.26 -0.80 119.74 118.34 1htf s LYS 55 Ca 0.24 0.03 0.09 0.00 -1.36 0.00 0.00 55.97 54.97 1htf s LYS 55 Cb 0.03 -3.64 -0.04 0.00 -1.68 0.00 0.00 37.83 32.50 1htf s LYS 55 CO 0.07 -0.23 -0.20 0.14 -0.76 0.00 0.00 175.35 174.37 1htf s VAL 56 N 1.94 1.90 -0.01 3.17 -7.23 -0.76 -4.41 120.40 115.00 1htf s VAL 56 Ca 0.15 -1.88 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 1htf s VAL 56 Cb -0.16 -1.85 -0.06 0.00 0.56 0.00 0.00 36.38 34.88 1htf s VAL 56 CO 0.10 -0.24 0.39 0.00 -0.31 0.00 0.00 175.10 175.04 1htf s ARG 57 N -2.63 3.89 -0.26 4.82 1.70 0.09 -2.51 118.95 124.06 1htf s ARG 57 Ca 0.15 0.38 -0.06 0.00 -0.47 0.00 0.00 55.73 55.73 1htf s ARG 57 Cb -0.07 -3.22 -0.01 0.00 -0.57 0.00 0.00 34.95 31.08 1htf s ARG 57 CO 0.07 0.69 0.04 -1.14 -1.08 0.00 0.00 175.30 173.88 1htf s GLN 58 N -1.06 3.36 -0.20 3.89 0.74 0.58 -0.99 119.66 126.00 1htf s GLN 58 Ca 0.23 -0.66 -0.03 0.00 0.05 0.00 0.00 55.36 54.95 1htf s GLN 58 Cb -0.16 -3.25 -0.01 0.00 1.10 0.00 0.00 33.01 30.68 1htf s GLN 58 CO 0.13 -0.29 -0.05 0.71 -0.55 0.00 0.00 175.29 175.24 1htf s TYR 59 N 1.53 2.95 0.30 1.67 1.51 -1.00 -1.45 117.35 122.86 1htf s TYR 59 Ca 0.05 -0.76 0.01 0.00 -1.01 0.00 0.00 57.07 55.35 1htf s TYR 59 Cb -0.16 -2.05 -0.04 0.00 -0.11 0.00 0.00 41.96 39.61 1htf s TYR 59 CO 0.01 -0.41 0.48 -0.51 -1.11 0.00 0.00 175.55 174.02 1htf s ASP 60 N 1.14 6.33 -1.61 2.29 1.11 -1.26 -1.57 116.67 123.10 1htf s ASP 60 Ca 0.02 0.38 -0.12 0.00 0.18 0.00 0.00 52.55 53.01 1htf s ASP 60 Cb -0.15 -2.00 0.10 0.00 1.07 0.00 0.00 42.92 41.95 1htf s ASP 60 CO -0.01 -0.20 0.65 0.00 1.18 0.00 0.00 175.17 176.80 1htf n GLN 61 N -1.45 -3.19 -2.65 8.23 6.02 -1.14 -4.91 117.38 118.28 1htf n GLN 61 Ca -0.05 0.38 -0.42 0.00 -0.01 0.00 0.00 57.00 56.89 1htf n GLN 61 Cb 0.56 -4.88 -0.03 0.00 1.02 0.00 0.00 30.24 26.91 1htf n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1htf s ILE 62 N -3.53 4.65 -0.01 5.09 -1.09 -0.62 -4.78 121.20 120.91 1htf s ILE 62 Ca 0.49 1.94 -0.29 0.00 -2.23 0.00 0.00 60.65 60.57 1htf s ILE 62 Cb -0.27 -4.24 -0.03 0.00 -1.58 0.00 0.00 42.46 36.34 1htf s ILE 62 CO 0.92 0.17 0.92 -0.22 -1.23 0.00 0.00 174.94 175.50 1htf s LEU 63 N 0.86 4.37 0.04 2.97 0.20 -1.26 -1.61 118.68 124.24 1htf s LEU 63 Ca 0.53 1.57 0.03 0.00 0.69 0.00 0.00 54.13 56.94 1htf s LEU 63 Cb -0.23 -3.47 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 1htf s LEU 63 CO 0.29 -0.22 -0.09 -0.51 -0.29 0.00 0.00 176.35 175.53 1htf s ILE 64 N 0.90 0.63 -0.20 6.68 2.07 0.55 -4.58 121.20 127.24 1htf s ILE 64 Ca 0.49 -0.92 -0.01 0.00 -1.41 0.00 0.00 60.65 58.79 1htf s ILE 64 Cb -0.20 -0.64 0.01 0.00 0.13 0.00 0.00 42.46 41.75 1htf s ILE 64 CO 0.26 -0.23 -0.12 -0.70 -1.91 0.00 0.00 174.94 172.24 1htf s GLU 65 N -1.26 3.17 -0.29 3.50 2.12 -0.72 -0.91 118.70 124.31 1htf s GLU 65 Ca -0.06 -0.74 -0.02 0.00 0.36 0.00 0.00 54.97 54.52 1htf s GLU 65 Cb -0.08 -2.79 0.04 0.00 0.26 0.00 0.00 34.13 31.56 1htf s GLU 65 CO 0.01 -0.21 -0.01 0.42 -0.54 0.00 0.00 175.26 174.92 1htf s ILE 66 N 1.38 2.97 -1.38 -3.70 1.01 0.21 -0.86 121.20 120.83 1htf s ILE 66 Ca 0.05 -1.30 -0.13 0.00 0.00 0.00 0.00 60.65 59.27 1htf s ILE 66 Cb -0.14 -2.67 0.01 0.00 0.01 0.00 0.00 42.46 39.68 1htf s ILE 66 CO -0.08 -0.04 0.37 0.00 0.00 0.00 0.00 174.94 175.19 1htf n GLY 68 N -2.23 3.05 3.69 0.00 0.00 -1.26 -4.98 105.19 103.46 1htf n GLY 68 Ca -0.23 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.41 1htf n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1htf s HIS 69 N -1.55 3.41 0.17 1.61 4.02 -0.26 -5.05 115.29 117.65 1htf s HIS 69 Ca 0.00 0.65 -0.24 0.00 1.02 0.00 0.00 55.06 56.49 1htf s HIS 69 Cb 0.00 -2.48 -0.08 0.00 -1.02 0.00 0.00 32.58 29.00 1htf s HIS 69 CO 0.00 0.08 0.76 0.15 1.02 0.00 0.00 174.74 176.74 1htf s LYS 70 N 1.00 4.49 0.02 1.40 1.02 -1.26 0.64 119.74 127.05 1htf s LYS 70 Ca 0.19 1.09 -0.04 0.00 0.02 0.00 0.00 55.97 57.23 1htf s LYS 70 Cb -0.14 -3.18 -0.01 0.00 -0.52 0.00 0.00 37.83 33.98 1htf s LYS 70 CO 0.07 0.54 0.06 0.00 -0.92 0.00 0.00 175.35 175.10 1htf s ALA 71 N -1.23 -0.08 -0.07 5.17 0.00 -0.09 -4.90 121.76 120.56 1htf s ALA 71 Ca 0.37 -0.42 0.05 0.00 0.00 0.00 0.00 51.96 51.96 1htf s ALA 71 Cb -0.22 0.16 -0.01 0.00 0.00 0.00 0.00 23.12 23.06 1htf s ALA 71 CO 0.25 -0.22 -0.24 0.42 0.00 0.00 0.00 175.76 175.96 1htf s ILE 72 N -1.74 2.08 0.00 0.00 1.01 -1.26 -0.33 121.20 120.95 1htf s ILE 72 Ca -0.13 -1.04 0.00 0.00 0.00 0.00 0.00 60.65 59.48 1htf s ILE 72 Cb -0.07 -1.76 0.00 0.00 0.01 0.00 0.00 42.46 40.64 1htf s ILE 72 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.11 1htf n GLY 73 N 3.14 0.86 3.72 6.18 0.00 -0.63 -4.93 105.19 113.52 1htf n GLY 73 Ca -0.18 -0.84 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 1htf n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1htf s THR 74 N -2.27 4.79 -0.06 2.61 2.01 -1.26 -1.59 115.64 119.87 1htf s THR 74 Ca 0.00 1.98 0.05 0.00 0.31 0.00 0.00 61.69 64.02 1htf s THR 74 Cb 0.00 -4.28 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 1htf s THR 74 CO 0.00 0.22 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.26 1htf s VAL 75 N 0.67 1.68 -0.11 3.82 1.01 -0.61 -4.53 120.40 122.33 1htf s VAL 75 Ca 0.48 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 61.55 1htf s VAL 75 Cb -0.21 -1.44 -0.04 0.00 0.00 0.00 0.00 36.38 34.69 1htf s VAL 75 CO 0.27 0.47 0.16 -0.76 0.00 0.00 0.00 175.10 175.24 1htf s LEU 76 N 0.10 4.39 0.04 3.92 1.43 -0.51 -2.38 118.68 125.67 1htf s LEU 76 Ca -0.07 0.50 0.09 0.00 -1.03 0.00 0.00 54.13 53.62 1htf s LEU 76 Cb -0.14 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 1htf s LEU 76 CO 0.04 0.40 -0.26 0.68 0.23 0.00 0.00 176.35 177.44 1htf s VAL 77 N -1.02 2.08 -1.12 -1.59 -7.23 -0.16 -0.44 120.40 110.92 1htf s VAL 77 Ca 0.16 -1.33 0.00 0.00 -1.81 0.00 0.00 61.98 59.00 1htf s VAL 77 Cb -0.12 -1.77 0.00 0.00 0.56 0.00 0.00 36.38 35.04 1htf s VAL 77 CO 0.05 0.38 0.00 0.61 -0.31 0.00 0.00 175.10 175.83 1htf n GLY 78 N 1.89 -1.44 2.49 2.32 0.00 0.07 -0.73 105.19 109.79 1htf n GLY 78 Ca -0.17 -1.03 -0.38 0.00 0.00 0.00 0.00 46.02 44.44 1htf n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1htf n PRO 79 N -0.16 3.19 -3.50 1.61 -0.04 -1.26 -3.32 135.00 131.51 1htf n PRO 79 Ca 0.00 -2.20 -0.35 0.00 -0.04 0.00 0.00 63.50 60.91 1htf n PRO 79 Cb 0.00 -2.89 -0.06 0.00 -0.04 0.00 0.00 33.50 30.51 1htf n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1htf s THR 80 N 2.72 5.01 0.53 0.52 -1.32 -1.26 -5.02 115.64 116.82 1htf s THR 80 Ca 0.60 0.57 0.18 0.00 -1.21 0.00 0.00 61.69 61.83 1htf s THR 80 Cb 0.16 -3.67 0.29 0.00 -1.51 0.00 0.00 72.50 67.76 1htf s THR 80 CO -0.06 0.26 2.15 -0.65 -2.21 0.00 0.00 174.62 174.11 1htf h PRO 81 N 3.61 0.00 -2.48 7.08 0.11 -1.98 -3.43 132.00 134.91 1htf h PRO 81 Ca -0.49 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.56 1htf h PRO 81 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 1htf h PRO 81 CO 0.66 0.00 0.09 0.54 -0.21 0.00 0.00 178.00 179.08 1htf s VAL 82 N -5.03 0.02 0.03 3.15 0.11 -1.26 -5.05 120.40 112.37 1htf s VAL 82 Ca -0.05 -0.14 -0.30 0.00 -2.93 0.00 0.00 61.98 58.56 1htf s VAL 82 Cb 0.17 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 34.01 1htf s VAL 82 CO 0.66 -0.08 1.38 0.20 -3.33 0.00 0.00 175.10 173.94 1htf s ASN 83 N -1.64 6.86 -0.14 3.54 0.01 -1.26 -4.62 114.94 117.69 1htf s ASN 83 Ca -0.08 2.16 0.00 0.00 -0.71 0.00 0.00 52.86 54.23 1htf s ASN 83 Cb -0.01 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.08 1htf s ASN 83 CO 0.03 -0.69 -0.15 -0.63 -1.51 0.00 0.00 177.10 174.16 1htf s ILE 84 N 1.99 2.80 -0.35 0.60 1.01 0.07 0.05 121.20 127.38 1htf s ILE 84 Ca 0.64 -0.73 -0.13 0.00 0.00 0.00 0.00 60.65 60.42 1htf s ILE 84 Cb -0.33 -2.18 -0.01 0.00 0.01 0.00 0.00 42.46 39.96 1htf s ILE 84 CO 0.28 0.52 0.24 -0.63 0.00 0.00 0.00 174.94 175.35 1htf s ILE 85 N 0.63 5.22 0.29 2.92 -1.09 -0.56 -0.97 121.20 127.64 1htf s ILE 85 Ca -0.08 -0.31 0.02 0.00 -2.23 0.00 0.00 60.65 58.06 1htf s ILE 85 Cb -0.16 -3.72 0.05 0.00 -1.58 0.00 0.00 42.46 37.06 1htf s ILE 85 CO 0.03 -0.05 0.39 0.61 -1.23 0.00 0.00 174.94 174.69 1htf n GLY 86 N 5.10 1.38 0.25 6.18 0.00 -1.18 -1.21 105.19 115.71 1htf n GLY 86 Ca -0.12 -2.09 0.04 0.00 0.00 0.00 0.00 46.02 43.84 1htf n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1htf h ARG 87 N 0.00 0.22 -0.69 1.61 3.08 -0.54 -1.97 114.38 116.09 1htf h ARG 87 Ca -0.13 -0.04 0.20 0.00 0.07 0.00 0.00 59.98 60.08 1htf h ARG 87 Cb 0.55 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.53 1htf h ARG 87 CO 0.16 0.30 0.50 -2.95 -1.07 0.00 0.00 179.97 176.91 1htf h ASN 88 N 0.21 0.00 0.12 7.04 -1.07 -1.72 -2.43 115.58 117.74 1htf h ASN 88 Ca 0.05 0.00 -0.25 0.00 0.07 0.00 0.00 56.30 56.17 1htf h ASN 88 Cb 0.25 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.46 1htf h ASN 88 CO 0.01 0.00 -2.12 0.18 0.07 0.00 0.00 177.43 175.57 1htf n LEU 89 N -4.32 0.17 -0.27 6.14 4.32 -0.80 -4.35 117.00 117.89 1htf n LEU 89 Ca 0.14 0.08 0.04 0.00 -0.02 0.00 0.00 56.01 56.24 1htf n LEU 89 Cb 0.76 0.30 0.26 0.00 -1.62 0.00 0.00 43.42 43.12 1htf n LEU 89 CO 0.38 0.32 1.24 -0.07 -1.22 0.00 0.00 177.39 178.04 1htf h LEU 90 N 0.00 0.86 -0.54 2.23 3.38 -0.98 -1.78 115.31 118.48 1htf h LEU 90 Ca -0.35 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.62 1htf h LEU 90 Cb 1.84 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.38 1htf h LEU 90 CO 0.03 0.57 0.34 0.71 0.09 0.00 0.00 178.44 180.18 1htf h THR 91 N 0.99 1.15 -0.71 0.22 1.35 -1.67 -0.56 112.91 113.67 1htf h THR 91 Ca 0.35 -0.31 0.15 0.00 -0.55 0.00 0.00 66.41 66.05 1htf h THR 91 Cb 0.13 0.38 -0.10 0.00 -1.73 0.00 0.00 68.15 66.83 1htf h THR 91 CO -0.12 0.15 0.19 1.56 -0.25 0.00 0.00 175.52 177.05 1htf h GLN 92 N 0.73 0.29 -0.39 4.72 7.50 -1.54 -0.83 115.11 125.60 1htf h GLN 92 Ca 0.20 -0.02 0.00 0.00 0.50 0.00 0.00 58.65 59.33 1htf h GLN 92 Cb -0.05 -0.07 0.00 0.00 0.05 0.00 0.00 27.48 27.41 1htf h GLN 92 CO -0.04 0.19 0.00 0.44 -1.50 0.00 0.00 178.83 177.92 1htf n ILE 93 N -5.12 0.48 -2.05 2.54 -5.35 -0.87 -4.91 119.36 104.08 1htf n ILE 93 Ca 0.13 -0.38 -0.04 0.00 -0.27 0.00 0.00 62.75 62.19 1htf n ILE 93 Cb 0.42 0.05 -0.00 0.00 -1.74 0.00 0.00 39.64 38.37 1htf n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1htf n GLY 94 N 0.77 0.21 3.68 3.28 0.00 -0.32 -4.97 105.19 107.84 1htf n GLY 94 Ca 0.09 -0.72 -0.41 0.00 0.00 0.00 0.00 46.02 44.98 1htf n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1htf s THR 96 N 1.89 3.12 0.17 0.00 -4.23 -1.26 -4.73 115.64 110.60 1htf s THR 96 Ca 0.39 -1.61 -0.14 0.00 -1.18 0.00 0.00 61.69 59.15 1htf s THR 96 Cb -0.17 -2.52 -0.07 0.00 1.34 0.00 0.00 72.50 71.08 1htf s THR 96 CO 0.14 -0.05 0.58 -0.76 -0.54 0.00 0.00 174.62 173.99 1htf s LEU 97 N -2.65 4.31 -0.06 4.79 1.43 -1.26 -5.09 118.68 120.16 1htf s LEU 97 Ca 0.23 1.11 -0.02 0.00 -1.03 0.00 0.00 54.13 54.42 1htf s LEU 97 Cb -0.09 -3.39 0.04 0.00 0.03 0.00 0.00 46.19 42.78 1htf s LEU 97 CO 0.14 0.06 0.12 0.20 0.23 0.00 0.00 176.35 177.10 1htf s ASN 98 N -1.80 -0.01 0.00 2.29 0.01 -1.26 -5.29 114.94 108.87 1htf s ASN 98 Ca 0.40 0.24 0.00 0.00 -0.71 0.00 0.00 52.86 52.79 1htf s ASN 98 Cb -0.15 0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.64 1htf s ASN 98 CO 0.19 -0.15 0.00 2.22 -1.51 0.00 0.00 177.10 177.85