#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 3.32 -0.14 0.54 0.74 -1.26 -5.10 119.66 117.76 1htf s GLN 2 Ca 0.00 -0.34 -0.00 0.00 0.05 0.00 0.00 55.36 55.07 1htf s GLN 2 Cb 0.00 -2.97 0.03 0.00 1.10 0.00 0.00 33.01 31.17 1htf s GLN 2 CO 0.00 0.61 -0.07 0.42 -0.55 0.00 0.00 175.29 175.70 1htf s ILE 3 N -0.60 1.11 0.61 -2.34 1.01 -1.26 -5.13 121.20 114.60 1htf s ILE 3 Ca 0.11 -0.48 -0.04 0.00 0.00 0.00 0.00 60.65 60.23 1htf s ILE 3 Cb -0.12 -1.20 0.03 0.00 0.01 0.00 0.00 42.46 41.19 1htf s ILE 3 CO 0.02 0.25 0.89 0.42 0.00 0.00 0.00 174.94 176.53 1htf s THR 4 N 1.66 3.02 -0.16 2.92 -4.23 -1.26 -5.01 115.64 112.58 1htf s THR 4 Ca 0.03 -0.27 0.18 0.00 -1.18 0.00 0.00 61.69 60.45 1htf s THR 4 Cb -0.14 -3.21 0.39 0.00 1.34 0.00 0.00 72.50 70.88 1htf s THR 4 CO -0.08 -0.20 1.27 0.18 -0.54 0.00 0.00 174.62 175.25 1htf n LEU 5 N -2.61 3.03 0.04 4.79 4.77 -1.26 -4.42 117.00 121.34 1htf n LEU 5 Ca 0.06 -3.04 0.03 0.00 -0.03 0.00 0.00 56.01 53.03 1htf n LEU 5 Cb 0.59 -0.47 0.41 0.00 -2.33 0.00 0.00 43.42 41.61 1htf n LEU 5 CO 0.51 0.69 1.06 -0.50 -1.33 0.00 0.00 177.39 177.82 1htf h TRP 6 N 0.81 0.44 -1.71 -1.77 4.06 -2.07 -3.42 115.95 112.29 1htf h TRP 6 Ca 0.00 -0.01 -0.46 0.00 2.06 0.00 0.00 58.89 60.48 1htf h TRP 6 Cb 1.19 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 29.20 1htf h TRP 6 CO 0.22 0.36 -0.37 -0.65 -3.56 0.00 0.00 178.44 174.44 1htf s GLN 7 N -5.21 2.84 0.23 0.49 -1.52 -1.26 -5.10 119.66 110.13 1htf s GLN 7 Ca -0.07 -1.23 -0.31 0.00 -1.95 0.00 0.00 55.36 51.80 1htf s GLN 7 Cb 0.17 -2.62 -0.10 0.00 -0.22 0.00 0.00 33.01 30.23 1htf s GLN 7 CO 0.73 -0.02 1.53 1.03 -0.25 0.00 0.00 175.29 178.31 1htf s ARG 8 N -4.14 4.21 -1.29 2.91 0.52 -1.26 -4.91 118.95 114.99 1htf s ARG 8 Ca 0.46 2.40 -0.17 0.00 -0.52 0.00 0.00 55.73 57.90 1htf s ARG 8 Cb -0.07 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.30 1htf s ARG 8 CO 0.29 -0.54 2.07 -0.35 0.02 0.00 0.00 175.30 176.79 1htf n PRO 9 N 2.84 2.61 -3.08 3.54 -0.04 -1.26 -4.94 135.00 134.67 1htf n PRO 9 Ca 0.10 -2.59 -0.39 0.00 -0.04 0.00 0.00 63.50 60.58 1htf n PRO 9 Cb 0.39 -3.29 -0.05 0.00 -0.04 0.00 0.00 33.50 30.51 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 2.88 4.45 0.11 1.53 1.02 -1.26 -0.52 118.68 126.89 1htf s LEU 10 Ca 0.51 1.34 0.04 0.00 0.02 0.00 0.00 54.13 56.04 1htf s LEU 10 Cb 0.11 -3.10 -0.04 0.00 0.02 0.00 0.00 46.19 43.18 1htf s LEU 10 CO -0.01 0.07 -0.09 0.54 0.02 0.00 0.00 176.35 176.88 1htf s VAL 11 N -0.20 0.96 -0.01 -1.59 0.11 0.11 -4.88 120.40 114.90 1htf s VAL 11 Ca 0.35 -1.84 -0.30 0.00 -2.93 0.00 0.00 61.98 57.26 1htf s VAL 11 Cb -0.20 -1.58 -0.04 0.00 -1.53 0.00 0.00 36.38 33.03 1htf s VAL 11 CO 0.21 -0.68 1.09 -0.89 -3.33 0.00 0.00 175.10 171.49 1htf s THR 12 N -2.97 4.49 0.11 5.04 2.01 -1.26 0.26 115.64 123.31 1htf s THR 12 Ca 0.10 1.79 0.08 0.00 0.31 0.00 0.00 61.69 63.97 1htf s THR 12 Cb 0.01 -4.15 -0.04 0.00 0.01 0.00 0.00 72.50 68.33 1htf s THR 12 CO -0.01 0.10 -0.14 0.27 -0.69 0.00 0.00 174.62 174.15 1htf s ILE 13 N 1.38 3.10 -0.20 1.82 -4.36 0.12 -0.38 121.20 122.68 1htf s ILE 13 Ca 0.54 -1.38 -0.03 0.00 -0.26 0.00 0.00 60.65 59.52 1htf s ILE 13 Cb -0.24 -2.43 -0.01 0.00 1.25 0.00 0.00 42.46 41.03 1htf s ILE 13 CO 0.26 0.11 -0.07 -0.75 0.24 0.00 0.00 174.94 174.73 1htf s LYS 14 N -2.16 3.37 -0.10 0.37 2.20 -0.21 -0.57 119.74 122.64 1htf s LYS 14 Ca 0.20 -0.64 -0.04 0.00 -0.36 0.00 0.00 55.97 55.12 1htf s LYS 14 Cb -0.11 -2.91 0.05 0.00 -1.51 0.00 0.00 37.83 33.36 1htf s LYS 14 CO 0.12 -0.11 0.21 -1.50 -0.36 0.00 0.00 175.35 173.71 1htf s ILE 15 N 1.21 -0.30 -0.36 5.43 2.07 0.25 -0.85 121.20 128.66 1htf s ILE 15 Ca 0.02 0.30 -0.01 0.00 -1.41 0.00 0.00 60.65 59.55 1htf s ILE 15 Cb -0.14 -0.36 0.00 0.00 0.13 0.00 0.00 42.46 42.09 1htf s ILE 15 CO -0.02 0.13 0.17 0.61 -1.91 0.00 0.00 174.94 173.91 1htf n GLY 16 N 5.19 0.43 3.05 1.50 0.00 -1.26 -1.96 105.19 112.13 1htf n GLY 16 Ca -0.08 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.39 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 -0.92 2.87 3.58 -0.02 0.00 -1.26 -5.01 105.19 104.44 1htf n GLY 17 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.06 2.57 -0.12 1.61 -0.21 -0.83 -5.11 119.66 117.52 1htf s GLN 18 Ca 0.00 -0.70 -0.22 0.00 0.02 0.00 0.00 55.36 54.47 1htf s GLN 18 Cb 0.00 -2.50 -0.03 0.00 1.00 0.00 0.00 33.01 31.47 1htf s GLN 18 CO 0.00 0.61 0.64 -0.51 -2.12 0.00 0.00 175.29 173.91 1htf s LEU 19 N -1.28 4.26 0.08 2.90 1.43 -1.26 -0.58 118.68 124.22 1htf s LEU 19 Ca 0.16 1.01 0.01 0.00 -1.03 0.00 0.00 54.13 54.28 1htf s LEU 19 Cb -0.11 -2.95 -0.04 0.00 0.03 0.00 0.00 46.19 43.12 1htf s LEU 19 CO 0.06 -0.14 -0.06 -0.54 0.23 0.00 0.00 176.35 175.91 1htf s LYS 20 N 1.10 0.76 -0.11 1.70 1.02 0.27 -5.00 119.74 119.48 1htf s LYS 20 Ca 0.33 -1.30 -0.05 0.00 0.02 0.00 0.00 55.97 54.97 1htf s LYS 20 Cb -0.17 -0.08 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 1htf s LYS 20 CO 0.14 -0.04 0.08 -2.00 -0.92 0.00 0.00 175.35 172.61 1htf s GLU 21 N -3.84 3.32 0.03 1.68 2.56 -1.26 0.15 118.70 121.33 1htf s GLU 21 Ca 0.10 -0.25 -0.04 0.00 0.00 0.00 0.00 54.97 54.78 1htf s GLU 21 Cb 0.06 -3.05 -0.01 0.00 2.00 0.00 0.00 34.13 33.13 1htf s GLU 21 CO -0.06 0.71 0.06 0.00 -0.56 0.00 0.00 175.26 175.41 1htf s ALA 22 N -0.86 0.00 -0.17 6.30 0.00 0.14 -4.55 121.76 122.63 1htf s ALA 22 Ca 0.13 -0.59 -0.22 0.00 0.00 0.00 0.00 51.96 51.28 1htf s ALA 22 Cb -0.12 0.22 -0.03 0.00 0.00 0.00 0.00 23.12 23.20 1htf s ALA 22 CO 0.03 -0.29 0.68 -1.17 0.00 0.00 0.00 175.76 175.01 1htf s LEU 23 N -2.03 4.18 -0.30 0.00 2.96 0.20 0.05 118.68 123.75 1htf s LEU 23 Ca -0.06 0.97 -0.29 0.00 -0.22 0.00 0.00 54.13 54.52 1htf s LEU 23 Cb -0.02 -2.99 0.00 0.00 0.50 0.00 0.00 46.19 43.68 1htf s LEU 23 CO -0.04 -0.26 1.30 -0.76 -1.32 0.00 0.00 176.35 175.27 1htf s LEU 24 N 1.73 3.88 -0.31 -0.68 1.43 0.33 -0.20 118.68 124.86 1htf s LEU 24 Ca 0.32 1.21 0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1htf s LEU 24 Cb -0.16 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.61 1htf s LEU 24 CO 0.12 -1.08 0.07 -0.62 0.23 0.00 0.00 176.35 175.07 1htf s ASP 25 N 2.79 4.19 0.36 2.29 -1.08 -0.07 -4.83 116.67 120.31 1htf s ASP 25 Ca 0.56 -1.71 0.27 0.00 -0.52 0.00 0.00 52.55 51.15 1htf s ASP 25 Cb -0.17 -1.11 1.15 0.00 -1.46 0.00 0.00 42.92 41.34 1htf s ASP 25 CO 0.23 -0.38 1.80 0.71 0.52 0.00 0.00 175.17 178.05 1htf h THR 26 N 6.54 0.00 -0.00 1.71 1.35 -1.94 -2.60 112.91 117.97 1htf h THR 26 Ca -0.11 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 1htf h THR 26 Cb 1.03 1.07 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 1htf h THR 26 CO 0.47 0.00 -0.08 0.61 -0.25 0.00 0.00 175.52 176.27 1htf n GLY 27 N -0.14 -1.05 3.43 5.82 0.00 -1.26 -4.80 105.19 107.20 1htf n GLY 27 Ca 0.01 -0.23 -0.35 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.50 3.00 0.28 4.61 0.00 -0.98 -5.00 121.76 121.17 1htf s ALA 28 Ca 0.29 -1.01 0.10 0.00 0.00 0.00 0.00 51.96 51.33 1htf s ALA 28 Cb 0.20 -1.77 0.40 0.00 0.00 0.00 0.00 23.12 21.96 1htf s ALA 28 CO 0.47 -0.19 1.64 -0.44 0.00 0.00 0.00 175.76 177.24 1htf h ASP 29 N 7.58 0.03 -1.30 0.00 3.32 -1.87 0.20 116.42 124.38 1htf h ASP 29 Ca -0.36 -0.02 -0.62 0.00 0.02 0.00 0.00 57.03 56.05 1htf h ASP 29 Cb 1.18 -0.01 -0.11 0.00 0.22 0.00 0.00 39.33 40.61 1htf h ASP 29 CO 0.61 0.60 -0.53 -1.81 -1.72 0.00 0.00 179.24 176.39 1htf s ASP 30 N -6.87 4.15 -0.19 6.45 1.01 -1.26 -2.37 116.67 117.60 1htf s ASP 30 Ca -0.02 -1.33 -0.09 0.00 0.71 0.00 0.00 52.55 51.82 1htf s ASP 30 Cb 0.13 -0.18 -0.05 0.00 1.01 0.00 0.00 42.92 43.83 1htf s ASP 30 CO 0.76 -0.61 0.10 -0.89 0.21 0.00 0.00 175.17 174.74 1htf s THR 31 N -2.71 5.12 -0.09 -1.27 2.01 -1.26 -3.28 115.64 114.16 1htf s THR 31 Ca 0.31 0.09 -0.00 0.00 0.31 0.00 0.00 61.69 62.39 1htf s THR 31 Cb 0.06 -3.32 0.02 0.00 0.01 0.00 0.00 72.50 69.27 1htf s THR 31 CO 0.17 0.45 -0.04 0.54 -0.69 0.00 0.00 174.62 175.04 1htf s VAL 32 N 0.34 0.73 0.12 3.82 0.11 -0.35 -0.98 120.40 124.19 1htf s VAL 32 Ca 0.06 -0.12 0.05 0.00 -2.93 0.00 0.00 61.98 59.03 1htf s VAL 32 Cb -0.12 -0.79 -0.04 0.00 -1.53 0.00 0.00 36.38 33.90 1htf s VAL 32 CO -0.01 0.31 0.06 -0.76 -3.33 0.00 0.00 175.10 171.37 1htf s LEU 33 N 1.67 3.64 1.04 2.54 1.43 0.45 -0.05 118.68 129.40 1htf s LEU 33 Ca 0.02 -0.14 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 1htf s LEU 33 Cb -0.13 -2.32 0.18 0.00 0.03 0.00 0.00 46.19 43.96 1htf s LEU 33 CO -0.05 0.14 0.85 -0.62 0.23 0.00 0.00 176.35 176.89 1htf n GLU 34 N 0.21 -1.31 -1.61 1.70 1.02 -1.26 -0.89 120.64 118.50 1htf n GLU 34 Ca -0.09 -0.34 -0.59 0.00 -0.02 0.00 0.00 57.16 56.12 1htf n GLU 34 Cb 0.53 -2.14 -0.08 0.00 -0.02 0.00 0.00 31.44 29.73 1htf n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 1htf n GLU 35 N -3.86 0.74 -4.09 3.49 4.07 -1.21 -4.38 120.64 115.39 1htf n GLU 35 Ca 0.07 0.25 -0.10 0.00 -0.06 0.00 0.00 57.16 57.32 1htf n GLU 35 Cb 0.54 -1.95 -0.09 0.00 -0.06 0.00 0.00 31.44 29.89 1htf n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1htf s MET 36 N 4.21 1.06 -0.82 5.31 0.23 -1.26 -5.03 119.30 123.00 1htf s MET 36 Ca 1.05 -1.38 -0.25 0.00 -1.03 0.00 0.00 55.69 54.08 1htf s MET 36 Cb -1.19 0.30 0.02 0.00 -1.53 0.00 0.00 34.83 32.43 1htf s MET 36 CO 0.67 -0.34 1.50 -1.12 -2.03 0.00 0.00 175.02 173.69 1htf s SER 37 N -3.04 6.00 -0.12 -1.18 0.01 -1.26 -5.01 113.70 109.10 1htf s SER 37 Ca 0.24 -0.65 -0.01 0.00 1.31 0.00 0.00 55.95 56.84 1htf s SER 37 Cb 0.06 -2.56 -0.02 0.00 0.21 0.00 0.00 66.02 63.71 1htf s SER 37 CO 0.03 -1.93 -0.08 -0.76 0.41 0.00 0.00 173.24 170.91 1htf s LEU 38 N 6.54 3.01 0.54 2.44 1.43 -1.26 -5.00 118.68 126.38 1htf s LEU 38 Ca 0.47 -0.18 -0.18 0.00 -1.03 0.00 0.00 54.13 53.21 1htf s LEU 38 Cb -0.06 -1.69 -0.06 0.00 0.03 0.00 0.00 46.19 44.41 1htf s LEU 38 CO 0.07 0.22 1.05 -2.16 0.23 0.00 0.00 176.35 175.75 1htf s PRO 39 N 0.05 3.56 0.00 1.29 0.04 -1.26 -4.76 135.00 133.93 1htf s PRO 39 Ca -0.02 1.28 0.00 0.00 0.04 0.00 0.00 61.00 62.29 1htf s PRO 39 Cb -0.14 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.34 1htf s PRO 39 CO 0.03 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.87 1htf n GLY 40 N -0.64 1.63 0.09 0.56 0.00 -1.26 -5.05 105.19 100.52 1htf n GLY 40 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1htf n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1htf n ARG 41 N 0.00 -0.25 -3.74 1.61 5.12 -1.26 -4.90 116.66 113.24 1htf n ARG 41 Ca 0.00 0.19 -0.14 0.00 -1.93 0.00 0.00 57.85 55.97 1htf n ARG 41 Cb 0.00 -0.22 -0.09 0.00 -1.16 0.00 0.00 32.46 30.99 1htf n ARG 41 CO 0.00 0.00 0.00 1.67 -1.93 0.00 0.00 177.63 177.37 1htf s TRP 42 N -2.94 -0.25 -0.08 -1.55 1.48 -1.26 -4.48 118.94 109.85 1htf s TRP 42 Ca 0.00 0.42 -0.05 0.00 -1.06 0.00 0.00 56.10 55.41 1htf s TRP 42 Cb 0.00 0.13 -0.04 0.00 -1.16 0.00 0.00 33.47 32.40 1htf s TRP 42 CO 0.00 -0.39 0.13 0.15 -4.06 0.00 0.00 176.95 172.78 1htf s LYS 43 N -1.17 3.37 0.44 3.25 1.02 0.52 -4.88 119.74 122.29 1htf s LYS 43 Ca -0.12 -0.22 -0.24 0.00 0.02 0.00 0.00 55.97 55.41 1htf s LYS 43 Cb -0.04 -3.11 -0.08 0.00 -0.52 0.00 0.00 37.83 34.08 1htf s LYS 43 CO 0.04 0.74 1.17 -1.25 -0.92 0.00 0.00 175.35 175.13 1htf s PRO 44 N -1.27 3.86 0.09 -1.68 0.04 -1.26 0.94 135.00 135.72 1htf s PRO 44 Ca 0.18 1.80 -0.19 0.00 0.04 0.00 0.00 61.00 62.83 1htf s PRO 44 Cb -0.12 -2.50 0.04 0.00 0.04 0.00 0.00 34.50 31.96 1htf s PRO 44 CO 0.08 -0.47 0.45 0.21 0.04 0.00 0.00 177.00 177.31 1htf s LYS 45 N -2.56 1.05 -0.00 4.56 2.20 0.71 -4.82 119.74 120.87 1htf s LYS 45 Ca 0.61 -0.50 0.06 0.00 -0.36 0.00 0.00 55.97 55.79 1htf s LYS 45 Cb -0.29 0.47 -0.03 0.00 -1.51 0.00 0.00 37.83 36.47 1htf s LYS 45 CO 0.36 -0.40 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.12 1htf s MET 46 N -3.21 2.22 0.21 4.03 -1.94 -1.26 0.17 119.30 119.52 1htf s MET 46 Ca -0.01 -0.88 0.10 0.00 -1.71 0.00 0.00 55.69 53.19 1htf s MET 46 Cb 0.00 -2.22 -0.05 0.00 2.01 0.00 0.00 34.83 34.58 1htf s MET 46 CO -0.08 0.57 -0.20 0.96 -0.01 0.00 0.00 175.02 176.27 1htf s ILE 47 N -0.79 2.13 -0.10 2.53 -4.36 -0.03 -4.96 121.20 115.62 1htf s ILE 47 Ca 0.13 -2.13 0.03 0.00 -0.26 0.00 0.00 60.65 58.42 1htf s ILE 47 Cb -0.10 -2.08 -0.01 0.00 1.25 0.00 0.00 42.46 41.52 1htf s ILE 47 CO 0.02 -0.33 -0.21 -0.83 0.24 0.00 0.00 174.94 173.84 1htf s GLY 48 N -3.00 1.39 0.00 6.27 0.00 -1.26 0.53 107.32 111.25 1htf s GLY 48 Ca 0.22 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.98 1htf s GLY 48 CO 0.10 -0.37 0.00 0.61 0.00 0.00 0.00 173.10 173.44 1htf n GLY 49 N 3.36 3.81 0.11 0.20 0.00 0.86 -4.99 105.19 108.53 1htf n GLY 49 Ca -0.18 -1.43 -0.11 0.00 0.00 0.00 0.00 46.02 44.30 1htf n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1htf h ILE 50 N 0.00 1.06 -0.41 -0.61 6.09 -2.04 -3.33 117.51 118.27 1htf h ILE 50 Ca 0.00 -1.30 -0.23 0.00 -1.37 0.00 0.00 64.86 61.96 1htf h ILE 50 Cb 0.00 1.81 -0.13 0.00 0.47 0.00 0.00 36.82 38.97 1htf h ILE 50 CO 0.00 0.28 0.29 0.61 -3.07 0.00 0.00 178.15 176.27 1htf n GLY 51 N 0.71 3.23 0.00 8.18 0.00 -1.26 -4.95 105.19 111.10 1htf n GLY 51 Ca -0.08 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.02 0.68 2.88 -0.02 0.00 -1.25 -5.09 105.19 102.37 1htf n GLY 52 Ca 0.25 -1.29 -0.14 0.00 0.00 0.00 0.00 46.02 44.84 1htf n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1htf s PHE 53 N 0.00 -0.11 0.17 1.61 -0.71 -1.26 -0.10 117.98 117.58 1htf s PHE 53 Ca 0.00 0.38 0.08 0.00 -1.04 0.00 0.00 56.93 56.35 1htf s PHE 53 Cb 0.00 -0.13 -0.04 0.00 -1.21 0.00 0.00 43.02 41.63 1htf s PHE 53 CO 0.00 -0.15 -0.16 0.96 -1.34 0.00 0.00 175.22 174.53 1htf s ILE 54 N 1.17 1.70 -0.18 -4.49 -4.36 0.19 -4.96 121.20 110.26 1htf s ILE 54 Ca -0.09 -1.95 -0.17 0.00 -0.26 0.00 0.00 60.65 58.18 1htf s ILE 54 Cb -0.12 -1.83 -0.04 0.00 1.25 0.00 0.00 42.46 41.72 1htf s ILE 54 CO -0.05 -0.40 0.46 -0.54 0.24 0.00 0.00 174.94 174.64 1htf s LYS 55 N -2.98 4.22 0.20 0.37 3.01 -1.26 -0.85 119.74 122.44 1htf s LYS 55 Ca 0.16 0.34 0.08 0.00 -1.01 0.00 0.00 55.97 55.54 1htf s LYS 55 Cb -0.04 -3.52 -0.04 0.00 -1.01 0.00 0.00 37.83 33.21 1htf s LYS 55 CO 0.06 -0.04 -0.16 0.14 0.51 0.00 0.00 175.35 175.86 1htf s VAL 56 N 1.28 1.83 -0.16 3.17 -7.23 0.13 -4.58 120.40 114.85 1htf s VAL 56 Ca 0.22 -2.11 -0.18 0.00 -1.81 0.00 0.00 61.98 58.10 1htf s VAL 56 Cb -0.15 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.77 1htf s VAL 56 CO 0.09 -0.47 0.49 -0.13 -0.31 0.00 0.00 175.10 174.77 1htf s ARG 57 N -3.29 4.27 -0.30 4.82 0.52 -0.95 -0.21 118.95 123.80 1htf s ARG 57 Ca 0.20 0.42 -0.20 0.00 -0.52 0.00 0.00 55.73 55.62 1htf s ARG 57 Cb -0.03 -3.49 -0.01 0.00 0.52 0.00 0.00 34.95 31.94 1htf s ARG 57 CO 0.07 0.03 0.64 -1.14 0.02 0.00 0.00 175.30 174.92 1htf s GLN 58 N 1.07 3.92 -0.26 3.54 0.74 0.27 -1.06 119.66 127.88 1htf s GLN 58 Ca 0.25 0.34 -0.10 0.00 0.05 0.00 0.00 55.36 55.90 1htf s GLN 58 Cb -0.15 -3.72 -0.04 0.00 1.10 0.00 0.00 33.01 30.19 1htf s GLN 58 CO 0.10 -0.56 0.15 0.71 -0.55 0.00 0.00 175.29 175.13 1htf s TYR 59 N 2.62 3.21 0.59 1.67 1.51 -0.95 -0.36 117.35 125.65 1htf s TYR 59 Ca 0.26 0.02 -0.02 0.00 -1.01 0.00 0.00 57.07 56.31 1htf s TYR 59 Cb -0.15 -2.31 0.03 0.00 -0.11 0.00 0.00 41.96 39.43 1htf s TYR 59 CO 0.12 -0.14 0.85 -0.51 -1.11 0.00 0.00 175.55 174.75 1htf s ASP 60 N 1.52 5.24 -1.53 2.29 1.11 -1.26 -1.97 116.67 122.06 1htf s ASP 60 Ca 0.07 0.25 -0.16 0.00 0.18 0.00 0.00 52.55 52.89 1htf s ASP 60 Cb -0.15 -1.12 0.14 0.00 1.07 0.00 0.00 42.92 42.86 1htf s ASP 60 CO 0.08 -1.22 0.66 0.00 1.18 0.00 0.00 175.17 175.86 1htf n GLN 61 N -2.52 -3.00 -2.92 8.23 1.13 -1.16 -4.91 117.38 112.23 1htf n GLN 61 Ca 0.07 0.36 -0.40 0.00 -1.94 0.00 0.00 57.00 55.09 1htf n GLN 61 Cb 0.59 -5.06 -0.05 0.00 0.11 0.00 0.00 30.24 25.83 1htf n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1htf s ILE 62 N -3.12 4.55 0.19 5.09 -1.09 0.54 -4.61 121.20 122.76 1htf s ILE 62 Ca 0.63 1.76 -0.28 0.00 -2.23 0.00 0.00 60.65 60.53 1htf s ILE 62 Cb -0.35 -4.17 -0.08 0.00 -1.58 0.00 0.00 42.46 36.28 1htf s ILE 62 CO 0.78 0.41 0.88 -0.22 -1.23 0.00 0.00 174.94 175.55 1htf s LEU 63 N -0.41 4.61 -0.08 2.97 0.20 -1.26 -1.11 118.68 123.60 1htf s LEU 63 Ca 0.39 1.81 -0.05 0.00 0.69 0.00 0.00 54.13 56.98 1htf s LEU 63 Cb -0.22 -3.48 0.03 0.00 -0.43 0.00 0.00 46.19 42.09 1htf s LEU 63 CO 0.26 0.15 0.18 -0.51 -0.29 0.00 0.00 176.35 176.14 1htf s ILE 64 N -1.01 -0.03 -0.21 6.68 2.07 0.19 -4.58 121.20 124.30 1htf s ILE 64 Ca 0.40 0.11 -0.10 0.00 -1.41 0.00 0.00 60.65 59.65 1htf s ILE 64 Cb -0.25 -0.28 -0.05 0.00 0.13 0.00 0.00 42.46 42.02 1htf s ILE 64 CO 0.29 0.04 0.14 -1.61 -1.91 0.00 0.00 174.94 171.90 1htf s GLU 65 N 0.82 4.14 -0.26 3.50 2.02 -0.03 -0.83 118.70 128.07 1htf s GLU 65 Ca -0.06 -0.24 0.01 0.00 0.02 0.00 0.00 54.97 54.70 1htf s GLU 65 Cb -0.08 -3.45 0.05 0.00 0.10 0.00 0.00 34.13 30.75 1htf s GLU 65 CO -0.05 0.22 -0.10 0.42 0.02 0.00 0.00 175.26 175.77 1htf s ILE 66 N 0.60 2.37 -1.38 -1.63 1.01 0.13 -1.04 121.20 121.27 1htf s ILE 66 Ca 0.08 -1.45 -0.07 0.00 0.00 0.00 0.00 60.65 59.20 1htf s ILE 66 Cb -0.12 -2.32 0.00 0.00 0.01 0.00 0.00 42.46 40.03 1htf s ILE 66 CO 0.00 0.05 0.41 0.00 0.00 0.00 0.00 174.94 175.40 1htf n GLY 68 N -2.09 2.84 3.78 0.00 0.00 -1.26 -5.00 105.19 103.46 1htf n GLY 68 Ca -0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.37 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 -0.75 3.82 0.15 1.61 4.02 -0.65 -5.04 115.29 118.45 1htf s HIS 69 Ca 0.00 1.45 -0.14 0.00 1.02 0.00 0.00 55.06 57.39 1htf s HIS 69 Cb 0.00 -2.67 -0.07 0.00 -1.02 0.00 0.00 32.58 28.82 1htf s HIS 69 CO 0.00 0.48 0.55 0.15 1.02 0.00 0.00 174.74 176.94 1htf s LYS 70 N -0.86 3.96 0.04 1.40 1.02 -1.26 0.22 119.74 124.27 1htf s LYS 70 Ca 0.33 0.47 -0.09 0.00 0.02 0.00 0.00 55.97 56.71 1htf s LYS 70 Cb -0.21 -2.91 0.00 0.00 -0.52 0.00 0.00 37.83 34.19 1htf s LYS 70 CO 0.22 0.47 0.18 0.00 -0.92 0.00 0.00 175.35 175.30 1htf s ALA 71 N -1.49 -0.30 -0.02 5.17 0.00 -0.01 -4.77 121.76 120.34 1htf s ALA 71 Ca 0.38 -0.36 0.06 0.00 0.00 0.00 0.00 51.96 52.04 1htf s ALA 71 Cb -0.15 0.30 -0.01 0.00 0.00 0.00 0.00 23.12 23.26 1htf s ALA 71 CO 0.19 -0.37 -0.19 0.42 0.00 0.00 0.00 175.76 175.81 1htf s ILE 72 N -2.72 1.51 -0.07 0.00 1.01 -1.26 -0.64 121.20 119.03 1htf s ILE 72 Ca -0.04 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.53 1htf s ILE 72 Cb -0.00 -1.26 0.09 0.00 0.01 0.00 0.00 42.46 41.29 1htf s ILE 72 CO -0.05 0.43 1.24 0.61 0.00 0.00 0.00 174.94 177.17 1htf n GLY 73 N 2.72 0.15 3.74 6.18 0.00 -0.27 -4.89 105.19 112.81 1htf n GLY 73 Ca -0.16 -1.01 -0.41 0.00 0.00 0.00 0.00 46.02 44.45 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 -2.01 4.22 -0.05 2.61 2.01 -1.26 -0.33 115.64 120.82 1htf s THR 74 Ca 0.30 1.92 -0.01 0.00 0.31 0.00 0.00 61.69 64.21 1htf s THR 74 Cb -0.00 -4.23 0.03 0.00 0.01 0.00 0.00 72.50 68.31 1htf s THR 74 CO -0.02 0.33 0.02 -0.69 -0.69 0.00 0.00 174.62 173.57 1htf s VAL 75 N -0.27 0.19 0.15 3.82 1.01 -0.83 -4.43 120.40 120.03 1htf s VAL 75 Ca 0.47 0.19 -0.12 0.00 0.00 0.00 0.00 61.98 62.52 1htf s VAL 75 Cb -0.26 -0.36 -0.07 0.00 0.00 0.00 0.00 36.38 35.70 1htf s VAL 75 CO 0.32 0.21 0.52 -0.76 0.00 0.00 0.00 175.10 175.38 1htf s LEU 76 N 1.74 4.30 -0.07 3.92 1.43 -0.15 -2.24 118.68 127.61 1htf s LEU 76 Ca 0.01 0.98 0.03 0.00 -1.03 0.00 0.00 54.13 54.12 1htf s LEU 76 Cb -0.13 -3.29 0.01 0.00 0.03 0.00 0.00 46.19 42.80 1htf s LEU 76 CO -0.03 0.08 -0.18 -0.69 0.23 0.00 0.00 176.35 175.76 1htf s VAL 77 N -1.53 1.54 0.00 -1.59 1.01 -0.22 -0.41 120.40 119.20 1htf s VAL 77 Ca 0.39 -0.73 0.00 0.00 0.00 0.00 0.00 61.98 61.64 1htf s VAL 77 Cb -0.14 -1.35 0.00 0.00 0.00 0.00 0.00 36.38 34.89 1htf s VAL 77 CO 0.19 0.44 0.00 0.61 0.00 0.00 0.00 175.10 176.35 1htf n GLY 78 N 3.58 -0.56 2.47 4.51 0.00 -0.07 -2.24 105.19 112.88 1htf n GLY 78 Ca -0.21 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.45 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 -0.13 3.22 -2.98 1.61 -0.04 -1.26 -3.36 135.00 132.05 1htf n PRO 79 Ca 0.00 -2.16 -0.36 0.00 -0.04 0.00 0.00 63.50 60.94 1htf n PRO 79 Cb 0.00 -2.85 -0.06 0.00 -0.04 0.00 0.00 33.50 30.55 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 2.66 4.45 0.37 0.52 -1.32 -1.26 -5.00 115.64 116.06 1htf s THR 80 Ca 0.61 1.44 0.06 0.00 -1.21 0.00 0.00 61.69 62.59 1htf s THR 80 Cb 0.16 -3.87 0.21 0.00 -1.51 0.00 0.00 72.50 67.49 1htf s THR 80 CO -0.05 0.11 1.96 1.55 -2.21 0.00 0.00 174.62 175.98 1htf h PRO 81 N 3.12 0.50 -4.81 7.08 0.13 -1.98 -3.44 132.00 132.61 1htf h PRO 81 Ca -0.48 -0.07 -0.28 0.00 -0.87 0.00 0.00 66.00 64.31 1htf h PRO 81 Cb 1.19 -0.09 -0.16 0.00 0.13 0.00 0.00 31.00 32.06 1htf h PRO 81 CO 0.65 0.45 -0.72 0.54 -0.23 0.00 0.00 178.00 178.69 1htf s VAL 82 N -5.18 0.83 0.06 1.56 0.11 -1.26 -5.02 120.40 111.51 1htf s VAL 82 Ca -0.08 -1.76 -0.31 0.00 -2.93 0.00 0.00 61.98 56.90 1htf s VAL 82 Cb 0.16 -1.48 -0.06 0.00 -1.53 0.00 0.00 36.38 33.47 1htf s VAL 82 CO 0.75 -0.70 1.22 0.20 -3.33 0.00 0.00 175.10 173.24 1htf s ASN 83 N -2.71 7.04 -0.17 3.54 0.01 -1.26 -4.54 114.94 116.86 1htf s ASN 83 Ca 0.08 2.05 0.01 0.00 -0.71 0.00 0.00 52.86 54.29 1htf s ASN 83 Cb 0.01 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.11 1htf s ASN 83 CO -0.02 -0.50 -0.19 -0.63 -1.51 0.00 0.00 177.10 174.25 1htf s ILE 84 N 1.11 1.97 -0.40 0.60 1.01 0.92 -0.62 121.20 125.79 1htf s ILE 84 Ca 0.59 -0.88 -0.20 0.00 0.00 0.00 0.00 60.65 60.16 1htf s ILE 84 Cb -0.30 -1.78 0.01 0.00 0.01 0.00 0.00 42.46 40.40 1htf s ILE 84 CO 0.29 0.52 0.62 -0.63 0.00 0.00 0.00 174.94 175.74 1htf s ILE 85 N 1.29 4.88 0.15 2.92 -1.09 0.72 -1.21 121.20 128.86 1htf s ILE 85 Ca 0.04 0.27 0.02 0.00 -2.23 0.00 0.00 60.65 58.75 1htf s ILE 85 Cb -0.13 -4.13 0.02 0.00 -1.58 0.00 0.00 42.46 36.64 1htf s ILE 85 CO -0.12 -0.46 0.18 0.61 -1.23 0.00 0.00 174.94 173.93 1htf n GLY 86 N 4.90 2.17 0.27 6.18 0.00 -1.21 -0.89 105.19 116.61 1htf n GLY 86 Ca -0.02 -2.17 0.09 0.00 0.00 0.00 0.00 46.02 43.93 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 0.00 -0.79 1.61 3.08 -0.55 -1.80 114.38 115.94 1htf h ARG 87 Ca -0.07 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.17 1htf h ARG 87 Cb 0.32 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.33 1htf h ARG 87 CO 0.11 0.00 0.55 -2.95 -1.07 0.00 0.00 179.97 176.60 1htf h ASN 88 N 0.00 0.19 0.00 7.04 -1.07 -1.73 -2.87 115.58 117.14 1htf h ASN 88 Ca 0.00 0.02 -0.25 0.00 0.07 0.00 0.00 56.30 56.14 1htf h ASN 88 Cb 0.01 -0.02 -0.05 0.00 -2.07 0.00 0.00 38.32 36.19 1htf h ASN 88 CO -0.00 0.09 -1.92 0.18 0.07 0.00 0.00 177.43 175.84 1htf n LEU 89 N -4.40 0.37 -0.18 6.14 4.77 -0.74 -4.36 117.00 118.58 1htf n LEU 89 Ca 0.16 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1htf n LEU 89 Cb 0.72 0.22 0.39 0.00 -2.33 0.00 0.00 43.42 42.42 1htf n LEU 89 CO 0.35 0.39 1.21 -0.07 -1.33 0.00 0.00 177.39 177.94 1htf h LEU 90 N 0.00 0.60 -1.44 2.23 3.38 -1.37 0.14 115.31 118.86 1htf h LEU 90 Ca -0.36 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 57.59 1htf h LEU 90 Cb 1.80 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 42.42 1htf h LEU 90 CO 0.01 0.36 0.07 0.71 0.09 0.00 0.00 178.44 179.69 1htf h THR 91 N 0.67 1.15 -0.02 0.22 1.35 -1.73 0.14 112.91 114.69 1htf h THR 91 Ca 0.34 -0.52 -0.15 0.00 -0.55 0.00 0.00 66.41 65.52 1htf h THR 91 Cb 0.43 0.84 -0.02 0.00 -1.73 0.00 0.00 68.15 67.67 1htf h THR 91 CO -0.12 0.19 -0.70 1.56 -0.25 0.00 0.00 175.52 176.20 1htf h GLN 92 N 0.44 0.09 -0.30 4.72 4.20 -0.95 -2.68 115.11 120.64 1htf h GLN 92 Ca 0.11 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1htf h GLN 92 Cb 0.17 0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.97 1htf h GLN 92 CO -0.00 0.75 0.00 0.44 -0.67 0.00 0.00 178.83 179.35 1htf n ILE 93 N -3.75 0.40 -1.17 2.54 -5.35 -0.73 -4.95 119.36 106.35 1htf n ILE 93 Ca -0.02 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.00 1htf n ILE 93 Cb 0.68 0.34 0.00 0.00 -1.74 0.00 0.00 39.64 38.92 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 1.14 0.90 3.71 3.28 0.00 -0.91 -5.01 105.19 108.31 1htf n GLY 94 Ca 0.15 -0.59 -0.38 0.00 0.00 0.00 0.00 46.02 45.19 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 0.85 2.49 0.05 0.00 -4.23 -1.26 -4.68 115.64 108.86 1htf s THR 96 Ca 0.26 -2.35 -0.11 0.00 -1.18 0.00 0.00 61.69 58.30 1htf s THR 96 Cb -0.15 -2.30 -0.06 0.00 1.34 0.00 0.00 72.50 71.34 1htf s THR 96 CO 0.10 -0.36 0.40 -0.76 -0.54 0.00 0.00 174.62 173.46 1htf s LEU 97 N -3.41 4.39 -0.01 4.79 1.43 -1.26 -5.08 118.68 119.53 1htf s LEU 97 Ca 0.29 0.84 0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1htf s LEU 97 Cb -0.05 -2.84 -0.01 0.00 0.03 0.00 0.00 46.19 43.32 1htf s LEU 97 CO 0.15 0.23 -0.11 0.20 0.23 0.00 0.00 176.35 177.04 1htf s ASN 98 N -1.53 1.29 0.00 2.29 0.01 -1.26 -5.29 114.94 110.46 1htf s ASN 98 Ca 0.30 -0.20 0.00 0.00 -0.71 0.00 0.00 52.86 52.25 1htf s ASN 98 Cb -0.15 -0.15 0.00 0.00 0.41 0.00 0.00 41.25 41.36 1htf s ASN 98 CO 0.16 0.13 0.00 2.22 -1.51 0.00 0.00 177.10 178.10