#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1meu s GLN 2 N 0.00 3.61 -0.18 0.54 -0.21 -1.26 -5.07 119.66 117.08 1meu s GLN 2 Ca 0.00 0.51 -0.01 0.00 0.02 0.00 0.00 55.36 55.88 1meu s GLN 2 Cb 0.00 -2.23 0.05 0.00 1.00 0.00 0.00 33.01 31.83 1meu s GLN 2 CO 0.00 -0.37 -0.02 0.08 -2.12 0.00 0.00 175.29 172.86 1meu s VAL 3 N -2.91 0.97 0.71 1.09 1.01 -1.26 -5.13 120.40 114.89 1meu s VAL 3 Ca 0.52 -0.70 -0.11 0.00 0.00 0.00 0.00 61.98 61.69 1meu s VAL 3 Cb -0.11 -1.28 0.03 0.00 0.00 0.00 0.00 36.38 35.03 1meu s VAL 3 CO 0.47 -0.02 1.09 0.42 0.00 0.00 0.00 175.10 177.06 1meu s THR 4 N 1.67 3.17 -0.26 3.92 -4.23 -1.26 -4.97 115.64 113.68 1meu s THR 4 Ca -0.01 0.31 0.12 0.00 -1.18 0.00 0.00 61.69 60.93 1meu s THR 4 Cb -0.16 -3.37 0.59 0.00 1.34 0.00 0.00 72.50 70.90 1meu s THR 4 CO -0.07 -0.47 1.56 0.18 -0.54 0.00 0.00 174.62 175.27 1meu n LEU 5 N -3.02 4.65 0.24 4.79 4.77 -1.26 -4.23 117.00 122.94 1meu n LEU 5 Ca 0.07 -3.33 0.12 0.00 -0.03 0.00 0.00 56.01 52.85 1meu n LEU 5 Cb 0.58 -0.64 0.49 0.00 -2.33 0.00 0.00 43.42 41.52 1meu n LEU 5 CO 0.57 0.90 0.85 -0.50 -1.33 0.00 0.00 177.39 177.88 1meu h TRP 6 N 1.75 0.00 -2.57 -1.77 4.06 -2.06 -3.43 115.95 111.93 1meu h TRP 6 Ca 0.16 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.60 1meu h TRP 6 Cb 1.80 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.82 1meu h TRP 6 CO 0.91 0.14 -0.70 1.14 -3.56 0.00 0.00 178.44 176.37 1meu s GLN 7 N -3.59 1.54 0.15 0.49 -2.07 -1.26 -5.09 119.66 109.82 1meu s GLN 7 Ca 0.01 -1.75 -0.34 0.00 -1.82 0.00 0.00 55.36 51.47 1meu s GLN 7 Cb 0.09 -1.29 -0.14 0.00 -1.09 0.00 0.00 33.01 30.58 1meu s GLN 7 CO 0.61 0.13 1.61 0.54 -1.32 0.00 0.00 175.29 176.86 1meu n ARG 8 N -0.56 2.20 -2.64 9.60 1.74 -1.26 -4.87 116.66 120.87 1meu n ARG 8 Ca -0.06 0.79 -0.42 0.00 -0.77 0.00 0.00 57.85 57.40 1meu n ARG 8 Cb 0.62 -2.57 -0.03 0.00 -1.02 0.00 0.00 32.46 29.46 1meu n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 1meu s PRO 9 N 1.12 3.49 0.07 5.56 0.04 -1.26 -4.97 135.00 139.04 1meu s PRO 9 Ca 0.79 -1.06 0.02 0.00 0.04 0.00 0.00 61.00 60.79 1meu s PRO 9 Cb -0.67 -5.00 -0.04 0.00 0.04 0.00 0.00 34.50 28.83 1meu s PRO 9 CO 0.38 -2.10 0.12 -0.51 0.04 0.00 0.00 177.00 174.93 1meu s LEU 10 N 4.66 3.98 0.03 -3.56 1.43 -1.26 -1.16 118.68 122.80 1meu s LEU 10 Ca 0.40 0.08 0.01 0.00 -1.03 0.00 0.00 54.13 53.60 1meu s LEU 10 Cb -0.03 -2.63 -0.02 0.00 0.03 0.00 0.00 46.19 43.54 1meu s LEU 10 CO -0.04 0.18 -0.05 0.54 0.23 0.00 0.00 176.35 177.20 1meu s VAL 11 N -1.42 0.29 -0.12 -1.59 0.11 0.12 -4.94 120.40 112.86 1meu s VAL 11 Ca 0.31 -1.01 -0.28 0.00 -2.93 0.00 0.00 61.98 58.07 1meu s VAL 11 Cb -0.12 -0.45 -0.01 0.00 -1.53 0.00 0.00 36.38 34.26 1meu s VAL 11 CO 0.24 -0.47 0.94 -0.89 -3.33 0.00 0.00 175.10 171.58 1meu s THR 12 N -1.51 4.83 0.11 5.04 2.01 -1.26 -0.27 115.64 124.58 1meu s THR 12 Ca -0.13 1.88 0.08 0.00 0.31 0.00 0.00 61.69 63.83 1meu s THR 12 Cb -0.09 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.13 1meu s THR 12 CO -0.01 0.03 -0.12 0.27 -0.69 0.00 0.00 174.62 174.10 1meu s ILE 13 N 1.96 3.24 -0.10 1.82 -4.36 0.54 -0.88 121.20 123.42 1meu s ILE 13 Ca 0.45 -1.33 0.03 0.00 -0.26 0.00 0.00 60.65 59.54 1meu s ILE 13 Cb -0.18 -2.51 -0.01 0.00 1.25 0.00 0.00 42.46 41.01 1meu s ILE 13 CO 0.16 0.11 -0.21 -0.75 0.24 0.00 0.00 174.94 174.49 1meu s LYS 14 N -2.20 3.08 -0.10 0.37 2.20 0.19 -0.76 119.74 122.51 1meu s LYS 14 Ca 0.21 -0.83 -0.10 0.00 -0.36 0.00 0.00 55.97 54.89 1meu s LYS 14 Cb -0.11 -2.38 0.03 0.00 -1.51 0.00 0.00 37.83 33.86 1meu s LYS 14 CO 0.13 0.22 0.28 0.42 -0.36 0.00 0.00 175.35 176.04 1meu s ILE 15 N 0.27 0.00 -1.98 5.43 1.09 -0.14 -1.03 121.20 124.84 1meu s ILE 15 Ca -0.15 -0.01 0.00 0.00 -1.10 0.00 0.00 60.65 59.39 1meu s ILE 15 Cb -0.17 -0.40 0.00 0.00 -1.06 0.00 0.00 42.46 40.83 1meu s ILE 15 CO 0.07 -0.01 0.00 0.61 -0.10 0.00 0.00 174.94 175.52 1meu n GLY 16 N 2.89 0.63 2.75 6.18 0.00 -1.26 0.24 105.19 116.62 1meu n GLY 16 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1meu n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1meu n GLY 17 N -0.74 1.65 3.52 -0.02 0.00 -1.26 -5.00 105.19 103.33 1meu n GLY 17 Ca -0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.50 1meu n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1meu s GLN 18 N -0.08 1.89 -0.16 1.61 -0.21 0.14 -5.11 119.66 117.73 1meu s GLN 18 Ca 0.00 -1.16 -0.08 0.00 0.02 0.00 0.00 55.36 54.14 1meu s GLN 18 Cb 0.00 -2.16 -0.05 0.00 1.00 0.00 0.00 33.01 31.81 1meu s GLN 18 CO 0.00 0.48 0.13 -0.51 -2.12 0.00 0.00 175.29 173.27 1meu s LEU 19 N -2.24 4.28 0.20 2.90 1.43 -1.26 -0.96 118.68 123.01 1meu s LEU 19 Ca 0.20 0.34 -0.05 0.00 -1.03 0.00 0.00 54.13 53.58 1meu s LEU 19 Cb -0.10 -2.07 -0.03 0.00 0.03 0.00 0.00 46.19 44.01 1meu s LEU 19 CO 0.12 0.29 0.23 -0.54 0.23 0.00 0.00 176.35 176.67 1meu s LYS 20 N -0.29 1.24 0.15 1.70 1.02 0.06 -5.01 119.74 118.61 1meu s LYS 20 Ca 0.11 -1.43 0.06 0.00 0.02 0.00 0.00 55.97 54.73 1meu s LYS 20 Cb -0.11 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1meu s LYS 20 CO 0.01 -0.44 0.03 -1.21 -0.92 0.00 0.00 175.35 172.82 1meu s GLU 21 N -4.08 2.53 -0.06 1.68 2.02 -1.26 -0.34 118.70 119.20 1meu s GLU 21 Ca 0.29 -1.00 -0.21 0.00 0.02 0.00 0.00 54.97 54.08 1meu s GLU 21 Cb 0.05 -2.46 0.04 0.00 0.10 0.00 0.00 34.13 31.86 1meu s GLU 21 CO 0.08 0.48 0.47 0.00 0.02 0.00 0.00 175.26 176.30 1meu s ALA 22 N -1.63 -1.19 -0.18 5.21 0.00 0.63 -4.59 121.76 120.01 1meu s ALA 22 Ca 0.28 0.85 -0.13 0.00 0.00 0.00 0.00 51.96 52.96 1meu s ALA 22 Cb -0.10 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.86 1meu s ALA 22 CO 0.19 -0.29 0.26 -1.17 0.00 0.00 0.00 175.76 174.75 1meu s LEU 23 N -0.98 4.22 -0.10 0.00 2.96 -0.60 0.16 118.68 124.35 1meu s LEU 23 Ca -0.10 0.42 -0.30 0.00 -0.22 0.00 0.00 54.13 53.93 1meu s LEU 23 Cb -0.03 -2.30 -0.02 0.00 0.50 0.00 0.00 46.19 44.33 1meu s LEU 23 CO 0.05 0.10 1.18 -0.76 -1.32 0.00 0.00 176.35 175.60 1meu s LEU 24 N 0.55 4.24 -0.35 -0.68 1.02 -0.31 -0.60 118.68 122.55 1meu s LEU 24 Ca 0.14 1.73 0.00 0.00 0.02 0.00 0.00 54.13 56.02 1meu s LEU 24 Cb -0.13 -3.55 0.14 0.00 0.02 0.00 0.00 46.19 42.67 1meu s LEU 24 CO 0.03 -0.61 0.22 -0.62 0.02 0.00 0.00 176.35 175.39 1meu s ASP 25 N 1.51 2.84 0.58 2.29 -1.08 -0.50 -4.82 116.67 117.49 1meu s ASP 25 Ca 0.54 -2.25 0.27 0.00 -0.52 0.00 0.00 52.55 50.59 1meu s ASP 25 Cb -0.23 -0.39 1.72 0.00 -1.46 0.00 0.00 42.92 42.56 1meu s ASP 25 CO 0.19 -0.30 2.24 0.71 0.52 0.00 0.00 175.17 178.53 1meu h THR 26 N 4.99 0.61 0.00 1.71 1.35 -1.94 -2.04 112.91 117.60 1meu h THR 26 Ca 0.08 -0.01 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1meu h THR 26 Cb 0.97 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1meu h THR 26 CO 0.27 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.15 1meu n GLY 27 N -1.35 -0.88 3.42 5.82 0.00 -1.26 -4.76 105.19 106.18 1meu n GLY 27 Ca -0.03 -0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1meu n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meu s ALA 28 N -2.00 2.59 0.04 4.61 0.00 -0.77 -5.01 121.76 121.23 1meu s ALA 28 Ca 0.24 -0.97 0.05 0.00 0.00 0.00 0.00 51.96 51.27 1meu s ALA 28 Cb 0.11 -0.98 -0.24 0.00 0.00 0.00 0.00 23.12 22.00 1meu s ALA 28 CO 0.18 0.46 1.00 -0.44 0.00 0.00 0.00 175.76 176.97 1meu h ASP 29 N 5.76 0.14 -2.62 0.00 3.32 -1.86 0.67 116.42 121.84 1meu h ASP 29 Ca -0.40 -0.19 -0.53 0.00 0.02 0.00 0.00 57.03 55.93 1meu h ASP 29 Cb 1.17 -0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.54 1meu h ASP 29 CO 0.51 1.16 -0.65 -1.81 -1.72 0.00 0.00 179.24 176.73 1meu s ASP 30 N -6.67 3.03 -0.11 6.45 1.01 -1.26 -1.39 116.67 117.73 1meu s ASP 30 Ca -0.04 -1.26 -0.09 0.00 0.71 0.00 0.00 52.55 51.87 1meu s ASP 30 Cb 0.08 -0.22 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 1meu s ASP 30 CO 0.83 -0.39 0.19 -0.89 0.21 0.00 0.00 175.17 175.12 1meu s THR 31 N -2.95 5.41 -0.06 -1.27 2.01 -1.26 -3.59 115.64 113.93 1meu s THR 31 Ca 0.32 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.64 1meu s THR 31 Cb 0.06 -3.47 0.03 0.00 0.01 0.00 0.00 72.50 69.12 1meu s THR 31 CO 0.14 0.58 0.01 -0.69 -0.69 0.00 0.00 174.62 173.97 1meu s VAL 32 N -0.77 0.30 -0.01 3.82 1.01 -0.46 -1.55 120.40 122.74 1meu s VAL 32 Ca 0.16 0.16 0.06 0.00 0.00 0.00 0.00 61.98 62.35 1meu s VAL 32 Cb -0.13 -0.47 -0.03 0.00 0.00 0.00 0.00 36.38 35.76 1meu s VAL 32 CO 0.05 0.24 -0.17 -0.76 0.00 0.00 0.00 175.10 174.46 1meu s LEU 33 N 1.94 2.61 0.91 3.92 1.43 0.39 -0.78 118.68 129.11 1meu s LEU 33 Ca 0.04 -0.32 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1meu s LEU 33 Cb -0.12 -1.52 0.04 0.00 0.03 0.00 0.00 46.19 44.61 1meu s LEU 33 CO -0.05 0.30 0.54 -1.84 0.23 0.00 0.00 176.35 175.54 1meu n GLU 34 N 1.98 -0.20 -1.67 1.70 0.28 -1.26 -1.33 120.64 120.15 1meu n GLU 34 Ca -0.16 -0.01 -0.46 0.00 -0.16 0.00 0.00 57.16 56.36 1meu n GLU 34 Cb 0.52 -1.94 -0.04 0.00 1.43 0.00 0.00 31.44 31.41 1meu n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1meu n GLU 35 N -1.92 2.07 -3.65 3.44 4.07 -1.19 -4.55 120.64 118.91 1meu n GLU 35 Ca 0.08 0.74 -0.14 0.00 -0.06 0.00 0.00 57.16 57.79 1meu n GLU 35 Cb 0.53 -2.48 -0.07 0.00 -0.06 0.00 0.00 31.44 29.36 1meu n GLU 35 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1meu s MET 36 N 0.60 0.90 -0.16 5.31 -2.45 -1.26 -5.04 119.30 117.20 1meu s MET 36 Ca 0.77 -0.21 -0.29 0.00 -1.25 0.00 0.00 55.69 54.70 1meu s MET 36 Cb -0.69 0.41 -0.02 0.00 1.25 0.00 0.00 34.83 35.78 1meu s MET 36 CO 0.41 -0.29 1.31 -1.12 1.05 0.00 0.00 175.02 176.37 1meu s SER 37 N -1.72 6.90 0.02 1.11 0.01 -1.26 -5.01 113.70 113.75 1meu s SER 37 Ca -0.08 1.73 0.05 0.00 1.31 0.00 0.00 55.95 58.96 1meu s SER 37 Cb -0.02 -2.54 -0.02 0.00 0.21 0.00 0.00 66.02 63.66 1meu s SER 37 CO 0.01 -0.79 -0.15 -0.76 0.41 0.00 0.00 173.24 171.95 1meu s LEU 38 N 3.60 2.12 0.06 2.44 1.43 -1.26 -4.90 118.68 122.17 1meu s LEU 38 Ca 0.57 -0.40 -0.29 0.00 -1.03 0.00 0.00 54.13 52.98 1meu s LEU 38 Cb -0.23 -0.72 -0.05 0.00 0.03 0.00 0.00 46.19 45.23 1meu s LEU 38 CO 0.16 0.11 0.94 -2.16 0.23 0.00 0.00 176.35 175.64 1meu s PRO 39 N -0.85 4.63 0.00 1.29 0.04 -1.26 -4.99 135.00 133.86 1meu s PRO 39 Ca 0.04 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.47 1meu s PRO 39 Cb -0.07 -3.40 0.00 0.00 0.04 0.00 0.00 34.50 31.06 1meu s PRO 39 CO 0.01 0.13 0.00 0.41 0.04 0.00 0.00 177.00 177.59 1meu n GLY 40 N 2.50 0.92 3.83 0.56 0.00 -1.26 -5.03 105.19 106.71 1meu n GLY 40 Ca 0.03 -1.94 -0.32 0.00 0.00 0.00 0.00 46.02 43.79 1meu n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1meu s ARG 41 N -1.77 3.90 0.05 1.61 3.52 -1.26 -5.08 118.95 119.92 1meu s ARG 41 Ca 0.00 1.02 -0.27 0.00 -0.13 0.00 0.00 55.73 56.36 1meu s ARG 41 Cb 0.00 -2.13 0.09 0.00 -1.56 0.00 0.00 34.95 31.35 1meu s ARG 41 CO 0.00 -0.31 0.74 1.67 -0.81 0.00 0.00 175.30 176.59 1meu s TRP 42 N -2.53 -0.48 -0.06 5.12 1.48 -1.26 -4.72 118.94 116.50 1meu s TRP 42 Ca 0.60 0.42 0.04 0.00 -1.06 0.00 0.00 56.10 56.10 1meu s TRP 42 Cb -0.11 0.52 -0.00 0.00 -1.16 0.00 0.00 33.47 32.72 1meu s TRP 42 CO 0.29 -0.67 -0.20 0.15 -4.06 0.00 0.00 176.95 172.46 1meu s LYS 43 N -2.99 2.19 0.70 3.25 1.02 -0.16 -4.89 119.74 118.85 1meu s LYS 43 Ca 0.01 -0.71 -0.11 0.00 0.02 0.00 0.00 55.97 55.18 1meu s LYS 43 Cb -0.01 -1.82 0.01 0.00 -0.52 0.00 0.00 37.83 35.50 1meu s LYS 43 CO -0.07 0.24 1.06 -1.25 -0.92 0.00 0.00 175.35 174.41 1meu s PRO 44 N 0.12 2.90 0.19 -1.68 0.04 -1.26 0.17 135.00 135.47 1meu s PRO 44 Ca -0.08 0.86 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 1meu s PRO 44 Cb -0.14 -1.99 0.06 0.00 0.04 0.00 0.00 34.50 32.47 1meu s PRO 44 CO 0.04 -1.10 0.95 -1.59 0.04 0.00 0.00 177.00 175.34 1meu s LYS 45 N -5.09 1.34 0.03 4.56 -2.85 -0.11 -4.82 119.74 112.81 1meu s LYS 45 Ca 0.58 -0.79 0.03 0.00 -1.00 0.00 0.00 55.97 54.79 1meu s LYS 45 Cb -0.14 0.43 -0.04 0.00 -2.06 0.00 0.00 37.83 36.02 1meu s LYS 45 CO 0.55 -0.62 -0.03 -1.64 0.10 0.00 0.00 175.35 173.70 1meu s MET 46 N -2.95 2.58 0.06 1.78 -1.94 -1.26 0.13 119.30 117.70 1meu s MET 46 Ca 0.15 -0.75 0.08 0.00 -1.71 0.00 0.00 55.69 53.46 1meu s MET 46 Cb -0.02 -2.54 -0.03 0.00 2.01 0.00 0.00 34.83 34.25 1meu s MET 46 CO 0.04 0.58 -0.21 0.96 -0.01 0.00 0.00 175.02 176.39 1meu s ILE 47 N -1.12 1.68 0.14 2.53 -4.36 0.45 -4.97 121.20 115.54 1meu s ILE 47 Ca 0.20 -1.29 0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1meu s ILE 47 Cb -0.11 -1.48 -0.04 0.00 1.25 0.00 0.00 42.46 42.08 1meu s ILE 47 CO 0.12 0.13 0.29 -0.83 0.24 0.00 0.00 174.94 174.89 1meu s GLY 48 N -1.38 1.84 0.00 6.27 0.00 -1.26 0.04 107.32 112.83 1meu s GLY 48 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.85 1meu s GLY 48 CO 0.02 -0.92 0.00 0.61 0.00 0.00 0.00 173.10 172.81 1meu n GLY 49 N -0.38 6.28 3.55 0.20 0.00 0.62 -4.94 105.19 110.52 1meu n GLY 49 Ca -0.06 -1.71 -0.40 0.00 0.00 0.00 0.00 46.02 43.86 1meu n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1meu s ILE 50 N -0.17 3.49 0.00 -0.61 1.01 -1.26 -3.12 121.20 120.54 1meu s ILE 50 Ca 0.00 0.31 0.00 0.00 0.00 0.00 0.00 60.65 60.96 1meu s ILE 50 Cb 0.00 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.27 1meu s ILE 50 CO 0.00 -1.13 0.00 0.61 0.00 0.00 0.00 174.94 174.42 1meu n GLY 51 N 5.57 0.48 0.00 6.18 0.00 -1.26 -5.06 105.19 111.10 1meu n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 1meu n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1meu n GLY 52 N 0.00 0.67 3.37 -0.02 0.00 -1.18 -5.07 105.19 102.95 1meu n GLY 52 Ca 0.00 -2.12 -0.30 0.00 0.00 0.00 0.00 46.02 43.60 1meu n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1meu s PHE 53 N -1.13 2.34 0.18 1.61 0.40 -1.26 -0.28 117.98 119.85 1meu s PHE 53 Ca 0.00 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.02 1meu s PHE 53 Cb 0.00 -1.36 -0.04 0.00 0.51 0.00 0.00 43.02 42.13 1meu s PHE 53 CO 0.00 0.20 -0.03 0.96 0.70 0.00 0.00 175.22 177.05 1meu s ILE 54 N -0.89 3.56 -0.15 0.64 -4.36 0.11 -4.95 121.20 115.15 1meu s ILE 54 Ca 0.13 -1.49 -0.18 0.00 -0.26 0.00 0.00 60.65 58.85 1meu s ILE 54 Cb -0.10 -2.78 -0.04 0.00 1.25 0.00 0.00 42.46 40.79 1meu s ILE 54 CO 0.04 -0.11 0.46 -0.75 0.24 0.00 0.00 174.94 174.82 1meu s LYS 55 N -2.91 4.28 0.06 0.37 2.20 -1.26 -0.42 119.74 122.06 1meu s LYS 55 Ca 0.27 0.38 0.00 0.00 -0.36 0.00 0.00 55.97 56.26 1meu s LYS 55 Cb -0.09 -3.48 -0.04 0.00 -1.51 0.00 0.00 37.83 32.72 1meu s LYS 55 CO 0.18 0.07 -0.04 0.54 -0.36 0.00 0.00 175.35 175.73 1meu s VAL 56 N 0.93 0.36 -0.16 4.02 0.11 0.12 -4.47 120.40 121.30 1meu s VAL 56 Ca 0.24 -1.67 -0.07 0.00 -2.93 0.00 0.00 61.98 57.55 1meu s VAL 56 Cb -0.15 -1.33 -0.04 0.00 -1.53 0.00 0.00 36.38 33.33 1meu s VAL 56 CO 0.09 -0.85 0.06 -0.13 -3.33 0.00 0.00 175.10 170.94 1meu s ARG 57 N -3.39 3.79 -0.17 1.54 0.52 0.59 -0.93 118.95 120.89 1meu s ARG 57 Ca 0.04 -0.32 -0.08 0.00 -0.52 0.00 0.00 55.73 54.84 1meu s ARG 57 Cb 0.04 -3.16 -0.04 0.00 0.52 0.00 0.00 34.95 32.30 1meu s ARG 57 CO -0.07 0.39 0.12 1.14 0.02 0.00 0.00 175.30 176.91 1meu s GLN 58 N 0.04 3.87 -0.15 3.54 -2.07 0.13 -0.35 119.66 124.66 1meu s GLN 58 Ca 0.06 -0.21 0.01 0.00 -1.82 0.00 0.00 55.36 53.40 1meu s GLN 58 Cb -0.12 -3.30 0.00 0.00 -1.09 0.00 0.00 33.01 28.50 1meu s GLN 58 CO 0.01 0.48 -0.18 0.71 -1.32 0.00 0.00 175.29 174.98 1meu s TYR 59 N -0.16 2.73 0.42 9.60 1.51 -0.04 -0.99 117.35 130.42 1meu s TYR 59 Ca 0.10 -1.15 -0.02 0.00 -1.01 0.00 0.00 57.07 55.00 1meu s TYR 59 Cb -0.11 -1.85 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 1meu s TYR 59 CO 0.00 -0.52 0.66 -0.51 -1.11 0.00 0.00 175.55 174.08 1meu s ASP 60 N 0.78 6.17 -1.29 2.29 1.11 -1.26 -0.85 116.67 123.62 1meu s ASP 60 Ca -0.07 0.58 -0.01 0.00 0.18 0.00 0.00 52.55 53.23 1meu s ASP 60 Cb -0.16 -2.00 0.00 0.00 1.07 0.00 0.00 42.92 41.84 1meu s ASP 60 CO -0.00 -0.49 0.13 0.00 1.18 0.00 0.00 175.17 175.99 1meu n GLN 61 N -2.02 -1.94 -3.26 8.23 1.13 0.47 -4.87 117.38 115.11 1meu n GLN 61 Ca -0.02 0.74 -0.39 0.00 -1.94 0.00 0.00 57.00 55.39 1meu n GLN 61 Cb 0.56 -5.11 -0.06 0.00 0.11 0.00 0.00 30.24 25.74 1meu n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1meu s ILE 62 N -2.85 5.14 -0.18 5.09 -1.09 0.17 -4.62 121.20 122.87 1meu s ILE 62 Ca 0.06 0.99 -0.29 0.00 -2.23 0.00 0.00 60.65 59.18 1meu s ILE 62 Cb -0.03 -3.85 -0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1meu s ILE 62 CO 0.08 0.25 1.07 -0.22 -1.23 0.00 0.00 174.94 174.89 1meu s LEU 63 N 1.12 4.16 -0.04 2.97 0.20 -1.26 -1.61 118.68 124.23 1meu s LEU 63 Ca 0.26 1.49 0.06 0.00 0.69 0.00 0.00 54.13 56.63 1meu s LEU 63 Cb -0.15 -3.55 -0.02 0.00 -0.43 0.00 0.00 46.19 42.04 1meu s LEU 63 CO 0.10 -0.61 -0.22 -0.63 -0.29 0.00 0.00 176.35 174.70 1meu s ILE 64 N 2.84 2.42 -0.24 6.68 1.01 -0.09 -4.37 121.20 129.46 1meu s ILE 64 Ca 0.47 -0.96 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 1meu s ILE 64 Cb -0.17 -1.89 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1meu s ILE 64 CO 0.11 0.58 0.08 -1.61 0.00 0.00 0.00 174.94 174.10 1meu s GLU 65 N -0.56 3.75 -0.11 2.79 2.02 -0.20 -0.64 118.70 125.76 1meu s GLU 65 Ca 0.08 -0.44 0.02 0.00 0.02 0.00 0.00 54.97 54.66 1meu s GLU 65 Cb -0.11 -3.32 -0.01 0.00 0.10 0.00 0.00 34.13 30.79 1meu s GLU 65 CO 0.00 -0.08 -0.19 0.42 0.02 0.00 0.00 175.26 175.43 1meu s ILE 66 N 1.33 2.50 0.00 -1.63 1.01 0.26 -0.64 121.20 124.03 1meu s ILE 66 Ca 0.05 -0.87 0.00 0.00 0.00 0.00 0.00 60.65 59.83 1meu s ILE 66 Cb -0.15 -2.00 0.00 0.00 0.01 0.00 0.00 42.46 40.33 1meu s ILE 66 CO 0.04 0.55 0.00 0.00 0.00 0.00 0.00 174.94 175.53 1meu n GLY 68 N 0.00 0.60 3.79 0.00 0.00 -1.26 -4.94 105.19 103.38 1meu n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 1meu n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1meu s HIS 69 N 0.00 3.20 0.11 1.61 4.02 0.05 -5.09 115.29 119.18 1meu s HIS 69 Ca 0.00 0.06 0.04 0.00 1.02 0.00 0.00 55.06 56.19 1meu s HIS 69 Cb 0.00 -1.60 -0.04 0.00 -1.02 0.00 0.00 32.58 29.92 1meu s HIS 69 CO 0.00 0.52 0.07 0.15 1.02 0.00 0.00 174.74 176.50 1meu s LYS 70 N -2.57 2.77 0.04 1.40 1.02 -1.26 -0.57 119.74 120.57 1meu s LYS 70 Ca 0.30 -0.79 -0.09 0.00 0.02 0.00 0.00 55.97 55.41 1meu s LYS 70 Cb -0.12 -2.64 0.00 0.00 -0.52 0.00 0.00 37.83 34.55 1meu s LYS 70 CO 0.23 0.54 0.18 0.00 -0.92 0.00 0.00 175.35 175.37 1meu s ALA 71 N -1.46 -0.30 -0.01 5.17 0.00 0.19 -4.88 121.76 120.46 1meu s ALA 71 Ca 0.29 -0.34 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1meu s ALA 71 Cb -0.11 0.28 -0.02 0.00 0.00 0.00 0.00 23.12 23.26 1meu s ALA 71 CO 0.21 -0.35 -0.23 0.42 0.00 0.00 0.00 175.76 175.81 1meu s ILE 72 N -2.58 2.37 0.05 0.00 -1.09 -1.26 -0.92 121.20 117.77 1meu s ILE 72 Ca -0.05 -1.06 -0.09 0.00 -2.23 0.00 0.00 60.65 57.21 1meu s ILE 72 Cb -0.01 -1.88 0.03 0.00 -1.58 0.00 0.00 42.46 39.02 1meu s ILE 72 CO -0.04 0.53 0.44 0.61 -1.23 0.00 0.00 174.94 175.25 1meu n GLY 73 N 2.23 0.88 3.68 6.18 0.00 -0.63 -4.86 105.19 112.68 1meu n GLY 73 Ca -0.16 -0.99 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 1meu n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1meu s THR 74 N -2.30 4.93 0.18 2.61 2.01 -1.26 0.46 115.64 122.27 1meu s THR 74 Ca 0.10 1.60 0.10 0.00 0.31 0.00 0.00 61.69 63.80 1meu s THR 74 Cb -0.01 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 1meu s THR 74 CO 0.02 0.10 -0.15 0.68 -0.69 0.00 0.00 174.62 174.58 1meu s VAL 75 N 1.70 2.91 -0.11 3.82 -7.23 -0.03 -4.46 120.40 117.00 1meu s VAL 75 Ca 0.39 -1.75 -0.00 0.00 -1.81 0.00 0.00 61.98 58.81 1meu s VAL 75 Cb -0.17 -2.42 -0.02 0.00 0.56 0.00 0.00 36.38 34.33 1meu s VAL 75 CO 0.15 -0.09 -0.11 -0.76 -0.31 0.00 0.00 175.10 173.99 1meu s LEU 76 N -2.70 2.89 -0.10 1.32 1.02 -0.60 -0.86 118.68 119.66 1meu s LEU 76 Ca 0.23 -0.22 0.02 0.00 0.02 0.00 0.00 54.13 54.18 1meu s LEU 76 Cb -0.09 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.46 1meu s LEU 76 CO 0.13 0.23 -0.17 -0.69 0.02 0.00 0.00 176.35 175.86 1meu s VAL 77 N -0.00 2.71 0.00 -1.59 1.01 0.53 -0.46 120.40 122.60 1meu s VAL 77 Ca -0.02 -0.80 -0.01 0.00 0.00 0.00 0.00 61.98 61.14 1meu s VAL 77 Cb -0.14 -2.09 0.00 0.00 0.00 0.00 0.00 36.38 34.16 1meu s VAL 77 CO 0.04 0.55 0.04 0.61 0.00 0.00 0.00 175.10 176.34 1meu n GLY 78 N 3.21 0.73 2.62 4.51 0.00 -0.44 -0.30 105.19 115.51 1meu n GLY 78 Ca -0.18 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.58 1meu n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1meu n PRO 79 N -0.03 3.42 -3.39 1.61 -0.04 -1.26 -3.16 135.00 132.15 1meu n PRO 79 Ca 0.00 -2.77 -0.34 0.00 -0.04 0.00 0.00 63.50 60.36 1meu n PRO 79 Cb 0.02 -3.02 -0.06 0.00 -0.04 0.00 0.00 33.50 30.41 1meu n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 1meu s THR 80 N 1.90 4.90 -0.65 0.52 -1.32 -1.26 -4.99 115.64 114.73 1meu s THR 80 Ca 0.52 0.66 0.24 0.00 -1.21 0.00 0.00 61.69 61.90 1meu s THR 80 Cb 0.15 -3.68 0.24 0.00 -1.51 0.00 0.00 72.50 67.70 1meu s THR 80 CO -0.06 0.10 1.72 -0.81 -2.21 0.00 0.00 174.62 173.35 1meu n PRO 81 N 0.38 0.18 -3.68 7.08 -0.04 -1.26 -4.65 135.00 133.00 1meu n PRO 81 Ca -0.03 0.31 -0.14 0.00 -0.04 0.00 0.00 63.50 63.60 1meu n PRO 81 Cb 0.52 -1.78 -0.07 0.00 -0.04 0.00 0.00 33.50 32.12 1meu n PRO 81 CO 0.00 0.00 0.00 0.12 -0.04 0.00 0.00 175.50 175.58 1meu s PHE 82 N -3.19 -0.31 0.02 0.54 5.36 -1.26 -5.07 117.98 114.07 1meu s PHE 82 Ca 0.07 0.46 -0.30 0.00 -0.96 0.00 0.00 56.93 56.20 1meu s PHE 82 Cb 0.11 0.20 -0.05 0.00 -0.34 0.00 0.00 43.02 42.94 1meu s PHE 82 CO 0.45 -0.48 1.23 -0.80 -1.46 0.00 0.00 175.22 174.15 1meu s ASN 83 N -1.45 7.04 -0.05 6.13 0.01 -1.26 -4.59 114.94 120.76 1meu s ASN 83 Ca -0.11 1.98 0.07 0.00 -0.71 0.00 0.00 52.86 54.08 1meu s ASN 83 Cb -0.03 -2.57 -0.01 0.00 0.41 0.00 0.00 41.25 39.05 1meu s ASN 83 CO 0.04 -0.54 -0.25 0.68 -1.51 0.00 0.00 177.10 175.52 1meu s VAL 84 N 1.56 2.02 -0.33 1.60 -7.23 0.04 -1.56 120.40 116.50 1meu s VAL 84 Ca 0.59 -1.06 -0.16 0.00 -1.81 0.00 0.00 61.98 59.54 1meu s VAL 84 Cb -0.29 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.94 1meu s VAL 84 CO 0.27 0.57 0.39 -0.63 -0.31 0.00 0.00 175.10 175.38 1meu s ILE 85 N -0.28 5.15 0.56 -0.62 -1.09 0.24 -1.35 121.20 123.80 1meu s ILE 85 Ca 0.00 0.16 0.06 0.00 -2.23 0.00 0.00 60.65 58.64 1meu s ILE 85 Cb -0.13 -3.83 0.07 0.00 -1.58 0.00 0.00 42.46 37.00 1meu s ILE 85 CO 0.02 -0.08 0.77 -0.83 -1.23 0.00 0.00 174.94 173.60 1meu s GLY 86 N 1.73 1.80 0.46 6.18 0.00 -1.24 -1.41 107.32 114.84 1meu s GLY 86 Ca 0.13 -1.85 0.14 0.00 0.00 0.00 0.00 44.72 43.13 1meu s GLY 86 CO 0.12 -1.46 2.03 3.21 0.00 0.00 0.00 173.10 176.99 1meu h ARG 87 N 0.15 0.07 -0.89 2.90 3.08 -0.81 -1.51 114.38 117.37 1meu h ARG 87 Ca -0.35 -0.01 0.25 0.00 0.07 0.00 0.00 59.98 59.94 1meu h ARG 87 Cb 1.28 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 31.28 1meu h ARG 87 CO 0.43 0.17 0.63 -2.95 -1.07 0.00 0.00 179.97 177.18 1meu h ASN 88 N 0.07 0.06 0.13 7.04 -1.07 -1.49 -1.63 115.58 118.69 1meu h ASN 88 Ca 0.01 0.01 -0.34 0.00 0.07 0.00 0.00 56.30 56.05 1meu h ASN 88 Cb 0.22 -0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 36.40 1meu h ASN 88 CO 0.01 0.02 -2.20 0.18 0.07 0.00 0.00 177.43 175.51 1meu n LEU 89 N -4.31 0.22 -0.20 6.14 4.32 -0.64 -4.27 117.00 118.27 1meu n LEU 89 Ca 0.19 0.11 0.05 0.00 -0.02 0.00 0.00 56.01 56.33 1meu n LEU 89 Cb 0.92 0.40 0.31 0.00 -1.62 0.00 0.00 43.42 43.44 1meu n LEU 89 CO 0.38 0.46 1.22 -0.07 -1.22 0.00 0.00 177.39 178.16 1meu h LEU 90 N 0.00 0.74 -1.11 2.23 3.38 -0.78 0.10 115.31 119.87 1meu h LEU 90 Ca -0.47 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.42 1meu h LEU 90 Cb 2.16 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 42.74 1meu h LEU 90 CO 0.04 0.49 -0.36 0.71 0.09 0.00 0.00 178.44 179.42 1meu h THR 91 N 0.85 0.95 -0.16 0.22 1.35 -1.51 -1.86 112.91 112.75 1meu h THR 91 Ca 0.31 -1.39 -0.18 0.00 -0.55 0.00 0.00 66.41 64.59 1meu h THR 91 Cb 0.14 1.82 -0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1meu h THR 91 CO -0.10 0.35 -0.65 1.56 -0.25 0.00 0.00 175.52 176.44 1meu h GLN 92 N 0.00 0.59 0.00 4.72 4.20 -0.99 -3.15 115.11 120.47 1meu h GLN 92 Ca -0.00 -0.42 0.00 0.00 0.06 0.00 0.00 58.65 58.28 1meu h GLN 92 Cb 0.80 0.07 0.00 0.00 0.30 0.00 0.00 27.48 28.65 1meu h GLN 92 CO 0.05 1.04 0.00 -0.89 -0.67 0.00 0.00 178.83 178.36 1meu n ILE 93 N -3.92 0.56 -0.42 2.54 -0.00 -0.89 -4.89 119.36 112.35 1meu n ILE 93 Ca -0.04 0.10 0.00 0.00 -0.00 0.00 0.00 62.75 62.80 1meu n ILE 93 Cb 0.67 -0.79 0.00 0.00 -0.00 0.00 0.00 39.64 39.52 1meu n ILE 93 CO 0.00 0.00 0.00 0.61 -0.00 0.00 0.00 176.55 177.16 1meu n GLY 94 N 0.70 0.78 3.73 7.39 0.00 -1.09 -5.04 105.19 111.66 1meu n GLY 94 Ca 0.05 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.51 1meu n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1meu s THR 96 N 0.15 1.58 -0.11 0.00 -1.32 -1.26 -4.73 115.64 109.95 1meu s THR 96 Ca 0.54 -1.44 -0.08 0.00 -1.21 0.00 0.00 61.69 59.50 1meu s THR 96 Cb -0.32 -1.44 -0.04 0.00 -1.51 0.00 0.00 72.50 69.19 1meu s THR 96 CO 0.35 -0.05 0.16 -0.76 -2.21 0.00 0.00 174.62 172.11 1meu s LEU 97 N -1.76 4.39 -0.12 9.08 1.43 -1.26 -5.06 118.68 125.38 1meu s LEU 97 Ca 0.05 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.66 1meu s LEU 97 Cb -0.10 -2.12 0.02 0.00 0.03 0.00 0.00 46.19 44.03 1meu s LEU 97 CO 0.03 0.40 -0.10 0.20 0.23 0.00 0.00 176.35 177.11 1meu s ASN 98 N -1.01 2.32 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.11 1meu s ASN 98 Ca 0.16 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 51.09 1meu s ASN 98 Cb -0.12 -0.95 0.00 0.00 -0.02 0.00 0.00 41.25 40.16 1meu s ASN 98 CO 0.05 -0.09 0.25 2.22 -2.57 0.00 0.00 177.10 176.95