#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 4.31 -0.17 0.54 0.74 -1.26 -5.06 119.66 118.76 1meu s GLN 2 Ca 0.00 0.87 -0.01 0.00 0.05 0.00 0.00 55.36 56.27 1meu s GLN 2 Cb 0.00 -3.17 0.05 0.00 1.10 0.00 0.00 33.01 30.99 1meu s GLN 2 CO 0.00 0.57 -0.02 0.08 -0.55 0.00 0.00 175.29 175.37 1meu s VAL 3 N -1.21 0.86 0.74 1.34 1.01 -1.26 -5.13 120.40 116.75 1meu s VAL 3 Ca 0.34 -0.57 -0.11 0.00 0.00 0.00 0.00 61.98 61.64 1meu s VAL 3 Cb -0.20 -1.15 0.04 0.00 0.00 0.00 0.00 36.38 35.07 1meu s VAL 3 CO 0.22 0.01 1.10 0.42 0.00 0.00 0.00 175.10 176.85 1meu s THR 4 N 1.73 2.78 -0.19 3.92 -4.23 -1.26 -5.00 115.64 113.39 1meu s THR 4 Ca 0.00 0.17 0.16 0.00 -1.18 0.00 0.00 61.69 60.84 1meu s THR 4 Cb -0.16 -3.23 0.49 0.00 1.34 0.00 0.00 72.50 70.94 1meu s THR 4 CO -0.07 -0.30 1.38 0.18 -0.54 0.00 0.00 174.62 175.27 1meu n LEU 5 N -3.09 3.67 0.15 4.79 4.77 -1.26 -4.43 117.00 121.60 1meu n LEU 5 Ca 0.07 -3.14 0.06 0.00 -0.03 0.00 0.00 56.01 52.97 1meu n LEU 5 Cb 0.59 -0.54 0.53 0.00 -2.33 0.00 0.00 43.42 41.67 1meu n LEU 5 CO 0.56 0.76 1.08 -0.50 -1.33 0.00 0.00 177.39 177.96 1meu h TRP 6 N 1.40 0.22 -2.56 -1.77 4.06 -2.07 -3.42 115.95 111.82 1meu h TRP 6 Ca 0.03 0.00 -0.52 0.00 2.06 0.00 0.00 58.89 60.47 1meu h TRP 6 Cb 1.40 -0.07 -0.14 0.00 -1.00 0.00 0.00 29.16 29.35 1meu h TRP 6 CO 0.49 0.17 -0.71 -0.65 -3.56 0.00 0.00 178.44 174.18 1meu s GLN 7 N -5.17 1.54 -0.05 0.49 -1.52 -1.26 -5.10 119.66 108.58 1meu s GLN 7 Ca -0.06 -1.74 -0.39 0.00 -1.95 0.00 0.00 55.36 51.22 1meu s GLN 7 Cb 0.17 -1.32 -0.18 0.00 -0.22 0.00 0.00 33.01 31.46 1meu s GLN 7 CO 0.70 0.15 1.36 0.54 -0.25 0.00 0.00 175.29 177.79 1meu n ARG 8 N -0.55 0.75 -2.60 2.91 1.74 -1.26 -4.86 116.66 112.78 1meu n ARG 8 Ca -0.06 0.27 -0.43 0.00 -0.77 0.00 0.00 57.85 56.86 1meu n ARG 8 Cb 0.62 -1.87 -0.00 0.00 -1.02 0.00 0.00 32.46 30.18 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 1.10 3.95 0.16 5.56 0.04 -1.26 -4.98 135.00 139.58 1meu s PRO 9 Ca 0.90 -1.94 -0.13 0.00 0.04 0.00 0.00 61.00 59.88 1meu s PRO 9 Cb -1.10 -5.50 -0.07 0.00 0.04 0.00 0.00 34.50 27.87 1meu s PRO 9 CO 0.56 -2.23 0.54 -0.51 0.04 0.00 0.00 177.00 175.40 1meu s LEU 10 N 4.17 4.30 0.16 -3.56 1.43 -1.26 -1.49 118.68 122.43 1meu s LEU 10 Ca 0.53 1.02 0.06 0.00 -1.03 0.00 0.00 54.13 54.70 1meu s LEU 10 Cb 0.03 -3.35 -0.04 0.00 0.03 0.00 0.00 46.19 42.86 1meu s LEU 10 CO 0.06 0.06 -0.12 0.68 0.23 0.00 0.00 176.35 177.26 1meu s VAL 11 N -1.55 1.38 0.03 -1.59 -7.23 -0.04 -4.95 120.40 106.46 1meu s VAL 11 Ca 0.40 -2.02 -0.23 0.00 -1.81 0.00 0.00 61.98 58.32 1meu s VAL 11 Cb -0.14 -1.83 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 1meu s VAL 11 CO 0.20 -0.62 0.69 -0.89 -0.31 0.00 0.00 175.10 174.17 1meu s THR 12 N -2.92 4.78 0.11 5.32 2.01 -1.26 -1.52 115.64 122.15 1meu s THR 12 Ca 0.16 1.47 0.07 0.00 0.31 0.00 0.00 61.69 63.70 1meu s THR 12 Cb -0.00 -4.04 -0.04 0.00 0.01 0.00 0.00 72.50 68.43 1meu s THR 12 CO 0.03 0.40 -0.08 0.27 -0.69 0.00 0.00 174.62 174.55 1meu s ILE 13 N -0.19 3.51 -0.19 1.82 -4.36 0.93 -2.39 121.20 120.33 1meu s ILE 13 Ca 0.35 -1.23 -0.03 0.00 -0.26 0.00 0.00 60.65 59.48 1meu s ILE 13 Cb -0.20 -2.66 -0.01 0.00 1.25 0.00 0.00 42.46 40.84 1meu s ILE 13 CO 0.21 0.10 -0.06 -0.75 0.24 0.00 0.00 174.94 174.68 1meu s LYS 14 N -2.28 3.45 -0.07 0.37 2.36 0.50 -1.13 119.74 122.94 1meu s LYS 14 Ca 0.23 -0.61 -0.03 0.00 -2.55 0.00 0.00 55.97 53.01 1meu s LYS 14 Cb -0.11 -2.92 0.04 0.00 -1.05 0.00 0.00 37.83 33.79 1meu s LYS 14 CO 0.15 -0.02 0.13 -1.50 1.55 0.00 0.00 175.35 175.66 1meu s ILE 15 N 1.01 -0.16 -1.45 5.43 2.07 0.12 -1.57 121.20 126.65 1meu s ILE 15 Ca 0.00 0.31 -0.10 0.00 -1.41 0.00 0.00 60.65 59.45 1meu s ILE 15 Cb -0.15 -0.24 0.05 0.00 0.13 0.00 0.00 42.46 42.26 1meu s ILE 15 CO 0.00 0.13 0.97 0.61 -1.91 0.00 0.00 174.94 174.74 1meu n GLY 16 N 4.91 -0.46 3.00 1.50 0.00 -1.26 -1.13 105.19 111.75 1meu n GLY 16 Ca -0.12 0.19 0.00 0.00 0.00 0.00 0.00 46.02 46.09 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 -1.71 1.12 3.50 -0.02 0.00 -1.26 -5.00 105.19 101.82 1meu n GLY 17 Ca -0.04 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.00 2.02 -0.15 1.61 -0.21 -0.28 -5.12 119.66 117.52 1meu s GLN 18 Ca 0.00 -1.04 -0.07 0.00 0.02 0.00 0.00 55.36 54.28 1meu s GLN 18 Cb 0.00 -2.21 -0.04 0.00 1.00 0.00 0.00 33.01 31.76 1meu s GLN 18 CO 0.00 0.52 0.08 -0.51 -2.12 0.00 0.00 175.29 173.26 1meu s LEU 19 N -1.81 3.97 0.22 2.90 1.02 -1.26 0.12 118.68 123.84 1meu s LEU 19 Ca 0.17 0.21 -0.05 0.00 0.02 0.00 0.00 54.13 54.48 1meu s LEU 19 Cb -0.11 -1.98 -0.03 0.00 0.02 0.00 0.00 46.19 44.09 1meu s LEU 19 CO 0.08 0.27 0.24 -0.54 0.02 0.00 0.00 176.35 176.43 1meu s LYS 20 N -0.20 1.32 0.08 1.70 1.02 -0.29 -4.99 119.74 118.38 1meu s LYS 20 Ca 0.08 -1.52 0.06 0.00 0.02 0.00 0.00 55.97 54.61 1meu s LYS 20 Cb -0.12 0.33 -0.04 0.00 -0.52 0.00 0.00 37.83 37.49 1meu s LYS 20 CO 0.01 -0.47 -0.06 -1.21 -0.92 0.00 0.00 175.35 172.70 1meu s GLU 21 N -4.10 2.35 0.07 1.68 2.02 -1.26 -0.05 118.70 119.41 1meu s GLU 21 Ca 0.34 -0.91 -0.08 0.00 0.02 0.00 0.00 54.97 54.34 1meu s GLU 21 Cb 0.05 -2.42 -0.00 0.00 0.10 0.00 0.00 34.13 31.85 1meu s GLU 21 CO 0.11 0.54 0.16 0.00 0.02 0.00 0.00 175.26 176.09 1meu s ALA 22 N -1.21 -0.18 -0.12 5.21 0.00 -0.58 -4.54 121.76 120.35 1meu s ALA 22 Ca 0.22 -0.58 -0.18 0.00 0.00 0.00 0.00 51.96 51.42 1meu s ALA 22 Cb -0.11 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.36 1meu s ALA 22 CO 0.14 -0.44 0.48 -0.51 0.00 0.00 0.00 175.76 175.43 1meu s LEU 23 N -2.61 4.28 -0.26 0.00 1.43 -0.56 -0.86 118.68 120.09 1meu s LEU 23 Ca 0.02 0.82 -0.29 0.00 -1.03 0.00 0.00 54.13 53.64 1meu s LEU 23 Cb 0.03 -2.70 -0.00 0.00 0.03 0.00 0.00 46.19 43.55 1meu s LEU 23 CO -0.09 0.00 1.31 -0.76 0.23 0.00 0.00 176.35 177.05 1meu s LEU 24 N 0.62 3.96 -0.34 1.79 1.43 -0.56 -0.26 118.68 125.33 1meu s LEU 24 Ca 0.26 1.36 0.02 0.00 -1.03 0.00 0.00 54.13 54.74 1meu s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.63 1meu s LEU 24 CO 0.10 -1.01 0.08 -0.62 0.23 0.00 0.00 176.35 175.14 1meu s ASP 25 N 2.67 4.41 0.49 2.29 -1.08 0.06 -4.80 116.67 120.72 1meu s ASP 25 Ca 0.57 -1.99 0.22 0.00 -0.52 0.00 0.00 52.55 50.82 1meu s ASP 25 Cb -0.18 -1.30 1.28 0.00 -1.46 0.00 0.00 42.92 41.26 1meu s ASP 25 CO 0.21 -0.39 2.05 0.71 0.52 0.00 0.00 175.17 178.28 1meu h THR 26 N 6.48 0.82 0.00 1.71 1.35 -1.93 -2.88 112.91 118.46 1meu h THR 26 Ca -0.08 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.25 1meu h THR 26 Cb 1.01 1.31 0.00 0.00 -1.73 0.00 0.00 68.15 68.74 1meu h THR 26 CO 0.50 0.14 0.00 1.23 -0.25 0.00 0.00 175.52 177.14 1meu h GLY 27 N 0.62 0.00 -6.05 5.82 0.00 -1.93 -3.44 103.07 98.09 1meu h GLY 27 Ca -0.00 0.00 -0.60 0.00 0.00 0.00 0.00 47.33 46.73 1meu h GLY 27 CO 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 176.54 176.16 1meu s ALA 28 N -3.67 3.64 0.10 3.60 0.00 -1.09 -4.98 121.76 119.37 1meu s ALA 28 Ca 0.01 -0.56 -0.15 0.00 0.00 0.00 0.00 51.96 51.26 1meu s ALA 28 Cb 0.09 -2.28 -0.09 0.00 0.00 0.00 0.00 23.12 20.84 1meu s ALA 28 CO 0.52 0.14 1.42 -0.44 0.00 0.00 0.00 175.76 177.39 1meu h ASP 29 N 6.60 0.77 -0.92 0.00 3.32 -1.88 0.22 116.42 124.54 1meu h ASP 29 Ca -0.42 -0.48 -0.62 0.00 0.02 0.00 0.00 57.03 55.53 1meu h ASP 29 Cb 1.16 -0.22 -0.10 0.00 0.22 0.00 0.00 39.33 40.39 1meu h ASP 29 CO 0.75 1.10 -0.47 -1.81 -1.72 0.00 0.00 179.24 177.09 1meu s ASP 30 N -6.59 4.31 -0.20 6.45 1.01 -1.26 -1.23 116.67 119.15 1meu s ASP 30 Ca -0.12 -1.36 -0.12 0.00 0.71 0.00 0.00 52.55 51.66 1meu s ASP 30 Cb 0.09 0.10 -0.05 0.00 1.01 0.00 0.00 42.92 44.07 1meu s ASP 30 CO 0.84 -0.78 0.23 -0.89 0.21 0.00 0.00 175.17 174.78 1meu s THR 31 N -2.75 5.33 -0.10 -1.27 2.01 -1.26 -3.14 115.64 114.46 1meu s THR 31 Ca 0.26 0.38 0.02 0.00 0.31 0.00 0.00 61.69 62.67 1meu s THR 31 Cb 0.02 -3.57 0.01 0.00 0.01 0.00 0.00 72.50 68.97 1meu s THR 31 CO 0.15 0.37 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.59 1meu s VAL 32 N 0.75 1.54 0.11 3.82 1.01 -0.67 -0.15 120.40 126.81 1meu s VAL 32 Ca 0.12 -0.69 0.10 0.00 0.00 0.00 0.00 61.98 61.51 1meu s VAL 32 Cb -0.13 -1.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.82 1meu s VAL 32 CO 0.03 0.45 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1meu s LEU 33 N 0.78 2.48 0.99 3.92 2.01 0.13 -0.92 118.68 128.06 1meu s LEU 33 Ca -0.11 -0.63 -0.11 0.00 0.01 0.00 0.00 54.13 53.29 1meu s LEU 33 Cb -0.16 -1.38 0.19 0.00 0.01 0.00 0.00 46.19 44.85 1meu s LEU 33 CO 0.02 0.19 1.11 -1.61 1.01 0.00 0.00 176.35 177.07 1meu s GLU 34 N -1.95 0.45 0.32 1.70 2.02 -1.25 -0.25 118.70 119.72 1meu s GLU 34 Ca 0.15 1.31 -0.29 0.00 0.02 0.00 0.00 54.97 56.17 1meu s GLU 34 Cb -0.10 -1.68 -0.11 0.00 0.10 0.00 0.00 34.13 32.34 1meu s GLU 34 CO 0.07 -2.95 1.44 -1.21 0.02 0.00 0.00 175.26 172.63 1meu s GLU 35 N -4.60 4.23 0.12 1.61 8.01 -1.14 -4.31 118.70 122.62 1meu s GLU 35 Ca 0.67 2.40 -0.25 0.00 0.01 0.00 0.00 54.97 57.80 1meu s GLU 35 Cb -0.23 -3.04 0.07 0.00 -4.31 0.00 0.00 34.13 26.62 1meu s GLU 35 CO 0.60 -0.42 0.76 0.00 0.01 0.00 0.00 175.26 176.21 1meu s MET 36 N -1.31 1.20 -0.29 1.61 0.23 -1.26 -5.00 119.30 114.48 1meu s MET 36 Ca 0.55 -0.52 -0.19 0.00 -1.03 0.00 0.00 55.69 54.51 1meu s MET 36 Cb -0.43 0.50 -0.02 0.00 -1.53 0.00 0.00 34.83 33.35 1meu s MET 36 CO 0.53 -0.53 0.55 -1.54 -2.03 0.00 0.00 175.02 172.00 1meu s SER 37 N -2.71 6.44 0.11 -1.18 1.04 -1.26 -5.03 113.70 111.11 1meu s SER 37 Ca 0.05 0.42 0.08 0.00 0.48 0.00 0.00 55.95 56.99 1meu s SER 37 Cb -0.02 -2.30 -0.04 0.00 0.10 0.00 0.00 66.02 63.77 1meu s SER 37 CO -0.07 -0.37 -0.21 -0.76 0.98 0.00 0.00 173.24 172.81 1meu s LEU 38 N 2.42 2.32 0.68 2.42 1.43 -1.26 -5.01 118.68 121.69 1meu s LEU 38 Ca 0.22 -0.71 0.01 0.00 -1.03 0.00 0.00 54.13 52.61 1meu s LEU 38 Cb -0.15 -0.90 0.11 0.00 0.03 0.00 0.00 46.19 45.28 1meu s LEU 38 CO 0.10 0.05 0.95 -2.16 0.23 0.00 0.00 176.35 175.52 1meu s PRO 39 N -2.04 1.84 0.23 1.29 0.04 -1.26 -4.97 135.00 130.13 1meu s PRO 39 Ca 0.08 -1.14 0.00 0.00 0.04 0.00 0.00 61.00 59.98 1meu s PRO 39 Cb -0.09 -2.39 0.00 0.00 0.04 0.00 0.00 34.50 32.06 1meu s PRO 39 CO 0.05 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.20 1meu n GLY 40 N -2.71 -1.77 2.98 0.56 0.00 -1.26 -4.99 105.19 98.00 1meu n GLY 40 Ca 0.14 -1.93 -0.23 0.00 0.00 0.00 0.00 46.02 44.01 1meu n GLY 40 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1meu n ARG 41 N 0.00 0.64 -3.98 1.61 3.00 -1.26 -5.16 116.66 111.51 1meu n ARG 41 Ca 0.00 -3.06 -0.10 0.00 -0.00 0.00 0.00 57.85 54.69 1meu n ARG 41 Cb 0.00 1.61 -0.07 0.00 0.00 0.00 0.00 32.46 34.00 1meu n ARG 41 CO 0.00 0.00 0.00 1.67 0.00 0.00 0.00 177.63 179.30 1meu s TRP 42 N -2.89 0.44 -0.02 -0.14 1.48 -1.26 -4.77 118.94 111.79 1meu s TRP 42 Ca 0.17 -0.79 0.08 0.00 -1.06 0.00 0.00 56.10 54.50 1meu s TRP 42 Cb 0.01 -0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.26 1meu s TRP 42 CO 0.12 -0.77 -0.25 0.15 -4.06 0.00 0.00 176.95 172.14 1meu s LYS 43 N -3.99 2.13 0.14 3.25 1.02 -0.21 -4.90 119.74 117.18 1meu s LYS 43 Ca 0.20 -0.92 -0.30 0.00 0.02 0.00 0.00 55.97 54.97 1meu s LYS 43 Cb 0.03 -2.07 -0.07 0.00 -0.52 0.00 0.00 37.83 35.20 1meu s LYS 43 CO 0.03 0.56 1.20 -2.14 -0.92 0.00 0.00 175.35 174.08 1meu s PRO 44 N -0.64 4.48 0.20 -1.68 0.02 -1.26 0.29 135.00 136.40 1meu s PRO 44 Ca 0.10 1.84 -0.07 0.00 0.02 0.00 0.00 61.00 62.89 1meu s PRO 44 Cb -0.10 -3.28 -0.02 0.00 0.02 0.00 0.00 34.50 31.12 1meu s PRO 44 CO -0.01 -0.14 0.29 0.21 -0.33 0.00 0.00 177.00 177.02 1meu s LYS 45 N 0.19 1.28 -0.05 5.54 2.20 1.00 -4.91 119.74 124.99 1meu s LYS 45 Ca 0.55 -1.36 -0.02 0.00 -0.36 0.00 0.00 55.97 54.78 1meu s LYS 45 Cb -0.32 0.37 0.04 0.00 -1.51 0.00 0.00 37.83 36.41 1meu s LYS 45 CO 0.34 -0.48 0.09 1.41 -0.36 0.00 0.00 175.35 176.35 1meu s MET 46 N -4.05 0.00 0.17 4.03 -2.45 -1.26 0.03 119.30 115.78 1meu s MET 46 Ca 0.26 0.34 0.11 0.00 -1.25 0.00 0.00 55.69 55.14 1meu s MET 46 Cb 0.03 -0.29 -0.04 0.00 1.25 0.00 0.00 34.83 35.79 1meu s MET 46 CO 0.07 -0.22 -0.23 0.96 1.05 0.00 0.00 175.02 176.65 1meu s ILE 47 N 1.52 2.18 0.13 10.11 -4.36 0.70 -4.93 121.20 126.54 1meu s ILE 47 Ca -0.04 -1.95 0.05 0.00 -0.26 0.00 0.00 60.65 58.44 1meu s ILE 47 Cb -0.12 -2.01 -0.04 0.00 1.25 0.00 0.00 42.46 41.54 1meu s ILE 47 CO -0.04 -0.14 0.09 -0.83 0.24 0.00 0.00 174.94 174.26 1meu s GLY 48 N -2.56 1.83 0.04 6.27 0.00 -1.26 0.33 107.32 111.96 1meu s GLY 48 Ca 0.18 -1.16 -0.01 0.00 0.00 0.00 0.00 44.72 43.74 1meu s GLY 48 CO 0.08 -1.16 0.06 0.61 0.00 0.00 0.00 173.10 172.70 1meu n GLY 49 N 0.03 2.73 3.78 0.20 0.00 0.81 -4.97 105.19 107.78 1meu n GLY 49 Ca -0.09 -1.30 -0.37 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.59 3.73 0.00 -0.61 1.01 -1.26 -2.89 121.20 118.59 1meu s ILE 50 Ca 0.03 1.38 0.00 0.00 0.00 0.00 0.00 60.65 62.06 1meu s ILE 50 Cb -0.00 -3.74 0.00 0.00 0.01 0.00 0.00 42.46 38.73 1meu s ILE 50 CO 0.02 0.06 0.00 0.61 0.00 0.00 0.00 174.94 175.63 1meu n GLY 51 N 0.47 2.24 0.00 6.18 0.00 -1.26 -4.91 105.19 107.91 1meu n GLY 51 Ca 0.04 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.57 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 0.49 3.28 -0.02 0.00 -1.14 -5.11 105.19 102.69 1meu n GLY 52 Ca 0.00 -1.37 -0.23 0.00 0.00 0.00 0.00 46.02 44.43 1meu n GLY 52 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1meu s PHE 53 N -4.00 1.72 0.10 1.61 -0.71 -1.26 -0.13 117.98 115.31 1meu s PHE 53 Ca 0.00 -0.44 0.07 0.00 -1.04 0.00 0.00 56.93 55.52 1meu s PHE 53 Cb 0.00 -0.93 -0.03 0.00 -1.21 0.00 0.00 43.02 40.85 1meu s PHE 53 CO 0.00 0.21 -0.17 0.96 -1.34 0.00 0.00 175.22 174.88 1meu s ILE 54 N -1.38 1.43 -0.15 -4.49 -4.36 0.15 -4.96 121.20 107.45 1meu s ILE 54 Ca 0.07 -1.52 -0.25 0.00 -0.26 0.00 0.00 60.65 58.69 1meu s ILE 54 Cb -0.09 -1.39 -0.02 0.00 1.25 0.00 0.00 42.46 42.21 1meu s ILE 54 CO 0.04 -0.21 0.83 -0.75 0.24 0.00 0.00 174.94 175.09 1meu s LYS 55 N -2.05 4.33 0.38 0.37 2.47 -1.26 -0.22 119.74 123.76 1meu s LYS 55 Ca 0.04 1.03 0.05 0.00 -1.56 0.00 0.00 55.97 55.53 1meu s LYS 55 Cb -0.09 -3.55 -0.07 0.00 -1.46 0.00 0.00 37.83 32.66 1meu s LYS 55 CO 0.03 -0.26 0.03 0.14 0.16 0.00 0.00 175.35 175.46 1meu s VAL 56 N 1.92 1.56 0.00 4.02 -7.23 0.10 -4.52 120.40 116.25 1meu s VAL 56 Ca 0.39 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.62 1meu s VAL 56 Cb -0.17 -2.85 -0.03 0.00 0.56 0.00 0.00 36.38 33.89 1meu s VAL 56 CO 0.14 0.00 -0.18 0.00 -0.31 0.00 0.00 175.10 174.75 1meu s ARG 57 N -3.80 2.22 -0.15 4.82 3.03 -0.79 -0.00 118.95 124.28 1meu s ARG 57 Ca 0.34 -0.88 -0.06 0.00 2.03 0.00 0.00 55.73 57.16 1meu s ARG 57 Cb 0.09 -2.23 -0.04 0.00 -1.03 0.00 0.00 34.95 31.74 1meu s ARG 57 CO 0.16 0.57 0.07 -1.14 -1.13 0.00 0.00 175.30 173.83 1meu s GLN 58 N -1.11 3.64 -0.03 3.89 0.74 0.15 -1.29 119.66 125.66 1meu s GLN 58 Ca 0.13 -0.30 0.07 0.00 0.05 0.00 0.00 55.36 55.32 1meu s GLN 58 Cb -0.10 -3.13 -0.02 0.00 1.10 0.00 0.00 33.01 30.86 1meu s GLN 58 CO 0.03 0.49 -0.25 0.71 -0.55 0.00 0.00 175.29 175.72 1meu s TYR 59 N -0.25 2.28 0.37 1.67 1.51 -0.73 -1.05 117.35 121.16 1meu s TYR 59 Ca 0.08 -0.48 0.08 0.00 -1.01 0.00 0.00 57.07 55.74 1meu s TYR 59 Cb -0.12 -1.48 -0.05 0.00 -0.11 0.00 0.00 41.96 40.21 1meu s TYR 59 CO 0.01 -0.07 0.12 -0.51 -1.11 0.00 0.00 175.55 174.00 1meu s ASP 60 N -0.51 4.44 -1.57 2.29 1.01 -1.26 -0.83 116.67 120.25 1meu s ASP 60 Ca 0.07 -0.96 -0.09 0.00 0.71 0.00 0.00 52.55 52.29 1meu s ASP 60 Cb -0.10 -0.57 0.07 0.00 1.01 0.00 0.00 42.92 43.33 1meu s ASP 60 CO -0.00 -0.38 0.53 0.00 0.21 0.00 0.00 175.17 175.52 1meu n GLN 61 N -1.14 -2.86 -3.54 8.23 6.02 -0.95 -4.82 117.38 118.32 1meu n GLN 61 Ca -0.02 0.34 -0.35 0.00 -0.01 0.00 0.00 57.00 56.96 1meu n GLN 61 Cb 0.63 -4.65 -0.06 0.00 1.02 0.00 0.00 30.24 27.18 1meu n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1meu s ILE 62 N -3.71 5.06 -0.14 5.09 2.07 -0.15 -4.76 121.20 124.66 1meu s ILE 62 Ca 0.34 0.54 -0.25 0.00 -1.41 0.00 0.00 60.65 59.87 1meu s ILE 62 Cb -0.19 -3.66 -0.02 0.00 0.13 0.00 0.00 42.46 38.72 1meu s ILE 62 CO 0.92 0.32 0.79 -0.22 -1.91 0.00 0.00 174.94 174.84 1meu s LEU 63 N -1.81 4.22 0.02 8.50 2.96 -1.26 -1.23 118.68 130.07 1meu s LEU 63 Ca 0.32 1.17 0.07 0.00 -0.22 0.00 0.00 54.13 55.47 1meu s LEU 63 Cb -0.14 -3.18 -0.02 0.00 0.50 0.00 0.00 46.19 43.34 1meu s LEU 63 CO 0.18 -0.31 -0.21 -0.51 -1.32 0.00 0.00 176.35 174.18 1meu s ILE 64 N 1.73 1.67 -0.21 6.68 2.07 0.15 -4.41 121.20 128.87 1meu s ILE 64 Ca 0.38 -1.10 -0.05 0.00 -1.41 0.00 0.00 60.65 58.48 1meu s ILE 64 Cb -0.17 -1.43 -0.02 0.00 0.13 0.00 0.00 42.46 40.98 1meu s ILE 64 CO 0.14 0.30 -0.01 -1.61 -1.91 0.00 0.00 174.94 171.85 1meu s GLU 65 N -0.95 3.52 -0.18 3.50 2.02 -0.61 -1.25 118.70 124.76 1meu s GLU 65 Ca 0.08 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.52 1meu s GLU 65 Cb -0.09 -3.06 0.02 0.00 0.10 0.00 0.00 34.13 31.10 1meu s GLU 65 CO 0.01 -0.08 -0.19 0.42 0.02 0.00 0.00 175.26 175.44 1meu s ILE 66 N 1.22 2.02 0.00 -1.63 1.01 0.82 -0.37 121.20 124.26 1meu s ILE 66 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 60.65 59.76 1meu s ILE 66 Cb -0.15 -1.83 0.00 0.00 0.01 0.00 0.00 42.46 40.49 1meu s ILE 66 CO 0.00 0.52 0.00 0.00 0.00 0.00 0.00 174.94 175.47 1meu n GLY 68 N 0.00 -0.41 3.65 0.00 0.00 -1.26 -4.81 105.19 102.36 1meu n GLY 68 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.78 3.28 0.21 1.61 4.02 -0.70 -5.06 115.29 116.87 1meu s HIS 69 Ca 0.00 0.11 -0.13 0.00 1.02 0.00 0.00 55.06 56.06 1meu s HIS 69 Cb 0.00 -2.12 -0.07 0.00 -1.02 0.00 0.00 32.58 29.37 1meu s HIS 69 CO 0.00 0.15 0.60 0.15 1.02 0.00 0.00 174.74 176.66 1meu s LYS 70 N 0.47 3.94 0.01 1.40 1.02 -1.26 -0.13 119.74 125.20 1meu s LYS 70 Ca 0.04 0.47 -0.15 0.00 0.02 0.00 0.00 55.97 56.36 1meu s LYS 70 Cb -0.12 -2.74 0.02 0.00 -0.52 0.00 0.00 37.83 34.47 1meu s LYS 70 CO 0.00 0.36 0.32 0.00 -0.92 0.00 0.00 175.35 175.11 1meu s ALA 71 N -1.69 -0.76 -0.03 5.17 0.00 -0.38 -4.88 121.76 119.20 1meu s ALA 71 Ca 0.44 0.19 0.06 0.00 0.00 0.00 0.00 51.96 52.65 1meu s ALA 71 Cb -0.13 0.20 -0.01 0.00 0.00 0.00 0.00 23.12 23.18 1meu s ALA 71 CO 0.20 -0.34 -0.20 0.42 0.00 0.00 0.00 175.76 175.84 1meu s ILE 72 N -1.95 1.58 -0.00 0.00 1.01 -1.26 -0.68 121.20 119.90 1meu s ILE 72 Ca -0.09 -0.83 -0.10 0.00 0.00 0.00 0.00 60.65 59.63 1meu s ILE 72 Cb -0.03 -1.33 0.03 0.00 0.01 0.00 0.00 42.46 41.14 1meu s ILE 72 CO 0.01 0.45 0.44 0.61 0.00 0.00 0.00 174.94 176.44 1meu n GLY 73 N 2.81 0.53 3.72 6.18 0.00 -0.37 -4.88 105.19 113.19 1meu n GLY 73 Ca -0.16 -0.91 -0.42 0.00 0.00 0.00 0.00 46.02 44.52 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 -2.13 3.44 -0.04 2.61 2.01 -1.26 -0.98 115.64 119.29 1meu s THR 74 Ca 0.10 1.04 0.05 0.00 0.31 0.00 0.00 61.69 63.19 1meu s THR 74 Cb -0.00 -3.67 -0.01 0.00 0.01 0.00 0.00 72.50 68.83 1meu s THR 74 CO -0.00 0.08 -0.19 0.68 -0.69 0.00 0.00 174.62 174.51 1meu s VAL 75 N 1.05 1.54 -0.17 3.82 -7.23 -0.01 -4.52 120.40 114.89 1meu s VAL 75 Ca 0.63 -0.79 -0.09 0.00 -1.81 0.00 0.00 61.98 59.91 1meu s VAL 75 Cb -0.35 -1.31 -0.05 0.00 0.56 0.00 0.00 36.38 35.23 1meu s VAL 75 CO 0.30 0.44 0.15 -0.76 -0.31 0.00 0.00 175.10 174.93 1meu s LEU 76 N -0.09 4.28 -0.01 1.32 1.02 0.78 -1.77 118.68 124.21 1meu s LEU 76 Ca -0.02 0.35 0.04 0.00 0.02 0.00 0.00 54.13 54.52 1meu s LEU 76 Cb -0.11 -2.12 -0.03 0.00 0.02 0.00 0.00 46.19 43.95 1meu s LEU 76 CO 0.02 0.25 -0.12 -0.69 0.02 0.00 0.00 176.35 175.83 1meu s VAL 77 N -0.11 3.24 -3.81 -1.59 1.01 -0.41 0.17 120.40 118.90 1meu s VAL 77 Ca 0.11 -0.82 0.00 0.00 0.00 0.00 0.00 61.98 61.27 1meu s VAL 77 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1meu s VAL 77 CO 0.01 0.48 0.00 0.61 0.00 0.00 0.00 175.10 176.19 1meu n GLY 78 N 1.90 -0.92 2.16 4.51 0.00 0.65 -1.89 105.19 111.60 1meu n GLY 78 Ca -0.16 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.65 1meu n GLY 78 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1meu n PRO 79 N 0.00 1.92 -3.23 1.61 -0.02 -1.26 -2.86 135.00 131.15 1meu n PRO 79 Ca 0.00 -1.03 -0.35 0.00 -2.02 0.00 0.00 63.50 60.10 1meu n PRO 79 Cb 0.00 -2.06 -0.06 0.00 -0.02 0.00 0.00 33.50 31.36 1meu n PRO 79 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1meu s THR 80 N 1.63 4.73 0.28 3.45 -1.32 -1.26 -4.95 115.64 118.20 1meu s THR 80 Ca 0.55 0.97 0.30 0.00 -1.21 0.00 0.00 61.69 62.31 1meu s THR 80 Cb 0.24 -3.74 0.32 0.00 -1.51 0.00 0.00 72.50 67.81 1meu s THR 80 CO -0.01 0.11 2.01 1.55 -2.21 0.00 0.00 174.62 176.07 1meu h PRO 81 N 3.14 0.00 -3.11 7.08 0.13 -1.98 -3.42 132.00 133.84 1meu h PRO 81 Ca -0.48 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.48 1meu h PRO 81 Cb 1.19 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.05 1meu h PRO 81 CO 0.66 0.11 -0.44 0.12 -0.23 0.00 0.00 178.00 178.21 1meu s PHE 82 N -3.90 -0.29 0.17 1.56 2.19 -1.26 -5.03 117.98 111.43 1meu s PHE 82 Ca -0.01 0.69 -0.31 0.00 0.33 0.00 0.00 56.93 57.63 1meu s PHE 82 Cb 0.11 0.08 -0.09 0.00 -1.31 0.00 0.00 43.02 41.82 1meu s PHE 82 CO 0.57 -0.16 1.41 -0.80 1.83 0.00 0.00 175.22 178.08 1meu s ASN 83 N 0.41 6.76 -0.10 6.13 0.01 -1.26 -4.73 114.94 122.17 1meu s ASN 83 Ca -0.02 2.47 0.02 0.00 -0.71 0.00 0.00 52.86 54.62 1meu s ASN 83 Cb -0.04 -2.60 0.01 0.00 0.41 0.00 0.00 41.25 39.03 1meu s ASN 83 CO -0.02 -0.66 -0.14 -0.69 -1.51 0.00 0.00 177.10 174.08 1meu s VAL 84 N 0.62 1.39 -0.27 1.60 1.01 -0.10 -1.50 120.40 123.15 1meu s VAL 84 Ca 0.62 -0.59 -0.14 0.00 0.00 0.00 0.00 61.98 61.87 1meu s VAL 84 Cb -0.39 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.68 1meu s VAL 84 CO 0.35 0.42 0.34 -0.63 0.00 0.00 0.00 175.10 175.58 1meu s ILE 85 N 0.92 5.19 0.24 2.22 -1.09 0.64 -1.67 121.20 127.66 1meu s ILE 85 Ca -0.09 0.48 0.04 0.00 -2.23 0.00 0.00 60.65 58.85 1meu s ILE 85 Cb -0.15 -3.68 0.04 0.00 -1.58 0.00 0.00 42.46 37.09 1meu s ILE 85 CO -0.00 0.16 0.30 0.61 -1.23 0.00 0.00 174.94 174.78 1meu n GLY 86 N 4.76 2.15 0.31 6.18 0.00 -1.19 -0.76 105.19 116.65 1meu n GLY 86 Ca -0.09 -2.18 0.05 0.00 0.00 0.00 0.00 46.02 43.79 1meu n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1meu h ARG 87 N 0.00 0.55 -0.83 1.61 3.08 -0.27 -1.17 114.38 117.34 1meu h ARG 87 Ca -0.12 -0.03 0.12 0.00 0.07 0.00 0.00 59.98 60.02 1meu h ARG 87 Cb 0.52 -0.12 -0.06 0.00 0.08 0.00 0.00 29.97 30.39 1meu h ARG 87 CO 0.18 0.36 0.54 -2.95 -1.07 0.00 0.00 179.97 177.02 1meu h ASN 88 N 0.56 0.62 0.48 7.04 -1.07 -1.42 -1.90 115.58 119.89 1meu h ASN 88 Ca 0.17 0.03 -0.18 0.00 0.07 0.00 0.00 56.30 56.39 1meu h ASN 88 Cb -0.00 -0.10 -0.03 0.00 -2.07 0.00 0.00 38.32 36.11 1meu h ASN 88 CO -0.04 0.34 -1.67 0.18 0.07 0.00 0.00 177.43 176.32 1meu n LEU 89 N -4.52 0.58 -0.14 6.14 4.32 -0.65 -4.25 117.00 118.48 1meu n LEU 89 Ca 0.15 0.25 -0.06 0.00 -0.02 0.00 0.00 56.01 56.34 1meu n LEU 89 Cb 0.41 0.14 0.13 0.00 -1.62 0.00 0.00 43.42 42.47 1meu n LEU 89 CO 0.31 0.18 0.86 -0.07 -1.22 0.00 0.00 177.39 177.45 1meu h LEU 90 N 0.00 0.83 -1.20 2.23 4.07 -0.72 -1.65 115.31 118.88 1meu h LEU 90 Ca -0.21 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.52 1meu h LEU 90 Cb 1.61 -0.22 -0.03 0.00 1.08 0.00 0.00 40.66 43.10 1meu h LEU 90 CO 0.04 0.90 0.29 0.71 -1.08 0.00 0.00 178.44 179.30 1meu h THR 91 N 0.80 1.20 0.00 0.22 1.35 -1.57 -0.40 112.91 114.51 1meu h THR 91 Ca 0.15 -0.55 -0.13 0.00 -0.55 0.00 0.00 66.41 65.34 1meu h THR 91 Cb 0.48 0.42 -0.02 0.00 -1.73 0.00 0.00 68.15 67.31 1meu h THR 91 CO 0.02 0.23 -0.60 1.56 -0.25 0.00 0.00 175.52 176.48 1meu h GLN 92 N 0.85 0.00 -0.20 4.72 4.20 -1.49 -2.21 115.11 120.97 1meu h GLN 92 Ca 0.21 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.92 1meu h GLN 92 Cb 0.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.86 1meu h GLN 92 CO -0.03 0.60 0.00 0.44 -0.67 0.00 0.00 178.83 179.17 1meu n ILE 93 N -3.73 0.27 -2.34 2.54 -5.35 -0.93 -4.90 119.36 104.91 1meu n ILE 93 Ca -0.01 -0.31 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 1meu n ILE 93 Cb 0.62 0.19 0.00 0.00 -1.74 0.00 0.00 39.64 38.71 1meu n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1meu n GLY 94 N 0.97 0.09 3.72 3.28 0.00 -0.83 -4.99 105.19 107.42 1meu n GLY 94 Ca 0.12 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.25 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 0.76 2.68 0.25 0.00 -4.23 -1.26 -4.68 115.64 109.16 1meu s THR 96 Ca 0.51 -2.30 0.08 0.00 -1.18 0.00 0.00 61.69 58.81 1meu s THR 96 Cb -0.22 -2.41 -0.04 0.00 1.34 0.00 0.00 72.50 71.17 1meu s THR 96 CO 0.29 -0.39 0.08 -1.48 -0.54 0.00 0.00 174.62 172.58 1meu s LEU 97 N -3.53 3.46 -0.16 4.79 2.34 -1.26 -5.10 118.68 119.23 1meu s LEU 97 Ca 0.30 -0.46 -0.07 0.00 0.06 0.00 0.00 54.13 53.96 1meu s LEU 97 Cb -0.05 -2.00 0.06 0.00 -0.56 0.00 0.00 46.19 43.64 1meu s LEU 97 CO 0.16 -0.01 0.35 0.20 -1.06 0.00 0.00 176.35 175.99 1meu s ASN 98 N -3.69 -0.25 0.00 1.48 0.01 -1.26 -5.29 114.94 105.94 1meu s ASN 98 Ca 0.32 0.78 0.00 0.00 -0.71 0.00 0.00 52.86 53.25 1meu s ASN 98 Cb -0.07 0.81 0.00 0.00 0.41 0.00 0.00 41.25 42.40 1meu s ASN 98 CO 0.22 -0.20 0.00 2.22 -1.51 0.00 0.00 177.10 177.82