#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aoh s GLN 2 N 0.00 3.86 -0.20 -0.52 0.74 -1.26 -5.09 119.66 117.19 2aoh s GLN 2 Ca 0.00 -0.38 -0.03 0.00 0.05 0.00 0.00 55.36 55.01 2aoh s GLN 2 Cb 0.00 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.66 2aoh s GLN 2 CO 0.00 -0.08 -0.07 0.42 -0.55 0.00 0.00 175.29 175.01 2aoh s ILE 3 N 1.38 3.23 0.80 -2.34 1.01 -1.26 -5.10 121.20 118.91 2aoh s ILE 3 Ca 0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 60.65 60.04 2aoh s ILE 3 Cb -0.15 -2.44 0.08 0.00 0.01 0.00 0.00 42.46 39.96 2aoh s ILE 3 CO 0.06 0.45 1.16 0.42 0.00 0.00 0.00 174.94 177.03 2aoh s THR 4 N 1.22 2.03 -0.14 2.92 -4.23 -1.26 -5.02 115.64 111.17 2aoh s THR 4 Ca 0.03 -0.03 0.18 0.00 -1.18 0.00 0.00 61.69 60.68 2aoh s THR 4 Cb -0.14 -3.00 0.32 0.00 1.34 0.00 0.00 72.50 71.02 2aoh s THR 4 CO -0.02 0.00 1.19 0.18 -0.54 0.00 0.00 174.62 175.43 2aoh n LEU 5 N -3.28 2.59 0.18 4.79 4.77 -1.26 -4.57 117.00 120.23 2aoh n LEU 5 Ca 0.08 -3.05 0.05 0.00 -0.03 0.00 0.00 56.01 53.07 2aoh n LEU 5 Cb 0.61 -0.44 0.51 0.00 -2.33 0.00 0.00 43.42 41.77 2aoh n LEU 5 CO 0.56 0.70 1.00 -0.50 -1.33 0.00 0.00 177.39 177.82 2aoh h TRP 6 N 0.30 0.14 -2.88 -1.77 4.06 -2.06 -3.43 115.95 110.30 2aoh h TRP 6 Ca 0.00 -0.00 -0.47 0.00 2.06 0.00 0.00 58.89 60.48 2aoh h TRP 6 Cb 1.06 -0.04 -0.14 0.00 -1.00 0.00 0.00 29.16 29.04 2aoh h TRP 6 CO 0.08 0.18 -0.61 -1.59 -3.56 0.00 0.00 178.44 172.95 2aoh s LYS 7 N -4.94 1.64 0.24 0.49 -2.85 -1.26 -5.11 119.74 107.95 2aoh s LYS 7 Ca -0.05 -1.91 -0.31 0.00 -1.00 0.00 0.00 55.97 52.70 2aoh s LYS 7 Cb 0.16 -0.85 -0.12 0.00 -2.06 0.00 0.00 37.83 34.96 2aoh s LYS 7 CO 0.70 -0.19 1.61 0.54 0.10 0.00 0.00 175.35 178.11 2aoh n ARG 8 N -0.68 2.56 -2.61 1.78 1.74 -1.26 -4.87 116.66 113.33 2aoh n ARG 8 Ca -0.02 0.92 -0.43 0.00 -0.77 0.00 0.00 57.85 57.55 2aoh n ARG 8 Cb 0.67 -2.70 -0.01 0.00 -1.02 0.00 0.00 32.46 29.40 2aoh n ARG 8 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2aoh s PRO 9 N 0.22 3.93 0.00 5.56 0.04 -1.26 -4.96 135.00 138.54 2aoh s PRO 9 Ca 0.70 -1.91 -0.12 0.00 0.04 0.00 0.00 61.00 59.72 2aoh s PRO 9 Cb -0.54 -5.47 -0.05 0.00 0.04 0.00 0.00 34.50 28.48 2aoh s PRO 9 CO 0.42 -2.21 0.35 -0.51 0.04 0.00 0.00 177.00 175.10 2aoh s LEU 10 N 4.12 4.42 0.13 -3.56 1.43 -1.26 -1.31 118.68 122.64 2aoh s LEU 10 Ca 0.52 0.81 0.03 0.00 -1.03 0.00 0.00 54.13 54.45 2aoh s LEU 10 Cb 0.03 -2.61 -0.04 0.00 0.03 0.00 0.00 46.19 43.59 2aoh s LEU 10 CO 0.04 0.29 -0.06 0.68 0.23 0.00 0.00 176.35 177.54 2aoh s VAL 11 N -1.17 0.83 0.11 -1.59 -7.23 -0.09 -4.96 120.40 106.29 2aoh s VAL 11 Ca 0.25 -1.98 -0.25 0.00 -1.81 0.00 0.00 61.98 58.19 2aoh s VAL 11 Cb -0.15 -1.85 -0.07 0.00 0.56 0.00 0.00 36.38 34.87 2aoh s VAL 11 CO 0.13 -0.73 0.76 -0.89 -0.31 0.00 0.00 175.10 174.07 2aoh s THR 12 N -3.55 4.54 0.15 5.32 2.01 -1.26 -0.97 115.64 121.89 2aoh s THR 12 Ca 0.17 1.65 0.09 0.00 0.31 0.00 0.00 61.69 63.90 2aoh s THR 12 Cb 0.05 -4.12 -0.04 0.00 0.01 0.00 0.00 72.50 68.40 2aoh s THR 12 CO -0.01 0.46 -0.20 0.27 -0.69 0.00 0.00 174.62 174.45 2aoh s ILE 13 N -0.67 1.86 -0.15 1.82 -4.36 0.31 -0.79 121.20 119.23 2aoh s ILE 13 Ca 0.37 -1.84 0.00 0.00 -0.26 0.00 0.00 60.65 58.92 2aoh s ILE 13 Cb -0.22 -1.81 -0.00 0.00 1.25 0.00 0.00 42.46 41.68 2aoh s ILE 13 CO 0.24 -0.22 -0.15 -0.54 0.24 0.00 0.00 174.94 174.52 2aoh s LYS 14 N -2.55 3.24 -0.11 0.37 1.02 -0.40 -1.27 119.74 120.04 2aoh s LYS 14 Ca 0.14 -0.74 -0.08 0.00 0.02 0.00 0.00 55.97 55.31 2aoh s LYS 14 Cb -0.07 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.64 2aoh s LYS 14 CO 0.06 0.03 0.28 -1.50 -0.92 0.00 0.00 175.35 173.31 2aoh s ILE 15 N 0.78 -0.02 -1.59 2.17 2.07 -0.50 -1.03 121.20 123.09 2aoh s ILE 15 Ca -0.06 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.25 2aoh s ILE 15 Cb -0.15 -0.41 0.00 0.00 0.13 0.00 0.00 42.46 42.02 2aoh s ILE 15 CO 0.01 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.67 2aoh n GLY 16 N 3.53 0.01 2.61 1.50 0.00 -1.26 -1.04 105.19 110.54 2aoh n GLY 16 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2aoh n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoh n GLY 17 N -0.79 0.68 3.61 -0.02 0.00 -1.26 -5.01 105.19 102.39 2aoh n GLY 17 Ca -0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.49 2aoh n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2aoh s GLN 18 N -0.15 2.64 -0.05 1.61 -0.21 -0.20 -5.12 119.66 118.17 2aoh s GLN 18 Ca 0.00 -0.66 -0.17 0.00 0.02 0.00 0.00 55.36 54.55 2aoh s GLN 18 Cb 0.00 -2.56 -0.05 0.00 1.00 0.00 0.00 33.01 31.40 2aoh s GLN 18 CO 0.00 0.62 0.44 -0.51 -2.12 0.00 0.00 175.29 173.72 2aoh s LEU 19 N -1.31 4.38 0.07 2.90 1.43 -1.26 -1.41 118.68 123.48 2aoh s LEU 19 Ca 0.16 0.90 0.00 0.00 -1.03 0.00 0.00 54.13 54.17 2aoh s LEU 19 Cb -0.11 -2.64 -0.04 0.00 0.03 0.00 0.00 46.19 43.42 2aoh s LEU 19 CO 0.07 0.17 -0.05 -0.54 0.23 0.00 0.00 176.35 176.23 2aoh s LYS 20 N -0.26 0.72 -0.06 1.70 1.02 -0.40 -4.99 119.74 117.47 2aoh s LYS 20 Ca 0.25 -1.26 -0.17 0.00 0.02 0.00 0.00 55.97 54.81 2aoh s LYS 20 Cb -0.16 -0.02 -0.05 0.00 -0.52 0.00 0.00 37.83 37.08 2aoh s LYS 20 CO 0.12 -0.06 0.46 -1.21 -0.92 0.00 0.00 175.35 173.74 2aoh s GLU 21 N -3.78 4.18 0.02 1.68 0.41 -1.26 -0.53 118.70 119.43 2aoh s GLU 21 Ca 0.09 0.47 -0.04 0.00 -0.41 0.00 0.00 54.97 55.08 2aoh s GLU 21 Cb 0.06 -3.34 -0.01 0.00 -1.78 0.00 0.00 34.13 29.06 2aoh s GLU 21 CO -0.07 0.39 0.05 0.00 -0.49 0.00 0.00 175.26 175.15 2aoh s ALA 22 N -0.16 -0.04 -0.19 5.21 0.00 -0.14 -4.60 121.76 121.84 2aoh s ALA 22 Ca 0.25 -0.48 -0.19 0.00 0.00 0.00 0.00 51.96 51.55 2aoh s ALA 22 Cb -0.16 0.17 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 2aoh s ALA 22 CO 0.12 -0.23 0.53 -1.17 0.00 0.00 0.00 175.76 175.01 2aoh s LEU 23 N -1.69 4.15 -0.30 0.00 2.96 -0.07 -0.91 118.68 122.82 2aoh s LEU 23 Ca -0.12 0.70 -0.29 0.00 -0.22 0.00 0.00 54.13 54.20 2aoh s LEU 23 Cb -0.06 -2.73 -0.01 0.00 0.50 0.00 0.00 46.19 43.90 2aoh s LEU 23 CO -0.02 -0.18 1.43 -0.76 -1.32 0.00 0.00 176.35 175.51 2aoh s LEU 24 N 1.61 3.82 -0.32 -0.68 1.43 -0.43 -0.92 118.68 123.19 2aoh s LEU 24 Ca 0.25 1.26 0.02 0.00 -1.03 0.00 0.00 54.13 54.63 2aoh s LEU 24 Cb -0.15 -3.54 0.10 0.00 0.03 0.00 0.00 46.19 42.62 2aoh s LEU 24 CO 0.10 -1.22 0.05 -0.62 0.23 0.00 0.00 176.35 174.89 2aoh s ASP 25 N 3.54 4.45 0.35 2.29 -1.08 0.01 -4.80 116.67 121.42 2aoh s ASP 25 Ca 0.62 -1.89 0.27 0.00 -0.52 0.00 0.00 52.55 51.03 2aoh s ASP 25 Cb -0.19 -1.34 0.97 0.00 -1.46 0.00 0.00 42.92 40.91 2aoh s ASP 25 CO 0.27 -0.38 1.79 0.71 0.52 0.00 0.00 175.17 178.08 2aoh h THR 26 N 6.58 0.00 -0.38 1.71 1.35 -1.94 -2.17 112.91 118.06 2aoh h THR 26 Ca -0.09 -0.45 0.00 0.00 -0.55 0.00 0.00 66.41 65.32 2aoh h THR 26 Cb 1.02 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.79 2aoh h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2aoh n GLY 27 N 0.42 1.74 3.35 5.82 0.00 -1.26 -4.82 105.19 110.44 2aoh n GLY 27 Ca 0.03 -0.50 -0.33 0.00 0.00 0.00 0.00 46.02 45.21 2aoh n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoh s ALA 28 N -1.75 2.64 0.27 4.61 0.00 -0.82 -5.01 121.76 121.71 2aoh s ALA 28 Ca 0.30 -0.96 -0.01 0.00 0.00 0.00 0.00 51.96 51.29 2aoh s ALA 28 Cb 0.20 -1.31 0.36 0.00 0.00 0.00 0.00 23.12 22.37 2aoh s ALA 28 CO 0.14 0.09 1.78 -0.44 0.00 0.00 0.00 175.76 177.33 2aoh h ASP 29 N 7.03 0.75 -2.68 0.00 3.32 -1.87 0.11 116.42 123.08 2aoh h ASP 29 Ca -0.30 -0.17 -0.53 0.00 0.02 0.00 0.00 57.03 56.05 2aoh h ASP 29 Cb 1.20 -0.20 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 2aoh h ASP 29 CO 0.57 0.80 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.47 2aoh s ASP 30 N -6.64 2.92 -0.24 6.45 1.01 -1.26 -2.64 116.67 116.28 2aoh s ASP 30 Ca -0.09 -1.36 -0.10 0.00 0.71 0.00 0.00 52.55 51.71 2aoh s ASP 30 Cb 0.15 -0.20 -0.04 0.00 1.01 0.00 0.00 42.92 43.83 2aoh s ASP 30 CO 0.81 -0.53 0.13 -0.89 0.21 0.00 0.00 175.17 174.90 2aoh s THR 31 N -3.07 5.06 -0.11 -1.27 2.01 -1.26 -2.95 115.64 114.04 2aoh s THR 31 Ca 0.35 0.08 -0.00 0.00 0.31 0.00 0.00 61.69 62.43 2aoh s THR 31 Cb 0.09 -3.36 0.02 0.00 0.01 0.00 0.00 72.50 69.26 2aoh s THR 31 CO 0.16 0.34 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.67 2aoh s VAL 32 N 1.21 1.01 0.10 3.82 1.01 -0.61 -0.79 120.40 126.15 2aoh s VAL 32 Ca 0.06 -0.29 0.10 0.00 0.00 0.00 0.00 61.98 61.86 2aoh s VAL 32 Cb -0.14 -1.03 -0.04 0.00 0.00 0.00 0.00 36.38 35.17 2aoh s VAL 32 CO 0.05 0.36 -0.26 -0.63 0.00 0.00 0.00 175.10 174.63 2aoh s ILE 33 N 1.66 2.28 0.99 2.22 -1.09 0.21 -0.52 121.20 126.95 2aoh s ILE 33 Ca 0.04 -1.62 -0.11 0.00 -2.23 0.00 0.00 60.65 56.73 2aoh s ILE 33 Cb -0.13 -1.98 0.17 0.00 -1.58 0.00 0.00 42.46 38.95 2aoh s ILE 33 CO -0.08 0.18 1.05 -1.84 -1.23 0.00 0.00 174.94 173.02 2aoh n GLU 34 N 1.17 -0.95 -1.64 2.79 0.28 -1.26 -1.50 120.64 119.54 2aoh n GLU 34 Ca -0.17 -0.22 -0.48 0.00 -0.16 0.00 0.00 57.16 56.12 2aoh n GLU 34 Cb 0.53 -2.28 -0.05 0.00 1.43 0.00 0.00 31.44 31.06 2aoh n GLU 34 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 2aoh n GLU 35 N -4.22 1.73 -3.50 3.44 -0.58 -1.25 -4.59 120.64 111.67 2aoh n GLU 35 Ca 0.09 0.62 -0.10 0.00 -0.42 0.00 0.00 57.16 57.36 2aoh n GLU 35 Cb 0.53 -2.34 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2aoh n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2aoh s MET 36 N 0.70 1.10 0.15 3.49 0.23 -1.26 -5.05 119.30 118.66 2aoh s MET 36 Ca 0.81 -0.44 -0.18 0.00 -1.03 0.00 0.00 55.69 54.85 2aoh s MET 36 Cb -0.79 0.49 -0.07 0.00 -1.53 0.00 0.00 34.83 32.92 2aoh s MET 36 CO 0.42 -0.49 0.62 -1.12 -2.03 0.00 0.00 175.02 172.42 2aoh s SER 37 N -2.65 7.01 0.08 -1.18 0.01 -1.26 -5.04 113.70 110.66 2aoh s SER 37 Ca 0.04 1.27 0.05 0.00 1.31 0.00 0.00 55.95 58.62 2aoh s SER 37 Cb -0.01 -2.36 -0.03 0.00 0.21 0.00 0.00 66.02 63.82 2aoh s SER 37 CO -0.09 0.14 -0.13 -0.76 0.41 0.00 0.00 173.24 172.81 2aoh s LEU 38 N -1.64 2.31 0.51 2.44 1.43 -1.26 -4.88 118.68 117.58 2aoh s LEU 38 Ca 0.36 -0.66 -0.17 0.00 -1.03 0.00 0.00 54.13 52.64 2aoh s LEU 38 Cb -0.17 -0.46 -0.08 0.00 0.03 0.00 0.00 46.19 45.51 2aoh s LEU 38 CO 0.20 -0.12 0.98 -2.16 0.23 0.00 0.00 176.35 175.48 2aoh s PRO 39 N -1.98 3.97 0.25 1.29 0.04 -1.26 -4.96 135.00 132.35 2aoh s PRO 39 Ca -0.00 0.96 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2aoh s PRO 39 Cb -0.08 -2.14 0.00 0.00 0.04 0.00 0.00 34.50 32.31 2aoh s PRO 39 CO 0.02 -0.24 0.00 0.41 0.04 0.00 0.00 177.00 177.22 2aoh n GLY 40 N -1.49 -1.78 3.91 0.56 0.00 -1.26 -4.97 105.19 100.16 2aoh n GLY 40 Ca 0.07 -1.92 -0.28 0.00 0.00 0.00 0.00 46.02 43.89 2aoh n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aoh s ARG 41 N 0.00 3.19 0.14 1.61 3.00 -1.26 -5.08 118.95 120.55 2aoh s ARG 41 Ca 0.00 0.19 -0.08 0.00 0.00 0.00 0.00 55.73 55.84 2aoh s ARG 41 Cb 0.00 -2.26 -0.01 0.00 0.00 0.00 0.00 34.95 32.68 2aoh s ARG 41 CO 0.00 -0.56 0.24 1.67 0.00 0.00 0.00 175.30 176.65 2aoh s TRP 42 N -2.97 0.37 0.06 -0.53 1.48 -1.26 -4.39 118.94 111.70 2aoh s TRP 42 Ca 0.52 -0.75 0.02 0.00 -1.06 0.00 0.00 56.10 54.83 2aoh s TRP 42 Cb -0.11 -0.09 -0.03 0.00 -1.16 0.00 0.00 33.47 32.08 2aoh s TRP 42 CO 0.47 -0.66 -0.07 -1.59 -4.06 0.00 0.00 176.95 171.04 2aoh s LYS 43 N -3.95 0.64 0.57 3.25 -2.85 -0.68 -4.92 119.74 111.81 2aoh s LYS 43 Ca 0.14 -0.99 -0.17 0.00 -1.00 0.00 0.00 55.97 53.96 2aoh s LYS 43 Cb 0.04 -0.23 -0.05 0.00 -2.06 0.00 0.00 37.83 35.53 2aoh s LYS 43 CO -0.03 0.02 1.05 -1.25 0.10 0.00 0.00 175.35 175.23 2aoh s PRO 44 N -2.52 3.47 -0.09 1.78 0.04 -1.26 -0.43 135.00 135.99 2aoh s PRO 44 Ca -0.01 1.21 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 2aoh s PRO 44 Cb -0.04 -2.05 0.04 0.00 0.04 0.00 0.00 34.50 32.49 2aoh s PRO 44 CO -0.02 -0.69 0.41 0.21 0.04 0.00 0.00 177.00 176.95 2aoh s LYS 45 N -3.92 0.64 -0.14 4.56 2.20 -0.59 -4.84 119.74 117.65 2aoh s LYS 45 Ca 0.64 0.24 -0.03 0.00 -0.36 0.00 0.00 55.97 56.45 2aoh s LYS 45 Cb -0.15 0.30 -0.03 0.00 -1.51 0.00 0.00 37.83 36.43 2aoh s LYS 45 CO 0.33 -0.14 -0.03 -1.64 -0.36 0.00 0.00 175.35 173.51 2aoh s MET 46 N -0.58 3.52 0.12 4.03 -1.94 -1.26 -0.31 119.30 122.87 2aoh s MET 46 Ca -0.07 -0.50 0.08 0.00 -1.71 0.00 0.00 55.69 53.49 2aoh s MET 46 Cb -0.04 -2.88 -0.04 0.00 2.01 0.00 0.00 34.83 33.89 2aoh s MET 46 CO 0.03 0.34 -0.20 0.96 -0.01 0.00 0.00 175.02 176.14 2aoh s ILE 47 N 0.10 1.69 0.27 2.53 -4.36 -0.44 -4.97 121.20 116.03 2aoh s ILE 47 Ca -0.00 -1.63 0.08 0.00 -0.26 0.00 0.00 60.65 58.83 2aoh s ILE 47 Cb -0.13 -1.60 -0.04 0.00 1.25 0.00 0.00 42.46 41.94 2aoh s ILE 47 CO 0.03 -0.15 0.16 -0.83 0.24 0.00 0.00 174.94 174.39 2aoh s GLY 48 N -2.11 1.51 0.00 6.27 0.00 -1.26 -0.91 107.32 110.83 2aoh s GLY 48 Ca 0.08 -1.50 0.00 0.00 0.00 0.00 0.00 44.72 43.30 2aoh s GLY 48 CO 0.05 -1.53 0.00 0.61 0.00 0.00 0.00 173.10 172.22 2aoh n GLY 49 N -1.14 2.22 3.76 0.20 0.00 0.23 -4.98 105.19 105.49 2aoh n GLY 49 Ca -0.07 -1.07 -0.38 0.00 0.00 0.00 0.00 46.02 44.50 2aoh n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2aoh s ILE 50 N -2.90 2.54 0.00 -0.61 -1.09 -1.26 -2.23 121.20 115.65 2aoh s ILE 50 Ca 0.00 0.43 0.00 0.00 -2.23 0.00 0.00 60.65 58.85 2aoh s ILE 50 Cb 0.00 -3.23 0.00 0.00 -1.58 0.00 0.00 42.46 37.65 2aoh s ILE 50 CO 0.00 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.34 2aoh n GLY 51 N 0.62 3.08 0.00 6.18 0.00 -1.26 -4.93 105.19 108.88 2aoh n GLY 51 Ca 0.07 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2aoh n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2aoh n GLY 52 N 0.00 0.34 3.61 -0.02 0.00 -0.95 -5.07 105.19 103.10 2aoh n GLY 52 Ca 0.00 -2.10 -0.28 0.00 0.00 0.00 0.00 46.02 43.64 2aoh n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2aoh s PHE 53 N -0.14 2.77 0.11 1.61 0.40 -1.26 -0.60 117.98 120.88 2aoh s PHE 53 Ca 0.00 -0.15 0.04 0.00 -0.60 0.00 0.00 56.93 56.22 2aoh s PHE 53 Cb 0.00 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 2aoh s PHE 53 CO 0.00 0.48 -0.11 0.96 0.70 0.00 0.00 175.22 177.25 2aoh s ILE 54 N -1.49 1.08 -0.13 0.64 -4.36 -0.08 -4.97 121.20 111.89 2aoh s ILE 54 Ca 0.24 -1.72 -0.14 0.00 -0.26 0.00 0.00 60.65 58.77 2aoh s ILE 54 Cb -0.10 -1.47 -0.05 0.00 1.25 0.00 0.00 42.46 42.09 2aoh s ILE 54 CO 0.16 -0.54 0.33 -0.75 0.24 0.00 0.00 174.94 174.38 2aoh s LYS 55 N -2.88 4.19 0.28 0.37 2.20 -1.26 -1.32 119.74 121.31 2aoh s LYS 55 Ca 0.08 0.19 0.03 0.00 -0.36 0.00 0.00 55.97 55.91 2aoh s LYS 55 Cb -0.03 -3.39 -0.06 0.00 -1.51 0.00 0.00 37.83 32.85 2aoh s LYS 55 CO 0.01 0.31 0.05 0.14 -0.36 0.00 0.00 175.35 175.49 2aoh s VAL 56 N 0.23 0.98 -0.21 4.02 -7.23 0.58 -4.47 120.40 114.30 2aoh s VAL 56 Ca 0.19 -2.01 -0.09 0.00 -1.81 0.00 0.00 61.98 58.26 2aoh s VAL 56 Cb -0.14 -2.61 -0.04 0.00 0.56 0.00 0.00 36.38 34.15 2aoh s VAL 56 CO 0.06 -0.10 0.10 -0.13 -0.31 0.00 0.00 175.10 174.72 2aoh s ARG 57 N -3.92 4.00 -0.30 4.82 0.52 0.21 -1.53 118.95 122.75 2aoh s ARG 57 Ca 0.34 -0.32 -0.13 0.00 -0.52 0.00 0.00 55.73 55.10 2aoh s ARG 57 Cb 0.07 -3.34 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2aoh s ARG 57 CO 0.13 0.18 0.29 -1.14 0.02 0.00 0.00 175.30 174.78 2aoh s GLN 58 N 0.67 3.82 -0.16 3.54 0.74 0.43 -0.95 119.66 127.74 2aoh s GLN 58 Ca 0.05 -0.27 -0.03 0.00 0.05 0.00 0.00 55.36 55.16 2aoh s GLN 58 Cb -0.13 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.25 2aoh s GLN 58 CO 0.01 -0.33 -0.05 0.71 -0.55 0.00 0.00 175.29 175.09 2aoh s TYR 59 N 1.92 2.99 0.22 1.67 1.51 -0.46 -1.69 117.35 123.51 2aoh s TYR 59 Ca 0.11 -0.43 0.05 0.00 -1.01 0.00 0.00 57.07 55.78 2aoh s TYR 59 Cb -0.16 -1.97 -0.03 0.00 -0.11 0.00 0.00 41.96 39.69 2aoh s TYR 59 CO 0.11 -0.13 0.34 -0.51 -1.11 0.00 0.00 175.55 174.24 2aoh s ASP 60 N 0.53 6.29 -1.16 2.29 1.01 -1.26 -0.66 116.67 123.71 2aoh s ASP 60 Ca -0.04 0.08 -0.16 0.00 0.71 0.00 0.00 52.55 53.14 2aoh s ASP 60 Cb -0.15 -1.85 -0.02 0.00 1.01 0.00 0.00 42.92 41.92 2aoh s ASP 60 CO 0.03 -0.04 0.78 0.00 0.21 0.00 0.00 175.17 176.15 2aoh n GLN 61 N -1.23 -1.78 -4.19 8.23 6.02 -1.18 -4.92 117.38 118.33 2aoh n GLN 61 Ca -0.09 0.52 -0.34 0.00 -0.01 0.00 0.00 57.00 57.08 2aoh n GLN 61 Cb 0.56 -4.46 -0.11 0.00 1.02 0.00 0.00 30.24 27.26 2aoh n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2aoh s ILE 62 N -3.50 4.32 0.10 5.09 -1.09 0.21 -4.84 121.20 121.49 2aoh s ILE 62 Ca 0.41 -0.20 -0.25 0.00 -2.23 0.00 0.00 60.65 58.38 2aoh s ILE 62 Cb -0.13 -2.92 -0.07 0.00 -1.58 0.00 0.00 42.46 37.76 2aoh s ILE 62 CO 0.84 0.47 0.76 -0.63 -1.23 0.00 0.00 174.94 175.15 2aoh s ILE 63 N 0.41 4.57 0.04 2.92 1.01 -1.26 -1.41 121.20 127.48 2aoh s ILE 63 Ca -0.00 1.64 0.01 0.00 0.00 0.00 0.00 60.65 62.29 2aoh s ILE 63 Cb -0.13 -4.11 -0.03 0.00 0.01 0.00 0.00 42.46 38.20 2aoh s ILE 63 CO 0.02 0.45 -0.05 -0.51 0.00 0.00 0.00 174.94 174.84 2aoh s ILE 64 N -0.60 0.33 -0.16 2.92 2.07 -0.49 -4.53 121.20 120.75 2aoh s ILE 64 Ca 0.37 -1.20 0.00 0.00 -1.41 0.00 0.00 60.65 58.41 2aoh s ILE 64 Cb -0.22 -0.71 0.00 0.00 0.13 0.00 0.00 42.46 41.67 2aoh s ILE 64 CO 0.24 -0.57 -0.16 -0.70 -1.91 0.00 0.00 174.94 171.84 2aoh s GLU 65 N -2.10 3.17 -0.26 3.50 2.12 -0.19 -1.03 118.70 123.91 2aoh s GLU 65 Ca -0.08 -0.76 -0.03 0.00 0.36 0.00 0.00 54.97 54.46 2aoh s GLU 65 Cb -0.06 -2.63 0.02 0.00 0.26 0.00 0.00 34.13 31.72 2aoh s GLU 65 CO -0.02 -0.04 -0.02 0.42 -0.54 0.00 0.00 175.26 175.06 2aoh s ILE 66 N 0.95 3.23 -1.64 -3.70 1.01 0.23 -1.27 121.20 120.01 2aoh s ILE 66 Ca -0.03 -0.89 -0.11 0.00 0.00 0.00 0.00 60.65 59.63 2aoh s ILE 66 Cb -0.15 -2.64 0.10 0.00 0.01 0.00 0.00 42.46 39.79 2aoh s ILE 66 CO -0.03 0.18 0.46 0.00 0.00 0.00 0.00 174.94 175.56 2aoh n ALA 67 N 4.73 -1.61 0.00 9.38 0.00 0.03 -0.22 120.51 132.82 2aoh n ALA 67 Ca -0.16 -0.22 0.00 0.00 0.00 0.00 0.00 53.44 53.06 2aoh n ALA 67 Cb 0.48 -2.13 0.00 0.00 0.00 0.00 0.00 19.45 17.80 2aoh n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aoh n GLY 68 N -1.77 2.35 3.39 0.00 0.00 -1.26 -5.04 105.19 102.87 2aoh n GLY 68 Ca -0.11 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.54 2aoh n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2aoh s HIS 69 N -2.62 3.11 0.34 1.61 4.02 0.69 -5.07 115.29 117.37 2aoh s HIS 69 Ca 0.00 -0.74 -0.27 0.00 1.02 0.00 0.00 55.06 55.07 2aoh s HIS 69 Cb 0.00 -2.25 -0.09 0.00 -1.02 0.00 0.00 32.58 29.22 2aoh s HIS 69 CO 0.00 -0.49 1.09 0.21 1.02 0.00 0.00 174.74 176.57 2aoh s LYS 70 N 1.55 4.38 0.29 1.40 2.36 -1.26 -0.60 119.74 127.86 2aoh s LYS 70 Ca 0.04 1.69 -0.13 0.00 -2.55 0.00 0.00 55.97 55.02 2aoh s LYS 70 Cb -0.16 -2.87 0.01 0.00 -1.05 0.00 0.00 37.83 33.76 2aoh s LYS 70 CO 0.03 0.01 0.58 0.00 1.55 0.00 0.00 175.35 177.52 2aoh s ALA 71 N -1.39 -0.37 -0.00 3.13 0.00 -0.19 -4.82 121.76 118.11 2aoh s ALA 71 Ca 0.51 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.65 2aoh s ALA 71 Cb -0.28 0.97 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 2aoh s ALA 71 CO 0.35 -0.91 -0.05 -1.50 0.00 0.00 0.00 175.76 173.66 2aoh s ILE 72 N -3.58 0.39 -0.13 0.00 2.07 -1.26 -1.39 121.20 117.29 2aoh s ILE 72 Ca 0.20 -0.20 0.00 0.00 -1.41 0.00 0.00 60.65 59.24 2aoh s ILE 72 Cb -0.02 -0.33 0.00 0.00 0.13 0.00 0.00 42.46 42.23 2aoh s ILE 72 CO 0.11 0.11 0.00 0.61 -1.91 0.00 0.00 174.94 173.86 2aoh n GLY 73 N 2.99 -1.24 3.76 1.50 0.00 -0.50 -4.91 105.19 106.79 2aoh n GLY 73 Ca -0.13 -0.81 -0.39 0.00 0.00 0.00 0.00 46.02 44.68 2aoh n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aoh s THR 74 N -3.00 4.12 -0.06 2.61 2.01 -1.26 -0.61 115.64 119.44 2aoh s THR 74 Ca 0.00 2.01 0.03 0.00 0.31 0.00 0.00 61.69 64.04 2aoh s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2aoh s THR 74 CO 0.00 0.43 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.53 2aoh s VAL 75 N -1.26 1.28 -0.16 3.82 1.01 0.16 -4.49 120.40 120.76 2aoh s VAL 75 Ca 0.42 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.74 2aoh s VAL 75 Cb -0.24 -1.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.96 2aoh s VAL 75 CO 0.30 0.38 0.11 -0.76 0.00 0.00 0.00 175.10 175.13 2aoh s LEU 76 N 0.43 4.11 -0.11 3.92 1.43 0.02 -1.35 118.68 127.14 2aoh s LEU 76 Ca -0.11 0.26 0.03 0.00 -1.03 0.00 0.00 54.13 53.28 2aoh s LEU 76 Cb -0.14 -2.03 0.00 0.00 0.03 0.00 0.00 46.19 44.05 2aoh s LEU 76 CO 0.04 0.27 -0.22 -0.69 0.23 0.00 0.00 176.35 175.97 2aoh s VAL 77 N -0.17 2.14 -1.52 -1.59 1.01 -0.13 -0.62 120.40 119.52 2aoh s VAL 77 Ca 0.09 -0.98 0.00 0.00 0.00 0.00 0.00 61.98 61.10 2aoh s VAL 77 Cb -0.12 -1.83 0.00 0.00 0.00 0.00 0.00 36.38 34.43 2aoh s VAL 77 CO 0.01 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.27 2aoh n GLY 78 N 3.68 -1.30 2.28 4.51 0.00 -0.56 -0.62 105.19 113.18 2aoh n GLY 78 Ca -0.19 -0.94 -0.35 0.00 0.00 0.00 0.00 46.02 44.54 2aoh n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2aoh n PRO 79 N -0.01 3.50 -2.69 1.61 -0.04 -1.26 -3.79 135.00 132.32 2aoh n PRO 79 Ca 0.00 -2.11 -0.40 0.00 -0.04 0.00 0.00 63.50 60.95 2aoh n PRO 79 Cb 0.00 -2.67 -0.06 0.00 -0.04 0.00 0.00 33.50 30.74 2aoh n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2aoh s THR 80 N 1.74 3.96 -0.76 0.52 -1.32 -1.26 -4.97 115.64 113.55 2aoh s THR 80 Ca 0.68 1.95 0.21 0.00 -1.21 0.00 0.00 61.69 63.33 2aoh s THR 80 Cb 0.20 -4.24 0.21 0.00 -1.51 0.00 0.00 72.50 67.16 2aoh s THR 80 CO -0.06 0.46 1.66 -0.81 -2.21 0.00 0.00 174.62 173.66 2aoh n PRO 81 N 1.49 0.11 -3.79 7.08 -0.04 -1.26 -4.71 135.00 133.88 2aoh n PRO 81 Ca -0.02 0.29 -0.13 0.00 -0.04 0.00 0.00 63.50 63.60 2aoh n PRO 81 Cb 0.47 -1.69 -0.13 0.00 -0.04 0.00 0.00 33.50 32.11 2aoh n PRO 81 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2aoh s ALA 82 N -3.14 -0.39 0.17 0.55 0.00 -1.26 -5.13 121.76 112.56 2aoh s ALA 82 Ca 0.07 0.59 -0.32 0.00 0.00 0.00 0.00 51.96 52.30 2aoh s ALA 82 Cb 0.11 -0.37 -0.10 0.00 0.00 0.00 0.00 23.12 22.76 2aoh s ALA 82 CO 0.39 -0.11 1.59 -0.80 0.00 0.00 0.00 175.76 176.83 2aoh s ASN 83 N 0.53 6.55 0.00 0.00 0.01 -1.26 -4.79 114.94 115.98 2aoh s ASN 83 Ca -0.04 2.65 0.03 0.00 -0.71 0.00 0.00 52.86 54.80 2aoh s ASN 83 Cb -0.05 -2.59 -0.01 0.00 0.41 0.00 0.00 41.25 39.00 2aoh s ASN 83 CO -0.03 -0.85 -0.10 0.27 -1.51 0.00 0.00 177.10 174.88 2aoh s ILE 84 N 1.17 0.80 -0.39 0.60 -4.36 0.32 -0.89 121.20 118.45 2aoh s ILE 84 Ca 0.71 -0.55 -0.15 0.00 -0.26 0.00 0.00 60.65 60.41 2aoh s ILE 84 Cb -0.45 -0.69 0.01 0.00 1.25 0.00 0.00 42.46 42.58 2aoh s ILE 84 CO 0.31 0.14 0.30 -0.63 0.24 0.00 0.00 174.94 175.31 2aoh s ILE 85 N -0.40 5.25 0.10 8.37 -1.09 -0.09 -1.57 121.20 131.76 2aoh s ILE 85 Ca 0.03 -0.52 0.01 0.00 -2.23 0.00 0.00 60.65 57.94 2aoh s ILE 85 Cb -0.05 -3.89 0.02 0.00 -1.58 0.00 0.00 42.46 36.96 2aoh s ILE 85 CO -0.00 -0.25 0.13 0.61 -1.23 0.00 0.00 174.94 174.20 2aoh n GLY 86 N 5.14 1.69 0.22 6.18 0.00 -1.15 -0.81 105.19 116.46 2aoh n GLY 86 Ca -0.11 -2.11 0.07 0.00 0.00 0.00 0.00 46.02 43.87 2aoh n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2aoh h ARG 87 N 0.00 0.00 0.00 1.61 3.08 -0.79 -0.98 114.38 117.30 2aoh h ARG 87 Ca -0.05 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.00 2aoh h ARG 87 Cb 0.20 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.25 2aoh h ARG 87 CO 0.06 0.22 -0.01 -2.95 -1.07 0.00 0.00 179.97 176.22 2aoh h ASN 88 N 0.00 0.00 0.00 7.04 -1.07 -1.76 -1.87 115.58 117.91 2aoh h ASN 88 Ca -0.00 0.00 -0.14 0.00 0.07 0.00 0.00 56.30 56.22 2aoh h ASN 88 Cb 0.43 0.00 -0.03 0.00 -2.07 0.00 0.00 38.32 36.66 2aoh h ASN 88 CO 0.03 0.01 -1.74 0.18 0.07 0.00 0.00 177.43 175.98 2aoh n LEU 89 N -3.85 0.00 -0.13 6.14 4.77 -0.75 -4.47 117.00 118.70 2aoh n LEU 89 Ca -0.03 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 55.97 2aoh n LEU 89 Cb 0.09 0.19 0.31 0.00 -2.33 0.00 0.00 43.42 41.69 2aoh n LEU 89 CO 0.28 0.19 1.21 -0.07 -1.33 0.00 0.00 177.39 177.67 2aoh h LEU 90 N 0.00 0.71 -1.27 2.23 3.38 -0.98 -1.62 115.31 117.77 2aoh h LEU 90 Ca -0.21 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.74 2aoh h LEU 90 Cb 1.35 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.89 2aoh h LEU 90 CO 0.01 0.52 0.42 0.71 0.09 0.00 0.00 178.44 180.18 2aoh h THR 91 N 0.84 1.19 0.00 0.22 1.35 -1.57 -1.70 112.91 113.24 2aoh h THR 91 Ca 0.23 -0.40 -0.06 0.00 -0.55 0.00 0.00 66.41 65.63 2aoh h THR 91 Cb -0.10 0.22 -0.01 0.00 -1.73 0.00 0.00 68.15 66.54 2aoh h THR 91 CO -0.05 0.19 -0.30 1.56 -0.25 0.00 0.00 175.52 176.68 2aoh h GLN 92 N 0.93 0.00 -0.41 4.72 1.08 -1.52 -1.42 115.11 118.49 2aoh h GLN 92 Ca 0.25 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.45 2aoh h GLN 92 Cb -0.05 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.38 2aoh h GLN 92 CO -0.05 0.30 0.00 0.44 -0.95 0.00 0.00 178.83 178.57 2aoh n ILE 93 N -3.49 0.54 -1.20 2.54 -5.35 -1.11 -4.94 119.36 106.35 2aoh n ILE 93 Ca -0.00 -0.63 -0.01 0.00 -0.27 0.00 0.00 62.75 61.83 2aoh n ILE 93 Cb 0.46 0.53 -0.00 0.00 -1.74 0.00 0.00 39.64 38.88 2aoh n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2aoh n GLY 94 N 1.34 0.43 3.75 3.28 0.00 -0.53 -5.01 105.19 108.45 2aoh n GLY 94 Ca 0.18 -1.02 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 2aoh n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2aoh s ALA 95 N -2.04 3.42 0.07 4.61 0.00 -0.66 -5.04 121.76 122.13 2aoh s ALA 95 Ca 0.00 0.95 0.02 0.00 0.00 0.00 0.00 51.96 52.93 2aoh s ALA 95 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.72 2aoh s ALA 95 CO 0.00 -0.26 -0.07 0.95 0.00 0.00 0.00 175.76 176.37 2aoh s THR 96 N -0.86 0.63 -0.13 0.00 -4.23 -1.26 -4.72 115.64 105.07 2aoh s THR 96 Ca 0.47 -1.46 -0.15 0.00 -1.18 0.00 0.00 61.69 59.37 2aoh s THR 96 Cb -0.33 -1.10 -0.05 0.00 1.34 0.00 0.00 72.50 72.37 2aoh s THR 96 CO 0.41 -0.59 0.34 -0.76 -0.54 0.00 0.00 174.62 173.48 2aoh s LEU 97 N -2.23 4.28 -0.04 4.79 1.43 -1.26 -5.09 118.68 120.57 2aoh s LEU 97 Ca -0.00 0.63 0.02 0.00 -1.03 0.00 0.00 54.13 53.75 2aoh s LEU 97 Cb -0.03 -2.46 0.01 0.00 0.03 0.00 0.00 46.19 43.74 2aoh s LEU 97 CO -0.02 0.12 -0.10 0.20 0.23 0.00 0.00 176.35 176.78 2aoh s ASN 98 N 0.25 1.40 0.00 2.29 0.01 -1.26 -5.30 114.94 112.34 2aoh s ASN 98 Ca 0.19 -0.22 0.00 0.00 -0.71 0.00 0.00 52.86 52.12 2aoh s ASN 98 Cb -0.14 -0.48 0.00 0.00 0.41 0.00 0.00 41.25 41.05 2aoh s ASN 98 CO 0.06 0.05 0.00 2.22 -1.51 0.00 0.00 177.10 177.93