#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bb9 s GLN 2 N 0.00 2.95 -0.24 0.54 0.74 -1.26 -5.08 119.66 117.31 2bb9 s GLN 2 Ca 0.00 -0.93 -0.10 0.00 0.05 0.00 0.00 55.36 54.38 2bb9 s GLN 2 Cb 0.00 -3.24 -0.05 0.00 1.10 0.00 0.00 33.01 30.82 2bb9 s GLN 2 CO 0.00 -0.45 0.16 0.42 -0.55 0.00 0.00 175.29 174.87 2bb9 s ILE 3 N 1.43 5.30 0.62 -2.34 1.01 -1.26 -5.08 121.20 120.88 2bb9 s ILE 3 Ca 0.01 0.16 -0.15 0.00 0.00 0.00 0.00 60.65 60.67 2bb9 s ILE 3 Cb -0.17 -3.48 -0.02 0.00 0.01 0.00 0.00 42.46 38.80 2bb9 s ILE 3 CO 0.00 0.33 1.07 0.28 0.00 0.00 0.00 174.94 176.62 2bb9 s THR 4 N 1.17 3.70 -0.62 2.92 -1.32 -1.26 -4.98 115.64 115.25 2bb9 s THR 4 Ca 0.07 0.77 0.14 0.00 -1.21 0.00 0.00 61.69 61.46 2bb9 s THR 4 Cb -0.14 -3.31 0.44 0.00 -1.51 0.00 0.00 72.50 67.98 2bb9 s THR 4 CO 0.05 -0.51 1.36 0.18 -2.21 0.00 0.00 174.62 173.50 2bb9 n LEU 5 N -2.25 3.51 0.20 9.08 4.77 -1.26 -4.45 117.00 126.60 2bb9 n LEU 5 Ca 0.09 -2.48 0.04 0.00 -0.03 0.00 0.00 56.01 53.63 2bb9 n LEU 5 Cb 0.53 -0.40 0.42 0.00 -2.33 0.00 0.00 43.42 41.64 2bb9 n LEU 5 CO 0.48 0.71 0.80 -0.50 -1.33 0.00 0.00 177.39 177.55 2bb9 h TRP 6 N 2.12 0.00 -2.52 -1.77 4.06 -2.05 -3.43 115.95 112.35 2bb9 h TRP 6 Ca 0.00 0.00 -0.51 0.00 2.06 0.00 0.00 58.89 60.44 2bb9 h TRP 6 Cb 1.11 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.13 2bb9 h TRP 6 CO 0.40 0.29 -0.62 -0.65 -3.56 0.00 0.00 178.44 174.30 2bb9 s GLN 7 N -4.36 1.71 0.31 0.49 1.11 -1.26 -5.11 119.66 112.55 2bb9 s GLN 7 Ca -0.03 -1.94 -0.29 0.00 0.01 0.00 0.00 55.36 53.11 2bb9 s GLN 7 Cb 0.15 -1.10 -0.11 0.00 -1.01 0.00 0.00 33.01 30.93 2bb9 s GLN 7 CO 0.71 -0.11 1.51 1.03 0.01 0.00 0.00 175.29 178.44 2bb9 s ARG 8 N -3.82 4.16 -1.24 2.91 0.52 -1.26 -4.86 118.95 115.36 2bb9 s ARG 8 Ca 0.35 2.50 -0.19 0.00 -0.52 0.00 0.00 55.73 57.87 2bb9 s ARG 8 Cb 0.08 -3.03 0.06 0.00 0.52 0.00 0.00 34.95 32.58 2bb9 s ARG 8 CO 0.15 -0.53 1.71 -1.25 0.02 0.00 0.00 175.30 175.40 2bb9 s PRO 9 N -1.04 3.82 -0.07 3.54 0.04 -1.26 -4.95 135.00 135.07 2bb9 s PRO 9 Ca 0.58 -1.78 -0.11 0.00 0.04 0.00 0.00 61.00 59.73 2bb9 s PRO 9 Cb -0.46 -5.49 -0.05 0.00 0.04 0.00 0.00 34.50 28.55 2bb9 s PRO 9 CO 0.52 -2.37 0.28 -0.51 0.04 0.00 0.00 177.00 174.96 2bb9 s LEU 10 N 4.83 4.41 0.13 -3.56 1.43 -1.26 -1.36 118.68 123.30 2bb9 s LEU 10 Ca 0.54 0.69 -0.02 0.00 -1.03 0.00 0.00 54.13 54.31 2bb9 s LEU 10 Cb 0.03 -2.33 -0.04 0.00 0.03 0.00 0.00 46.19 43.88 2bb9 s LEU 10 CO 0.05 0.33 0.08 0.68 0.23 0.00 0.00 176.35 177.72 2bb9 s VAL 11 N -0.85 0.10 -0.04 -1.59 -7.23 -0.13 -4.96 120.40 105.71 2bb9 s VAL 11 Ca 0.19 -1.85 -0.16 0.00 -1.81 0.00 0.00 61.98 58.35 2bb9 s VAL 11 Cb -0.14 -2.00 -0.05 0.00 0.56 0.00 0.00 36.38 34.74 2bb9 s VAL 11 CO 0.08 -0.47 0.42 -0.89 -0.31 0.00 0.00 175.10 173.93 2bb9 s THR 12 N -4.04 5.07 0.20 5.32 2.01 -1.26 -0.76 115.64 122.18 2bb9 s THR 12 Ca 0.23 0.86 0.08 0.00 0.31 0.00 0.00 61.69 63.17 2bb9 s THR 12 Cb 0.07 -3.74 -0.05 0.00 0.01 0.00 0.00 72.50 68.80 2bb9 s THR 12 CO 0.01 0.50 -0.16 0.27 -0.69 0.00 0.00 174.62 174.56 2bb9 s ILE 13 N -0.56 1.82 -0.13 1.82 -4.36 0.41 -2.41 121.20 117.80 2bb9 s ILE 13 Ca 0.24 -2.14 0.01 0.00 -0.26 0.00 0.00 60.65 58.50 2bb9 s ILE 13 Cb -0.16 -2.00 0.02 0.00 1.25 0.00 0.00 42.46 41.57 2bb9 s ILE 13 CO 0.12 -0.50 -0.13 -0.75 0.24 0.00 0.00 174.94 173.93 2bb9 s LYS 14 N -3.37 2.10 -0.16 0.37 2.20 -0.08 -1.33 119.74 119.47 2bb9 s LYS 14 Ca 0.21 -0.49 -0.10 0.00 -0.36 0.00 0.00 55.97 55.23 2bb9 s LYS 14 Cb -0.03 -1.93 0.05 0.00 -1.51 0.00 0.00 37.83 34.42 2bb9 s LYS 14 CO 0.07 -0.20 0.40 -1.50 -0.36 0.00 0.00 175.35 173.76 2bb9 s ILE 15 N 1.40 -0.02 -1.59 5.43 2.07 -0.63 -1.54 121.20 126.33 2bb9 s ILE 15 Ca 0.02 0.08 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2bb9 s ILE 15 Cb -0.13 -0.58 0.00 0.00 0.13 0.00 0.00 42.46 41.87 2bb9 s ILE 15 CO -0.08 0.03 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2bb9 n GLY 16 N 3.95 0.09 2.00 1.50 0.00 -1.26 -2.29 105.19 109.17 2bb9 n GLY 16 Ca -0.21 -0.15 -0.00 0.00 0.00 0.00 0.00 46.02 45.66 2bb9 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bb9 n GLY 17 N -0.97 0.43 2.97 -0.02 0.00 -1.26 -5.04 105.19 101.29 2bb9 n GLY 17 Ca -0.20 -0.64 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2bb9 n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bb9 s GLN 18 N -1.17 0.27 0.01 1.61 -2.07 -0.97 -5.15 119.66 112.19 2bb9 s GLN 18 Ca 0.00 -0.53 -0.17 0.00 -1.82 0.00 0.00 55.36 52.85 2bb9 s GLN 18 Cb 0.00 0.09 -0.06 0.00 -1.09 0.00 0.00 33.01 31.96 2bb9 s GLN 18 CO 0.00 -0.04 0.47 -0.51 -1.32 0.00 0.00 175.29 173.89 2bb9 s LEU 19 N -1.26 4.46 0.12 2.60 1.43 -1.26 -1.60 118.68 123.17 2bb9 s LEU 19 Ca -0.14 1.04 -0.06 0.00 -1.03 0.00 0.00 54.13 53.94 2bb9 s LEU 19 Cb -0.09 -2.70 -0.02 0.00 0.03 0.00 0.00 46.19 43.41 2bb9 s LEU 19 CO -0.01 0.26 0.16 -0.54 0.23 0.00 0.00 176.35 176.46 2bb9 s LYS 20 N -0.85 0.94 -0.15 1.70 1.02 -0.44 -4.98 119.74 116.98 2bb9 s LYS 20 Ca 0.26 -1.17 -0.07 0.00 0.02 0.00 0.00 55.97 55.00 2bb9 s LYS 20 Cb -0.17 0.31 -0.04 0.00 -0.52 0.00 0.00 37.83 37.41 2bb9 s LYS 20 CO 0.15 -0.30 0.11 -2.00 -0.92 0.00 0.00 175.35 172.39 2bb9 s GLU 21 N -3.95 3.70 0.04 1.68 2.12 -1.26 -0.44 118.70 120.59 2bb9 s GLU 21 Ca 0.14 -0.22 -0.00 0.00 0.36 0.00 0.00 54.97 55.25 2bb9 s GLU 21 Cb 0.05 -3.22 -0.03 0.00 0.26 0.00 0.00 34.13 31.19 2bb9 s GLU 21 CO -0.04 0.55 -0.03 0.00 -0.54 0.00 0.00 175.26 175.20 2bb9 s ALA 22 N -0.39 0.36 -0.21 6.30 0.00 0.06 -4.51 121.76 123.37 2bb9 s ALA 22 Ca 0.11 -0.95 -0.12 0.00 0.00 0.00 0.00 51.96 51.00 2bb9 s ALA 22 Cb -0.12 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.17 2bb9 s ALA 22 CO 0.01 -0.27 0.21 -1.17 0.00 0.00 0.00 175.76 174.55 2bb9 s LEU 23 N -2.30 4.17 -0.41 0.00 2.96 0.19 -0.95 118.68 122.34 2bb9 s LEU 23 Ca -0.03 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 2bb9 s LEU 23 Cb 0.00 -2.22 0.02 0.00 0.50 0.00 0.00 46.19 44.50 2bb9 s LEU 23 CO -0.06 0.08 1.12 -0.76 -1.32 0.00 0.00 176.35 175.41 2bb9 s LEU 24 N 0.81 3.76 -0.32 -0.68 1.43 -0.46 -0.60 118.68 122.61 2bb9 s LEU 24 Ca 0.11 0.72 0.04 0.00 -1.03 0.00 0.00 54.13 53.97 2bb9 s LEU 24 Cb -0.13 -3.55 0.09 0.00 0.03 0.00 0.00 46.19 42.64 2bb9 s LEU 24 CO 0.03 -1.11 0.02 -0.62 0.23 0.00 0.00 176.35 174.91 2bb9 s ASP 25 N 2.17 4.71 0.58 2.29 3.68 -0.29 -4.78 116.67 125.04 2bb9 s ASP 25 Ca 0.47 -2.00 0.36 0.00 2.13 0.00 0.00 52.55 53.52 2bb9 s ASP 25 Cb -0.09 -1.62 1.65 0.00 -1.45 0.00 0.00 42.92 41.41 2bb9 s ASP 25 CO 0.25 -0.34 2.09 0.71 0.13 0.00 0.00 175.17 178.01 2bb9 h THR 26 N 6.64 0.02 -0.12 1.71 1.35 -1.94 -2.61 112.91 117.95 2bb9 h THR 26 Ca -0.07 -0.38 0.00 0.00 -0.55 0.00 0.00 66.41 65.40 2bb9 h THR 26 Cb 1.02 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.82 2bb9 h THR 26 CO 0.51 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2bb9 n GLY 27 N -0.27 -0.28 3.33 5.82 0.00 -1.26 -4.80 105.19 107.73 2bb9 n GLY 27 Ca -0.00 -0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 2bb9 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bb9 s ALA 28 N -1.85 2.49 0.15 4.61 0.00 -0.98 -5.01 121.76 121.17 2bb9 s ALA 28 Ca 0.23 -0.92 -0.10 0.00 0.00 0.00 0.00 51.96 51.18 2bb9 s ALA 28 Cb 0.12 -1.08 -0.03 0.00 0.00 0.00 0.00 23.12 22.14 2bb9 s ALA 28 CO 0.18 0.28 1.47 -0.44 0.00 0.00 0.00 175.76 177.25 2bb9 h ASP 29 N 6.61 0.95 -1.07 0.00 3.45 -1.87 0.13 116.42 124.61 2bb9 h ASP 29 Ca -0.25 -0.46 -0.59 0.00 0.43 0.00 0.00 57.03 56.16 2bb9 h ASP 29 Cb 1.22 -0.27 -0.08 0.00 -0.56 0.00 0.00 39.33 39.64 2bb9 h ASP 29 CO 0.53 1.25 -0.43 -1.81 -1.57 0.00 0.00 179.24 177.20 2bb9 s ASP 30 N -6.88 4.47 -0.16 6.45 1.01 -1.26 -2.52 116.67 117.78 2bb9 s ASP 30 Ca -0.10 -1.21 -0.03 0.00 0.71 0.00 0.00 52.55 51.92 2bb9 s ASP 30 Cb 0.11 -0.04 -0.02 0.00 1.01 0.00 0.00 42.92 43.97 2bb9 s ASP 30 CO 0.88 -0.77 -0.06 -0.89 0.21 0.00 0.00 175.17 174.54 2bb9 s THR 31 N -2.69 3.61 -0.04 -1.27 2.01 -1.26 -2.83 115.64 113.17 2bb9 s THR 31 Ca 0.33 -0.45 0.01 0.00 0.31 0.00 0.00 61.69 61.89 2bb9 s THR 31 Cb 0.01 -2.58 0.02 0.00 0.01 0.00 0.00 72.50 69.96 2bb9 s THR 31 CO 0.19 0.49 -0.05 0.54 -0.69 0.00 0.00 174.62 175.10 2bb9 s VAL 32 N 0.51 0.55 0.22 3.82 0.11 -0.59 -0.85 120.40 124.17 2bb9 s VAL 32 Ca -0.05 -0.17 0.11 0.00 -2.93 0.00 0.00 61.98 58.95 2bb9 s VAL 32 Cb -0.15 -0.55 -0.05 0.00 -1.53 0.00 0.00 36.38 34.11 2bb9 s VAL 32 CO 0.03 0.21 -0.19 -0.76 -3.33 0.00 0.00 175.10 171.06 2bb9 s LEU 33 N 0.68 2.61 0.87 2.54 1.43 0.25 -0.83 118.68 126.23 2bb9 s LEU 33 Ca -0.09 -0.86 -0.10 0.00 -1.03 0.00 0.00 54.13 52.05 2bb9 s LEU 33 Cb -0.12 -1.25 0.12 0.00 0.03 0.00 0.00 46.19 44.96 2bb9 s LEU 33 CO 0.00 0.09 1.13 -1.61 0.23 0.00 0.00 176.35 176.19 2bb9 s GLU 34 N -3.00 1.36 -0.15 1.70 2.02 -1.26 -1.53 118.70 117.84 2bb9 s GLU 34 Ca 0.25 1.42 -0.42 0.00 0.02 0.00 0.00 54.97 56.24 2bb9 s GLU 34 Cb -0.07 -1.78 -0.19 0.00 0.10 0.00 0.00 34.13 32.19 2bb9 s GLU 34 CO 0.13 -2.35 1.30 0.39 0.02 0.00 0.00 175.26 174.75 2bb9 n GLU 35 N -4.03 0.23 -3.63 1.61 -0.58 -1.21 -4.60 120.64 108.44 2bb9 n GLU 35 Ca 0.11 0.08 -0.07 0.00 -0.42 0.00 0.00 57.16 56.86 2bb9 n GLU 35 Cb 0.52 -1.62 -0.02 0.00 -0.57 0.00 0.00 31.44 29.76 2bb9 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bb9 s MET 36 N 1.18 1.14 -0.01 3.49 0.23 -1.26 -5.04 119.30 119.02 2bb9 s MET 36 Ca 0.95 -0.54 -0.12 0.00 -1.03 0.00 0.00 55.69 54.95 2bb9 s MET 36 Cb -1.28 0.45 -0.05 0.00 -1.53 0.00 0.00 34.83 32.41 2bb9 s MET 36 CO 0.63 -0.51 0.34 0.45 -2.03 0.00 0.00 175.02 173.91 2bb9 s SER 37 N -2.75 6.67 0.03 -1.18 0.15 -1.26 -5.03 113.70 110.33 2bb9 s SER 37 Ca 0.08 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.54 2bb9 s SER 37 Cb -0.02 -2.19 -0.02 0.00 -1.71 0.00 0.00 66.02 62.08 2bb9 s SER 37 CO -0.03 0.31 -0.05 -0.76 1.20 0.00 0.00 173.24 173.90 2bb9 s LEU 38 N -1.29 2.23 0.62 3.45 1.43 -1.26 -4.95 118.68 118.91 2bb9 s LEU 38 Ca 0.24 -0.49 -0.11 0.00 -1.03 0.00 0.00 54.13 52.74 2bb9 s LEU 38 Cb -0.15 -0.05 -0.04 0.00 0.03 0.00 0.00 46.19 45.98 2bb9 s LEU 38 CO 0.13 -0.22 1.03 -2.16 0.23 0.00 0.00 176.35 175.36 2bb9 s PRO 39 N -1.40 3.54 0.11 1.29 0.04 -1.26 -4.96 135.00 132.37 2bb9 s PRO 39 Ca -0.12 0.79 0.00 0.00 0.04 0.00 0.00 61.00 61.72 2bb9 s PRO 39 Cb -0.09 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.38 2bb9 s PRO 39 CO -0.00 -0.62 0.00 0.41 0.04 0.00 0.00 177.00 176.83 2bb9 n GLY 40 N -2.57 -3.02 3.90 0.56 0.00 -1.26 -4.94 105.19 97.85 2bb9 n GLY 40 Ca 0.06 -1.81 -0.29 0.00 0.00 0.00 0.00 46.02 43.98 2bb9 n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bb9 s ARG 41 N -0.77 2.94 0.13 1.61 3.00 -1.26 -5.09 118.95 119.50 2bb9 s ARG 41 Ca 0.00 0.30 -0.10 0.00 0.00 0.00 0.00 55.73 55.93 2bb9 s ARG 41 Cb 0.00 -2.12 0.00 0.00 0.00 0.00 0.00 34.95 32.83 2bb9 s ARG 41 CO 0.00 -0.87 0.27 1.67 0.00 0.00 0.00 175.30 176.37 2bb9 s TRP 42 N -3.20 0.18 0.05 -0.53 1.48 -1.26 -4.44 118.94 111.22 2bb9 s TRP 42 Ca 0.56 -0.57 0.04 0.00 -1.06 0.00 0.00 56.10 55.07 2bb9 s TRP 42 Cb -0.11 0.01 -0.02 0.00 -1.16 0.00 0.00 33.47 32.18 2bb9 s TRP 42 CO 0.49 -0.65 -0.11 0.15 -4.06 0.00 0.00 176.95 172.78 2bb9 s LYS 43 N -3.89 0.67 0.53 3.25 -0.14 -0.89 -4.91 119.74 114.36 2bb9 s LYS 43 Ca 0.09 -0.81 -0.19 0.00 -1.36 0.00 0.00 55.97 53.71 2bb9 s LYS 43 Cb 0.04 -0.56 -0.06 0.00 -1.68 0.00 0.00 37.83 35.56 2bb9 s LYS 43 CO -0.07 0.12 1.07 -2.14 -0.76 0.00 0.00 175.35 173.58 2bb9 s PRO 44 N -1.53 3.53 -0.03 -1.68 0.02 -1.26 -0.28 135.00 133.77 2bb9 s PRO 44 Ca -0.05 1.40 -0.22 0.00 0.02 0.00 0.00 61.00 62.14 2bb9 s PRO 44 Cb -0.09 -2.05 0.05 0.00 0.02 0.00 0.00 34.50 32.42 2bb9 s PRO 44 CO 0.01 -0.66 0.49 0.21 -0.33 0.00 0.00 177.00 176.71 2bb9 s LYS 45 N -3.47 0.86 -0.15 5.54 2.20 -0.46 -4.84 119.74 119.43 2bb9 s LYS 45 Ca 0.68 0.01 -0.01 0.00 -0.36 0.00 0.00 55.97 56.30 2bb9 s LYS 45 Cb -0.18 0.40 -0.01 0.00 -1.51 0.00 0.00 37.83 36.52 2bb9 s LYS 45 CO 0.26 -0.26 -0.13 -1.64 -0.36 0.00 0.00 175.35 173.23 2bb9 s MET 46 N -1.30 3.32 -0.02 4.03 -1.94 -1.26 -0.56 119.30 121.57 2bb9 s MET 46 Ca -0.12 -0.70 0.07 0.00 -1.71 0.00 0.00 55.69 53.23 2bb9 s MET 46 Cb -0.03 -2.68 -0.02 0.00 2.01 0.00 0.00 34.83 34.12 2bb9 s MET 46 CO 0.07 0.09 -0.24 0.96 -0.01 0.00 0.00 175.02 175.88 2bb9 s ILE 47 N 0.67 1.91 0.18 2.53 -4.36 -0.69 -4.96 121.20 116.48 2bb9 s ILE 47 Ca -0.06 -1.03 0.07 0.00 -0.26 0.00 0.00 60.65 59.37 2bb9 s ILE 47 Cb -0.15 -1.59 -0.04 0.00 1.25 0.00 0.00 42.46 41.93 2bb9 s ILE 47 CO 0.02 0.54 -0.14 -0.83 0.24 0.00 0.00 174.94 174.77 2bb9 s GLY 48 N -0.51 1.30 0.00 6.27 0.00 -1.26 -1.02 107.32 112.09 2bb9 s GLY 48 Ca 0.08 -1.57 0.00 0.00 0.00 0.00 0.00 44.72 43.23 2bb9 s GLY 48 CO -0.00 -1.66 0.00 0.61 0.00 0.00 0.00 173.10 172.05 2bb9 n GLY 49 N -0.19 2.31 3.70 0.20 0.00 -0.45 -4.97 105.19 105.80 2bb9 n GLY 49 Ca -0.10 -0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.27 2bb9 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bb9 s ILE 50 N -0.40 2.62 0.00 -0.61 -1.09 -1.26 -1.86 121.20 118.60 2bb9 s ILE 50 Ca 0.00 0.29 0.00 0.00 -2.23 0.00 0.00 60.65 58.71 2bb9 s ILE 50 Cb 0.00 -3.19 0.00 0.00 -1.58 0.00 0.00 42.46 37.69 2bb9 s ILE 50 CO 0.00 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.33 2bb9 n GLY 51 N 3.97 1.71 0.00 6.18 0.00 -1.26 -4.94 105.19 110.85 2bb9 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bb9 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bb9 n GLY 52 N -2.00 0.39 3.76 -0.02 0.00 -0.78 -5.07 105.19 101.47 2bb9 n GLY 52 Ca 0.00 -2.25 -0.25 0.00 0.00 0.00 0.00 46.02 43.52 2bb9 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bb9 s PHE 53 N 0.00 3.03 0.05 1.61 0.08 -1.26 -1.34 117.98 120.15 2bb9 s PHE 53 Ca 0.00 -0.08 0.03 0.00 0.12 0.00 0.00 56.93 57.00 2bb9 s PHE 53 Cb 0.00 -1.43 -0.02 0.00 -0.57 0.00 0.00 43.02 40.99 2bb9 s PHE 53 CO 0.00 0.53 -0.09 0.96 -0.10 0.00 0.00 175.22 176.52 2bb9 s ILE 54 N -1.87 0.66 -0.06 0.64 -4.36 -0.19 -4.97 121.20 111.04 2bb9 s ILE 54 Ca 0.31 -1.09 -0.16 0.00 -0.26 0.00 0.00 60.65 59.44 2bb9 s ILE 54 Cb -0.09 -0.70 -0.05 0.00 1.25 0.00 0.00 42.46 42.87 2bb9 s ILE 54 CO 0.22 -0.32 0.44 -0.75 0.24 0.00 0.00 174.94 174.77 2bb9 s LYS 55 N -1.55 4.16 0.20 0.37 2.20 -1.26 -1.70 119.74 122.16 2bb9 s LYS 55 Ca -0.08 0.42 0.01 0.00 -0.36 0.00 0.00 55.97 55.96 2bb9 s LYS 55 Cb -0.10 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.84 2bb9 s LYS 55 CO 0.01 0.40 0.05 0.14 -0.36 0.00 0.00 175.35 175.59 2bb9 s VAL 56 N -0.16 0.51 -0.18 4.02 -7.23 0.27 -4.45 120.40 113.19 2bb9 s VAL 56 Ca 0.24 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.36 2bb9 s VAL 56 Cb -0.16 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.44 2bb9 s VAL 56 CO 0.11 -0.29 0.05 -0.13 -0.31 0.00 0.00 175.10 174.54 2bb9 s ARG 57 N -3.99 3.92 -0.31 4.82 0.52 0.10 -1.35 118.95 122.66 2bb9 s ARG 57 Ca 0.30 -0.36 -0.13 0.00 -0.52 0.00 0.00 55.73 55.02 2bb9 s ARG 57 Cb 0.07 -3.18 -0.03 0.00 0.52 0.00 0.00 34.95 32.33 2bb9 s ARG 57 CO 0.07 0.29 0.25 -1.14 0.02 0.00 0.00 175.30 174.80 2bb9 s GLN 58 N 0.30 3.73 -0.15 3.54 0.74 0.62 -0.84 119.66 127.61 2bb9 s GLN 58 Ca 0.03 -0.42 -0.02 0.00 0.05 0.00 0.00 55.36 55.00 2bb9 s GLN 58 Cb -0.12 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2bb9 s GLN 58 CO 0.00 -0.34 -0.08 0.71 -0.55 0.00 0.00 175.29 175.03 2bb9 s TYR 59 N 1.81 2.91 0.28 1.67 1.51 -0.48 -2.08 117.35 122.97 2bb9 s TYR 59 Ca 0.08 -0.52 0.06 0.00 -1.01 0.00 0.00 57.07 55.68 2bb9 s TYR 59 Cb -0.17 -1.91 -0.02 0.00 -0.11 0.00 0.00 41.96 39.75 2bb9 s TYR 59 CO 0.11 -0.16 0.36 -0.51 -1.11 0.00 0.00 175.55 174.24 2bb9 s ASP 60 N 0.44 5.99 -1.26 2.29 1.01 -1.26 -0.64 116.67 123.23 2bb9 s ASP 60 Ca -0.07 -0.11 -0.12 0.00 0.71 0.00 0.00 52.55 52.96 2bb9 s ASP 60 Cb -0.15 -1.52 -0.00 0.00 1.01 0.00 0.00 42.92 42.26 2bb9 s ASP 60 CO 0.04 -0.20 0.62 0.00 0.21 0.00 0.00 175.17 175.84 2bb9 n GLN 61 N -1.43 -2.20 -4.00 8.23 6.02 -1.21 -4.91 117.38 117.88 2bb9 n GLN 61 Ca -0.06 0.42 -0.35 0.00 -0.01 0.00 0.00 57.00 57.00 2bb9 n GLN 61 Cb 0.58 -4.24 -0.09 0.00 1.02 0.00 0.00 30.24 27.51 2bb9 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bb9 s ILE 62 N -3.69 4.90 0.11 5.09 -1.09 -0.09 -4.82 121.20 121.61 2bb9 s ILE 62 Ca 0.26 -0.00 -0.28 0.00 -2.23 0.00 0.00 60.65 58.40 2bb9 s ILE 62 Cb -0.10 -3.18 -0.06 0.00 -1.58 0.00 0.00 42.46 37.54 2bb9 s ILE 62 CO 0.88 0.50 0.87 -0.76 -1.23 0.00 0.00 174.94 175.20 2bb9 s LEU 63 N 0.01 4.51 0.02 2.97 1.43 -1.26 -1.61 118.68 124.75 2bb9 s LEU 63 Ca 0.06 1.68 -0.10 0.00 -1.03 0.00 0.00 54.13 54.75 2bb9 s LEU 63 Cb -0.12 -3.44 0.01 0.00 0.03 0.00 0.00 46.19 42.67 2bb9 s LEU 63 CO 0.01 0.02 0.19 -0.63 0.23 0.00 0.00 176.35 176.17 2bb9 s ILE 64 N -0.31 0.09 -0.17 -0.59 1.01 -0.38 -4.55 121.20 116.30 2bb9 s ILE 64 Ca 0.42 -0.77 0.01 0.00 0.00 0.00 0.00 60.65 60.31 2bb9 s ILE 64 Cb -0.23 -0.71 0.02 0.00 0.01 0.00 0.00 42.46 41.56 2bb9 s ILE 64 CO 0.27 -0.42 -0.18 -1.61 0.00 0.00 0.00 174.94 173.01 2bb9 s GLU 65 N -1.99 2.71 -0.26 2.79 2.02 -0.59 -0.97 118.70 122.41 2bb9 s GLU 65 Ca -0.10 -0.73 0.00 0.00 0.02 0.00 0.00 54.97 54.16 2bb9 s GLU 65 Cb -0.04 -2.40 0.04 0.00 0.10 0.00 0.00 34.13 31.84 2bb9 s GLU 65 CO -0.01 -0.23 -0.08 0.42 0.02 0.00 0.00 175.26 175.39 2bb9 s ILE 66 N 1.36 2.54 -1.49 -1.63 1.01 0.26 -0.90 121.20 122.36 2bb9 s ILE 66 Ca 0.05 -1.35 -0.06 0.00 0.00 0.00 0.00 60.65 59.28 2bb9 s ILE 66 Cb -0.13 -2.40 0.02 0.00 0.01 0.00 0.00 42.46 39.97 2bb9 s ILE 66 CO -0.12 0.06 0.61 0.00 0.00 0.00 0.00 174.94 175.50 2bb9 n GLY 68 N -1.47 0.82 3.44 0.00 0.00 -1.26 -5.02 105.19 101.70 2bb9 n GLY 68 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 2bb9 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bb9 s HIS 69 N -3.18 3.11 0.40 1.61 4.02 -0.26 -5.09 115.29 115.91 2bb9 s HIS 69 Ca 0.00 -0.48 -0.23 0.00 1.02 0.00 0.00 55.06 55.37 2bb9 s HIS 69 Cb 0.00 -2.27 -0.10 0.00 -1.02 0.00 0.00 32.58 29.19 2bb9 s HIS 69 CO 0.00 -0.39 0.96 0.15 1.02 0.00 0.00 174.74 176.48 2bb9 s LYS 70 N 1.61 4.29 0.24 1.40 1.02 -1.26 -0.57 119.74 126.47 2bb9 s LYS 70 Ca 0.06 1.23 -0.22 0.00 0.02 0.00 0.00 55.97 57.06 2bb9 s LYS 70 Cb -0.16 -2.38 0.04 0.00 -0.52 0.00 0.00 37.83 34.82 2bb9 s LYS 70 CO 0.04 0.02 0.83 0.00 -0.92 0.00 0.00 175.35 175.32 2bb9 s ALA 71 N -1.96 -1.34 0.01 5.17 0.00 -0.14 -4.84 121.76 118.66 2bb9 s ALA 71 Ca 0.59 -0.21 0.00 0.00 0.00 0.00 0.00 51.96 52.33 2bb9 s ALA 71 Cb -0.13 0.75 -0.01 0.00 0.00 0.00 0.00 23.12 23.73 2bb9 s ALA 71 CO 0.18 -1.04 -0.01 -1.50 0.00 0.00 0.00 175.76 173.39 2bb9 s ILE 72 N -3.42 0.06 -0.96 0.00 2.07 -1.26 -1.25 121.20 116.44 2bb9 s ILE 72 Ca 0.13 -0.39 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2bb9 s ILE 72 Cb -0.04 -0.13 0.00 0.00 0.13 0.00 0.00 42.46 42.42 2bb9 s ILE 72 CO 0.06 -0.21 0.00 0.61 -1.91 0.00 0.00 174.94 173.49 2bb9 n GLY 73 N 2.44 -1.36 3.73 1.50 0.00 -0.63 -4.90 105.19 105.98 2bb9 n GLY 73 Ca -0.17 -0.98 -0.41 0.00 0.00 0.00 0.00 46.02 44.46 2bb9 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bb9 s THR 74 N -2.49 4.34 -0.09 2.61 2.01 -1.26 -0.92 115.64 119.85 2bb9 s THR 74 Ca 0.00 1.98 0.02 0.00 0.31 0.00 0.00 61.69 64.00 2bb9 s THR 74 Cb 0.00 -4.27 0.01 0.00 0.01 0.00 0.00 72.50 68.26 2bb9 s THR 74 CO 0.00 0.32 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.43 2bb9 s VAL 75 N -0.12 1.28 -0.01 3.82 1.01 0.19 -4.51 120.40 122.06 2bb9 s VAL 75 Ca 0.47 -0.53 -0.07 0.00 0.00 0.00 0.00 61.98 61.85 2bb9 s VAL 75 Cb -0.25 -1.18 -0.05 0.00 0.00 0.00 0.00 36.38 34.91 2bb9 s VAL 75 CO 0.31 0.39 0.26 -0.76 0.00 0.00 0.00 175.10 175.30 2bb9 s LEU 76 N 0.87 4.38 -0.08 3.92 1.43 -0.03 -1.38 118.68 127.79 2bb9 s LEU 76 Ca -0.10 0.57 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2bb9 s LEU 76 Cb -0.15 -2.60 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2bb9 s LEU 76 CO 0.01 0.27 -0.13 -0.69 0.23 0.00 0.00 176.35 176.04 2bb9 s VAL 77 N -1.26 1.28 -0.00 -1.59 1.01 -0.02 -0.59 120.40 119.24 2bb9 s VAL 77 Ca 0.26 -0.54 -0.00 0.00 0.00 0.00 0.00 61.98 61.70 2bb9 s VAL 77 Cb -0.13 -1.17 0.00 0.00 0.00 0.00 0.00 36.38 35.08 2bb9 s VAL 77 CO 0.15 0.39 0.01 0.61 0.00 0.00 0.00 175.10 176.26 2bb9 n GLY 78 N 4.01 0.58 2.23 4.51 0.00 -0.58 -0.72 105.19 115.21 2bb9 n GLY 78 Ca -0.21 -0.83 -0.18 0.00 0.00 0.00 0.00 46.02 44.81 2bb9 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bb9 n PRO 79 N -0.01 2.11 -2.86 1.61 -0.04 -1.26 -3.30 135.00 131.25 2bb9 n PRO 79 Ca 0.00 -1.19 -0.37 0.00 -0.04 0.00 0.00 63.50 61.89 2bb9 n PRO 79 Cb 0.00 -2.18 -0.06 0.00 -0.04 0.00 0.00 33.50 31.23 2bb9 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bb9 s THR 80 N 1.90 4.28 0.45 0.52 -1.32 -1.26 -4.96 115.64 115.25 2bb9 s THR 80 Ca 0.54 1.74 0.22 0.00 -1.21 0.00 0.00 61.69 62.99 2bb9 s THR 80 Cb 0.21 -4.04 0.25 0.00 -1.51 0.00 0.00 72.50 67.42 2bb9 s THR 80 CO -0.02 0.25 2.06 -0.65 -2.21 0.00 0.00 174.62 174.05 2bb9 h PRO 81 N 3.48 0.00 -3.29 7.08 0.11 -1.98 -3.44 132.00 133.96 2bb9 h PRO 81 Ca -0.47 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.54 2bb9 h PRO 81 Cb 1.19 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.13 2bb9 h PRO 81 CO 0.66 0.13 -0.27 0.54 -0.21 0.00 0.00 178.00 178.85 2bb9 s VAL 82 N -4.44 0.08 0.08 3.15 0.11 -1.26 -5.09 120.40 113.04 2bb9 s VAL 82 Ca -0.04 -0.67 -0.31 0.00 -2.93 0.00 0.00 61.98 58.03 2bb9 s VAL 82 Cb 0.14 -0.89 -0.07 0.00 -1.53 0.00 0.00 36.38 34.04 2bb9 s VAL 82 CO 0.63 -0.37 1.32 0.20 -3.33 0.00 0.00 175.10 173.54 2bb9 s ASN 83 N -1.96 6.92 -0.11 3.54 0.01 -1.26 -4.75 114.94 117.33 2bb9 s ASN 83 Ca -0.06 2.18 0.02 0.00 -0.71 0.00 0.00 52.86 54.29 2bb9 s ASN 83 Cb -0.01 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.08 2bb9 s ASN 83 CO -0.02 -0.59 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.17 2bb9 s ILE 84 N 1.22 1.64 -0.37 0.60 1.01 -0.01 -0.64 121.20 124.66 2bb9 s ILE 84 Ca 0.62 -0.74 -0.14 0.00 0.00 0.00 0.00 60.65 60.39 2bb9 s ILE 84 Cb -0.33 -1.48 -0.00 0.00 0.01 0.00 0.00 42.46 40.66 2bb9 s ILE 84 CO 0.29 0.47 0.27 -0.63 0.00 0.00 0.00 174.94 175.34 2bb9 s ILE 85 N 0.84 5.27 0.65 2.92 -1.09 0.23 -1.54 121.20 128.48 2bb9 s ILE 85 Ca -0.09 -0.40 0.02 0.00 -2.23 0.00 0.00 60.65 57.95 2bb9 s ILE 85 Cb -0.15 -3.81 0.13 0.00 -1.58 0.00 0.00 42.46 37.04 2bb9 s ILE 85 CO 0.00 -0.14 0.90 0.61 -1.23 0.00 0.00 174.94 175.08 2bb9 n GLY 86 N 5.13 1.01 0.37 6.18 0.00 -1.13 -1.14 105.19 115.62 2bb9 n GLY 86 Ca -0.12 -2.08 0.15 0.00 0.00 0.00 0.00 46.02 43.97 2bb9 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bb9 h ARG 87 N 0.00 0.38 -0.26 1.61 3.08 -0.80 -1.47 114.38 116.93 2bb9 h ARG 87 Ca -0.30 -0.02 0.08 0.00 0.07 0.00 0.00 59.98 59.80 2bb9 h ARG 87 Cb 1.17 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.12 2bb9 h ARG 87 CO 0.35 0.25 0.22 -2.95 -1.07 0.00 0.00 179.97 176.77 2bb9 h ASN 88 N 0.39 0.00 0.00 7.04 -1.07 -1.74 -2.02 115.58 118.19 2bb9 h ASN 88 Ca 0.35 0.00 -0.22 0.00 0.07 0.00 0.00 56.30 56.50 2bb9 h ASN 88 Cb 0.80 0.00 -0.04 0.00 -2.07 0.00 0.00 38.32 37.01 2bb9 h ASN 88 CO -0.10 0.00 -1.96 0.18 0.07 0.00 0.00 177.43 175.61 2bb9 n LEU 89 N -4.18 0.00 -0.14 6.14 4.77 -0.71 -4.40 117.00 118.47 2bb9 n LEU 89 Ca 0.03 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.01 2bb9 n LEU 89 Cb 0.37 0.30 0.26 0.00 -2.33 0.00 0.00 43.42 42.02 2bb9 n LEU 89 CO 0.32 0.30 1.13 -0.07 -1.33 0.00 0.00 177.39 177.74 2bb9 h LEU 90 N 0.00 0.75 -0.80 2.23 3.38 -0.94 -2.14 115.31 117.78 2bb9 h LEU 90 Ca -0.33 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 2bb9 h LEU 90 Cb 1.69 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 42.22 2bb9 h LEU 90 CO 0.02 0.62 0.34 0.71 0.09 0.00 0.00 178.44 180.21 2bb9 h THR 91 N 0.84 1.26 0.00 0.22 1.35 -1.60 -1.60 112.91 113.39 2bb9 h THR 91 Ca 0.21 -0.80 -0.03 0.00 -0.55 0.00 0.00 66.41 65.24 2bb9 h THR 91 Cb 0.05 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 66.75 2bb9 h THR 91 CO -0.03 0.33 -0.15 1.56 -0.25 0.00 0.00 175.52 176.97 2bb9 h GLN 92 N 1.16 0.00 -0.27 4.72 1.08 -1.60 -1.77 115.11 118.44 2bb9 h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2bb9 h GLN 92 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2bb9 h GLN 92 CO -0.03 0.15 0.00 0.44 -0.95 0.00 0.00 178.83 178.45 2bb9 n ILE 93 N -4.10 0.34 -1.75 2.54 -5.35 -1.12 -4.94 119.36 104.99 2bb9 n ILE 93 Ca -0.02 -0.54 -0.03 0.00 -0.27 0.00 0.00 62.75 61.88 2bb9 n ILE 93 Cb 0.23 0.70 -0.01 0.00 -1.74 0.00 0.00 39.64 38.83 2bb9 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bb9 n GLY 94 N 1.32 0.37 3.71 3.28 0.00 -0.67 -5.02 105.19 108.18 2bb9 n GLY 94 Ca 0.17 -0.81 -0.42 0.00 0.00 0.00 0.00 46.02 44.97 2bb9 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bb9 s THR 96 N 0.89 0.91 -0.16 0.00 -4.23 -1.26 -4.67 115.64 107.12 2bb9 s THR 96 Ca 0.55 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2bb9 s THR 96 Cb -0.26 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.67 2bb9 s THR 96 CO 0.29 -0.72 0.13 -0.76 -0.54 0.00 0.00 174.62 173.02 2bb9 s LEU 97 N -3.13 4.26 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.66 2bb9 s LEU 97 Ca 0.17 0.34 0.02 0.00 -1.03 0.00 0.00 54.13 53.62 2bb9 s LEU 97 Cb 0.04 -2.07 -0.00 0.00 0.03 0.00 0.00 46.19 44.20 2bb9 s LEU 97 CO -0.00 0.30 -0.05 0.20 0.23 0.00 0.00 176.35 177.03 2bb9 s ASN 98 N -0.37 0.64 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.07 2bb9 s ASN 98 Ca 0.11 -0.10 0.00 0.00 -1.57 0.00 0.00 52.86 51.31 2bb9 s ASN 98 Cb -0.12 -0.10 0.00 0.00 -0.02 0.00 0.00 41.25 41.01 2bb9 s ASN 98 CO 0.01 0.05 0.00 2.22 -2.57 0.00 0.00 177.10 176.81