#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bbb s GLN 2 N 0.00 3.55 -0.23 0.54 0.74 -1.26 -5.08 119.66 117.91 2bbb s GLN 2 Ca 0.00 -0.55 -0.06 0.00 0.05 0.00 0.00 55.36 54.80 2bbb s GLN 2 Cb 0.00 -3.10 -0.03 0.00 1.10 0.00 0.00 33.01 30.99 2bbb s GLN 2 CO 0.00 -0.08 0.04 0.42 -0.55 0.00 0.00 175.29 175.12 2bbb s ILE 3 N 1.25 4.17 0.70 -2.34 1.01 -1.26 -5.09 121.20 119.64 2bbb s ILE 3 Ca 0.03 -0.23 -0.13 0.00 0.00 0.00 0.00 60.65 60.33 2bbb s ILE 3 Cb -0.15 -2.93 0.02 0.00 0.01 0.00 0.00 42.46 39.42 2bbb s ILE 3 CO 0.01 0.38 1.09 0.28 0.00 0.00 0.00 174.94 176.69 2bbb s THR 4 N 1.35 3.49 -0.55 2.92 -1.32 -1.26 -4.97 115.64 115.30 2bbb s THR 4 Ca 0.05 0.57 0.14 0.00 -1.21 0.00 0.00 61.69 61.24 2bbb s THR 4 Cb -0.15 -3.11 0.44 0.00 -1.51 0.00 0.00 72.50 68.17 2bbb s THR 4 CO 0.02 -0.55 1.36 0.18 -2.21 0.00 0.00 174.62 173.43 2bbb n LEU 5 N -2.94 3.53 0.20 9.08 4.77 -1.26 -4.45 117.00 125.94 2bbb n LEU 5 Ca 0.09 -2.55 0.04 0.00 -0.03 0.00 0.00 56.01 53.57 2bbb n LEU 5 Cb 0.53 -0.41 0.43 0.00 -2.33 0.00 0.00 43.42 41.64 2bbb n LEU 5 CO 0.51 0.70 0.80 -0.50 -1.33 0.00 0.00 177.39 177.58 2bbb h TRP 6 N 2.03 0.00 -2.64 -1.77 4.06 -2.06 -3.43 115.95 112.14 2bbb h TRP 6 Ca 0.00 0.00 -0.50 0.00 2.06 0.00 0.00 58.89 60.45 2bbb h TRP 6 Cb 1.14 0.00 -0.14 0.00 -1.00 0.00 0.00 29.16 29.16 2bbb h TRP 6 CO 0.40 0.29 -0.65 -0.65 -3.56 0.00 0.00 178.44 174.27 2bbb s GLN 7 N -4.34 1.61 0.33 0.49 1.11 -1.26 -5.11 119.66 112.49 2bbb s GLN 7 Ca -0.03 -1.85 -0.29 0.00 0.01 0.00 0.00 55.36 53.20 2bbb s GLN 7 Cb 0.15 -1.09 -0.11 0.00 -1.01 0.00 0.00 33.01 30.94 2bbb s GLN 7 CO 0.71 -0.04 1.56 1.03 0.01 0.00 0.00 175.29 178.55 2bbb s ARG 8 N -3.78 4.11 -1.10 2.91 0.52 -1.26 -4.86 118.95 115.48 2bbb s ARG 8 Ca 0.32 2.59 -0.21 0.00 -0.52 0.00 0.00 55.73 57.92 2bbb s ARG 8 Cb 0.06 -3.00 0.07 0.00 0.52 0.00 0.00 34.95 32.60 2bbb s ARG 8 CO 0.13 -0.61 1.51 -1.25 0.02 0.00 0.00 175.30 175.11 2bbb s PRO 9 N -1.12 3.73 -0.05 3.54 0.04 -1.26 -4.96 135.00 134.91 2bbb s PRO 9 Ca 0.59 -1.48 -0.09 0.00 0.04 0.00 0.00 61.00 60.06 2bbb s PRO 9 Cb -0.48 -5.37 -0.05 0.00 0.04 0.00 0.00 34.50 28.65 2bbb s PRO 9 CO 0.54 -2.17 0.25 -0.51 0.04 0.00 0.00 177.00 175.15 2bbb s LEU 10 N 4.45 4.41 0.13 -3.56 1.43 -1.26 -1.49 118.68 122.79 2bbb s LEU 10 Ca 0.47 0.64 -0.01 0.00 -1.03 0.00 0.00 54.13 54.20 2bbb s LEU 10 Cb 0.01 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.79 2bbb s LEU 10 CO -0.04 0.34 0.04 0.68 0.23 0.00 0.00 176.35 177.60 2bbb s VAL 11 N -1.12 0.19 -0.09 -1.59 -7.23 -0.20 -4.96 120.40 105.40 2bbb s VAL 11 Ca 0.21 -1.91 -0.14 0.00 -1.81 0.00 0.00 61.98 58.33 2bbb s VAL 11 Cb -0.14 -2.01 -0.05 0.00 0.56 0.00 0.00 36.38 34.75 2bbb s VAL 11 CO 0.10 -0.52 0.35 -0.89 -0.31 0.00 0.00 175.10 173.83 2bbb s THR 12 N -3.98 5.20 0.24 5.32 2.01 -1.26 -0.90 115.64 122.27 2bbb s THR 12 Ca 0.22 0.68 0.09 0.00 0.31 0.00 0.00 61.69 63.00 2bbb s THR 12 Cb 0.07 -3.66 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 2bbb s THR 12 CO 0.01 0.48 -0.14 0.27 -0.69 0.00 0.00 174.62 174.55 2bbb s ILE 13 N -0.30 1.95 -0.12 1.82 -4.36 0.23 -2.62 121.20 117.80 2bbb s ILE 13 Ca 0.21 -2.25 0.00 0.00 -0.26 0.00 0.00 60.65 58.35 2bbb s ILE 13 Cb -0.15 -2.20 0.02 0.00 1.25 0.00 0.00 42.46 41.38 2bbb s ILE 13 CO 0.09 -0.48 -0.11 -0.75 0.24 0.00 0.00 174.94 173.92 2bbb s LYS 14 N -3.62 1.91 -0.19 0.37 2.20 0.20 -1.39 119.74 119.22 2bbb s LYS 14 Ca 0.26 -0.42 -0.10 0.00 -0.36 0.00 0.00 55.97 55.36 2bbb s LYS 14 Cb -0.01 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.58 2bbb s LYS 14 CO 0.10 -0.20 0.44 -1.50 -0.36 0.00 0.00 175.35 173.84 2bbb s ILE 15 N 1.43 -0.14 -1.36 5.43 2.07 -0.57 -1.32 121.20 126.74 2bbb s ILE 15 Ca 0.01 0.10 -0.02 0.00 -1.41 0.00 0.00 60.65 59.33 2bbb s ILE 15 Cb -0.13 -0.67 0.00 0.00 0.13 0.00 0.00 42.46 41.79 2bbb s ILE 15 CO -0.07 0.04 0.21 0.61 -1.91 0.00 0.00 174.94 173.82 2bbb n GLY 16 N 4.48 -0.31 2.12 1.50 0.00 -1.26 -2.38 105.19 109.34 2bbb n GLY 16 Ca -0.20 -0.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.68 2bbb n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbb n GLY 17 N -1.17 0.48 3.10 -0.02 0.00 -1.26 -5.03 105.19 101.29 2bbb n GLY 17 Ca -0.15 -0.25 -0.16 0.00 0.00 0.00 0.00 46.02 45.45 2bbb n GLY 17 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2bbb s GLN 18 N -0.78 0.68 -0.15 1.61 -2.07 -1.00 -5.14 119.66 112.82 2bbb s GLN 18 Ca 0.00 -0.76 -0.15 0.00 -1.82 0.00 0.00 55.36 52.63 2bbb s GLN 18 Cb 0.00 -0.58 -0.05 0.00 -1.09 0.00 0.00 33.01 31.29 2bbb s GLN 18 CO 0.00 0.13 0.34 -0.51 -1.32 0.00 0.00 175.29 173.93 2bbb s LEU 19 N -1.40 4.26 0.11 2.60 1.43 -1.26 -1.51 118.68 122.91 2bbb s LEU 19 Ca -0.04 0.60 0.03 0.00 -1.03 0.00 0.00 54.13 53.68 2bbb s LEU 19 Cb -0.09 -2.46 -0.04 0.00 0.03 0.00 0.00 46.19 43.63 2bbb s LEU 19 CO 0.01 0.08 -0.08 -0.54 0.23 0.00 0.00 176.35 176.05 2bbb s LYS 20 N 0.47 0.89 -0.15 1.70 1.02 -0.49 -4.96 119.74 118.22 2bbb s LYS 20 Ca 0.19 -1.36 -0.11 0.00 0.02 0.00 0.00 55.97 54.71 2bbb s LYS 20 Cb -0.14 -0.33 -0.05 0.00 -0.52 0.00 0.00 37.83 36.80 2bbb s LYS 20 CO 0.06 0.01 0.22 -2.00 -0.92 0.00 0.00 175.35 172.72 2bbb s GLU 21 N -3.78 4.04 0.04 1.68 2.12 -1.26 -0.60 118.70 120.93 2bbb s GLU 21 Ca 0.13 -0.03 0.00 0.00 0.36 0.00 0.00 54.97 55.44 2bbb s GLU 21 Cb 0.04 -3.36 -0.03 0.00 0.26 0.00 0.00 34.13 31.05 2bbb s GLU 21 CO -0.03 0.41 -0.04 0.00 -0.54 0.00 0.00 175.26 175.05 2bbb s ALA 22 N 0.00 0.35 -0.20 6.30 0.00 -0.07 -4.45 121.76 123.69 2bbb s ALA 22 Ca 0.14 -0.78 -0.16 0.00 0.00 0.00 0.00 51.96 51.16 2bbb s ALA 22 Cb -0.12 0.14 -0.04 0.00 0.00 0.00 0.00 23.12 23.10 2bbb s ALA 22 CO 0.03 -0.17 0.39 -1.17 0.00 0.00 0.00 175.76 174.84 2bbb s LEU 23 N -1.83 4.17 -0.31 0.00 2.96 0.64 -1.03 118.68 123.27 2bbb s LEU 23 Ca -0.09 0.52 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2bbb s LEU 23 Cb -0.06 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.14 2bbb s LEU 23 CO -0.02 -0.06 1.16 -0.76 -1.32 0.00 0.00 176.35 175.35 2bbb s LEU 24 N 1.21 3.92 -0.31 -0.68 1.43 -0.55 -0.58 118.68 123.12 2bbb s LEU 24 Ca 0.19 1.12 0.03 0.00 -1.03 0.00 0.00 54.13 54.43 2bbb s LEU 24 Cb -0.15 -3.54 0.09 0.00 0.03 0.00 0.00 46.19 42.62 2bbb s LEU 24 CO 0.08 -0.95 0.02 -0.62 0.23 0.00 0.00 176.35 175.11 2bbb s ASP 25 N 2.05 4.54 0.39 2.29 3.68 -0.11 -4.77 116.67 124.74 2bbb s ASP 25 Ca 0.49 -1.88 0.28 0.00 2.13 0.00 0.00 52.55 53.58 2bbb s ASP 25 Cb -0.14 -1.48 1.23 0.00 -1.45 0.00 0.00 42.92 41.08 2bbb s ASP 25 CO 0.18 -0.34 1.85 0.71 0.13 0.00 0.00 175.17 177.70 2bbb h THR 26 N 6.63 0.00 -0.24 1.71 1.35 -1.94 -2.56 112.91 117.86 2bbb h THR 26 Ca -0.09 -0.30 0.00 0.00 -0.55 0.00 0.00 66.41 65.47 2bbb h THR 26 Cb 1.03 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 68.57 2bbb h THR 26 CO 0.49 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.37 2bbb n GLY 27 N -0.16 0.29 3.23 5.82 0.00 -1.26 -4.82 105.19 108.29 2bbb n GLY 27 Ca 0.01 -0.35 -0.33 0.00 0.00 0.00 0.00 46.02 45.36 2bbb n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbb s ALA 28 N -1.68 2.31 0.16 4.61 0.00 -0.96 -5.01 121.76 121.18 2bbb s ALA 28 Ca 0.25 -1.02 -0.12 0.00 0.00 0.00 0.00 51.96 51.06 2bbb s ALA 28 Cb 0.13 -1.00 0.04 0.00 0.00 0.00 0.00 23.12 22.29 2bbb s ALA 28 CO 0.18 0.10 1.66 -0.44 0.00 0.00 0.00 175.76 177.27 2bbb h ASP 29 N 7.06 0.81 -0.65 0.00 3.45 -1.88 0.15 116.42 125.35 2bbb h ASP 29 Ca -0.27 -0.23 -0.63 0.00 0.43 0.00 0.00 57.03 56.32 2bbb h ASP 29 Cb 1.21 -0.21 -0.10 0.00 -0.56 0.00 0.00 39.33 39.67 2bbb h ASP 29 CO 0.53 0.83 -0.45 -1.81 -1.57 0.00 0.00 179.24 176.77 2bbb s ASP 30 N -6.19 4.30 -0.17 6.45 1.01 -1.26 -2.16 116.67 118.65 2bbb s ASP 30 Ca -0.13 -1.44 -0.04 0.00 0.71 0.00 0.00 52.55 51.65 2bbb s ASP 30 Cb 0.12 0.31 -0.03 0.00 1.01 0.00 0.00 42.92 44.34 2bbb s ASP 30 CO 0.80 -0.87 -0.03 -0.89 0.21 0.00 0.00 175.17 174.40 2bbb s THR 31 N -2.80 3.85 -0.06 -1.27 2.01 -1.26 -2.89 115.64 113.22 2bbb s THR 31 Ca 0.20 -0.36 0.01 0.00 0.31 0.00 0.00 61.69 61.85 2bbb s THR 31 Cb 0.01 -2.70 0.02 0.00 0.01 0.00 0.00 72.50 69.84 2bbb s THR 31 CO 0.12 0.47 -0.08 0.54 -0.69 0.00 0.00 174.62 174.98 2bbb s VAL 32 N 0.59 0.83 0.21 3.82 0.11 -0.57 -0.09 120.40 125.30 2bbb s VAL 32 Ca -0.02 -0.27 0.10 0.00 -2.93 0.00 0.00 61.98 58.86 2bbb s VAL 32 Cb -0.14 -0.81 -0.04 0.00 -1.53 0.00 0.00 36.38 33.85 2bbb s VAL 32 CO 0.02 0.30 -0.16 -0.76 -3.33 0.00 0.00 175.10 171.17 2bbb s LEU 33 N 0.95 2.73 0.90 2.54 1.43 0.46 -0.83 118.68 126.85 2bbb s LEU 33 Ca -0.10 -0.76 -0.10 0.00 -1.03 0.00 0.00 54.13 52.14 2bbb s LEU 33 Cb -0.15 -1.40 0.13 0.00 0.03 0.00 0.00 46.19 44.81 2bbb s LEU 33 CO 0.00 0.09 1.14 -1.61 0.23 0.00 0.00 176.35 176.20 2bbb s GLU 34 N -2.94 1.17 -0.19 1.70 2.02 -1.26 -1.63 118.70 117.58 2bbb s GLU 34 Ca 0.25 1.48 -0.42 0.00 0.02 0.00 0.00 54.97 56.29 2bbb s GLU 34 Cb -0.08 -1.75 -0.19 0.00 0.10 0.00 0.00 34.13 32.21 2bbb s GLU 34 CO 0.13 -2.50 1.38 0.39 0.02 0.00 0.00 175.26 174.68 2bbb n GLU 35 N -4.14 0.35 -3.68 1.61 -0.58 -1.18 -4.58 120.64 108.45 2bbb n GLU 35 Ca 0.11 0.13 -0.07 0.00 -0.42 0.00 0.00 57.16 56.90 2bbb n GLU 35 Cb 0.52 -1.67 -0.02 0.00 -0.57 0.00 0.00 31.44 29.70 2bbb n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2bbb s MET 36 N 1.54 1.37 -0.07 3.49 0.23 -1.26 -5.03 119.30 119.57 2bbb s MET 36 Ca 0.96 -0.68 -0.11 0.00 -1.03 0.00 0.00 55.69 54.83 2bbb s MET 36 Cb -1.27 0.52 -0.05 0.00 -1.53 0.00 0.00 34.83 32.50 2bbb s MET 36 CO 0.65 -0.62 0.26 0.45 -2.03 0.00 0.00 175.02 173.73 2bbb s SER 37 N -2.82 6.57 0.05 -1.18 0.15 -1.26 -5.02 113.70 110.19 2bbb s SER 37 Ca 0.08 0.68 0.02 0.00 0.70 0.00 0.00 55.95 57.44 2bbb s SER 37 Cb -0.03 -2.15 -0.03 0.00 -1.71 0.00 0.00 66.02 62.10 2bbb s SER 37 CO -0.01 0.36 -0.08 -0.76 1.20 0.00 0.00 173.24 173.95 2bbb s LEU 38 N -1.01 2.28 0.55 3.45 1.43 -1.26 -4.97 118.68 119.16 2bbb s LEU 38 Ca 0.19 -0.60 -0.11 0.00 -1.03 0.00 0.00 54.13 52.57 2bbb s LEU 38 Cb -0.14 -0.16 -0.05 0.00 0.03 0.00 0.00 46.19 45.87 2bbb s LEU 38 CO 0.08 -0.23 0.96 -2.16 0.23 0.00 0.00 176.35 175.23 2bbb s PRO 39 N -1.82 3.70 0.04 1.29 0.04 -1.26 -4.97 135.00 132.03 2bbb s PRO 39 Ca -0.08 0.69 0.00 0.00 0.04 0.00 0.00 61.00 61.66 2bbb s PRO 39 Cb -0.08 -2.17 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2bbb s PRO 39 CO -0.00 -0.39 0.00 0.41 0.04 0.00 0.00 177.00 177.06 2bbb n GLY 40 N -2.24 -3.51 3.89 0.56 0.00 -1.26 -4.96 105.19 97.67 2bbb n GLY 40 Ca 0.05 -1.93 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 2bbb n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2bbb s ARG 41 N -0.87 2.96 0.10 1.61 3.00 -1.26 -5.10 118.95 119.40 2bbb s ARG 41 Ca 0.00 0.32 -0.11 0.00 0.00 0.00 0.00 55.73 55.94 2bbb s ARG 41 Cb 0.00 -2.12 0.01 0.00 0.00 0.00 0.00 34.95 32.84 2bbb s ARG 41 CO 0.00 -0.86 0.26 1.67 0.00 0.00 0.00 175.30 176.37 2bbb s TRP 42 N -3.20 0.06 0.02 -0.53 1.48 -1.26 -4.46 118.94 111.04 2bbb s TRP 42 Ca 0.56 -0.45 0.04 0.00 -1.06 0.00 0.00 56.10 55.19 2bbb s TRP 42 Cb -0.11 0.04 -0.02 0.00 -1.16 0.00 0.00 33.47 32.22 2bbb s TRP 42 CO 0.49 -0.60 -0.13 0.15 -4.06 0.00 0.00 176.95 172.80 2bbb s LYS 43 N -3.85 0.95 0.48 3.25 -0.14 -0.80 -4.90 119.74 114.72 2bbb s LYS 43 Ca 0.05 -0.61 -0.22 0.00 -1.36 0.00 0.00 55.97 53.82 2bbb s LYS 43 Cb 0.04 -0.93 -0.07 0.00 -1.68 0.00 0.00 37.83 35.19 2bbb s LYS 43 CO -0.11 0.24 1.16 -2.14 -0.76 0.00 0.00 175.35 173.75 2bbb s PRO 44 N -0.77 3.65 0.05 -1.68 0.02 -1.26 -0.48 135.00 134.54 2bbb s PRO 44 Ca 0.03 1.76 -0.17 0.00 0.02 0.00 0.00 61.00 62.63 2bbb s PRO 44 Cb -0.06 -2.32 0.03 0.00 0.02 0.00 0.00 34.50 32.17 2bbb s PRO 44 CO 0.00 -0.63 0.39 0.21 -0.33 0.00 0.00 177.00 176.64 2bbb s LYS 45 N -2.82 0.92 -0.11 5.54 2.20 -0.41 -4.87 119.74 120.19 2bbb s LYS 45 Ca 0.66 -0.42 0.03 0.00 -0.36 0.00 0.00 55.97 55.87 2bbb s LYS 45 Cb -0.28 0.41 0.01 0.00 -1.51 0.00 0.00 37.83 36.45 2bbb s LYS 45 CO 0.33 -0.32 -0.19 -1.64 -0.36 0.00 0.00 175.35 173.18 2bbb s MET 46 N -2.62 2.62 -0.03 4.03 -1.94 -1.26 -0.75 119.30 119.35 2bbb s MET 46 Ca -0.04 -0.72 0.07 0.00 -1.71 0.00 0.00 55.69 53.29 2bbb s MET 46 Cb -0.01 -2.10 -0.02 0.00 2.01 0.00 0.00 34.83 34.72 2bbb s MET 46 CO -0.03 0.03 -0.25 0.96 -0.01 0.00 0.00 175.02 175.72 2bbb s ILE 47 N 0.71 2.00 0.03 2.53 -4.36 -0.82 -4.96 121.20 116.33 2bbb s ILE 47 Ca -0.11 -1.07 0.02 0.00 -0.26 0.00 0.00 60.65 59.23 2bbb s ILE 47 Cb -0.16 -1.67 -0.02 0.00 1.25 0.00 0.00 42.46 41.86 2bbb s ILE 47 CO 0.02 0.56 -0.08 -0.83 0.24 0.00 0.00 174.94 174.86 2bbb s GLY 48 N -0.47 0.47 0.00 6.27 0.00 -1.26 -1.28 107.32 111.06 2bbb s GLY 48 Ca 0.06 -0.64 0.00 0.00 0.00 0.00 0.00 44.72 44.14 2bbb s GLY 48 CO 0.00 -0.66 0.00 0.61 0.00 0.00 0.00 173.10 173.05 2bbb n GLY 49 N 1.87 3.46 3.69 0.20 0.00 -0.59 -4.95 105.19 108.86 2bbb n GLY 49 Ca -0.20 -0.17 -0.42 0.00 0.00 0.00 0.00 46.02 45.23 2bbb n GLY 49 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 2bbb n ILE 50 N 0.00 0.41 0.00 -0.61 2.08 -1.26 -1.21 119.36 118.77 2bbb n ILE 50 Ca 0.00 -0.07 0.00 0.00 0.56 0.00 0.00 62.75 63.24 2bbb n ILE 50 Cb 0.00 -2.14 0.00 0.00 -0.75 0.00 0.00 39.64 36.75 2bbb n ILE 50 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2bbb n GLY 51 N 4.27 1.39 0.00 7.39 0.00 -1.26 -4.94 105.19 112.04 2bbb n GLY 51 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 2bbb n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bbb n GLY 52 N -2.00 0.02 3.84 -0.02 0.00 -0.35 -5.06 105.19 101.63 2bbb n GLY 52 Ca 0.00 -2.24 -0.26 0.00 0.00 0.00 0.00 46.02 43.52 2bbb n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2bbb s PHE 53 N 0.00 3.26 0.05 1.61 0.08 -1.26 -1.55 117.98 120.16 2bbb s PHE 53 Ca 0.00 0.02 0.03 0.00 0.12 0.00 0.00 56.93 57.11 2bbb s PHE 53 Cb 0.00 -1.56 -0.02 0.00 -0.57 0.00 0.00 43.02 40.87 2bbb s PHE 53 CO 0.00 0.52 -0.10 0.96 -0.10 0.00 0.00 175.22 176.50 2bbb s ILE 54 N -1.75 0.73 -0.05 0.64 -4.36 -0.40 -4.98 121.20 111.03 2bbb s ILE 54 Ca 0.32 -1.06 -0.15 0.00 -0.26 0.00 0.00 60.65 59.49 2bbb s ILE 54 Cb -0.10 -0.74 -0.05 0.00 1.25 0.00 0.00 42.46 42.81 2bbb s ILE 54 CO 0.25 -0.27 0.41 -0.75 0.24 0.00 0.00 174.94 174.82 2bbb s LYS 55 N -1.47 4.06 0.15 0.37 2.20 -1.26 -1.95 119.74 121.84 2bbb s LYS 55 Ca -0.06 0.38 0.01 0.00 -0.36 0.00 0.00 55.97 55.94 2bbb s LYS 55 Cb -0.09 -3.30 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 2bbb s LYS 55 CO 0.01 0.50 0.01 0.14 -0.36 0.00 0.00 175.35 175.66 2bbb s VAL 56 N -0.46 0.47 -0.17 4.02 -7.23 0.07 -4.36 120.40 112.73 2bbb s VAL 56 Ca 0.23 -1.94 -0.07 0.00 -1.81 0.00 0.00 61.98 58.39 2bbb s VAL 56 Cb -0.16 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.71 2bbb s VAL 56 CO 0.11 -0.53 0.07 -0.13 -0.31 0.00 0.00 175.10 174.31 2bbb s ARG 57 N -3.95 3.92 -0.32 4.82 0.52 0.51 -1.28 118.95 123.16 2bbb s ARG 57 Ca 0.22 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 54.98 2bbb s ARG 57 Cb 0.07 -3.20 -0.03 0.00 0.52 0.00 0.00 34.95 32.31 2bbb s ARG 57 CO 0.02 0.32 0.22 -1.14 0.02 0.00 0.00 175.30 174.75 2bbb s GLN 58 N 0.23 3.62 -0.13 3.54 0.74 0.37 -0.86 119.66 127.17 2bbb s GLN 58 Ca 0.04 -0.55 -0.02 0.00 0.05 0.00 0.00 55.36 54.88 2bbb s GLN 58 Cb -0.12 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.21 2bbb s GLN 58 CO 0.00 -0.37 -0.07 0.71 -0.55 0.00 0.00 175.29 175.02 2bbb s TYR 59 N 1.73 2.95 0.29 1.67 1.51 -0.61 -1.91 117.35 122.98 2bbb s TYR 59 Ca 0.06 -0.29 0.07 0.00 -1.01 0.00 0.00 57.07 55.90 2bbb s TYR 59 Cb -0.17 -1.87 -0.02 0.00 -0.11 0.00 0.00 41.96 39.79 2bbb s TYR 59 CO 0.11 0.02 0.34 -0.51 -1.11 0.00 0.00 175.55 174.40 2bbb s ASP 60 N 0.05 5.78 -1.35 2.29 1.01 -1.26 -0.87 116.67 122.32 2bbb s ASP 60 Ca -0.01 -0.22 -0.00 0.00 0.71 0.00 0.00 52.55 53.03 2bbb s ASP 60 Cb -0.14 -1.35 -0.00 0.00 1.01 0.00 0.00 42.92 42.44 2bbb s ASP 60 CO 0.03 -0.24 0.58 0.00 0.21 0.00 0.00 175.17 175.74 2bbb n GLN 61 N -1.42 -4.17 -3.69 8.23 6.02 -1.21 -4.90 117.38 116.25 2bbb n GLN 61 Ca -0.04 0.53 -0.36 0.00 -0.01 0.00 0.00 57.00 57.11 2bbb n GLN 61 Cb 0.58 -4.89 -0.07 0.00 1.02 0.00 0.00 30.24 26.89 2bbb n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2bbb s ILE 62 N -3.80 5.36 0.05 5.09 -1.09 0.20 -4.79 121.20 122.21 2bbb s ILE 62 Ca 0.01 0.40 -0.26 0.00 -2.23 0.00 0.00 60.65 58.56 2bbb s ILE 62 Cb -0.00 -3.53 -0.05 0.00 -1.58 0.00 0.00 42.46 37.29 2bbb s ILE 62 CO 0.85 0.50 0.81 -0.76 -1.23 0.00 0.00 174.94 175.10 2bbb s LEU 63 N -0.24 4.45 0.02 2.97 1.43 -1.26 -1.62 118.68 124.43 2bbb s LEU 63 Ca 0.15 1.52 -0.10 0.00 -1.03 0.00 0.00 54.13 54.67 2bbb s LEU 63 Cb -0.13 -3.31 0.01 0.00 0.03 0.00 0.00 46.19 42.79 2bbb s LEU 63 CO 0.04 -0.01 0.20 -0.63 0.23 0.00 0.00 176.35 176.17 2bbb s ILE 64 N 0.00 0.09 -0.13 -0.59 1.01 -0.35 -4.57 121.20 116.66 2bbb s ILE 64 Ca 0.41 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 60.32 2bbb s ILE 64 Cb -0.21 -0.69 0.02 0.00 0.01 0.00 0.00 42.46 41.58 2bbb s ILE 64 CO 0.24 -0.41 -0.16 -1.61 0.00 0.00 0.00 174.94 173.00 2bbb s GLU 65 N -1.94 2.42 -0.24 2.79 2.02 -0.43 -1.22 118.70 122.09 2bbb s GLU 65 Ca -0.10 -0.63 0.02 0.00 0.02 0.00 0.00 54.97 54.28 2bbb s GLU 65 Cb -0.04 -2.08 0.05 0.00 0.10 0.00 0.00 34.13 32.16 2bbb s GLU 65 CO -0.01 -0.11 -0.11 0.42 0.02 0.00 0.00 175.26 175.47 2bbb s ILE 66 N 1.10 2.32 -1.52 -1.63 1.01 0.06 -0.63 121.20 121.91 2bbb s ILE 66 Ca -0.03 -1.38 -0.13 0.00 0.00 0.00 0.00 60.65 59.11 2bbb s ILE 66 Cb -0.14 -2.25 0.08 0.00 0.01 0.00 0.00 42.46 40.15 2bbb s ILE 66 CO -0.05 0.12 0.95 0.00 0.00 0.00 0.00 174.94 175.96 2bbb n GLY 68 N -1.68 1.30 3.54 0.00 0.00 -1.26 -5.01 105.19 102.07 2bbb n GLY 68 Ca 0.01 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 2bbb n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2bbb s HIS 69 N -3.61 3.20 0.22 1.61 4.02 0.04 -5.07 115.29 115.70 2bbb s HIS 69 Ca 0.00 -0.12 -0.29 0.00 1.02 0.00 0.00 55.06 55.67 2bbb s HIS 69 Cb 0.00 -2.39 -0.09 0.00 -1.02 0.00 0.00 32.58 29.09 2bbb s HIS 69 CO 0.00 -0.28 0.92 0.15 1.02 0.00 0.00 174.74 176.55 2bbb s LYS 70 N 1.71 4.80 0.14 1.40 1.02 -1.26 -0.76 119.74 126.79 2bbb s LYS 70 Ca 0.06 1.44 -0.16 0.00 0.02 0.00 0.00 55.97 57.33 2bbb s LYS 70 Cb -0.16 -3.29 0.03 0.00 -0.52 0.00 0.00 37.83 33.89 2bbb s LYS 70 CO 0.09 0.50 0.42 0.00 -0.92 0.00 0.00 175.35 175.44 2bbb s ALA 71 N -1.07 -0.87 0.02 5.17 0.00 -0.36 -4.87 121.76 119.77 2bbb s ALA 71 Ca 0.41 -0.14 0.03 0.00 0.00 0.00 0.00 51.96 52.27 2bbb s ALA 71 Cb -0.25 0.74 -0.01 0.00 0.00 0.00 0.00 23.12 23.59 2bbb s ALA 71 CO 0.31 -0.68 -0.11 -1.50 0.00 0.00 0.00 175.76 173.79 2bbb s ILE 72 N -3.83 0.83 -0.84 0.00 2.07 -1.26 -1.21 121.20 116.95 2bbb s ILE 72 Ca 0.05 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.60 2bbb s ILE 72 Cb 0.01 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.86 2bbb s ILE 72 CO -0.09 0.06 0.00 0.61 -1.91 0.00 0.00 174.94 173.60 2bbb n GLY 73 N 2.34 -1.33 3.74 1.50 0.00 -0.64 -4.90 105.19 105.91 2bbb n GLY 73 Ca -0.16 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 2bbb n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bbb s THR 74 N -2.49 3.90 -0.07 2.61 2.01 -1.26 -0.63 115.64 119.70 2bbb s THR 74 Ca 0.00 1.74 0.02 0.00 0.31 0.00 0.00 61.69 63.76 2bbb s THR 74 Cb 0.00 -4.11 0.01 0.00 0.01 0.00 0.00 72.50 68.42 2bbb s THR 74 CO 0.00 0.35 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.47 2bbb s VAL 75 N -0.61 1.14 -0.02 3.82 1.01 -0.05 -4.44 120.40 121.25 2bbb s VAL 75 Ca 0.46 -0.46 -0.08 0.00 0.00 0.00 0.00 61.98 61.91 2bbb s VAL 75 Cb -0.29 -1.06 -0.05 0.00 0.00 0.00 0.00 36.38 34.99 2bbb s VAL 75 CO 0.35 0.36 0.25 -0.76 0.00 0.00 0.00 175.10 175.31 2bbb s LEU 76 N 0.82 4.39 -0.08 3.92 1.43 0.88 -1.58 118.68 128.45 2bbb s LEU 76 Ca -0.12 0.58 0.02 0.00 -1.03 0.00 0.00 54.13 53.59 2bbb s LEU 76 Cb -0.15 -2.52 0.01 0.00 0.03 0.00 0.00 46.19 43.56 2bbb s LEU 76 CO 0.02 0.30 -0.14 -0.69 0.23 0.00 0.00 176.35 176.07 2bbb s VAL 77 N -1.21 1.28 -0.01 -1.59 1.01 -0.04 -0.41 120.40 119.44 2bbb s VAL 77 Ca 0.24 -0.55 -0.05 0.00 0.00 0.00 0.00 61.98 61.62 2bbb s VAL 77 Cb -0.13 -1.17 0.02 0.00 0.00 0.00 0.00 36.38 35.09 2bbb s VAL 77 CO 0.13 0.39 0.23 0.61 0.00 0.00 0.00 175.10 176.47 2bbb n GLY 78 N 3.95 0.54 2.25 4.51 0.00 -0.65 -0.36 105.19 115.42 2bbb n GLY 78 Ca -0.21 -0.87 -0.15 0.00 0.00 0.00 0.00 46.02 44.79 2bbb n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2bbb n PRO 79 N -0.17 1.85 -2.80 1.61 -0.04 -1.26 -3.09 135.00 131.10 2bbb n PRO 79 Ca 0.01 -1.04 -0.38 0.00 -0.04 0.00 0.00 63.50 62.04 2bbb n PRO 79 Cb 0.10 -2.09 -0.06 0.00 -0.04 0.00 0.00 33.50 31.41 2bbb n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2bbb s THR 80 N 1.96 4.18 0.51 0.52 -1.32 -1.26 -4.94 115.64 115.29 2bbb s THR 80 Ca 0.50 1.90 0.30 0.00 -1.21 0.00 0.00 61.69 63.18 2bbb s THR 80 Cb 0.20 -4.14 0.34 0.00 -1.51 0.00 0.00 72.50 67.38 2bbb s THR 80 CO -0.01 0.32 2.18 -0.65 -2.21 0.00 0.00 174.62 174.25 2bbb h PRO 81 N 3.68 0.00 -3.21 7.08 0.11 -1.98 -3.43 132.00 134.25 2bbb h PRO 81 Ca -0.46 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.57 2bbb h PRO 81 Cb 1.20 0.00 -0.16 0.00 0.11 0.00 0.00 31.00 32.14 2bbb h PRO 81 CO 0.66 0.05 -0.17 0.54 -0.21 0.00 0.00 178.00 178.88 2bbb s VAL 82 N -4.38 0.07 0.06 3.15 0.11 -1.26 -5.09 120.40 113.06 2bbb s VAL 82 Ca -0.04 -0.59 -0.31 0.00 -2.93 0.00 0.00 61.98 58.12 2bbb s VAL 82 Cb 0.14 -0.98 -0.06 0.00 -1.53 0.00 0.00 36.38 33.95 2bbb s VAL 82 CO 0.55 -0.32 1.21 0.20 -3.33 0.00 0.00 175.10 173.41 2bbb s ASN 83 N -2.15 7.06 -0.12 3.54 0.01 -1.26 -4.71 114.94 117.31 2bbb s ASN 83 Ca -0.04 2.02 0.02 0.00 -0.71 0.00 0.00 52.86 54.15 2bbb s ASN 83 Cb -0.00 -2.58 0.01 0.00 0.41 0.00 0.00 41.25 39.09 2bbb s ASN 83 CO -0.04 -0.49 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.26 2bbb s ILE 84 N 1.13 1.67 -0.36 0.60 1.01 -0.01 -0.26 121.20 124.98 2bbb s ILE 84 Ca 0.59 -0.74 -0.15 0.00 0.00 0.00 0.00 60.65 60.35 2bbb s ILE 84 Cb -0.30 -1.51 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 2bbb s ILE 84 CO 0.29 0.47 0.35 -0.63 0.00 0.00 0.00 174.94 175.42 2bbb s ILE 85 N 0.98 5.18 0.61 2.92 -1.09 0.26 -1.51 121.20 128.55 2bbb s ILE 85 Ca -0.06 -0.10 0.04 0.00 -2.23 0.00 0.00 60.65 58.30 2bbb s ILE 85 Cb -0.15 -3.84 0.11 0.00 -1.58 0.00 0.00 42.46 37.01 2bbb s ILE 85 CO -0.03 -0.14 0.84 0.61 -1.23 0.00 0.00 174.94 175.00 2bbb n GLY 86 N 5.02 1.22 0.39 6.18 0.00 -1.14 -0.94 105.19 115.91 2bbb n GLY 86 Ca -0.10 -2.11 0.16 0.00 0.00 0.00 0.00 46.02 43.98 2bbb n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2bbb h ARG 87 N 0.00 0.40 -0.30 1.61 3.08 -0.75 -0.72 114.38 117.70 2bbb h ARG 87 Ca -0.28 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.83 2bbb h ARG 87 Cb 1.13 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 31.08 2bbb h ARG 87 CO 0.34 0.26 0.22 -2.95 -1.07 0.00 0.00 179.97 176.77 2bbb h ASN 88 N 0.41 0.00 0.00 7.04 -1.07 -1.68 -2.01 115.58 118.27 2bbb h ASN 88 Ca 0.39 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.47 2bbb h ASN 88 Cb 0.93 0.00 -0.06 0.00 -2.07 0.00 0.00 38.32 37.13 2bbb h ASN 88 CO -0.13 0.00 -2.11 0.18 0.07 0.00 0.00 177.43 175.44 2bbb n LEU 89 N -4.39 0.00 -0.26 6.14 4.77 -0.72 -4.42 117.00 118.13 2bbb n LEU 89 Ca 0.04 0.00 0.01 0.00 -0.03 0.00 0.00 56.01 56.04 2bbb n LEU 89 Cb 0.39 0.39 0.23 0.00 -2.33 0.00 0.00 43.42 42.11 2bbb n LEU 89 CO 0.35 0.39 1.25 -0.07 -1.33 0.00 0.00 177.39 177.98 2bbb h LEU 90 N 0.00 0.90 -0.85 2.23 3.38 -0.80 -2.28 115.31 117.90 2bbb h LEU 90 Ca -0.43 -0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.48 2bbb h LEU 90 Cb 1.98 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2bbb h LEU 90 CO 0.02 0.63 0.34 0.71 0.09 0.00 0.00 178.44 180.24 2bbb h THR 91 N 1.05 1.26 0.00 0.22 1.35 -1.60 -1.68 112.91 113.52 2bbb h THR 91 Ca 0.32 -0.79 -0.03 0.00 -0.55 0.00 0.00 66.41 65.36 2bbb h THR 91 Cb -0.03 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 66.67 2bbb h THR 91 CO -0.08 0.33 -0.13 1.56 -0.25 0.00 0.00 175.52 176.94 2bbb h GLN 92 N 1.16 0.00 -0.35 4.72 1.08 -1.62 -1.46 115.11 118.63 2bbb h GLN 92 Ca 0.27 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.47 2bbb h GLN 92 Cb 0.19 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.62 2bbb h GLN 92 CO -0.03 0.13 0.00 0.44 -0.95 0.00 0.00 178.83 178.42 2bbb n ILE 93 N -4.22 0.46 -2.01 2.54 -5.35 -1.10 -4.94 119.36 104.73 2bbb n ILE 93 Ca -0.02 -0.61 -0.08 0.00 -0.27 0.00 0.00 62.75 61.76 2bbb n ILE 93 Cb 0.20 0.63 -0.01 0.00 -1.74 0.00 0.00 39.64 38.72 2bbb n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2bbb n GLY 94 N 1.35 0.19 3.73 3.28 0.00 -0.55 -5.00 105.19 108.18 2bbb n GLY 94 Ca 0.18 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.23 2bbb n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bbb s THR 96 N 0.26 0.61 -0.16 0.00 -4.23 -1.26 -4.67 115.64 106.19 2bbb s THR 96 Ca 0.50 -1.94 -0.11 0.00 -1.18 0.00 0.00 61.69 58.97 2bbb s THR 96 Cb -0.26 -1.81 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 2bbb s THR 96 CO 0.31 -0.75 0.18 -0.76 -0.54 0.00 0.00 174.62 173.06 2bbb s LEU 97 N -3.07 4.27 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.73 2bbb s LEU 97 Ca 0.15 0.38 0.02 0.00 -1.03 0.00 0.00 54.13 53.66 2bbb s LEU 97 Cb 0.06 -2.18 -0.00 0.00 0.03 0.00 0.00 46.19 44.10 2bbb s LEU 97 CO -0.03 0.22 -0.08 0.20 0.23 0.00 0.00 176.35 176.89 2bbb s ASN 98 N 0.02 0.99 0.00 2.29 -0.87 -1.26 -5.30 114.94 110.82 2bbb s ASN 98 Ca 0.12 -0.15 0.00 0.00 -1.57 0.00 0.00 52.86 51.26 2bbb s ASN 98 Cb -0.12 -0.20 0.00 0.00 -0.02 0.00 0.00 41.25 40.91 2bbb s ASN 98 CO 0.01 0.07 0.00 2.22 -2.57 0.00 0.00 177.10 176.84