#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9p h GLN 2 N 0.00 0.87 0.00 -0.52 1.08 -2.10 0.01 115.11 114.44 1q9p h GLN 2 Ca 0.00 -0.05 -0.01 0.00 -1.45 0.00 0.00 58.65 57.14 1q9p h GLN 2 Cb 0.00 -0.20 -0.00 0.00 -0.05 0.00 0.00 27.48 27.23 1q9p h GLN 2 CO 0.00 0.57 -0.03 0.97 -0.95 0.00 0.00 178.83 179.40 1q9p h ILE 3 N 0.89 0.71 -3.32 2.54 2.10 -2.14 -3.41 117.51 114.88 1q9p h ILE 3 Ca 0.29 -0.11 -0.56 0.00 1.08 0.00 0.00 64.86 65.56 1q9p h ILE 3 Cb 0.05 1.06 -0.04 0.00 -1.09 0.00 0.00 36.82 36.80 1q9p h ILE 3 CO -0.08 0.03 0.02 -0.89 -1.08 0.00 0.00 178.15 176.15 1q9p s THR 4 N -4.71 4.75 -0.02 2.19 2.01 -0.01 -5.07 115.64 114.78 1q9p s THR 4 Ca -0.05 1.34 0.04 0.00 0.31 0.00 0.00 61.69 63.34 1q9p s THR 4 Cb 0.15 -3.97 -0.03 0.00 0.01 0.00 0.00 72.50 68.67 1q9p s THR 4 CO 0.60 0.48 -0.13 -1.48 -0.69 0.00 0.00 174.62 173.39 1q9p s LEU 5 N -0.64 2.81 0.32 4.42 2.34 -1.26 -4.97 118.68 121.71 1q9p s LEU 5 Ca 0.32 -0.23 -0.29 0.00 0.06 0.00 0.00 54.13 53.99 1q9p s LEU 5 Cb -0.20 -1.61 -0.11 0.00 -0.56 0.00 0.00 46.19 43.72 1q9p s LEU 5 CO 0.20 0.31 1.49 0.26 -1.06 0.00 0.00 176.35 177.55 1q9p s TRP 6 N -0.83 2.77 0.29 3.48 0.51 -1.26 -4.90 118.94 119.00 1q9p s TRP 6 Ca 0.13 1.06 -0.02 0.00 -2.12 0.00 0.00 56.10 55.15 1q9p s TRP 6 Cb -0.11 -3.96 0.43 0.00 -0.81 0.00 0.00 33.47 29.02 1q9p s TRP 6 CO 0.03 -2.98 1.93 0.87 -0.51 0.00 0.00 176.95 176.29 1q9p h LYS 7 N 3.95 1.02 -5.46 4.98 1.57 -2.06 -3.38 116.57 117.18 1q9p h LYS 7 Ca -0.49 -0.10 -0.65 0.00 -1.87 0.00 0.00 60.65 57.55 1q9p h LYS 7 Cb 1.23 -0.21 -0.15 0.00 0.08 0.00 0.00 32.23 33.18 1q9p h LYS 7 CO 0.71 0.73 0.15 1.03 -0.57 0.00 0.00 179.45 181.50 1q9p s ARG 8 N -5.74 3.38 0.57 3.15 1.81 -1.26 -5.06 118.95 115.81 1q9p s ARG 8 Ca -0.11 -0.25 -0.13 0.00 -1.72 0.00 0.00 55.73 53.52 1q9p s ARG 8 Cb 0.17 -3.92 -0.06 0.00 -0.45 0.00 0.00 34.95 30.70 1q9p s ARG 8 CO 0.80 -0.96 1.00 -1.25 -0.68 0.00 0.00 175.30 174.21 1q9p s PRO 9 N 2.84 3.76 0.04 3.54 0.04 -1.26 -5.04 135.00 138.92 1q9p s PRO 9 Ca 0.24 0.83 -0.22 0.00 0.04 0.00 0.00 61.00 61.88 1q9p s PRO 9 Cb -0.14 -2.11 -0.06 0.00 0.04 0.00 0.00 34.50 32.23 1q9p s PRO 9 CO 0.18 -0.43 0.67 -0.51 0.04 0.00 0.00 177.00 176.96 1q9p s LEU 10 N -4.67 4.46 -0.00 -3.56 1.43 -1.26 -5.07 118.68 110.01 1q9p s LEU 10 Ca 0.57 1.32 0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1q9p s LEU 10 Cb -0.10 -3.06 -0.02 0.00 0.03 0.00 0.00 46.19 43.04 1q9p s LEU 10 CO 0.44 0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 176.24 1q9p s VAL 11 N -0.37 1.53 0.16 -1.59 1.01 -1.26 -5.14 120.40 114.73 1q9p s VAL 11 Ca 0.34 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.49 1q9p s VAL 11 Cb -0.20 -1.29 -0.04 0.00 0.00 0.00 0.00 36.38 34.85 1q9p s VAL 11 CO 0.20 0.37 -0.16 0.28 0.00 0.00 0.00 175.10 175.80 1q9p s THR 12 N -0.53 1.62 0.22 3.92 -1.32 -1.26 -3.45 115.64 114.83 1q9p s THR 12 Ca 0.07 -1.94 0.07 0.00 -1.21 0.00 0.00 61.69 58.68 1q9p s THR 12 Cb -0.08 -1.80 -0.05 0.00 -1.51 0.00 0.00 72.50 69.06 1q9p s THR 12 CO -0.00 -0.44 -0.11 0.27 -2.21 0.00 0.00 174.62 172.12 1q9p s ILE 13 N -2.39 1.66 -0.24 5.08 -4.36 -0.41 -4.59 121.20 115.96 1q9p s ILE 13 Ca 0.15 -2.18 -0.06 0.00 -0.26 0.00 0.00 60.65 58.30 1q9p s ILE 13 Cb -0.04 -2.16 -0.02 0.00 1.25 0.00 0.00 42.46 41.49 1q9p s ILE 13 CO 0.05 -0.51 0.03 -0.54 0.24 0.00 0.00 174.94 174.21 1q9p s LYS 14 N -3.68 3.57 -0.07 0.37 1.02 -0.71 -2.29 119.74 117.96 1q9p s LYS 14 Ca 0.24 -0.52 -0.03 0.00 0.02 0.00 0.00 55.97 55.69 1q9p s LYS 14 Cb 0.01 -3.22 0.04 0.00 -0.52 0.00 0.00 37.83 34.14 1q9p s LYS 14 CO 0.08 -0.18 0.07 -1.50 -0.92 0.00 0.00 175.35 172.90 1q9p s ILE 15 N 1.54 -0.11 -1.33 2.17 2.07 0.21 -2.18 121.20 123.57 1q9p s ILE 15 Ca 0.06 0.29 -0.01 0.00 -1.41 0.00 0.00 60.65 59.59 1q9p s ILE 15 Cb -0.15 -0.25 -0.00 0.00 0.13 0.00 0.00 42.46 42.19 1q9p s ILE 15 CO 0.01 0.07 0.61 0.61 -1.91 0.00 0.00 174.94 174.34 1q9p n GLY 16 N 5.30 -0.30 3.11 1.50 0.00 -1.26 -0.19 105.19 113.36 1q9p n GLY 16 Ca -0.04 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.13 1q9p n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 17 N -1.70 0.06 3.54 -0.02 0.00 -1.26 -4.94 105.19 100.86 1q9p n GLY 17 Ca -0.30 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.41 1q9p n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1q9p s GLN 18 N -1.62 2.26 -0.18 1.61 -0.21 0.74 -5.11 119.66 117.15 1q9p s GLN 18 Ca 0.00 -0.90 -0.10 0.00 0.02 0.00 0.00 55.36 54.38 1q9p s GLN 18 Cb 0.00 -2.33 -0.05 0.00 1.00 0.00 0.00 33.01 31.63 1q9p s GLN 18 CO 0.00 0.55 0.15 -0.51 -2.12 0.00 0.00 175.29 173.37 1q9p s LEU 19 N -1.62 4.24 0.14 2.90 1.43 -1.26 -0.62 118.68 123.89 1q9p s LEU 19 Ca 0.17 0.30 0.05 0.00 -1.03 0.00 0.00 54.13 53.63 1q9p s LEU 19 Cb -0.11 -2.12 -0.04 0.00 0.03 0.00 0.00 46.19 43.95 1q9p s LEU 19 CO 0.08 0.21 -0.13 -0.75 0.23 0.00 0.00 176.35 175.99 1q9p s LYS 20 N 0.14 1.05 -0.09 1.70 2.20 -0.97 -4.99 119.74 118.78 1q9p s LYS 20 Ca 0.10 -1.33 0.01 0.00 -0.36 0.00 0.00 55.97 54.39 1q9p s LYS 20 Cb -0.11 -0.81 -0.02 0.00 -1.51 0.00 0.00 37.83 35.38 1q9p s LYS 20 CO -0.00 0.14 -0.11 -2.00 -0.36 0.00 0.00 175.35 173.01 1q9p s GLU 21 N -3.09 2.99 0.06 4.03 2.12 -1.26 -1.28 118.70 122.27 1q9p s GLU 21 Ca 0.12 -0.64 -0.14 0.00 0.36 0.00 0.00 54.97 54.67 1q9p s GLU 21 Cb -0.02 -2.57 0.02 0.00 0.26 0.00 0.00 34.13 31.82 1q9p s GLU 21 CO 0.02 0.45 0.31 0.00 -0.54 0.00 0.00 175.26 175.51 1q9p s ALA 22 N -0.26 -0.68 0.04 6.30 0.00 -1.22 -4.27 121.76 121.67 1q9p s ALA 22 Ca 0.02 -0.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.89 1q9p s ALA 22 Cb -0.13 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.35 1q9p s ALA 22 CO 0.03 -0.46 0.23 -0.51 0.00 0.00 0.00 175.76 175.04 1q9p s LEU 23 N -2.29 4.35 -0.07 0.00 1.43 -0.60 -4.55 118.68 116.97 1q9p s LEU 23 Ca -0.02 0.37 -0.22 0.00 -1.03 0.00 0.00 54.13 53.22 1q9p s LEU 23 Cb 0.00 -2.84 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 1q9p s LEU 23 CO -0.06 0.20 0.66 -0.76 0.23 0.00 0.00 176.35 176.62 1q9p s LEU 24 N -2.23 4.32 0.00 1.79 1.02 -1.26 -2.58 118.68 119.74 1q9p s LEU 24 Ca 0.32 1.13 0.00 0.00 0.02 0.00 0.00 54.13 55.60 1q9p s LEU 24 Cb -0.13 -3.01 0.00 0.00 0.02 0.00 0.00 46.19 43.08 1q9p s LEU 24 CO 0.23 -0.08 0.00 -0.67 0.02 0.00 0.00 176.35 175.85 1q9p n ASP 25 N 3.67 0.00 0.00 2.29 2.03 -0.24 -4.93 116.55 119.38 1q9p n ASP 25 Ca -0.03 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.28 1q9p n ASP 25 Cb 0.51 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1q9p n ASP 25 CO 0.00 0.00 0.00 0.41 -1.92 0.00 0.00 177.20 175.69 1q9p n THR 26 N 0.81 0.00 -2.19 5.18 -1.04 -1.26 -4.92 114.28 110.86 1q9p n THR 26 Ca 0.00 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 62.02 1q9p n THR 26 Cb 0.00 -0.53 0.01 0.00 -1.82 0.00 0.00 70.33 67.99 1q9p n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1q9p n GLY 27 N 2.62 0.69 3.04 3.41 0.00 -1.26 -5.09 105.19 108.59 1q9p n GLY 27 Ca 0.00 -0.32 -0.09 0.00 0.00 0.00 0.00 46.02 45.61 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p s ALA 28 N 0.00 0.38 -0.83 4.61 0.00 -1.26 -5.03 121.76 119.62 1q9p s ALA 28 Ca 0.13 -0.86 0.22 0.00 0.00 0.00 0.00 51.96 51.45 1q9p s ALA 28 Cb 0.14 0.17 0.00 0.00 0.00 0.00 0.00 23.12 23.44 1q9p s ALA 28 CO -0.06 -0.21 1.02 -0.25 0.00 0.00 0.00 175.76 176.26 1q9p n ASP 29 N 1.00 0.72 -4.89 0.00 8.00 -1.26 -4.53 116.55 115.59 1q9p n ASP 29 Ca -0.20 -0.55 -0.29 0.00 0.71 0.00 0.00 54.79 54.46 1q9p n ASP 29 Cb 0.57 0.85 -0.01 0.00 -0.02 0.00 0.00 41.12 42.50 1q9p n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q9p s ASP 30 N -3.35 6.37 -0.15 -2.24 1.01 -1.26 -4.19 116.67 112.86 1q9p s ASP 30 Ca 0.06 1.02 -0.00 0.00 0.71 0.00 0.00 52.55 54.34 1q9p s ASP 30 Cb 0.16 -2.28 -0.01 0.00 1.01 0.00 0.00 42.92 41.79 1q9p s ASP 30 CO 0.82 -0.51 -0.13 -0.89 0.21 0.00 0.00 175.17 174.67 1q9p s THR 31 N -2.60 2.97 -0.06 -1.27 2.01 -1.26 -3.79 115.64 111.64 1q9p s THR 31 Ca 0.49 -0.68 0.01 0.00 0.31 0.00 0.00 61.69 61.82 1q9p s THR 31 Cb -0.10 -2.26 0.02 0.00 0.01 0.00 0.00 72.50 70.17 1q9p s THR 31 CO 0.40 0.51 -0.06 -0.69 -0.69 0.00 0.00 174.62 174.09 1q9p s VAL 32 N 0.62 0.72 -0.01 3.82 1.01 -0.86 -3.88 120.40 121.81 1q9p s VAL 32 Ca -0.07 -0.19 0.06 0.00 0.00 0.00 0.00 61.98 61.77 1q9p s VAL 32 Cb -0.16 -0.73 -0.02 0.00 0.00 0.00 0.00 36.38 35.48 1q9p s VAL 32 CO 0.03 0.28 -0.19 -0.63 0.00 0.00 0.00 175.10 174.58 1q9p s ILE 33 N 1.10 1.53 1.11 2.22 1.01 -0.76 -1.12 121.20 126.29 1q9p s ILE 33 Ca -0.08 -0.83 -0.15 0.00 0.00 0.00 0.00 60.65 59.59 1q9p s ILE 33 Cb -0.14 -1.28 0.25 0.00 0.01 0.00 0.00 42.46 41.30 1q9p s ILE 33 CO -0.01 0.43 1.07 -1.83 0.00 0.00 0.00 174.94 174.60 1q9p s GLU 34 N -0.46 -0.50 -0.00 2.79 -1.05 -0.80 -1.06 118.70 117.61 1q9p s GLU 34 Ca 0.07 0.42 -0.25 0.00 -0.15 0.00 0.00 54.97 55.06 1q9p s GLU 34 Cb -0.07 -1.64 -0.04 0.00 -0.44 0.00 0.00 34.13 31.93 1q9p s GLU 34 CO -0.01 -3.34 0.77 -1.21 0.95 0.00 0.00 175.26 172.43 1q9p s GLU 35 N -4.95 4.48 0.00 -4.83 2.02 -1.25 -4.77 118.70 109.41 1q9p s GLU 35 Ca 0.67 1.04 0.08 0.00 0.02 0.00 0.00 54.97 56.79 1q9p s GLU 35 Cb -0.18 -3.41 0.03 0.00 0.10 0.00 0.00 34.13 30.67 1q9p s GLU 35 CO 0.59 0.16 0.65 -0.12 0.02 0.00 0.00 175.26 176.56 1q9p n MET 36 N 3.29 1.21 -0.77 1.61 0.00 -1.26 -5.04 117.12 116.16 1q9p n MET 36 Ca -0.01 -0.75 0.00 0.00 -0.00 0.00 0.00 57.70 56.94 1q9p n MET 36 Cb 0.51 -1.08 0.00 0.00 0.00 0.00 0.00 33.22 32.65 1q9p n MET 36 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1q9p n SER 37 N 0.07 -1.02 -2.72 6.12 7.64 -1.26 -5.09 113.62 117.35 1q9p n SER 37 Ca 0.04 0.00 -0.08 0.00 1.01 0.00 0.00 58.87 59.84 1q9p n SER 37 Cb 0.18 -0.51 0.09 0.00 -1.01 0.00 0.00 64.21 62.96 1q9p n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1q9p n LEU 38 N -0.10 -2.22 -4.57 -3.43 -0.00 -1.26 -5.11 117.00 100.31 1q9p n LEU 38 Ca 0.00 -3.48 -0.42 0.00 -0.00 0.00 0.00 56.01 52.11 1q9p n LEU 38 Cb 0.00 0.94 -0.03 0.00 -0.00 0.00 0.00 43.42 44.34 1q9p n LEU 38 CO 0.00 2.02 1.19 -2.16 -0.00 0.00 0.00 177.39 178.44 1q9p s PRO 39 N 0.25 3.35 0.10 1.47 0.04 -1.26 -4.75 135.00 134.19 1q9p s PRO 39 Ca 0.22 0.27 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1q9p s PRO 39 Cb 0.29 -4.10 0.00 0.00 0.04 0.00 0.00 34.50 30.73 1q9p s PRO 39 CO -0.07 -1.90 0.00 0.41 0.04 0.00 0.00 177.00 175.48 1q9p n GLY 40 N 5.22 -0.10 2.97 0.56 0.00 -1.26 -5.10 105.19 107.47 1q9p n GLY 40 Ca 0.10 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.98 1q9p n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1q9p s ARG 41 N -1.55 0.13 0.08 1.61 0.52 -1.26 -5.16 118.95 113.32 1q9p s ARG 41 Ca 0.00 0.36 -0.07 0.00 -0.52 0.00 0.00 55.73 55.51 1q9p s ARG 41 Cb 0.00 -0.12 -0.01 0.00 0.52 0.00 0.00 34.95 35.34 1q9p s ARG 41 CO 0.00 -0.14 0.14 1.67 0.02 0.00 0.00 175.30 176.99 1q9p s TRP 42 N 0.97 0.27 -0.18 -0.53 1.48 -1.26 -4.60 118.94 115.08 1q9p s TRP 42 Ca -0.07 -0.72 -0.00 0.00 -1.06 0.00 0.00 56.10 54.24 1q9p s TRP 42 Cb -0.09 -0.15 0.05 0.00 -1.16 0.00 0.00 33.47 32.12 1q9p s TRP 42 CO -0.05 -0.51 -0.05 0.15 -4.06 0.00 0.00 176.95 172.43 1q9p s LYS 43 N -3.89 1.41 0.04 3.25 1.02 -0.70 -4.96 119.74 115.92 1q9p s LYS 43 Ca 0.07 -0.61 -0.38 0.00 0.02 0.00 0.00 55.97 55.07 1q9p s LYS 43 Cb 0.06 -2.15 -0.17 0.00 -0.52 0.00 0.00 37.83 35.04 1q9p s LYS 43 CO -0.10 -0.49 1.34 -2.30 -0.92 0.00 0.00 175.35 172.88 1q9p n PRO 44 N 4.84 0.98 -3.92 -1.68 -0.02 -1.26 -2.45 135.00 131.50 1q9p n PRO 44 Ca -0.12 0.35 -0.10 0.00 -2.02 0.00 0.00 63.50 61.61 1q9p n PRO 44 Cb 0.47 -1.98 -0.12 0.00 -0.02 0.00 0.00 33.50 31.85 1q9p n PRO 44 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1q9p s LYS 45 N 0.67 0.26 0.03 -0.52 2.20 -0.67 -4.89 119.74 116.83 1q9p s LYS 45 Ca 0.87 -0.35 0.05 0.00 -0.36 0.00 0.00 55.97 56.18 1q9p s LYS 45 Cb -1.01 0.10 -0.02 0.00 -1.51 0.00 0.00 37.83 35.39 1q9p s LYS 45 CO 0.50 -0.05 -0.15 -1.64 -0.36 0.00 0.00 175.35 173.65 1q9p s MET 46 N -0.97 1.05 0.02 4.03 -1.94 -1.26 -1.20 119.30 119.03 1q9p s MET 46 Ca -0.11 -0.76 0.05 0.00 -1.71 0.00 0.00 55.69 53.16 1q9p s MET 46 Cb -0.06 -1.07 -0.02 0.00 2.01 0.00 0.00 34.83 35.69 1q9p s MET 46 CO -0.00 0.27 -0.14 -1.50 -0.01 0.00 0.00 175.02 173.63 1q9p s ILE 47 N -0.78 1.14 0.00 2.53 2.07 -1.07 -4.99 121.20 120.09 1q9p s ILE 47 Ca 0.03 -0.88 0.00 0.00 -1.41 0.00 0.00 60.65 58.39 1q9p s ILE 47 Cb -0.08 -1.01 0.00 0.00 0.13 0.00 0.00 42.46 41.51 1q9p s ILE 47 CO 0.01 0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.77 1q9p n GLY 48 N 2.17 0.40 0.00 1.50 0.00 -1.26 -2.46 105.19 105.53 1q9p n GLY 48 Ca -0.17 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 43.97 1q9p n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 49 N 0.67 2.14 0.36 -0.02 0.00 -0.52 -4.59 105.19 103.23 1q9p n GLY 49 Ca 0.00 0.01 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1q9p n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1q9p h ILE 50 N 0.00 1.06 0.00 -0.61 2.04 -2.03 -3.31 117.51 114.66 1q9p h ILE 50 Ca 0.00 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.55 1q9p h ILE 50 Cb 0.00 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.16 1q9p h ILE 50 CO 0.00 0.16 0.00 0.61 0.00 0.00 0.00 178.15 178.92 1q9p n GLY 51 N -1.42 -0.39 2.80 5.37 0.00 -1.26 -4.99 105.19 105.30 1q9p n GLY 51 Ca 0.11 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.94 1q9p n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1q9p n GLY 52 N 1.90 -0.71 0.00 -0.02 0.00 -1.25 -5.07 105.19 100.03 1q9p n GLY 52 Ca 0.00 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.22 1q9p n GLY 52 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1q9p n PHE 53 N -3.04 0.00 -4.18 1.61 7.35 -1.18 -1.44 117.46 116.58 1q9p n PHE 53 Ca 0.12 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.63 1q9p n PHE 53 Cb 0.42 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.13 1q9p n PHE 53 CO 0.00 0.00 0.00 -1.50 -0.76 0.00 0.00 176.76 174.50 1q9p s ILE 54 N 0.00 1.08 -0.25 -2.13 2.07 -1.03 -5.03 121.20 115.91 1q9p s ILE 54 Ca 0.00 -1.27 -0.11 0.00 -1.41 0.00 0.00 60.65 57.87 1q9p s ILE 54 Cb 0.00 -1.04 -0.05 0.00 0.13 0.00 0.00 42.46 41.50 1q9p s ILE 54 CO 0.00 -0.21 0.17 -0.54 -1.91 0.00 0.00 174.94 172.44 1q9p s LYS 55 N -1.68 4.01 0.27 3.50 1.02 -1.26 -2.61 119.74 122.99 1q9p s LYS 55 Ca -0.02 -0.30 0.05 0.00 0.02 0.00 0.00 55.97 55.72 1q9p s LYS 55 Cb -0.10 -3.57 -0.06 0.00 -0.52 0.00 0.00 37.83 33.59 1q9p s LYS 55 CO 0.02 -0.03 -0.02 0.14 -0.92 0.00 0.00 175.35 174.54 1q9p s VAL 56 N 1.32 1.37 -0.08 3.17 -7.23 -0.34 -4.86 120.40 113.75 1q9p s VAL 56 Ca 0.07 -2.07 0.00 0.00 -1.81 0.00 0.00 61.98 58.17 1q9p s VAL 56 Cb -0.14 -2.46 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 1q9p s VAL 56 CO 0.07 -0.27 -0.07 -0.13 -0.31 0.00 0.00 175.10 174.39 1q9p s ARG 57 N -3.80 2.85 -0.23 4.82 0.52 -1.00 -1.67 118.95 120.44 1q9p s ARG 57 Ca 0.30 -0.55 -0.08 0.00 -0.52 0.00 0.00 55.73 54.88 1q9p s ARG 57 Cb 0.05 -2.62 -0.04 0.00 0.52 0.00 0.00 34.95 32.87 1q9p s ARG 57 CO 0.11 0.61 0.08 -1.14 0.02 0.00 0.00 175.30 174.99 1q9p s GLN 58 N -0.66 3.80 -0.23 3.54 0.74 -1.02 -0.58 119.66 125.26 1q9p s GLN 58 Ca 0.10 -0.41 -0.05 0.00 0.05 0.00 0.00 55.36 55.04 1q9p s GLN 58 Cb -0.11 -3.33 -0.02 0.00 1.10 0.00 0.00 33.01 30.64 1q9p s GLN 58 CO 0.02 -0.03 0.01 0.71 -0.55 0.00 0.00 175.29 175.44 1q9p s TYR 59 N 1.23 3.03 0.18 1.67 1.51 -1.11 -1.72 117.35 122.14 1q9p s TYR 59 Ca 0.05 -0.61 0.07 0.00 -1.01 0.00 0.00 57.07 55.57 1q9p s TYR 59 Cb -0.14 -2.15 -0.04 0.00 -0.11 0.00 0.00 41.96 39.52 1q9p s TYR 59 CO 0.04 -0.39 0.04 -0.51 -1.11 0.00 0.00 175.55 173.62 1q9p s ASP 60 N 1.39 4.98 -0.27 2.29 1.01 -1.26 -2.08 116.67 122.73 1q9p s ASP 60 Ca 0.05 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.97 1q9p s ASP 60 Cb -0.15 -1.13 0.00 0.00 1.01 0.00 0.00 42.92 42.66 1q9p s ASP 60 CO 0.01 0.07 0.00 1.67 0.21 0.00 0.00 175.17 177.13 1q9p n GLN 61 N -0.31 -0.24 -4.45 8.23 -0.06 -1.26 -5.04 117.38 114.26 1q9p n GLN 61 Ca -0.09 0.23 -0.34 0.00 -2.00 0.00 0.00 57.00 54.80 1q9p n GLN 61 Cb 0.56 -3.89 -0.11 0.00 -4.06 0.00 0.00 30.24 22.73 1q9p n GLN 61 CO 0.00 0.00 0.00 0.42 -0.20 0.00 0.00 177.06 177.28 1q9p s ILE 62 N -2.15 4.03 0.09 1.69 -1.09 -1.26 -5.00 121.20 117.51 1q9p s ILE 62 Ca 0.00 -0.34 0.09 0.00 -2.23 0.00 0.00 60.65 58.17 1q9p s ILE 62 Cb 0.00 -2.70 -0.04 0.00 -1.58 0.00 0.00 42.46 38.14 1q9p s ILE 62 CO 0.00 0.57 -0.20 0.27 -1.23 0.00 0.00 174.94 174.35 1q9p s ILE 63 N -0.48 2.68 0.12 2.92 -4.36 -1.26 -2.69 121.20 118.13 1q9p s ILE 63 Ca 0.08 -1.42 0.02 0.00 -0.26 0.00 0.00 60.65 59.07 1q9p s ILE 63 Cb -0.12 -2.18 -0.04 0.00 1.25 0.00 0.00 42.46 41.37 1q9p s ILE 63 CO 0.02 0.20 -0.05 0.27 0.24 0.00 0.00 174.94 175.62 1q9p s ILE 64 N -1.03 0.73 -0.13 8.37 -4.36 -0.74 -4.91 121.20 119.12 1q9p s ILE 64 Ca 0.16 -1.96 0.02 0.00 -0.26 0.00 0.00 60.65 58.60 1q9p s ILE 64 Cb -0.10 -1.82 -0.00 0.00 1.25 0.00 0.00 42.46 41.79 1q9p s ILE 64 CO 0.07 -0.75 -0.19 -1.61 0.24 0.00 0.00 174.94 172.70 1q9p s GLU 65 N -3.85 3.16 -0.08 0.37 8.01 -0.93 -2.22 118.70 123.16 1q9p s GLU 65 Ca 0.16 -0.80 0.02 0.00 0.01 0.00 0.00 54.97 54.36 1q9p s GLU 65 Cb 0.05 -2.49 0.01 0.00 -4.31 0.00 0.00 34.13 27.39 1q9p s GLU 65 CO -0.02 0.10 -0.13 0.42 0.01 0.00 0.00 175.26 175.63 1q9p s ILE 66 N 0.59 1.28 0.00 -1.63 1.01 -0.73 -1.73 121.20 119.97 1q9p s ILE 66 Ca -0.11 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.01 1q9p s ILE 66 Cb -0.16 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.14 1q9p s ILE 66 CO 0.03 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.37 1q9p n ALA 67 N 4.02 0.00 -1.40 9.38 0.00 -1.26 -0.94 120.51 130.31 1q9p n ALA 67 Ca -0.21 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.23 1q9p n ALA 67 Cb 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1q9p n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q9p n GLY 68 N 0.00 0.37 3.13 0.00 0.00 -1.26 -5.07 105.19 102.35 1q9p n GLY 68 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 1q9p n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1q9p s HIS 69 N 0.00 1.37 -0.01 1.61 3.76 -0.11 -5.14 115.29 116.77 1q9p s HIS 69 Ca 0.00 -0.26 -0.05 0.00 -0.15 0.00 0.00 55.06 54.60 1q9p s HIS 69 Cb 0.00 -0.88 -0.04 0.00 1.11 0.00 0.00 32.58 32.76 1q9p s HIS 69 CO 0.00 -0.03 0.21 -1.59 -0.85 0.00 0.00 174.74 172.49 1q9p s LYS 70 N -0.35 3.49 -0.00 1.40 -2.85 -1.26 -1.78 119.74 118.39 1q9p s LYS 70 Ca 0.06 -0.21 -0.11 0.00 -1.00 0.00 0.00 55.97 54.71 1q9p s LYS 70 Cb -0.06 -3.09 0.01 0.00 -2.06 0.00 0.00 37.83 32.63 1q9p s LYS 70 CO -0.01 0.67 0.23 0.00 0.10 0.00 0.00 175.35 176.34 1q9p s ALA 71 N -1.30 -0.56 -0.04 0.59 0.00 -0.94 -5.01 121.76 114.51 1q9p s ALA 71 Ca 0.27 0.09 0.05 0.00 0.00 0.00 0.00 51.96 52.37 1q9p s ALA 71 Cb -0.13 0.10 -0.01 0.00 0.00 0.00 0.00 23.12 23.09 1q9p s ALA 71 CO 0.17 -0.24 -0.20 -1.50 0.00 0.00 0.00 175.76 173.99 1q9p s ILE 72 N -1.40 1.59 -0.25 0.00 2.07 -1.26 -1.80 121.20 120.16 1q9p s ILE 72 Ca -0.14 -0.83 0.00 0.00 -1.41 0.00 0.00 60.65 58.27 1q9p s ILE 72 Cb -0.06 -1.35 0.00 0.00 0.13 0.00 0.00 42.46 41.18 1q9p s ILE 72 CO 0.03 0.45 0.00 0.61 -1.91 0.00 0.00 174.94 174.12 1q9p n GLY 73 N 2.93 -1.20 3.74 1.50 0.00 -1.09 -5.03 105.19 106.03 1q9p n GLY 73 Ca -0.17 -0.96 -0.41 0.00 0.00 0.00 0.00 46.02 44.48 1q9p n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1q9p s THR 74 N -2.32 3.51 -0.30 2.61 2.01 -1.26 -4.04 115.64 115.85 1q9p s THR 74 Ca 0.00 1.31 -0.01 0.00 0.31 0.00 0.00 61.69 63.30 1q9p s THR 74 Cb 0.00 -3.84 0.10 0.00 0.01 0.00 0.00 72.50 68.77 1q9p s THR 74 CO 0.00 0.23 0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 1q9p s VAL 75 N -0.24 0.88 0.07 3.82 1.01 -0.88 -5.03 120.40 120.03 1q9p s VAL 75 Ca 0.52 -1.36 -0.31 0.00 0.00 0.00 0.00 61.98 60.83 1q9p s VAL 75 Cb -0.33 -1.65 -0.06 0.00 0.00 0.00 0.00 36.38 34.34 1q9p s VAL 75 CO 0.38 -0.65 1.23 -0.76 0.00 0.00 0.00 175.10 175.30 1q9p s LEU 76 N 1.62 4.37 -0.14 3.92 1.43 -1.25 -2.75 118.68 125.88 1q9p s LEU 76 Ca 0.09 2.06 -0.05 0.00 -1.03 0.00 0.00 54.13 55.19 1q9p s LEU 76 Cb -0.17 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.43 1q9p s LEU 76 CO -0.24 -0.50 0.04 -0.69 0.23 0.00 0.00 176.35 175.19 1q9p s VAL 77 N 1.11 4.62 0.23 -1.59 1.01 0.26 -1.83 120.40 124.21 1q9p s VAL 77 Ca 0.60 -0.11 0.09 0.00 0.00 0.00 0.00 61.98 62.56 1q9p s VAL 77 Cb -0.30 -3.03 -0.05 0.00 0.00 0.00 0.00 36.38 33.00 1q9p s VAL 77 CO 0.29 0.53 -0.16 -0.83 0.00 0.00 0.00 175.10 174.93 1q9p s GLY 78 N -0.20 1.59 0.57 4.51 0.00 -0.22 -2.37 107.32 111.20 1q9p s GLY 78 Ca 0.07 -1.74 0.35 0.00 0.00 0.00 0.00 44.72 43.40 1q9p s GLY 78 CO 0.02 -1.83 2.09 -0.56 0.00 0.00 0.00 173.10 172.81 1q9p h PRO 79 N 2.45 0.00 -6.84 2.90 0.13 -1.89 -3.31 132.00 125.44 1q9p h PRO 79 Ca -0.39 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.20 1q9p h PRO 79 Cb 1.23 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.46 1q9p h PRO 79 CO 0.62 0.03 0.83 -2.37 -0.23 0.00 0.00 178.00 176.87 1q9p n THR 80 N -3.17 1.40 0.70 1.56 5.66 -1.26 -4.82 114.28 114.36 1q9p n THR 80 Ca -0.01 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.64 1q9p n THR 80 Cb 0.24 -1.95 0.00 0.00 -1.55 0.00 0.00 70.33 67.08 1q9p n THR 80 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 175.07 171.21 1q9p n PRO 81 N 1.49 0.93 -4.33 1.09 -0.04 -1.26 -3.83 135.00 129.05 1q9p n PRO 81 Ca 0.06 0.00 -0.23 0.00 -0.04 0.00 0.00 63.50 63.29 1q9p n PRO 81 Cb 0.37 -1.04 -0.12 0.00 -0.04 0.00 0.00 33.50 32.68 1q9p n PRO 81 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1q9p s VAL 82 N 0.09 1.86 -0.23 0.52 1.01 -1.26 -4.93 120.40 117.46 1q9p s VAL 82 Ca 0.00 -1.80 0.02 0.00 0.00 0.00 0.00 61.98 60.20 1q9p s VAL 82 Cb 0.00 -1.79 0.05 0.00 0.00 0.00 0.00 36.38 34.64 1q9p s VAL 82 CO 0.00 -0.19 -0.13 0.20 0.00 0.00 0.00 175.10 174.98 1q9p s ASN 83 N -2.39 3.90 -0.01 3.32 0.02 -1.26 -1.91 114.94 116.60 1q9p s ASN 83 Ca 0.13 -1.10 0.04 0.00 -1.02 0.00 0.00 52.86 50.91 1q9p s ASN 83 Cb -0.08 -1.46 -0.01 0.00 0.02 0.00 0.00 41.25 39.72 1q9p s ASN 83 CO 0.06 -0.13 -0.14 -0.51 0.02 0.00 0.00 177.10 176.40 1q9p s ILE 84 N 1.21 1.08 0.02 0.60 2.07 -0.28 -1.55 121.20 124.35 1q9p s ILE 84 Ca -0.04 -0.58 0.08 0.00 -1.41 0.00 0.00 60.65 58.70 1q9p s ILE 84 Cb -0.17 -0.91 -0.03 0.00 0.13 0.00 0.00 42.46 41.48 1q9p s ILE 84 CO -0.08 0.31 -0.23 0.27 -1.91 0.00 0.00 174.94 173.30 1q9p s ILE 85 N -0.26 2.38 0.32 2.00 -4.36 -1.06 -2.04 121.20 118.18 1q9p s ILE 85 Ca 0.04 -1.19 0.05 0.00 -0.26 0.00 0.00 60.65 59.28 1q9p s ILE 85 Cb -0.06 -1.92 0.05 0.00 1.25 0.00 0.00 42.46 41.79 1q9p s ILE 85 CO -0.00 0.44 0.44 0.61 0.24 0.00 0.00 174.94 176.67 1q9p n GLY 86 N 1.96 1.86 0.25 6.27 0.00 -1.25 -1.08 105.19 113.21 1q9p n GLY 86 Ca -0.17 -2.17 0.17 0.00 0.00 0.00 0.00 46.02 43.86 1q9p n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1q9p h ARG 87 N 0.00 0.00 -0.71 1.61 2.47 -1.80 -2.12 114.38 113.84 1q9p h ARG 87 Ca -0.15 0.00 0.09 0.00 -1.26 0.00 0.00 59.98 58.66 1q9p h ARG 87 Cb 0.67 0.00 -0.07 0.00 -1.65 0.00 0.00 29.97 28.92 1q9p h ARG 87 CO 0.21 0.00 0.35 -0.97 0.56 0.00 0.00 179.97 180.12 1q9p h ASN 88 N 0.00 0.46 0.00 7.04 -1.24 -1.94 -0.77 115.58 119.13 1q9p h ASN 88 Ca 0.00 0.06 -0.38 0.00 0.71 0.00 0.00 56.30 56.69 1q9p h ASN 88 Cb 0.20 -0.02 -0.06 0.00 0.73 0.00 0.00 38.32 39.17 1q9p h ASN 88 CO 0.00 0.26 -2.36 0.18 -1.29 0.00 0.00 177.43 174.23 1q9p n LEU 89 N -4.86 2.51 -0.34 0.34 4.32 -1.11 -4.21 117.00 113.65 1q9p n LEU 89 Ca 0.11 0.04 0.06 0.00 -0.02 0.00 0.00 56.01 56.20 1q9p n LEU 89 Cb 0.27 -0.79 0.22 0.00 -1.62 0.00 0.00 43.42 41.51 1q9p n LEU 89 CO 0.25 0.75 1.20 0.25 -1.22 0.00 0.00 177.39 178.62 1q9p h LEU 90 N -0.35 0.84 -0.92 2.23 6.46 -1.45 -0.55 115.31 121.58 1q9p h LEU 90 Ca -0.57 0.05 -0.06 0.00 -0.12 0.00 0.00 57.88 57.18 1q9p h LEU 90 Cb 1.71 -0.11 -0.02 0.00 -0.73 0.00 0.00 40.66 41.50 1q9p h LEU 90 CO -0.20 0.45 0.08 0.74 -0.62 0.00 0.00 178.44 178.89 1q9p h THR 91 N 0.92 1.24 -0.75 1.05 2.02 -1.35 -2.74 112.91 113.31 1q9p h THR 91 Ca 0.48 -0.93 0.11 0.00 0.77 0.00 0.00 66.41 66.83 1q9p h THR 91 Cb 0.48 0.74 -0.05 0.00 -1.74 0.00 0.00 68.15 67.58 1q9p h THR 91 CO -0.27 0.34 0.49 -0.61 0.37 0.00 0.00 175.52 175.84 1q9p h GLN 92 N 0.83 0.56 -0.13 6.66 4.15 -1.27 0.10 115.11 126.01 1q9p h GLN 92 Ca 0.17 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.60 1q9p h GLN 92 Cb 0.38 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.94 1q9p h GLN 92 CO 0.01 0.37 0.15 0.97 -1.93 0.00 0.00 178.83 178.40 1q9p h ILE 93 N 0.58 0.46 0.00 2.39 2.10 -1.35 -3.48 117.51 118.21 1q9p h ILE 93 Ca 0.35 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.29 1q9p h ILE 93 Cb 0.59 0.87 0.00 0.00 -1.09 0.00 0.00 36.82 37.20 1q9p h ILE 93 CO -0.13 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 177.55 1q9p n GLY 94 N -1.37 -1.83 0.00 8.18 0.00 0.02 -5.15 105.19 105.04 1q9p n GLY 94 Ca 0.00 -1.59 0.14 0.00 0.00 0.00 0.00 46.02 44.57 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32