#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q9p s GLN 2 N 0.00 2.02 0.15 -0.52 -0.21 -1.26 -5.14 119.66 114.71 1q9p s GLN 2 Ca 0.00 -1.07 0.09 0.00 0.02 0.00 0.00 55.36 54.40 1q9p s GLN 2 Cb 0.00 -2.24 -0.04 0.00 1.00 0.00 0.00 33.01 31.73 1q9p s GLN 2 CO 0.00 0.50 -0.20 0.96 -2.12 0.00 0.00 175.29 174.44 1q9p s ILE 3 N -1.17 1.87 -0.94 1.08 -4.36 -1.26 -5.04 121.20 111.38 1q9p s ILE 3 Ca 0.20 -1.85 0.11 0.00 -0.26 0.00 0.00 60.65 58.85 1q9p s ILE 3 Cb -0.11 -1.82 -0.02 0.00 1.25 0.00 0.00 42.46 41.76 1q9p s ILE 3 CO 0.12 -0.23 0.64 0.35 0.24 0.00 0.00 174.94 176.06 1q9p n THR 4 N 0.47 0.00 0.16 8.37 -2.24 -1.26 -4.47 114.28 115.31 1q9p n THR 4 Ca -0.15 -0.36 0.01 0.00 -2.27 0.00 0.00 64.05 61.28 1q9p n THR 4 Cb 0.56 1.11 0.31 0.00 -2.10 0.00 0.00 70.33 70.21 1q9p n THR 4 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1q9p h LEU 5 N 1.05 0.05 -2.09 3.22 8.10 -2.04 -2.60 115.31 121.00 1q9p h LEU 5 Ca 0.00 -0.02 0.09 0.00 0.11 0.00 0.00 57.88 58.06 1q9p h LEU 5 Cb 0.36 -0.01 -0.01 0.00 -0.44 0.00 0.00 40.66 40.55 1q9p h LEU 5 CO 0.00 0.45 0.31 4.11 -4.11 0.00 0.00 178.44 179.20 1q9p h TRP 6 N 0.05 0.00 -0.64 0.17 5.08 -2.03 -0.59 115.95 117.99 1q9p h TRP 6 Ca 0.00 0.00 -0.03 0.00 1.08 0.00 0.00 58.89 59.94 1q9p h TRP 6 Cb 0.73 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.86 1q9p h TRP 6 CO 0.00 0.00 0.28 0.87 -1.28 0.00 0.00 178.44 178.32 1q9p h LYS 7 N 0.00 0.92 -0.29 0.12 1.57 -1.78 -3.21 116.57 113.90 1q9p h LYS 7 Ca 0.15 -0.13 0.04 0.00 -1.87 0.00 0.00 60.65 58.84 1q9p h LYS 7 Cb 0.78 -0.17 -0.07 0.00 0.08 0.00 0.00 32.23 32.86 1q9p h LYS 7 CO -0.00 0.73 -0.47 0.00 -0.57 0.00 0.00 179.45 179.14 1q9p h ARG 8 N 0.91 -0.36 0.00 3.15 -0.00 -1.28 0.13 114.38 116.93 1q9p h ARG 8 Ca 0.22 0.02 0.00 0.00 -0.50 0.00 0.00 59.98 59.72 1q9p h ARG 8 Cb 0.13 0.08 0.00 0.00 0.00 0.00 0.00 29.97 30.18 1q9p h ARG 8 CO -0.02 -0.24 0.75 -2.30 0.00 0.00 0.00 179.97 178.16 1q9p n PRO 9 N -4.94 0.02 -2.93 0.04 -0.02 -1.21 -4.31 135.00 121.65 1q9p n PRO 9 Ca -0.03 0.58 -0.40 0.00 -2.02 0.00 0.00 63.50 61.63 1q9p n PRO 9 Cb 0.29 -2.11 -0.04 0.00 -0.02 0.00 0.00 33.50 31.62 1q9p n PRO 9 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1q9p s LEU 10 N -3.68 4.35 -0.09 2.45 2.96 0.43 -4.97 118.68 120.14 1q9p s LEU 10 Ca 0.00 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.30 1q9p s LEU 10 Cb 0.00 -3.26 -0.02 0.00 0.50 0.00 0.00 46.19 43.41 1q9p s LEU 10 CO 0.00 -0.14 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.06 1q9p s VAL 11 N 0.73 3.04 -0.17 1.68 1.01 -1.26 -5.07 120.40 120.36 1q9p s VAL 11 Ca 0.42 -0.70 -0.10 0.00 0.00 0.00 0.00 61.98 61.60 1q9p s VAL 11 Cb -0.19 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 33.91 1q9p s VAL 11 CO 0.22 0.56 0.15 -0.89 0.00 0.00 0.00 175.10 175.14 1q9p s THR 12 N -0.21 5.41 0.24 3.92 2.01 -1.26 -3.67 115.64 122.08 1q9p s THR 12 Ca 0.01 0.25 0.07 0.00 0.31 0.00 0.00 61.69 62.32 1q9p s THR 12 Cb -0.13 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.85 1q9p s THR 12 CO 0.03 0.48 -0.11 0.27 -0.69 0.00 0.00 174.62 174.60 1q9p s ILE 13 N 0.02 1.69 -0.07 1.82 -4.36 -0.82 -4.19 121.20 115.29 1q9p s ILE 13 Ca 0.11 -2.18 -0.01 0.00 -0.26 0.00 0.00 60.65 58.31 1q9p s ILE 13 Cb -0.12 -2.22 0.03 0.00 1.25 0.00 0.00 42.46 41.40 1q9p s ILE 13 CO 0.00 -0.46 -0.01 -0.75 0.24 0.00 0.00 174.94 173.96 1q9p s LYS 14 N -3.68 0.73 -0.03 0.37 2.20 -1.07 -2.50 119.74 115.75 1q9p s LYS 14 Ca 0.26 0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.87 1q9p s LYS 14 Cb 0.01 -1.00 0.01 0.00 -1.51 0.00 0.00 37.83 35.34 1q9p s LYS 14 CO 0.09 -0.26 0.09 0.96 -0.36 0.00 0.00 175.35 175.87 1q9p s ILE 15 N 1.75 -0.00 0.00 5.43 -4.36 -0.96 -2.09 121.20 120.96 1q9p s ILE 15 Ca 0.02 0.00 0.00 0.00 -0.26 0.00 0.00 60.65 60.41 1q9p s ILE 15 Cb -0.13 -0.13 0.00 0.00 1.25 0.00 0.00 42.46 43.45 1q9p s ILE 15 CO -0.05 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.75 1q9p n GLY 16 N 3.06 0.29 1.24 6.27 0.00 -1.26 -1.59 105.19 113.20 1q9p n GLY 16 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.16 0.74 3.76 -0.02 0.00 -1.26 -5.05 105.19 102.19 1q9p n GLY 17 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.55 2.81 -0.20 1.61 -1.52 -0.62 -5.10 119.66 116.09 1q9p s GLN 18 Ca 0.00 -0.73 -0.14 0.00 -1.95 0.00 0.00 55.36 52.54 1q9p s GLN 18 Cb 0.00 -2.68 -0.04 0.00 -0.22 0.00 0.00 33.01 30.06 1q9p s GLN 18 CO 0.00 0.56 0.29 -0.51 -0.25 0.00 0.00 175.29 175.38 1q9p s LEU 19 N -2.42 4.17 0.16 2.90 1.43 -1.26 -2.28 118.68 121.40 1q9p s LEU 19 Ca 0.29 0.40 -0.08 0.00 -1.03 0.00 0.00 54.13 53.70 1q9p s LEU 19 Cb -0.12 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.74 1q9p s LEU 19 CO 0.21 0.02 0.25 -0.54 0.23 0.00 0.00 176.35 176.53 1q9p s LYS 20 N 0.95 1.14 0.07 1.70 1.02 -1.04 -5.04 119.74 118.54 1q9p s LYS 20 Ca 0.15 -1.23 0.09 0.00 0.02 0.00 0.00 55.97 54.99 1q9p s LYS 20 Cb -0.14 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.50 1q9p s LYS 20 CO 0.05 -0.41 -0.21 -1.21 -0.92 0.00 0.00 175.35 172.65 1q9p s GLU 21 N -3.99 1.83 0.03 1.68 8.01 -1.26 -1.95 118.70 123.05 1q9p s GLU 21 Ca 0.19 -1.12 -0.06 0.00 0.01 0.00 0.00 54.97 54.00 1q9p s GLU 21 Cb 0.04 -2.08 -0.01 0.00 -4.31 0.00 0.00 34.13 27.77 1q9p s GLU 21 CO 0.01 0.51 0.10 0.00 0.01 0.00 0.00 175.26 175.88 1q9p s ALA 22 N -0.97 -0.12 -0.10 5.21 0.00 -1.24 -4.64 121.76 119.90 1q9p s ALA 22 Ca 0.15 -0.45 -0.11 0.00 0.00 0.00 0.00 51.96 51.55 1q9p s ALA 22 Cb -0.10 0.21 -0.05 0.00 0.00 0.00 0.00 23.12 23.18 1q9p s ALA 22 CO 0.06 -0.28 0.25 -0.51 0.00 0.00 0.00 175.76 175.28 1q9p s LEU 23 N -1.89 4.36 -0.24 0.00 1.43 -1.02 -4.43 118.68 116.90 1q9p s LEU 23 Ca -0.08 0.60 -0.12 0.00 -1.03 0.00 0.00 54.13 53.50 1q9p s LEU 23 Cb -0.03 -2.29 -0.05 0.00 0.03 0.00 0.00 46.19 43.85 1q9p s LEU 23 CO -0.03 0.29 0.21 -0.76 0.23 0.00 0.00 176.35 176.30 1q9p s LEU 24 N -0.57 4.11 -0.16 1.79 1.02 -1.26 -2.45 118.68 121.15 1q9p s LEU 24 Ca 0.17 0.17 -0.33 0.00 0.02 0.00 0.00 54.13 54.17 1q9p s LEU 24 Cb -0.13 -2.19 0.14 0.00 0.02 0.00 0.00 46.19 44.03 1q9p s LEU 24 CO 0.06 0.02 1.14 -0.62 0.02 0.00 0.00 176.35 176.98 1q9p s ASP 25 N 1.14 -0.20 0.00 2.29 2.15 -1.01 -4.96 116.67 116.08 1q9p s ASP 25 Ca 0.10 0.06 0.00 0.00 0.43 0.00 0.00 52.55 53.14 1q9p s ASP 25 Cb -0.14 0.19 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 1q9p s ASP 25 CO 0.06 -0.29 0.00 0.41 -0.17 0.00 0.00 175.17 175.18 1q9p n THR 26 N 0.06 0.00 -1.13 1.71 -1.04 -1.26 -3.81 114.28 108.81 1q9p n THR 26 Ca -0.03 0.00 -0.07 0.00 -2.04 0.00 0.00 64.05 61.91 1q9p n THR 26 Cb 0.59 -0.02 -0.03 0.00 -1.82 0.00 0.00 70.33 69.05 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 4.63 0.67 3.64 3.41 0.00 -1.26 -4.75 105.19 111.53 1q9p n GLY 27 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.52 -1.89 0.22 4.61 0.00 -1.26 -5.04 121.76 116.89 1q9p s ALA 28 Ca 0.00 2.15 -0.07 0.00 0.00 0.00 0.00 51.96 54.04 1q9p s ALA 28 Cb 0.00 -1.35 0.19 0.00 0.00 0.00 0.00 23.12 21.96 1q9p s ALA 28 CO 0.00 -0.34 1.82 -0.44 0.00 0.00 0.00 175.76 176.81 1q9p h ASP 29 N 5.62 1.12 -3.21 0.00 3.32 -1.99 -3.37 116.42 117.91 1q9p h ASP 29 Ca -0.29 -0.13 -0.47 0.00 0.02 0.00 0.00 57.03 56.16 1q9p h ASP 29 Cb 1.19 -0.29 -0.14 0.00 0.22 0.00 0.00 39.33 40.31 1q9p h ASP 29 CO 0.11 0.94 -0.63 -1.81 -1.72 0.00 0.00 179.24 176.12 1q9p s ASP 30 N -6.29 2.44 0.14 6.45 1.01 -1.26 -4.28 116.67 114.89 1q9p s ASP 30 Ca -0.13 -1.30 -0.28 0.00 0.71 0.00 0.00 52.55 51.55 1q9p s ASP 30 Cb 0.16 -0.10 -0.07 0.00 1.01 0.00 0.00 42.92 43.92 1q9p s ASP 30 CO 0.83 -0.52 0.88 -0.89 0.21 0.00 0.00 175.17 175.69 1q9p s THR 31 N -3.22 4.41 0.02 -1.27 2.01 -1.26 -4.31 115.64 112.01 1q9p s THR 31 Ca 0.33 1.92 0.03 0.00 0.31 0.00 0.00 61.69 64.28 1q9p s THR 31 Cb 0.07 -4.25 -0.02 0.00 0.01 0.00 0.00 72.50 68.32 1q9p s THR 31 CO 0.14 0.42 -0.10 0.68 -0.69 0.00 0.00 174.62 175.06 1q9p s VAL 32 N -0.55 0.77 0.13 3.82 -7.23 -0.97 -3.29 120.40 113.09 1q9p s VAL 32 Ca 0.41 -0.77 0.05 0.00 -1.81 0.00 0.00 61.98 59.86 1q9p s VAL 32 Cb -0.23 -0.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.95 1q9p s VAL 32 CO 0.28 -0.04 -0.12 0.27 -0.31 0.00 0.00 175.10 175.19 1q9p s ILE 33 N -0.74 1.20 0.96 -0.62 -4.36 -0.50 -1.83 121.20 115.32 1q9p s ILE 33 Ca -0.01 -1.88 -0.11 0.00 -0.26 0.00 0.00 60.65 58.39 1q9p s ILE 33 Cb -0.07 -1.66 0.17 0.00 1.25 0.00 0.00 42.46 42.15 1q9p s ILE 33 CO 0.00 -0.60 1.09 -1.83 0.24 0.00 0.00 174.94 173.84 1q9p s GLU 34 N -3.23 0.72 0.09 0.37 -1.05 -0.81 -0.27 118.70 114.53 1q9p s GLU 34 Ca 0.12 1.05 -0.20 0.00 -0.15 0.00 0.00 54.97 55.80 1q9p s GLU 34 Cb -0.01 -1.73 -0.07 0.00 -0.44 0.00 0.00 34.13 31.88 1q9p s GLU 34 CO 0.02 -2.67 0.59 -2.00 0.95 0.00 0.00 175.26 172.15 1q9p s GLU 35 N -4.74 4.23 0.00 -4.83 2.12 0.38 -4.54 118.70 111.33 1q9p s GLU 35 Ca 0.65 0.78 0.00 0.00 0.36 0.00 0.00 54.97 56.76 1q9p s GLU 35 Cb -0.21 -3.22 0.00 0.00 0.26 0.00 0.00 34.13 30.96 1q9p s GLU 35 CO 0.59 0.62 0.00 -1.33 -0.54 0.00 0.00 175.26 174.60 1q9p n MET 36 N 1.65 0.00 0.00 4.30 2.81 -1.26 -5.01 117.12 119.61 1q9p n MET 36 Ca -0.10 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 55.79 1q9p n MET 36 Cb 0.51 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.02 1q9p n MET 36 CO 0.00 0.00 0.00 0.45 1.51 0.00 0.00 175.97 177.93 1q9p n SER 37 N -1.63 0.00 -3.95 7.83 2.88 -1.26 -5.12 113.62 112.37 1q9p n SER 37 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1q9p n SER 37 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 64.21 63.32 1q9p n SER 37 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1q9p s LEU 38 N 0.00 4.32 0.75 2.46 1.02 -1.26 -5.11 118.68 120.86 1q9p s LEU 38 Ca 0.00 -3.03 -0.16 0.00 0.02 0.00 0.00 54.13 50.96 1q9p s LEU 38 Cb 0.00 -1.64 -0.06 0.00 0.02 0.00 0.00 46.19 44.50 1q9p s LEU 38 CO 0.00 -0.23 0.24 -2.65 0.02 0.00 0.00 176.35 173.73 1q9p n PRO 39 N 3.09 0.16 0.00 1.29 -0.02 -1.26 -4.67 135.00 133.59 1q9p n PRO 39 Ca 0.05 0.08 0.00 0.00 -2.02 0.00 0.00 63.50 61.62 1q9p n PRO 39 Cb 0.32 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 32.21 1q9p n PRO 39 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1q9p n GLY 40 N 2.02 0.51 3.48 -1.23 0.00 -1.26 -5.00 105.19 103.72 1q9p n GLY 40 Ca 0.08 -1.77 -0.30 0.00 0.00 0.00 0.00 46.02 44.04 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 0.00 1.85 0.26 1.61 0.52 -1.26 -5.14 118.95 116.80 1q9p s ARG 41 Ca 0.00 -1.13 0.08 0.00 -0.52 0.00 0.00 55.73 54.16 1q9p s ARG 41 Cb 0.00 -2.13 -0.04 0.00 0.52 0.00 0.00 34.95 33.30 1q9p s ARG 41 CO 0.00 0.49 0.10 1.67 0.02 0.00 0.00 175.30 177.58 1q9p s TRP 42 N -1.10 2.88 -0.58 -0.53 1.48 -1.26 -4.93 118.94 114.90 1q9p s TRP 42 Ca 0.17 -0.18 -0.00 0.00 -1.06 0.00 0.00 56.10 55.03 1q9p s TRP 42 Cb -0.11 -1.31 0.15 0.00 -1.16 0.00 0.00 33.47 31.04 1q9p s TRP 42 CO 0.09 0.56 0.37 0.15 -4.06 0.00 0.00 176.95 174.06 1q9p s LYS 43 N -3.76 2.33 0.27 3.25 1.02 -0.99 -4.99 119.74 116.88 1q9p s LYS 43 Ca 0.32 -2.57 -0.30 0.00 0.02 0.00 0.00 55.97 53.45 1q9p s LYS 43 Cb -0.07 -3.57 -0.14 0.00 -0.52 0.00 0.00 37.83 33.54 1q9p s LYS 43 CO 0.22 -1.15 1.24 -2.30 -0.92 0.00 0.00 175.35 172.45 1q9p n PRO 44 N 3.33 1.77 -3.82 -1.68 -0.02 -1.26 -2.53 135.00 130.79 1q9p n PRO 44 Ca 0.07 0.63 -0.12 0.00 -2.02 0.00 0.00 63.50 62.06 1q9p n PRO 44 Cb 0.36 -2.17 -0.09 0.00 -0.02 0.00 0.00 33.50 31.58 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 -1.07 0.60 -0.13 -0.52 2.20 0.22 -4.94 119.74 116.11 1q9p s LYS 45 Ca 0.63 -0.37 -0.02 0.00 -0.36 0.00 0.00 55.97 55.85 1q9p s LYS 45 Cb -0.67 0.26 -0.03 0.00 -1.51 0.00 0.00 37.83 35.88 1q9p s LYS 45 CO 0.56 -0.16 -0.06 1.41 -0.36 0.00 0.00 175.35 176.74 1q9p s MET 46 N -1.63 3.36 0.01 4.03 -2.45 -1.26 0.10 119.30 121.47 1q9p s MET 46 Ca -0.12 -0.55 0.04 0.00 -1.25 0.00 0.00 55.69 53.81 1q9p s MET 46 Cb -0.05 -2.78 -0.02 0.00 1.25 0.00 0.00 34.83 33.23 1q9p s MET 46 CO 0.01 0.37 -0.14 -1.50 1.05 0.00 0.00 175.02 174.81 1q9p s ILE 47 N 0.01 1.08 -0.56 10.11 2.07 -0.72 -4.92 121.20 128.26 1q9p s ILE 47 Ca -0.00 -0.75 -0.25 0.00 -1.41 0.00 0.00 60.65 58.23 1q9p s ILE 47 Cb -0.13 -0.93 0.04 0.00 0.13 0.00 0.00 42.46 41.56 1q9p s ILE 47 CO 0.03 0.17 1.01 -0.83 -1.91 0.00 0.00 174.94 173.42 1q9p s GLY 48 N -0.67 1.33 0.62 1.50 0.00 -1.26 -1.92 107.32 106.92 1q9p s GLY 48 Ca 0.04 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.63 1q9p s GLY 48 CO 0.00 2.18 0.87 -0.32 0.00 0.00 0.00 173.10 175.83 1q9p s GLY 49 N 2.89 1.79 0.13 0.20 0.00 0.36 -4.97 107.32 107.71 1q9p s GLY 49 Ca 0.34 -1.45 -0.19 0.00 0.00 0.00 0.00 44.72 43.42 1q9p s GLY 49 CO 0.21 -1.06 1.76 -2.22 0.00 0.00 0.00 173.10 171.79 1q9p h ILE 50 N -0.18 1.08 -0.55 0.90 1.08 -2.01 -2.46 117.51 115.37 1q9p h ILE 50 Ca -0.40 -0.19 -0.02 0.00 -0.39 0.00 0.00 64.86 63.86 1q9p h ILE 50 Cb 1.29 0.75 -0.03 0.00 -3.07 0.00 0.00 36.82 35.77 1q9p h ILE 50 CO 0.48 0.08 0.24 1.23 -0.69 0.00 0.00 178.15 179.50 1q9p h GLY 51 N 0.33 0.84 0.00 5.37 0.00 -2.01 -3.48 103.07 104.11 1q9p h GLY 51 Ca 0.09 -0.40 0.00 0.00 0.00 0.00 0.00 47.33 47.02 1q9p h GLY 51 CO -0.02 0.38 0.00 0.61 0.00 0.00 0.00 176.54 177.52 1q9p n GLY 52 N -1.13 -0.50 3.46 4.60 0.00 -0.93 -5.12 105.19 105.58 1q9p n GLY 52 Ca 0.05 0.10 -0.33 0.00 0.00 0.00 0.00 46.02 45.84 1q9p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q9p s PHE 53 N 0.00 2.96 0.05 1.61 0.08 -1.26 0.14 117.98 121.56 1q9p s PHE 53 Ca 0.00 -0.39 0.05 0.00 0.12 0.00 0.00 56.93 56.70 1q9p s PHE 53 Cb 0.00 -1.92 -0.03 0.00 -0.57 0.00 0.00 43.02 40.51 1q9p s PHE 53 CO 0.00 -0.08 -0.14 -1.50 -0.10 0.00 0.00 175.22 173.40 1q9p s ILE 54 N 0.34 1.08 -0.12 0.64 1.10 -0.81 -4.91 121.20 118.52 1q9p s ILE 54 Ca -0.06 -1.14 -0.23 0.00 -0.51 0.00 0.00 60.65 58.71 1q9p s ILE 54 Cb -0.15 -1.02 -0.03 0.00 0.15 0.00 0.00 42.46 41.42 1q9p s ILE 54 CO 0.04 -0.12 0.69 -0.75 -2.11 0.00 0.00 174.94 172.69 1q9p s LYS 55 N -1.44 4.35 0.03 3.50 2.20 -1.26 -1.76 119.74 125.36 1q9p s LYS 55 Ca -0.01 0.81 0.07 0.00 -0.36 0.00 0.00 55.97 56.48 1q9p s LYS 55 Cb -0.09 -3.50 -0.02 0.00 -1.51 0.00 0.00 37.83 32.71 1q9p s LYS 55 CO 0.02 -0.07 -0.21 0.54 -0.36 0.00 0.00 175.35 175.27 1q9p s VAL 56 N 1.30 1.64 0.12 4.02 0.11 0.29 -4.90 120.40 122.98 1q9p s VAL 56 Ca 0.35 -1.13 0.06 0.00 -2.93 0.00 0.00 61.98 58.33 1q9p s VAL 56 Cb -0.17 -1.42 -0.04 0.00 -1.53 0.00 0.00 36.38 33.22 1q9p s VAL 56 CO 0.15 0.25 -0.02 -0.13 -3.33 0.00 0.00 175.10 172.02 1q9p s ARG 57 N -1.03 2.43 0.09 1.54 0.52 -0.70 0.72 118.95 122.52 1q9p s ARG 57 Ca 0.07 -0.95 0.02 0.00 -0.52 0.00 0.00 55.73 54.35 1q9p s ARG 57 Cb -0.09 -2.45 -0.04 0.00 0.52 0.00 0.00 34.95 32.90 1q9p s ARG 57 CO 0.01 0.51 -0.07 1.14 0.02 0.00 0.00 175.30 176.91 1q9p s GLN 58 N -2.47 0.79 -0.08 3.54 -2.07 -1.05 0.22 119.66 118.53 1q9p s GLN 58 Ca 0.25 -1.25 0.04 0.00 -1.82 0.00 0.00 55.36 52.58 1q9p s GLN 58 Cb -0.11 -0.21 -0.01 0.00 -1.09 0.00 0.00 33.01 31.59 1q9p s GLN 58 CO 0.18 -0.01 -0.22 -0.47 -1.32 0.00 0.00 175.29 173.44 1q9p s TYR 59 N -3.31 2.55 0.20 9.60 6.14 -1.10 -2.33 117.35 129.11 1q9p s TYR 59 Ca 0.09 -0.80 0.08 0.00 0.64 0.00 0.00 57.07 57.07 1q9p s TYR 59 Cb 0.03 -1.68 -0.04 0.00 0.42 0.00 0.00 41.96 40.69 1q9p s TYR 59 CO -0.04 -0.27 0.03 -0.51 0.64 0.00 0.00 175.55 175.40 1q9p s ASP 60 N 0.06 4.85 -1.07 4.32 1.01 -1.26 -2.22 116.67 122.37 1q9p s ASP 60 Ca -0.10 -0.42 -0.02 0.00 0.71 0.00 0.00 52.55 52.73 1q9p s ASP 60 Cb -0.15 -1.05 0.00 0.00 1.01 0.00 0.00 42.92 42.73 1q9p s ASP 60 CO 0.06 0.05 0.25 1.67 0.21 0.00 0.00 175.17 177.41 1q9p n GLN 61 N -0.43 -2.39 -4.51 8.23 -0.06 -1.26 -5.01 117.38 111.94 1q9p n GLN 61 Ca -0.09 0.62 -0.33 0.00 -2.00 0.00 0.00 57.00 55.20 1q9p n GLN 61 Cb 0.56 -4.84 -0.11 0.00 -4.06 0.00 0.00 30.24 21.80 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 -0.20 0.00 0.00 177.06 175.36 1q9p s ILE 62 N -2.85 3.69 -0.10 1.69 2.07 -1.25 -5.00 121.20 119.45 1q9p s ILE 62 Ca 0.12 -0.66 -0.01 0.00 -1.41 0.00 0.00 60.65 58.69 1q9p s ILE 62 Cb -0.05 -2.57 -0.03 0.00 0.13 0.00 0.00 42.46 39.94 1q9p s ILE 62 CO 0.15 0.47 -0.05 -0.63 -1.91 0.00 0.00 174.94 172.97 1q9p s ILE 63 N -0.93 3.86 0.12 2.00 1.01 -1.26 -2.70 121.20 123.30 1q9p s ILE 63 Ca 0.15 -0.40 0.07 0.00 0.00 0.00 0.00 60.65 60.47 1q9p s ILE 63 Cb -0.11 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1q9p s ILE 63 CO 0.05 0.57 -0.16 0.27 0.00 0.00 0.00 174.94 175.67 1q9p s ILE 64 N -0.43 1.46 -0.19 2.92 -4.36 -0.68 -4.56 121.20 115.36 1q9p s ILE 64 Ca 0.07 -1.66 -0.03 0.00 -0.26 0.00 0.00 60.65 58.78 1q9p s ILE 64 Cb -0.12 -1.52 -0.01 0.00 1.25 0.00 0.00 42.46 42.06 1q9p s ILE 64 CO 0.02 -0.30 -0.07 -1.61 0.24 0.00 0.00 174.94 173.22 1q9p s GLU 65 N -2.40 3.37 -0.15 0.37 2.02 -0.89 -2.28 118.70 118.74 1q9p s GLU 65 Ca 0.08 -0.65 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1q9p s GLU 65 Cb -0.07 -2.88 0.02 0.00 0.10 0.00 0.00 34.13 31.30 1q9p s GLU 65 CO 0.04 -0.07 -0.19 0.42 0.02 0.00 0.00 175.26 175.48 1q9p s ILE 66 N 1.13 1.90 0.00 -1.63 -1.09 -0.98 -2.61 121.20 117.91 1q9p s ILE 66 Ca 0.01 -0.85 0.00 0.00 -2.23 0.00 0.00 60.65 57.58 1q9p s ILE 66 Cb -0.14 -1.71 0.00 0.00 -1.58 0.00 0.00 42.46 39.02 1q9p s ILE 66 CO -0.02 0.52 0.00 0.00 -1.23 0.00 0.00 174.94 174.21 1q9p n ALA 67 N 4.45 0.00 0.00 9.38 0.00 -1.26 -1.26 120.51 131.82 1q9p n ALA 67 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.24 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 0.00 3.14 0.00 0.00 -1.26 -5.07 105.19 102.00 1q9p n GLY 68 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1q9p n GLY 68 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1q9p s HIS 69 N 0.00 1.42 -0.19 1.61 5.65 -0.39 -5.12 115.29 118.27 1q9p s HIS 69 Ca 0.00 -0.27 -0.20 0.00 0.25 0.00 0.00 55.06 54.84 1q9p s HIS 69 Cb 0.00 -0.91 -0.03 0.00 -1.18 0.00 0.00 32.58 30.46 1q9p s HIS 69 CO 0.00 -0.02 0.57 0.15 -0.65 0.00 0.00 174.74 174.79 1q9p s LYS 70 N -0.37 4.22 0.01 2.88 1.02 -1.26 -2.33 119.74 123.91 1q9p s LYS 70 Ca 0.06 0.52 0.04 0.00 0.02 0.00 0.00 55.97 56.62 1q9p s LYS 70 Cb -0.06 -3.56 -0.01 0.00 -0.52 0.00 0.00 37.83 33.67 1q9p s LYS 70 CO -0.01 -0.17 -0.13 0.00 -0.92 0.00 0.00 175.35 174.13 1q9p s ALA 71 N 1.68 1.06 -0.06 5.17 0.00 -0.97 -4.99 121.76 123.67 1q9p s ALA 71 Ca 0.27 -0.66 0.04 0.00 0.00 0.00 0.00 51.96 51.62 1q9p s ALA 71 Cb -0.16 -0.22 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 1q9p s ALA 71 CO 0.10 0.23 -0.19 0.96 0.00 0.00 0.00 175.76 176.86 1q9p s ILE 72 N -0.55 1.63 -1.63 0.00 -4.36 -1.26 -1.68 121.20 113.35 1q9p s ILE 72 Ca 0.03 -0.81 0.00 0.00 -0.26 0.00 0.00 60.65 59.61 1q9p s ILE 72 Cb -0.06 -1.40 0.00 0.00 1.25 0.00 0.00 42.46 42.25 1q9p s ILE 72 CO 0.00 0.46 0.00 0.61 0.24 0.00 0.00 174.94 176.26 1q9p n GLY 73 N 3.23 -1.55 3.77 6.27 0.00 -1.10 -5.03 105.19 110.78 1q9p n GLY 73 Ca -0.19 -1.05 -0.38 0.00 0.00 0.00 0.00 46.02 44.40 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 -2.34 3.98 -0.29 2.61 2.01 -1.26 -3.93 115.64 116.41 1q9p s THR 74 Ca 0.00 1.71 -0.03 0.00 0.31 0.00 0.00 61.69 63.69 1q9p s THR 74 Cb 0.00 -3.98 0.10 0.00 0.01 0.00 0.00 72.50 68.62 1q9p s THR 74 CO 0.00 0.20 0.11 0.54 -0.69 0.00 0.00 174.62 174.78 1q9p s VAL 75 N -1.49 0.33 0.31 3.82 0.11 -0.94 -4.91 120.40 117.63 1q9p s VAL 75 Ca 0.49 -1.00 -0.29 0.00 -2.93 0.00 0.00 61.98 58.25 1q9p s VAL 75 Cb -0.22 -1.25 -0.11 0.00 -1.53 0.00 0.00 36.38 33.27 1q9p s VAL 75 CO 0.28 -0.68 1.50 -0.76 -3.33 0.00 0.00 175.10 172.11 1q9p s LEU 76 N 1.90 4.35 -0.12 2.54 1.02 -1.21 -2.69 118.68 124.48 1q9p s LEU 76 Ca 0.09 2.89 0.02 0.00 0.02 0.00 0.00 54.13 57.15 1q9p s LEU 76 Cb -0.17 -3.64 -0.01 0.00 0.02 0.00 0.00 46.19 42.39 1q9p s LEU 76 CO -0.31 -0.81 -0.18 -0.69 0.02 0.00 0.00 176.35 174.38 1q9p s VAL 77 N -0.48 2.62 0.18 -1.59 1.01 0.60 -1.40 120.40 121.34 1q9p s VAL 77 Ca 0.58 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.75 1q9p s VAL 77 Cb -0.45 -2.06 -0.05 0.00 0.00 0.00 0.00 36.38 33.82 1q9p s VAL 77 CO 0.52 0.54 0.02 -0.83 0.00 0.00 0.00 175.10 175.35 1q9p s GLY 78 N 0.35 1.28 0.50 4.51 0.00 0.63 -1.72 107.32 112.86 1q9p s GLY 78 Ca -0.14 -1.62 0.33 0.00 0.00 0.00 0.00 44.72 43.29 1q9p s GLY 78 CO 0.07 -1.53 2.00 -0.56 0.00 0.00 0.00 173.10 173.08 1q9p h PRO 79 N 2.66 0.00 -6.64 2.90 0.13 -1.90 0.11 132.00 129.25 1q9p h PRO 79 Ca -0.37 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.18 1q9p h PRO 79 Cb 1.21 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.45 1q9p h PRO 79 CO 0.62 0.00 0.37 -2.37 -0.23 0.00 0.00 178.00 176.39 1q9p n THR 80 N -2.82 2.00 -1.76 1.56 5.66 -1.26 -4.56 114.28 113.10 1q9p n THR 80 Ca -0.00 -0.50 -0.32 0.00 -3.05 0.00 0.00 64.05 60.18 1q9p n THR 80 Cb 0.19 -1.36 0.04 0.00 -1.55 0.00 0.00 70.33 67.65 1q9p n THR 80 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1q9p s PRO 81 N -1.76 2.99 0.26 1.09 0.04 -1.26 -3.58 135.00 132.78 1q9p s PRO 81 Ca 0.57 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1q9p s PRO 81 Cb -0.62 -1.99 0.00 0.00 0.04 0.00 0.00 34.50 31.93 1q9p s PRO 81 CO 0.61 -1.07 0.00 0.28 0.04 0.00 0.00 177.00 176.86 1q9p n VAL 82 N -2.60 0.00 -4.83 -0.36 0.31 -1.26 -4.75 118.33 104.84 1q9p n VAL 82 Ca 0.09 0.07 -0.25 0.00 -0.01 0.00 0.00 64.34 64.24 1q9p n VAL 82 Cb 0.53 -0.42 -0.15 0.00 -0.91 0.00 0.00 33.84 32.88 1q9p n VAL 82 CO 0.00 0.00 0.00 0.20 -1.32 0.00 0.00 176.83 175.71 1q9p s ASN 83 N -5.88 2.04 -0.03 4.52 0.01 -1.26 -1.92 114.94 112.42 1q9p s ASN 83 Ca 0.00 -0.32 0.04 0.00 -0.71 0.00 0.00 52.86 51.87 1q9p s ASN 83 Cb 0.00 -0.23 -0.00 0.00 0.41 0.00 0.00 41.25 41.43 1q9p s ASN 83 CO 0.00 0.21 -0.14 -0.51 -1.51 0.00 0.00 177.10 175.15 1q9p s ILE 84 N -0.41 1.19 -0.16 0.60 2.07 -0.76 -2.42 121.20 121.31 1q9p s ILE 84 Ca 0.07 -0.60 -0.04 0.00 -1.41 0.00 0.00 60.65 58.67 1q9p s ILE 84 Cb -0.07 -1.03 -0.03 0.00 0.13 0.00 0.00 42.46 41.47 1q9p s ILE 84 CO -0.01 0.35 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.72 1q9p s ILE 85 N 0.01 4.04 0.72 2.00 1.01 -1.03 -2.28 121.20 125.67 1q9p s ILE 85 Ca -0.02 -0.30 -0.04 0.00 0.00 0.00 0.00 60.65 60.29 1q9p s ILE 85 Cb -0.10 -2.78 0.15 0.00 0.01 0.00 0.00 42.46 39.75 1q9p s ILE 85 CO 0.01 0.49 0.98 0.61 0.00 0.00 0.00 174.94 177.03 1q9p n GLY 86 N 3.50 0.07 0.26 6.18 0.00 -1.25 -2.39 105.19 111.56 1q9p n GLY 86 Ca -0.17 -1.94 0.18 0.00 0.00 0.00 0.00 46.02 44.09 1q9p n GLY 86 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1q9p h ARG 87 N 0.00 0.00 0.30 1.61 0.11 -1.80 -2.89 114.38 111.71 1q9p h ARG 87 Ca -0.32 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.76 1q9p h ARG 87 Cb 1.09 0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.15 1q9p h ARG 87 CO 0.31 0.00 -0.29 -0.97 0.10 0.00 0.00 179.97 179.12 1q9p h ASN 88 N 0.00 -0.77 0.22 0.08 -1.24 -1.88 -0.47 115.58 111.53 1q9p h ASN 88 Ca 0.00 0.07 -0.23 0.00 0.71 0.00 0.00 56.30 56.85 1q9p h ASN 88 Cb 0.25 0.26 0.01 0.00 0.73 0.00 0.00 38.32 39.56 1q9p h ASN 88 CO 0.00 -0.41 -0.93 -0.07 -1.29 0.00 0.00 177.43 174.73 1q9p h LEU 89 N -0.61 0.64 -1.13 0.34 3.38 -1.87 -3.21 115.31 112.85 1q9p h LEU 89 Ca -0.01 -0.49 0.11 0.00 0.09 0.00 0.00 57.88 57.58 1q9p h LEU 89 Cb 0.56 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.04 1q9p h LEU 89 CO -0.05 1.28 0.60 0.25 0.09 0.00 0.00 178.44 180.62 1q9p h LEU 90 N 0.29 0.84 -1.11 1.67 5.85 -1.37 -0.15 115.31 121.33 1q9p h LEU 90 Ca -0.08 0.04 -0.02 0.00 0.84 0.00 0.00 57.88 58.65 1q9p h LEU 90 Cb 1.56 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 42.42 1q9p h LEU 90 CO 0.17 0.46 0.36 0.74 -0.34 0.00 0.00 178.44 179.83 1q9p h THR 91 N 0.91 1.22 -3.22 1.05 2.02 -1.08 -3.41 112.91 110.40 1q9p h THR 91 Ca 0.46 -0.57 -0.60 0.00 0.77 0.00 0.00 66.41 66.46 1q9p h THR 91 Cb 0.49 0.29 -0.10 0.00 -1.74 0.00 0.00 68.15 67.10 1q9p h THR 91 CO -0.22 0.25 -0.34 -1.58 0.37 0.00 0.00 175.52 174.00 1q9p s GLN 92 N -5.62 4.16 0.00 6.66 0.74 -0.07 -4.81 119.66 120.73 1q9p s GLN 92 Ca -0.11 0.08 0.00 0.00 0.05 0.00 0.00 55.36 55.38 1q9p s GLN 92 Cb 0.17 -3.39 0.00 0.00 1.10 0.00 0.00 33.01 30.89 1q9p s GLN 92 CO 0.80 0.32 0.00 1.51 -0.55 0.00 0.00 175.29 177.37 1q9p n ILE 93 N 3.31 0.00 -3.05 -2.34 3.06 -1.26 -4.85 119.36 114.23 1q9p n ILE 93 Ca -0.13 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.12 1q9p n ILE 93 Cb 0.52 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.70 1q9p n ILE 93 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1q9p n GLY 94 N 0.00 -1.83 0.73 4.50 0.00 -1.26 -4.70 105.19 102.62 1q9p n GLY 94 Ca 0.00 -1.54 0.13 0.00 0.00 0.00 0.00 46.02 44.61 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32