#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 2.55 0.20 -0.52 -1.52 -1.26 -5.13 119.66 113.98 1q9p s GLN 2 Ca 0.00 -0.88 0.09 0.00 -1.95 0.00 0.00 55.36 52.63 1q9p s GLN 2 Cb 0.00 -2.52 -0.05 0.00 -0.22 0.00 0.00 33.01 30.22 1q9p s GLN 2 CO 0.00 0.52 -0.18 0.96 -0.25 0.00 0.00 175.29 176.34 1q9p s ILE 3 N -1.40 2.00 -1.19 1.08 -4.36 -1.26 -4.80 121.20 111.28 1q9p s ILE 3 Ca 0.26 -2.12 -0.14 0.00 -0.26 0.00 0.00 60.65 58.39 1q9p s ILE 3 Cb -0.11 -2.03 0.02 0.00 1.25 0.00 0.00 42.46 41.58 1q9p s ILE 3 CO 0.19 -0.39 0.27 0.41 0.24 0.00 0.00 174.94 175.66 1q9p n THR 4 N -0.10 -1.49 -3.14 8.37 -1.04 -1.26 -4.86 114.28 110.75 1q9p n THR 4 Ca -0.10 -0.46 -0.39 0.00 -2.04 0.00 0.00 64.05 61.06 1q9p n THR 4 Cb 0.59 -1.34 -0.05 0.00 -1.82 0.00 0.00 70.33 67.70 1q9p n THR 4 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1q9p s LEU 5 N -6.94 4.28 0.06 -4.42 2.34 -1.26 -4.89 118.68 107.84 1q9p s LEU 5 Ca 0.20 1.02 0.00 0.00 0.06 0.00 0.00 54.13 55.41 1q9p s LEU 5 Cb -0.11 -2.94 0.00 0.00 -0.56 0.00 0.00 46.19 42.58 1q9p s LEU 5 CO 0.85 -0.10 0.00 1.87 -1.06 0.00 0.00 176.35 177.90 1q9p n TRP 6 N 3.93 -0.46 -5.19 3.48 -0.00 -1.26 -5.09 117.44 112.85 1q9p n TRP 6 Ca -0.03 0.08 -0.30 0.00 -0.00 0.00 0.00 57.50 57.25 1q9p n TRP 6 Cb 0.51 0.36 -0.16 0.00 -0.00 0.00 0.00 31.31 32.02 1q9p n TRP 6 CO 0.00 0.00 0.00 0.21 -0.00 0.00 0.00 177.69 177.90 1q9p s LYS 7 N -2.00 2.07 0.18 5.87 2.20 -1.26 -5.10 119.74 121.71 1q9p s LYS 7 Ca 0.00 -0.85 -0.32 0.00 -0.36 0.00 0.00 55.97 54.44 1q9p s LYS 7 Cb 0.00 -1.93 -0.11 0.00 -1.51 0.00 0.00 37.83 34.28 1q9p s LYS 7 CO 0.00 0.47 1.70 0.50 -0.36 0.00 0.00 175.35 177.66 1q9p s ARG 8 N -0.43 4.15 0.48 4.03 6.06 -1.26 -4.88 118.95 127.09 1q9p s ARG 8 Ca 0.05 2.54 0.27 0.00 -2.50 0.00 0.00 55.73 56.09 1q9p s ARG 8 Cb -0.10 -3.19 1.05 0.00 0.06 0.00 0.00 34.95 32.76 1q9p s ARG 8 CO 0.00 -0.73 1.87 -1.00 -2.50 0.00 0.00 175.30 172.94 1q9p h PRO 9 N 7.12 0.00 -5.70 5.12 0.13 -2.05 -3.42 132.00 133.20 1q9p h PRO 9 Ca -0.43 0.00 -0.58 0.00 -0.87 0.00 0.00 66.00 64.11 1q9p h PRO 9 Cb 1.20 0.00 -0.09 0.00 0.13 0.00 0.00 31.00 32.25 1q9p h PRO 9 CO 0.95 0.14 -0.03 -1.17 -0.23 0.00 0.00 178.00 177.66 1q9p s LEU 10 N -6.58 4.22 0.01 1.56 2.96 -1.26 -4.93 118.68 114.65 1q9p s LEU 10 Ca 0.01 0.83 0.02 0.00 -0.22 0.00 0.00 54.13 54.77 1q9p s LEU 10 Cb 0.10 -2.79 -0.01 0.00 0.50 0.00 0.00 46.19 43.99 1q9p s LEU 10 CO 0.61 -0.12 -0.07 0.54 -1.32 0.00 0.00 176.35 175.98 1q9p s VAL 11 N 1.20 0.57 0.17 1.68 0.11 -1.26 -5.16 120.40 117.72 1q9p s VAL 11 Ca 0.28 -0.47 0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1q9p s VAL 11 Cb -0.16 -0.51 -0.04 0.00 -1.53 0.00 0.00 36.38 34.14 1q9p s VAL 11 CO 0.11 0.05 -0.16 0.42 -3.33 0.00 0.00 175.10 172.19 1q9p s THR 12 N -0.42 1.66 0.23 5.04 -4.23 -1.26 -3.54 115.64 113.12 1q9p s THR 12 Ca 0.00 -1.98 0.09 0.00 -1.18 0.00 0.00 61.69 58.62 1q9p s THR 12 Cb -0.04 -1.84 -0.05 0.00 1.34 0.00 0.00 72.50 71.91 1q9p s THR 12 CO -0.00 -0.45 -0.16 0.27 -0.54 0.00 0.00 174.62 173.74 1q9p s ILE 13 N -2.43 1.97 -0.13 2.99 -4.36 -0.20 -4.67 121.20 114.37 1q9p s ILE 13 Ca 0.17 -2.27 0.00 0.00 -0.26 0.00 0.00 60.65 58.29 1q9p s ILE 13 Cb -0.04 -2.13 0.02 0.00 1.25 0.00 0.00 42.46 41.57 1q9p s ILE 13 CO 0.06 -0.53 -0.12 -0.54 0.24 0.00 0.00 174.94 174.04 1q9p s LYS 14 N -3.60 2.03 -0.04 0.37 1.02 -0.92 -1.40 119.74 117.20 1q9p s LYS 14 Ca 0.25 -0.46 -0.03 0.00 0.02 0.00 0.00 55.97 55.75 1q9p s LYS 14 Cb -0.02 -1.88 0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1q9p s LYS 14 CO 0.09 -0.20 0.09 0.96 -0.92 0.00 0.00 175.35 175.37 1q9p s ILE 15 N 1.43 -0.01 0.00 2.17 -4.36 -0.98 -1.99 121.20 117.46 1q9p s ILE 15 Ca 0.02 0.05 0.00 0.00 -0.26 0.00 0.00 60.65 60.46 1q9p s ILE 15 Cb -0.13 -0.15 0.00 0.00 1.25 0.00 0.00 42.46 43.43 1q9p s ILE 15 CO -0.08 0.02 0.00 0.61 0.24 0.00 0.00 174.94 175.73 1q9p n GLY 16 N 3.33 0.91 0.00 6.27 0.00 -1.26 -1.55 105.19 112.89 1q9p n GLY 16 Ca -0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.00 1.03 3.47 -0.02 0.00 -1.26 -5.09 105.19 101.31 1q9p n GLY 17 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.66 1.72 -0.12 1.61 -0.21 -0.60 -5.12 119.66 116.29 1q9p s GLN 18 Ca 0.00 -1.20 -0.18 0.00 0.02 0.00 0.00 55.36 53.99 1q9p s GLN 18 Cb 0.00 -2.08 -0.04 0.00 1.00 0.00 0.00 33.01 31.89 1q9p s GLN 18 CO 0.00 0.48 0.47 -0.51 -2.12 0.00 0.00 175.29 173.61 1q9p s LEU 19 N -2.10 4.28 0.12 2.90 1.43 -1.26 -2.32 118.68 121.72 1q9p s LEU 19 Ca 0.17 0.81 0.04 0.00 -1.03 0.00 0.00 54.13 54.12 1q9p s LEU 19 Cb -0.10 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.39 1q9p s LEU 19 CO 0.09 0.01 -0.10 -0.54 0.23 0.00 0.00 176.35 176.04 1q9p s LYS 20 N 0.60 0.94 0.04 1.70 1.02 -0.49 -5.02 119.74 118.53 1q9p s LYS 20 Ca 0.26 -1.31 0.06 0.00 0.02 0.00 0.00 55.97 55.00 1q9p s LYS 20 Cb -0.15 -0.54 -0.03 0.00 -0.52 0.00 0.00 37.83 36.58 1q9p s LYS 20 CO 0.10 0.07 -0.15 -1.21 -0.92 0.00 0.00 175.35 173.24 1q9p s GLU 21 N -3.35 2.16 0.01 1.68 2.02 -1.26 -1.04 118.70 118.93 1q9p s GLU 21 Ca 0.11 -0.94 -0.15 0.00 0.02 0.00 0.00 54.97 54.02 1q9p s GLU 21 Cb 0.01 -2.26 0.02 0.00 0.10 0.00 0.00 34.13 32.00 1q9p s GLU 21 CO -0.00 0.55 0.31 0.00 0.02 0.00 0.00 175.26 176.13 1q9p s ALA 22 N -0.98 -0.76 0.04 5.21 0.00 -1.23 -4.35 121.76 119.70 1q9p s ALA 22 Ca 0.16 0.22 -0.00 0.00 0.00 0.00 0.00 51.96 52.34 1q9p s ALA 22 Cb -0.11 0.16 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 1q9p s ALA 22 CO 0.07 -0.31 0.18 -0.51 0.00 0.00 0.00 175.76 175.18 1q9p s LEU 23 N -1.59 4.25 0.11 0.00 1.43 -0.38 -4.53 118.68 117.96 1q9p s LEU 23 Ca -0.11 0.24 -0.29 0.00 -1.03 0.00 0.00 54.13 52.95 1q9p s LEU 23 Cb -0.04 -2.76 -0.06 0.00 0.03 0.00 0.00 46.19 43.36 1q9p s LEU 23 CO 0.02 0.20 0.92 -0.76 0.23 0.00 0.00 176.35 176.96 1q9p s LEU 24 N -2.30 4.50 0.17 1.79 1.43 -1.26 -2.42 118.68 120.59 1q9p s LEU 24 Ca 0.31 1.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.99 1q9p s LEU 24 Cb -0.13 -3.52 -0.07 0.00 0.03 0.00 0.00 46.19 42.50 1q9p s LEU 24 CO 0.24 -0.03 0.62 -0.62 0.23 0.00 0.00 176.35 176.78 1q9p s ASP 25 N -0.09 6.93 0.52 2.29 2.15 -0.98 -4.92 116.67 122.57 1q9p s ASP 25 Ca 0.45 1.22 0.21 0.00 0.43 0.00 0.00 52.55 54.86 1q9p s ASP 25 Cb -0.23 -2.34 1.39 0.00 -0.30 0.00 0.00 42.92 41.43 1q9p s ASP 25 CO 0.29 0.09 2.13 0.74 -0.17 0.00 0.00 175.17 178.24 1q9p h THR 26 N 2.82 0.83 0.00 1.71 2.02 -1.96 -3.41 112.91 114.92 1q9p h THR 26 Ca -0.48 -0.24 0.00 0.00 0.77 0.00 0.00 66.41 66.45 1q9p h THR 26 Cb 1.19 1.14 0.00 0.00 -1.74 0.00 0.00 68.15 68.74 1q9p h THR 26 CO 0.65 0.06 0.00 0.61 0.37 0.00 0.00 175.52 177.22 1q9p n GLY 27 N -1.21 -1.87 3.74 2.16 0.00 -1.26 -5.09 105.19 101.66 1q9p n GLY 27 Ca -0.03 0.85 -0.36 0.00 0.00 0.00 0.00 46.02 46.48 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 3.63 0.21 4.61 0.00 -1.26 -4.97 121.76 123.98 1q9p s ALA 28 Ca 0.00 -0.50 -0.08 0.00 0.00 0.00 0.00 51.96 51.37 1q9p s ALA 28 Cb 0.00 -2.32 0.15 0.00 0.00 0.00 0.00 23.12 20.95 1q9p s ALA 28 CO 0.00 0.15 1.78 -0.44 0.00 0.00 0.00 175.76 177.25 1q9p h ASP 29 N 6.50 1.07 -1.89 0.00 3.32 -1.98 -2.17 116.42 121.28 1q9p h ASP 29 Ca -0.42 -0.17 -0.59 0.00 0.02 0.00 0.00 57.03 55.87 1q9p h ASP 29 Cb 1.17 -0.28 -0.11 0.00 0.22 0.00 0.00 39.33 40.33 1q9p h ASP 29 CO 0.74 0.94 -0.61 -1.81 -1.72 0.00 0.00 179.24 176.79 1q9p s ASP 30 N -6.31 4.16 -0.07 6.45 1.01 -1.26 -4.53 116.67 116.12 1q9p s ASP 30 Ca -0.12 -1.03 0.03 0.00 0.71 0.00 0.00 52.55 52.14 1q9p s ASP 30 Cb 0.15 -0.51 -0.02 0.00 1.01 0.00 0.00 42.92 43.55 1q9p s ASP 30 CO 0.83 -0.27 -0.16 -0.89 0.21 0.00 0.00 175.17 174.90 1q9p s THR 31 N -2.54 2.90 -0.00 -1.27 2.01 -1.26 -4.10 115.64 111.38 1q9p s THR 31 Ca 0.35 -0.77 0.00 0.00 0.31 0.00 0.00 61.69 61.59 1q9p s THR 31 Cb 0.01 -2.14 -0.00 0.00 0.01 0.00 0.00 72.50 70.38 1q9p s THR 31 CO 0.19 0.57 -0.01 0.54 -0.69 0.00 0.00 174.62 175.22 1q9p s VAL 32 N -0.42 0.11 0.15 3.82 0.11 -1.07 -3.15 120.40 119.95 1q9p s VAL 32 Ca 0.05 -0.07 0.06 0.00 -2.93 0.00 0.00 61.98 59.08 1q9p s VAL 32 Cb -0.12 -0.10 -0.04 0.00 -1.53 0.00 0.00 36.38 34.58 1q9p s VAL 32 CO 0.02 0.02 -0.12 0.27 -3.33 0.00 0.00 175.10 171.96 1q9p s ILE 33 N -0.05 1.34 0.67 7.04 -4.36 -0.41 -1.77 121.20 123.66 1q9p s ILE 33 Ca 0.00 -1.96 -0.17 0.00 -0.26 0.00 0.00 60.65 58.26 1q9p s ILE 33 Cb -0.01 -1.76 -0.01 0.00 1.25 0.00 0.00 42.46 41.93 1q9p s ILE 33 CO -0.00 -0.59 1.10 1.21 0.24 0.00 0.00 174.94 176.90 1q9p n GLU 34 N 0.04 0.79 -3.30 0.37 2.13 -0.42 -1.84 120.64 118.41 1q9p n GLU 34 Ca -0.12 0.33 -0.38 0.00 0.66 0.00 0.00 57.16 57.64 1q9p n GLU 34 Cb 0.59 -2.34 -0.06 0.00 0.27 0.00 0.00 31.44 29.91 1q9p n GLU 34 CO 0.00 0.00 0.00 -2.00 -0.41 0.00 0.00 177.13 174.72 1q9p s GLU 35 N -3.27 4.23 -0.09 5.31 2.12 0.94 -4.65 118.70 123.29 1q9p s GLU 35 Ca 0.78 0.60 -0.20 0.00 0.36 0.00 0.00 54.97 56.51 1q9p s GLU 35 Cb -0.37 -3.33 0.04 0.00 0.26 0.00 0.00 34.13 30.74 1q9p s GLU 35 CO 0.46 0.42 0.47 1.41 -0.54 0.00 0.00 175.26 177.47 1q9p s MET 36 N -0.29 0.72 -0.50 4.30 1.75 -1.26 -4.95 119.30 119.06 1q9p s MET 36 Ca 0.28 0.28 -0.05 0.00 -1.25 0.00 0.00 55.69 54.95 1q9p s MET 36 Cb -0.17 0.34 -0.17 0.00 2.84 0.00 0.00 34.83 37.66 1q9p s MET 36 CO 0.15 -0.17 1.21 0.45 -0.65 0.00 0.00 175.02 176.01 1q9p n SER 37 N 1.83 -1.00 -3.77 1.11 2.88 -1.26 -4.76 113.62 108.66 1q9p n SER 37 Ca -0.18 -0.45 -0.28 0.00 -1.33 0.00 0.00 58.87 56.63 1q9p n SER 37 Cb 0.56 -0.34 -0.12 0.00 -0.75 0.00 0.00 64.21 63.56 1q9p n SER 37 CO 0.00 0.00 0.00 -0.22 -1.23 0.00 0.00 175.04 173.59 1q9p s LEU 38 N 0.00 3.70 0.00 2.46 2.96 -1.26 -5.12 118.68 121.42 1q9p s LEU 38 Ca 0.67 -3.40 -0.03 0.00 -0.22 0.00 0.00 54.13 51.14 1q9p s LEU 38 Cb -0.43 -1.28 0.05 0.00 0.50 0.00 0.00 46.19 45.03 1q9p s LEU 38 CO 0.29 -0.15 0.12 -2.65 -1.32 0.00 0.00 176.35 172.64 1q9p n PRO 39 N 2.53 0.14 0.00 0.98 -0.02 -1.26 -4.79 135.00 132.58 1q9p n PRO 39 Ca 0.18 -0.19 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 1q9p n PRO 39 Cb 0.37 -0.48 0.00 0.00 -0.02 0.00 0.00 33.50 33.37 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 -0.10 0.47 3.37 -1.23 0.00 -1.26 -4.98 105.19 101.46 1q9p n GLY 40 Ca 0.02 -1.31 -0.31 0.00 0.00 0.00 0.00 46.02 44.42 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 2.04 -0.13 1.61 1.81 -1.26 -5.13 118.95 117.89 1q9p s ARG 41 Ca 0.00 -0.98 0.01 0.00 -1.72 0.00 0.00 55.73 53.04 1q9p s ARG 41 Cb 0.00 -2.09 -0.01 0.00 -0.45 0.00 0.00 34.95 32.40 1q9p s ARG 41 CO 0.00 0.55 -0.15 1.67 -0.68 0.00 0.00 175.30 176.69 1q9p s TRP 42 N -0.76 2.77 -0.27 -0.53 1.48 -1.26 -4.82 118.94 115.55 1q9p s TRP 42 Ca 0.12 -0.73 0.02 0.00 -1.06 0.00 0.00 56.10 54.45 1q9p s TRP 42 Cb -0.10 -1.82 0.06 0.00 -1.16 0.00 0.00 33.47 30.44 1q9p s TRP 42 CO 0.01 -0.26 -0.09 0.15 -4.06 0.00 0.00 176.95 172.71 1q9p s LYS 43 N 0.37 2.27 0.28 3.25 -0.14 -1.18 -5.00 119.74 119.60 1q9p s LYS 43 Ca -0.12 -1.34 -0.29 0.00 -1.36 0.00 0.00 55.97 52.86 1q9p s LYS 43 Cb -0.16 -2.95 -0.10 0.00 -1.68 0.00 0.00 37.83 32.94 1q9p s LYS 43 CO 0.06 -0.58 1.15 -1.25 -0.76 0.00 0.00 175.35 173.97 1q9p s PRO 44 N 1.13 4.57 0.00 -1.68 0.04 -1.26 -2.29 135.00 135.52 1q9p s PRO 44 Ca -0.08 1.89 0.02 0.00 0.04 0.00 0.00 61.00 62.87 1q9p s PRO 44 Cb -0.20 -3.17 -0.01 0.00 0.04 0.00 0.00 34.50 31.16 1q9p s PRO 44 CO -0.04 0.11 -0.07 0.21 0.04 0.00 0.00 177.00 177.25 1q9p s LYS 45 N -1.43 0.52 -0.65 4.56 2.20 -0.04 -4.98 119.74 119.93 1q9p s LYS 45 Ca 0.46 -0.33 -0.03 0.00 -0.36 0.00 0.00 55.97 55.71 1q9p s LYS 45 Cb -0.34 -0.47 0.17 0.00 -1.51 0.00 0.00 37.83 35.68 1q9p s LYS 45 CO 0.43 0.12 0.47 -1.64 -0.36 0.00 0.00 175.35 174.37 1q9p s MET 46 N -0.41 2.63 0.01 4.03 -1.94 -1.26 -1.00 119.30 121.35 1q9p s MET 46 Ca 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 55.69 51.40 1q9p s MET 46 Cb -0.04 -3.75 -0.00 0.00 2.01 0.00 0.00 34.83 33.05 1q9p s MET 46 CO -0.00 -1.18 0.00 0.44 -0.01 0.00 0.00 175.02 174.27 1q9p n ILE 47 N 3.40 0.00 0.00 2.53 -5.35 -0.99 -4.88 119.36 114.07 1q9p n ILE 47 Ca 0.09 -0.04 0.00 0.00 -0.27 0.00 0.00 62.75 62.53 1q9p n ILE 47 Cb 0.38 0.01 0.00 0.00 -1.74 0.00 0.00 39.64 38.29 1q9p n ILE 47 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1q9p n GLY 48 N 4.32 4.56 5.11 3.28 0.00 -1.26 0.14 105.19 121.34 1q9p n GLY 48 Ca -0.00 -0.78 0.00 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 0.54 3.54 -0.02 0.00 -1.25 -4.66 105.19 103.34 1q9p n GLY 49 Ca 0.00 0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 1q9p n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q9p s ILE 50 N 0.00 3.39 0.00 -0.61 1.01 -1.26 -4.53 121.20 119.20 1q9p s ILE 50 Ca 0.00 -0.70 0.00 0.00 0.00 0.00 0.00 60.65 59.95 1q9p s ILE 50 Cb 0.00 -2.39 0.00 0.00 0.01 0.00 0.00 42.46 40.08 1q9p s ILE 50 CO 0.00 0.52 0.00 0.61 0.00 0.00 0.00 174.94 176.07 1q9p n GLY 51 N 2.02 0.69 3.32 6.18 0.00 -1.26 -4.90 105.19 111.24 1q9p n GLY 51 Ca -0.17 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.19 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 -2.31 -2.07 3.55 -0.02 0.00 -1.26 -4.93 105.19 98.15 1q9p n GLY 52 Ca 0.00 -1.73 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 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 -0.12 2.98 0.04 1.61 0.08 -1.26 -3.87 117.98 117.44 1q9p s PHE 53 Ca 0.00 -0.12 0.08 0.00 0.12 0.00 0.00 56.93 57.01 1q9p s PHE 53 Cb 0.00 -1.81 -0.03 0.00 -0.57 0.00 0.00 43.02 40.61 1q9p s PHE 53 CO 0.00 0.18 -0.21 -1.50 -0.10 0.00 0.00 175.22 173.59 1q9p s ILE 54 N -0.33 2.55 -0.34 0.64 2.07 0.38 -4.92 121.20 121.25 1q9p s ILE 54 Ca 0.05 -1.26 -0.27 0.00 -1.41 0.00 0.00 60.65 57.76 1q9p s ILE 54 Cb -0.12 -2.04 0.01 0.00 0.13 0.00 0.00 42.46 40.43 1q9p s ILE 54 CO 0.02 0.35 0.97 -0.54 -1.91 0.00 0.00 174.94 173.84 1q9p s LYS 55 N -1.36 3.96 -0.07 3.50 1.02 -1.26 -2.35 119.74 123.19 1q9p s LYS 55 Ca 0.13 0.80 0.03 0.00 0.02 0.00 0.00 55.97 56.95 1q9p s LYS 55 Cb -0.10 -3.76 -0.02 0.00 -0.52 0.00 0.00 37.83 33.42 1q9p s LYS 55 CO 0.04 -0.89 -0.16 0.08 -0.92 0.00 0.00 175.35 173.50 1q9p s VAL 56 N 3.48 2.87 -0.01 3.17 1.01 -0.17 -4.91 120.40 125.84 1q9p s VAL 56 Ca 0.40 -0.77 -0.08 0.00 0.00 0.00 0.00 61.98 61.53 1q9p s VAL 56 Cb -0.12 -2.13 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 1q9p s VAL 56 CO 0.16 0.57 0.27 -0.60 0.00 0.00 0.00 175.10 175.50 1q9p s ARG 57 N -0.37 3.61 0.08 2.72 3.52 -0.23 -0.86 118.95 127.42 1q9p s ARG 57 Ca 0.04 -0.01 -0.06 0.00 -0.13 0.00 0.00 55.73 55.57 1q9p s ARG 57 Cb -0.12 -3.12 -0.01 0.00 -1.56 0.00 0.00 34.95 30.14 1q9p s ARG 57 CO 0.02 0.68 0.12 1.14 -0.81 0.00 0.00 175.30 176.45 1q9p s GLN 58 N -1.53 0.78 -0.20 5.12 -2.07 -0.97 0.12 119.66 120.91 1q9p s GLN 58 Ca 0.25 -1.05 -0.02 0.00 -1.82 0.00 0.00 55.36 52.71 1q9p s GLN 58 Cb -0.13 0.30 -0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1q9p s GLN 58 CO 0.13 -0.22 -0.09 0.71 -1.32 0.00 0.00 175.29 174.51 1q9p s TYR 59 N -3.88 2.90 -0.77 9.60 1.51 -1.11 -3.12 117.35 122.48 1q9p s TYR 59 Ca 0.06 -1.04 0.26 0.00 -1.01 0.00 0.00 57.07 55.35 1q9p s TYR 59 Cb 0.06 -2.03 0.90 0.00 -0.11 0.00 0.00 41.96 40.77 1q9p s TYR 59 CO -0.10 -0.55 1.80 -0.25 -1.11 0.00 0.00 175.55 175.33 1q9p n ASP 60 N 4.59 0.65 -2.95 2.29 8.00 -1.26 -1.86 116.55 126.00 1q9p n ASP 60 Ca -0.19 0.57 -0.15 0.00 0.71 0.00 0.00 54.79 55.73 1q9p n ASP 60 Cb 0.51 -0.74 -0.00 0.00 -0.02 0.00 0.00 41.12 40.87 1q9p n ASP 60 CO 0.00 0.00 0.00 1.67 -0.39 0.00 0.00 177.20 178.48 1q9p n GLN 61 N -2.11 0.75 -4.35 -1.24 7.27 -1.26 -4.48 117.38 111.97 1q9p n GLN 61 Ca 0.06 -2.42 -0.26 0.00 0.07 0.00 0.00 57.00 54.45 1q9p n GLN 61 Cb 0.40 -1.35 -0.10 0.00 2.41 0.00 0.00 30.24 31.60 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 0.07 0.00 0.00 177.06 175.63 1q9p s ILE 62 N -0.18 2.93 -0.13 1.69 2.07 -1.23 -5.00 121.20 121.35 1q9p s ILE 62 Ca 0.33 -1.88 -0.03 0.00 -1.41 0.00 0.00 60.65 57.66 1q9p s ILE 62 Cb 0.20 -2.47 -0.03 0.00 0.13 0.00 0.00 42.46 40.30 1q9p s ILE 62 CO -0.18 -0.18 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.01 1q9p s ILE 63 N -1.88 4.02 -0.05 2.00 1.01 -1.26 -2.60 121.20 122.44 1q9p s ILE 63 Ca 0.25 -0.33 0.06 0.00 0.00 0.00 0.00 60.65 60.64 1q9p s ILE 63 Cb -0.08 -2.74 -0.01 0.00 0.01 0.00 0.00 42.46 39.64 1q9p s ILE 63 CO 0.14 0.53 -0.24 -0.63 0.00 0.00 0.00 174.94 174.74 1q9p s ILE 64 N -0.05 2.15 -0.26 2.92 1.01 0.22 -4.74 121.20 122.44 1q9p s ILE 64 Ca 0.02 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.54 1q9p s ILE 64 Cb -0.13 -1.78 -0.04 0.00 0.01 0.00 0.00 42.46 40.52 1q9p s ILE 64 CO 0.02 0.57 0.11 -1.61 0.00 0.00 0.00 174.94 174.04 1q9p s GLU 65 N -0.24 3.79 -0.10 2.79 0.41 -0.84 -0.78 118.70 123.73 1q9p s GLU 65 Ca -0.01 -0.41 0.01 0.00 -0.41 0.00 0.00 54.97 54.16 1q9p s GLU 65 Cb -0.13 -3.44 0.02 0.00 -1.78 0.00 0.00 34.13 28.79 1q9p s GLU 65 CO 0.03 -0.15 -0.12 0.42 -0.49 0.00 0.00 175.26 174.95 1q9p s ILE 66 N 1.57 1.26 -1.48 -1.63 1.01 0.63 -2.16 121.20 120.40 1q9p s ILE 66 Ca 0.06 -0.50 -0.06 0.00 0.00 0.00 0.00 60.65 60.16 1q9p s ILE 66 Cb -0.15 -1.18 0.05 0.00 0.01 0.00 0.00 42.46 41.18 1q9p s ILE 66 CO 0.06 0.39 0.60 0.00 0.00 0.00 0.00 174.94 175.99 1q9p n ALA 67 N 4.29 -1.76 -1.39 9.38 0.00 -1.26 0.35 120.51 130.12 1q9p n ALA 67 Ca -0.19 -0.15 -0.13 0.00 0.00 0.00 0.00 53.44 52.98 1q9p n ALA 67 Cb 0.51 -2.33 -0.06 0.00 0.00 0.00 0.00 19.45 17.57 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 -1.78 1.39 3.33 0.00 0.00 -1.26 -4.99 105.19 101.89 1q9p n GLY 68 Ca -0.18 -0.30 -0.31 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.43 2.42 0.32 1.61 5.65 0.15 -5.12 115.29 117.89 1q9p s HIS 69 Ca 0.00 -0.43 -0.22 0.00 0.25 0.00 0.00 55.06 54.66 1q9p s HIS 69 Cb 0.00 -1.54 -0.10 0.00 -1.18 0.00 0.00 32.58 29.76 1q9p s HIS 69 CO 0.00 -0.03 0.86 0.15 -0.65 0.00 0.00 174.74 175.07 1q9p s LYS 70 N -0.56 4.35 -0.16 2.88 1.02 -1.26 -0.27 119.74 125.74 1q9p s LYS 70 Ca 0.08 1.08 -0.14 0.00 0.02 0.00 0.00 55.97 57.01 1q9p s LYS 70 Cb -0.11 -2.64 0.04 0.00 -0.52 0.00 0.00 37.83 34.60 1q9p s LYS 70 CO 0.00 0.23 0.42 0.00 -0.92 0.00 0.00 175.35 175.08 1q9p s ALA 71 N -1.76 -1.04 -0.05 5.17 0.00 0.04 -4.91 121.76 119.21 1q9p s ALA 71 Ca 0.51 1.22 0.03 0.00 0.00 0.00 0.00 51.96 53.72 1q9p s ALA 71 Cb -0.15 -0.71 0.00 0.00 0.00 0.00 0.00 23.12 22.26 1q9p s ALA 71 CO 0.20 -0.21 -0.13 0.96 0.00 0.00 0.00 175.76 176.58 1q9p s ILE 72 N 0.33 1.13 0.00 0.00 -4.36 -1.26 0.69 121.20 117.73 1q9p s ILE 72 Ca -0.01 -0.52 0.00 0.00 -0.26 0.00 0.00 60.65 59.86 1q9p s ILE 72 Cb -0.03 -1.00 0.00 0.00 1.25 0.00 0.00 42.46 42.67 1q9p s ILE 72 CO -0.01 0.34 0.00 0.61 0.24 0.00 0.00 174.94 176.13 1q9p n GLY 73 N 3.44 -0.93 3.75 6.27 0.00 -1.07 -5.02 105.19 111.63 1q9p n GLY 73 Ca -0.20 -1.04 -0.41 0.00 0.00 0.00 0.00 46.02 44.37 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 -2.00 3.71 -0.37 2.61 2.01 -1.26 -3.54 115.64 116.80 1q9p s THR 74 Ca 0.00 1.61 0.01 0.00 0.31 0.00 0.00 61.69 63.62 1q9p s THR 74 Cb 0.00 -4.02 0.11 0.00 0.01 0.00 0.00 72.50 68.60 1q9p s THR 74 CO 0.00 0.34 0.14 -0.69 -0.69 0.00 0.00 174.62 173.72 1q9p s VAL 75 N -0.76 1.39 0.04 3.82 1.01 -0.78 -4.90 120.40 120.22 1q9p s VAL 75 Ca 0.46 -2.04 -0.30 0.00 0.00 0.00 0.00 61.98 60.10 1q9p s VAL 75 Cb -0.30 -2.02 -0.08 0.00 0.00 0.00 0.00 36.38 33.98 1q9p s VAL 75 CO 0.37 -0.74 1.73 -0.22 0.00 0.00 0.00 175.10 176.25 1q9p s LEU 76 N 0.98 4.37 -0.15 3.92 2.96 -1.19 -2.74 118.68 126.84 1q9p s LEU 76 Ca 0.13 2.49 -0.01 0.00 -0.22 0.00 0.00 54.13 56.52 1q9p s LEU 76 Cb -0.20 -3.55 -0.01 0.00 0.50 0.00 0.00 46.19 42.92 1q9p s LEU 76 CO -0.12 -0.94 -0.11 -0.69 -1.32 0.00 0.00 176.35 173.16 1q9p s VAL 77 N 3.36 3.10 0.24 1.68 1.01 0.33 -1.28 120.40 128.83 1q9p s VAL 77 Ca 0.77 -0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.13 1q9p s VAL 77 Cb -0.39 -2.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.62 1q9p s VAL 77 CO 0.34 0.50 0.13 -0.83 0.00 0.00 0.00 175.10 175.25 1q9p s GLY 78 N 0.62 1.67 0.65 4.51 0.00 -0.77 -1.07 107.32 112.93 1q9p s GLY 78 Ca -0.07 -1.78 0.43 0.00 0.00 0.00 0.00 44.72 43.30 1q9p s GLY 78 CO 0.03 -1.49 2.30 -0.56 0.00 0.00 0.00 173.10 173.38 1q9p h PRO 79 N 2.47 0.00 -6.00 2.90 0.13 -1.91 0.27 132.00 129.86 1q9p h PRO 79 Ca -0.36 0.00 -0.85 0.00 -0.87 0.00 0.00 66.00 63.93 1q9p h PRO 79 Cb 1.25 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.40 1q9p h PRO 79 CO 0.54 0.00 0.46 -2.37 -0.23 0.00 0.00 178.00 176.40 1q9p n THR 80 N -3.09 0.00 1.30 1.56 5.66 -1.26 -4.59 114.28 113.85 1q9p n THR 80 Ca -0.02 0.00 0.01 0.00 -3.05 0.00 0.00 64.05 60.99 1q9p n THR 80 Cb 0.12 -0.32 0.08 0.00 -1.55 0.00 0.00 70.33 68.66 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 3.09 0.65 -3.45 1.09 -0.04 -1.26 -3.76 135.00 131.31 1q9p n PRO 81 Ca 0.27 0.00 -0.16 0.00 -0.04 0.00 0.00 63.50 63.57 1q9p n PRO 81 Cb -0.01 -1.06 -0.04 0.00 -0.04 0.00 0.00 33.50 32.35 1q9p n PRO 81 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1q9p n VAL 82 N -0.56 0.00 -3.81 0.52 0.31 -1.26 -4.92 118.33 108.60 1q9p n VAL 82 Ca 0.02 -1.40 -0.17 0.00 -0.01 0.00 0.00 64.34 62.79 1q9p n VAL 82 Cb 0.01 0.44 -0.16 0.00 -0.91 0.00 0.00 33.84 33.21 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 -2.51 0.42 -0.03 4.52 0.01 -1.26 -1.30 114.94 114.78 1q9p s ASN 83 Ca 0.09 0.02 0.04 0.00 -0.71 0.00 0.00 52.86 52.29 1q9p s ASN 83 Cb 0.00 -0.15 -0.00 0.00 0.41 0.00 0.00 41.25 41.51 1q9p s ASN 83 CO 0.06 -0.14 -0.14 -0.51 -1.51 0.00 0.00 177.10 174.86 1q9p s ILE 84 N 1.26 1.18 -0.12 0.60 2.07 -0.73 -1.26 121.20 124.21 1q9p s ILE 84 Ca -0.07 -0.59 -0.02 0.00 -1.41 0.00 0.00 60.65 58.56 1q9p s ILE 84 Cb -0.13 -1.01 -0.03 0.00 0.13 0.00 0.00 42.46 41.42 1q9p s ILE 84 CO -0.03 0.34 -0.02 -0.63 -1.91 0.00 0.00 174.94 172.69 1q9p s ILE 85 N 0.02 4.05 0.09 2.00 1.01 -1.02 -2.61 121.20 124.75 1q9p s ILE 85 Ca -0.02 -0.32 0.01 0.00 0.00 0.00 0.00 60.65 60.32 1q9p s ILE 85 Cb -0.10 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.66 1q9p s ILE 85 CO 0.01 0.55 0.11 0.61 0.00 0.00 0.00 174.94 176.22 1q9p n GLY 86 N 2.82 2.34 0.32 6.18 0.00 -1.26 -2.32 105.19 113.27 1q9p n GLY 86 Ca -0.18 -2.16 0.21 0.00 0.00 0.00 0.00 46.02 43.89 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 -0.38 1.61 2.47 -1.65 -2.84 114.38 113.59 1q9p h ARG 87 Ca -0.05 0.00 0.06 0.00 -1.26 0.00 0.00 59.98 58.74 1q9p h ARG 87 Cb 0.20 0.00 -0.06 0.00 -1.65 0.00 0.00 29.97 28.47 1q9p h ARG 87 CO 0.07 0.00 0.03 -0.91 0.56 0.00 0.00 179.97 179.72 1q9p h ASN 88 N 0.00 -0.09 0.12 7.04 2.35 -1.80 0.24 115.58 123.43 1q9p h ASN 88 Ca 0.00 0.08 -0.28 0.00 -0.55 0.00 0.00 56.30 55.55 1q9p h ASN 88 Cb 0.04 0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.54 1q9p h ASN 88 CO 0.00 -0.01 -1.44 -0.07 -1.65 0.00 0.00 177.43 174.26 1q9p h LEU 89 N 0.14 0.39 -0.73 1.61 4.07 -1.91 -3.23 115.31 115.66 1q9p h LEU 89 Ca 0.18 -0.86 0.03 0.00 0.08 0.00 0.00 57.88 57.31 1q9p h LEU 89 Cb 0.24 -0.13 -0.04 0.00 1.08 0.00 0.00 40.66 41.81 1q9p h LEU 89 CO -0.28 1.63 0.46 -0.07 -1.08 0.00 0.00 178.44 179.10 1q9p h LEU 90 N -0.28 0.76 -0.92 1.67 3.38 -1.47 -2.15 115.31 116.30 1q9p h LEU 90 Ca -0.31 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.58 1q9p h LEU 90 Cb 1.78 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 42.34 1q9p h LEU 90 CO 0.06 0.53 -0.01 0.00 0.09 0.00 0.00 178.44 179.12 1q9p h THR 91 N 0.91 1.24 -0.99 0.22 1.03 -0.68 0.54 112.91 115.18 1q9p h THR 91 Ca 0.29 -1.01 0.14 0.00 -0.01 0.00 0.00 66.41 65.82 1q9p h THR 91 Cb -0.00 0.89 -0.09 0.00 -1.07 0.00 0.00 68.15 67.89 1q9p h THR 91 CO -0.10 0.36 0.62 -0.61 -0.01 0.00 0.00 175.52 175.77 1q9p h GLN 92 N 0.73 0.87 0.03 0.00 4.15 -1.40 -0.80 115.11 118.69 1q9p h GLN 92 Ca 0.14 -0.05 -0.27 0.00 0.77 0.00 0.00 58.65 59.24 1q9p h GLN 92 Cb 0.46 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 1q9p h GLN 92 CO 0.02 0.58 -1.41 0.82 -1.93 0.00 0.00 178.83 176.91 1q9p h ILE 93 N 0.90 1.23 0.00 2.39 1.08 -1.33 -3.51 117.51 118.28 1q9p h ILE 93 Ca 0.51 -2.99 0.00 0.00 -0.39 0.00 0.00 64.86 61.99 1q9p h ILE 93 Cb 0.62 2.65 0.00 0.00 -3.07 0.00 0.00 36.82 37.02 1q9p h ILE 93 CO -0.28 0.75 0.00 0.61 -0.69 0.00 0.00 178.15 178.54 1q9p n GLY 94 N 1.51 -1.87 0.00 5.37 0.00 0.15 -5.13 105.19 105.22 1q9p n GLY 94 Ca -0.11 -1.62 0.00 0.00 0.00 0.00 0.00 46.02 44.30 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32