#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 0.60 -0.52 -0.21 -1.26 -5.00 119.66 115.29 1q9p s GLN 2 Ca 0.00 -1.07 0.31 0.00 0.02 0.00 0.00 55.36 54.63 1q9p s GLN 2 Cb 0.00 -2.24 1.85 0.00 1.00 0.00 0.00 33.01 33.61 1q9p s GLN 2 CO 0.00 0.50 2.22 0.97 -2.12 0.00 0.00 175.29 176.86 1q9p h ILE 3 N 3.39 0.43 -3.08 1.08 2.10 -2.08 -3.40 117.51 115.96 1q9p h ILE 3 Ca -0.49 0.00 -0.63 0.00 1.08 0.00 0.00 64.86 64.82 1q9p h ILE 3 Cb 1.17 0.94 -0.12 0.00 -1.09 0.00 0.00 36.82 37.72 1q9p h ILE 3 CO 0.50 0.00 -0.52 -0.89 -1.08 0.00 0.00 178.15 176.16 1q9p s THR 4 N -4.56 5.18 -0.10 2.19 2.01 -1.26 -4.98 115.64 114.13 1q9p s THR 4 Ca -0.05 0.10 0.18 0.00 0.31 0.00 0.00 61.69 62.23 1q9p s THR 4 Cb 0.15 -3.31 -0.27 0.00 0.01 0.00 0.00 72.50 69.08 1q9p s THR 4 CO 0.52 0.52 0.26 0.00 -0.69 0.00 0.00 174.62 175.23 1q9p n LEU 5 N 2.90 0.00 -0.35 4.42 -0.00 -1.26 -4.42 117.00 118.29 1q9p n LEU 5 Ca -0.18 0.00 0.03 0.00 -0.00 0.00 0.00 56.01 55.87 1q9p n LEU 5 Cb 0.53 0.20 0.20 0.00 -0.00 0.00 0.00 43.42 44.35 1q9p n LEU 5 CO 0.34 0.20 1.26 -0.50 -0.00 0.00 0.00 177.39 178.69 1q9p h TRP 6 N 0.00 1.16 -0.81 1.47 4.06 -1.97 -1.19 115.95 118.67 1q9p h TRP 6 Ca -0.22 0.03 0.01 0.00 2.06 0.00 0.00 58.89 60.76 1q9p h TRP 6 Cb 1.45 -0.38 -0.04 0.00 -1.00 0.00 0.00 29.16 29.19 1q9p h TRP 6 CO 0.00 0.59 0.53 -0.22 -3.56 0.00 0.00 178.44 175.78 1q9p h LYS 7 N 1.12 1.07 -6.06 0.49 3.64 -2.01 -3.40 116.57 111.42 1q9p h LYS 7 Ca 0.43 -0.07 -0.58 0.00 -1.27 0.00 0.00 60.65 59.16 1q9p h LYS 7 Cb 0.20 -0.24 -0.06 0.00 -0.41 0.00 0.00 32.23 31.73 1q9p h LYS 7 CO -0.17 0.72 0.58 1.03 -2.27 0.00 0.00 179.45 179.34 1q9p s ARG 8 N -5.90 4.31 0.91 1.90 1.81 -0.45 -5.05 118.95 116.48 1q9p s ARG 8 Ca -0.11 1.23 -0.14 0.00 -1.72 0.00 0.00 55.73 54.99 1q9p s ARG 8 Cb 0.18 -3.59 0.14 0.00 -0.45 0.00 0.00 34.95 31.23 1q9p s ARG 8 CO 0.79 -0.44 1.20 -1.25 -0.68 0.00 0.00 175.30 174.91 1q9p s PRO 9 N 2.53 1.14 0.70 3.54 0.04 -1.26 -4.95 135.00 136.74 1q9p s PRO 9 Ca 0.43 0.03 -0.12 0.00 0.04 0.00 0.00 61.00 61.38 1q9p s PRO 9 Cb -0.16 -1.86 0.02 0.00 0.04 0.00 0.00 34.50 32.53 1q9p s PRO 9 CO 0.11 -2.15 1.07 -0.51 0.04 0.00 0.00 177.00 175.57 1q9p s LEU 10 N -5.90 3.17 -0.07 -3.56 1.43 -1.26 -5.01 118.68 107.47 1q9p s LEU 10 Ca 0.66 1.74 -0.22 0.00 -1.03 0.00 0.00 54.13 55.28 1q9p s LEU 10 Cb -0.10 -4.51 -0.04 0.00 0.03 0.00 0.00 46.19 41.56 1q9p s LEU 10 CO 0.52 -1.61 0.64 -0.69 0.23 0.00 0.00 176.35 175.44 1q9p s VAL 11 N -2.87 5.06 0.18 -1.59 1.01 -1.26 -5.06 120.40 115.86 1q9p s VAL 11 Ca 0.60 1.31 0.05 0.00 0.00 0.00 0.00 61.98 63.95 1q9p s VAL 11 Cb -0.16 -3.98 -0.05 0.00 0.00 0.00 0.00 36.38 32.20 1q9p s VAL 11 CO 0.52 0.29 -0.10 0.42 0.00 0.00 0.00 175.10 176.23 1q9p s THR 12 N 0.65 1.33 0.23 3.92 -4.23 -1.26 -3.90 115.64 112.38 1q9p s THR 12 Ca 0.34 -2.10 0.11 0.00 -1.18 0.00 0.00 61.69 58.86 1q9p s THR 12 Cb -0.17 -1.98 -0.05 0.00 1.34 0.00 0.00 72.50 71.64 1q9p s THR 12 CO 0.16 -0.64 -0.20 0.27 -0.54 0.00 0.00 174.62 173.66 1q9p s ILE 13 N -3.23 2.29 -0.14 2.99 -4.36 0.02 -4.66 121.20 114.11 1q9p s ILE 13 Ca 0.20 -2.22 -0.00 0.00 -0.26 0.00 0.00 60.65 58.37 1q9p s ILE 13 Cb 0.02 -2.17 0.03 0.00 1.25 0.00 0.00 42.46 41.59 1q9p s ILE 13 CO 0.04 -0.32 -0.10 -0.75 0.24 0.00 0.00 174.94 174.04 1q9p s LYS 14 N -3.19 1.87 -0.08 0.37 2.20 -1.04 -2.42 119.74 117.47 1q9p s LYS 14 Ca 0.25 -0.44 -0.07 0.00 -0.36 0.00 0.00 55.97 55.35 1q9p s LYS 14 Cb -0.06 -1.89 0.02 0.00 -1.51 0.00 0.00 37.83 34.40 1q9p s LYS 14 CO 0.12 -0.28 0.20 0.96 -0.36 0.00 0.00 175.35 175.99 1q9p s ILE 15 N 1.59 -0.00 0.00 5.43 -4.36 -0.91 -2.31 121.20 120.64 1q9p s ILE 15 Ca 0.04 0.02 0.00 0.00 -0.26 0.00 0.00 60.65 60.45 1q9p s ILE 15 Cb -0.13 -0.29 0.00 0.00 1.25 0.00 0.00 42.46 43.28 1q9p s ILE 15 CO -0.09 0.01 0.00 0.61 0.24 0.00 0.00 174.94 175.70 1q9p n GLY 16 N 3.09 0.00 0.08 6.27 0.00 -1.26 0.39 105.19 113.76 1q9p n GLY 16 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.37 0.61 3.84 -0.02 0.00 -1.26 -5.07 105.19 102.91 1q9p n GLY 17 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -0.97 3.29 -0.22 1.61 -0.21 0.16 -5.09 119.66 118.23 1q9p s GLN 18 Ca 0.00 -0.31 -0.10 0.00 0.02 0.00 0.00 55.36 54.97 1q9p s GLN 18 Cb 0.00 -3.03 -0.05 0.00 1.00 0.00 0.00 33.01 30.93 1q9p s GLN 18 CO 0.00 0.71 0.14 -0.51 -2.12 0.00 0.00 175.29 173.50 1q9p s LEU 19 N -1.47 4.11 0.05 2.90 1.43 -1.26 -2.14 118.68 122.29 1q9p s LEU 19 Ca 0.21 0.15 -0.01 0.00 -1.03 0.00 0.00 54.13 53.44 1q9p s LEU 19 Cb -0.12 -2.08 -0.04 0.00 0.03 0.00 0.00 46.19 43.98 1q9p s LEU 19 CO 0.11 0.12 -0.03 -0.75 0.23 0.00 0.00 176.35 176.02 1q9p s LYS 20 N 0.74 0.59 -0.05 1.70 2.47 -1.01 -5.03 119.74 119.15 1q9p s LYS 20 Ca 0.07 -1.15 0.02 0.00 -1.56 0.00 0.00 55.97 53.35 1q9p s LYS 20 Cb -0.12 0.16 -0.03 0.00 -1.46 0.00 0.00 37.83 36.38 1q9p s LYS 20 CO 0.02 -0.09 -0.08 -2.00 0.16 0.00 0.00 175.35 173.36 1q9p s GLU 21 N -3.60 2.67 0.03 4.03 2.12 -1.26 -0.80 118.70 121.89 1q9p s GLU 21 Ca 0.04 -0.61 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 1q9p s GLU 21 Cb 0.05 -2.54 -0.02 0.00 0.26 0.00 0.00 34.13 31.88 1q9p s GLU 21 CO -0.08 0.64 -0.01 0.00 -0.54 0.00 0.00 175.26 175.27 1q9p s ALA 22 N -0.85 0.16 -0.01 6.30 0.00 -1.25 -4.36 121.76 121.74 1q9p s ALA 22 Ca 0.13 -0.69 -0.03 0.00 0.00 0.00 0.00 51.96 51.37 1q9p s ALA 22 Cb -0.11 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.15 1q9p s ALA 22 CO 0.03 -0.22 0.19 -0.51 0.00 0.00 0.00 175.76 175.25 1q9p s LEU 23 N -1.84 4.37 0.00 0.00 1.43 -0.85 -4.81 118.68 116.99 1q9p s LEU 23 Ca -0.10 0.38 -0.18 0.00 -1.03 0.00 0.00 54.13 53.20 1q9p s LEU 23 Cb -0.05 -2.59 -0.06 0.00 0.03 0.00 0.00 46.19 43.52 1q9p s LEU 23 CO -0.03 0.27 0.51 -0.76 0.23 0.00 0.00 176.35 176.57 1q9p s LEU 24 N -1.86 4.44 -0.33 1.79 2.01 -1.26 -2.18 118.68 121.29 1q9p s LEU 24 Ca 0.27 1.07 -0.01 0.00 0.01 0.00 0.00 54.13 55.48 1q9p s LEU 24 Cb -0.13 -2.78 0.13 0.00 0.01 0.00 0.00 46.19 43.43 1q9p s LEU 24 CO 0.17 0.20 0.22 -0.62 1.01 0.00 0.00 176.35 177.34 1q9p s ASP 25 N -0.59 2.70 0.60 2.29 -1.08 0.36 -4.91 116.67 116.04 1q9p s ASP 25 Ca 0.27 -1.74 0.40 0.00 -0.52 0.00 0.00 52.55 50.96 1q9p s ASP 25 Cb -0.18 -0.15 2.04 0.00 -1.46 0.00 0.00 42.92 43.18 1q9p s ASP 25 CO 0.15 -0.34 2.21 0.74 0.52 0.00 0.00 175.17 178.45 1q9p h THR 26 N 5.48 0.00 0.00 1.71 2.02 -1.92 -0.53 112.91 119.66 1q9p h THR 26 Ca -0.02 -0.13 0.00 0.00 0.77 0.00 0.00 66.41 67.03 1q9p h THR 26 Cb 1.00 1.08 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1q9p h THR 26 CO 0.30 0.00 -0.37 0.61 0.37 0.00 0.00 175.52 176.43 1q9p n GLY 27 N -0.80 -1.50 3.60 2.16 0.00 -1.26 -4.53 105.19 102.86 1q9p n GLY 27 Ca -0.02 -0.18 -0.42 0.00 0.00 0.00 0.00 46.02 45.40 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 -3.12 3.44 0.20 4.61 0.00 -0.21 -4.92 121.76 121.76 1q9p s ALA 28 Ca 0.09 -0.48 -0.07 0.00 0.00 0.00 0.00 51.96 51.49 1q9p s ALA 28 Cb 0.14 -3.45 0.12 0.00 0.00 0.00 0.00 23.12 19.93 1q9p s ALA 28 CO 0.67 -1.49 1.66 0.22 0.00 0.00 0.00 175.76 176.81 1q9p h ASP 29 N 8.39 0.98 -0.88 0.00 3.58 -1.86 -3.06 116.42 123.57 1q9p h ASP 29 Ca -0.24 -0.29 -0.65 0.00 0.42 0.00 0.00 57.03 56.27 1q9p h ASP 29 Cb 1.09 -0.26 -0.12 0.00 1.72 0.00 0.00 39.33 41.75 1q9p h ASP 29 CO 0.95 1.05 -0.54 -1.81 -2.88 0.00 0.00 179.24 176.01 1q9p s ASP 30 N -6.62 4.08 0.08 2.28 1.01 -1.26 -4.31 116.67 111.93 1q9p s ASP 30 Ca -0.11 -1.51 0.09 0.00 0.71 0.00 0.00 52.55 51.73 1q9p s ASP 30 Cb 0.14 0.15 -0.03 0.00 1.01 0.00 0.00 42.92 44.18 1q9p s ASP 30 CO 0.85 -0.71 -0.25 0.42 0.21 0.00 0.00 175.17 175.70 1q9p s THR 31 N -2.80 2.34 -0.03 -1.27 -4.23 -1.26 -4.62 115.64 103.77 1q9p s THR 31 Ca 0.19 -1.49 0.01 0.00 -1.18 0.00 0.00 61.69 59.22 1q9p s THR 31 Cb 0.04 -1.98 0.02 0.00 1.34 0.00 0.00 72.50 71.92 1q9p s THR 31 CO 0.10 0.25 -0.04 -0.69 -0.54 0.00 0.00 174.62 173.70 1q9p s VAL 32 N -0.93 0.44 0.08 2.29 1.01 -0.96 -3.35 120.40 118.96 1q9p s VAL 32 Ca 0.13 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.08 1q9p s VAL 32 Cb -0.10 -0.46 -0.03 0.00 0.00 0.00 0.00 36.38 35.79 1q9p s VAL 32 CO 0.04 0.19 -0.19 0.27 0.00 0.00 0.00 175.10 175.41 1q9p s ILE 33 N 0.71 1.50 0.82 2.22 -4.36 -0.62 -1.52 121.20 119.96 1q9p s ILE 33 Ca -0.09 -1.37 -0.13 0.00 -0.26 0.00 0.00 60.65 58.80 1q9p s ILE 33 Cb -0.12 -1.37 0.09 0.00 1.25 0.00 0.00 42.46 42.32 1q9p s ILE 33 CO -0.00 -0.05 1.19 -1.83 0.24 0.00 0.00 174.94 174.49 1q9p s GLU 34 N -1.66 1.56 0.05 0.37 -1.05 -0.87 -1.56 118.70 115.53 1q9p s GLU 34 Ca 0.04 1.70 -0.18 0.00 -0.15 0.00 0.00 54.97 56.39 1q9p s GLU 34 Cb -0.10 -1.77 -0.06 0.00 -0.44 0.00 0.00 34.13 31.76 1q9p s GLU 34 CO 0.03 -2.26 0.52 -2.00 0.95 0.00 0.00 175.26 172.50 1q9p s GLU 35 N -4.24 4.12 0.03 -4.83 2.12 -1.24 -4.80 118.70 109.86 1q9p s GLU 35 Ca 0.72 0.65 0.00 0.00 0.36 0.00 0.00 54.97 56.69 1q9p s GLU 35 Cb -0.27 -3.23 0.00 0.00 0.26 0.00 0.00 34.13 30.88 1q9p s GLU 35 CO 0.52 0.66 0.00 -1.33 -0.54 0.00 0.00 175.26 174.56 1q9p n MET 36 N 1.74 0.00 -2.71 4.30 2.81 -1.26 -5.10 117.12 116.90 1q9p n MET 36 Ca -0.11 0.00 -0.02 0.00 -1.81 0.00 0.00 57.70 55.75 1q9p n MET 36 Cb 0.51 0.00 0.03 0.00 -0.71 0.00 0.00 33.22 33.05 1q9p n MET 36 CO 0.00 0.00 0.00 -1.12 1.51 0.00 0.00 175.97 176.36 1q9p s SER 37 N -2.03 -0.47 -0.65 7.83 0.01 -1.26 -5.09 113.70 112.03 1q9p s SER 37 Ca 0.00 -0.50 0.05 0.00 1.31 0.00 0.00 55.95 56.80 1q9p s SER 37 Cb 0.00 0.62 0.17 0.00 0.21 0.00 0.00 66.02 67.02 1q9p s SER 37 CO 0.00 -0.02 0.46 -0.76 0.41 0.00 0.00 173.24 173.32 1q9p s LEU 38 N 1.14 4.26 0.00 2.44 1.02 -1.26 -5.11 118.68 121.18 1q9p s LEU 38 Ca 0.23 -3.68 0.00 0.00 0.02 0.00 0.00 54.13 50.70 1q9p s LEU 38 Cb 0.09 -1.45 0.00 0.00 0.02 0.00 0.00 46.19 44.85 1q9p s LEU 38 CO -0.10 -0.11 0.00 -2.65 0.02 0.00 0.00 176.35 173.51 1q9p n PRO 39 N 2.18 1.69 0.00 1.29 -0.02 -1.26 -4.80 135.00 134.08 1q9p n PRO 39 Ca 0.20 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.68 1q9p n PRO 39 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.85 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 0.00 0.94 3.44 -1.23 0.00 -1.26 -4.98 105.19 102.10 1q9p n GLY 40 Ca 0.00 -1.06 -0.28 0.00 0.00 0.00 0.00 46.02 44.68 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 1.58 -0.26 1.61 0.52 -1.26 -5.10 118.95 116.04 1q9p s ARG 41 Ca 0.00 -1.35 0.00 0.00 -0.52 0.00 0.00 55.73 53.86 1q9p s ARG 41 Cb 0.00 -1.96 0.04 0.00 0.52 0.00 0.00 34.95 33.56 1q9p s ARG 41 CO 0.00 0.44 -0.08 -1.58 0.02 0.00 0.00 175.30 174.10 1q9p s TRP 42 N -1.31 3.16 -0.52 -0.53 0.52 -1.26 -4.59 118.94 114.40 1q9p s TRP 42 Ca 0.18 -1.92 0.03 0.00 0.02 0.00 0.00 56.10 54.41 1q9p s TRP 42 Cb -0.09 -2.01 0.15 0.00 -1.15 0.00 0.00 33.47 30.36 1q9p s TRP 42 CO 0.09 -0.81 0.31 0.15 0.02 0.00 0.00 176.95 176.71 1q9p s LYS 43 N 1.22 1.69 0.22 4.98 1.02 -1.17 -5.00 119.74 122.70 1q9p s LYS 43 Ca -0.04 -2.48 -0.31 0.00 0.02 0.00 0.00 55.97 53.16 1q9p s LYS 43 Cb -0.18 -2.73 -0.14 0.00 -0.52 0.00 0.00 37.83 34.26 1q9p s LYS 43 CO -0.05 -1.20 1.22 -2.30 -0.92 0.00 0.00 175.35 172.10 1q9p n PRO 44 N 2.99 1.52 -3.98 -1.68 -0.02 -1.26 -2.21 135.00 130.36 1q9p n PRO 44 Ca 0.13 0.54 -0.10 0.00 -2.02 0.00 0.00 63.50 62.04 1q9p n PRO 44 Cb 0.35 -2.06 -0.12 0.00 -0.02 0.00 0.00 33.50 31.65 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 -0.68 0.30 0.04 -0.52 2.20 0.45 -4.89 119.74 116.62 1q9p s LYS 45 Ca 0.68 -0.52 0.09 0.00 -0.36 0.00 0.00 55.97 55.85 1q9p s LYS 45 Cb -0.75 0.02 -0.03 0.00 -1.51 0.00 0.00 37.83 35.57 1q9p s LYS 45 CO 0.53 -0.02 -0.26 1.41 -0.36 0.00 0.00 175.35 176.65 1q9p s MET 46 N -1.21 1.80 -0.03 4.03 -2.45 -1.26 -0.11 119.30 120.06 1q9p s MET 46 Ca -0.12 -1.07 0.05 0.00 -1.25 0.00 0.00 55.69 53.30 1q9p s MET 46 Cb -0.08 -1.94 -0.01 0.00 1.25 0.00 0.00 34.83 34.05 1q9p s MET 46 CO -0.01 0.51 -0.17 -1.50 1.05 0.00 0.00 175.02 174.90 1q9p s ILE 47 N -0.77 1.35 0.26 10.11 2.07 -0.95 -4.99 121.20 128.29 1q9p s ILE 47 Ca 0.11 -0.70 0.01 0.00 -1.41 0.00 0.00 60.65 58.67 1q9p s ILE 47 Cb -0.10 -1.15 -0.05 0.00 0.13 0.00 0.00 42.46 41.29 1q9p s ILE 47 CO 0.02 0.39 0.10 -0.83 -1.91 0.00 0.00 174.94 172.71 1q9p s GLY 48 N -0.12 1.78 0.00 1.50 0.00 -1.26 -1.33 107.32 107.89 1q9p s GLY 48 Ca 0.00 -1.85 0.00 0.00 0.00 0.00 0.00 44.72 42.87 1q9p s GLY 48 CO 0.01 -1.60 0.00 0.61 0.00 0.00 0.00 173.10 172.12 1q9p n GLY 49 N -0.48 0.14 3.28 0.20 0.00 -1.26 -4.79 105.19 102.27 1q9p n GLY 49 Ca 0.00 -0.49 -0.35 0.00 0.00 0.00 0.00 46.02 45.18 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 3.17 -0.54 -0.61 1.01 -1.26 -4.45 121.20 118.53 1q9p s ILE 50 Ca 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 60.65 60.09 1q9p s ILE 50 Cb 0.00 -2.43 0.00 0.00 0.01 0.00 0.00 42.46 40.04 1q9p s ILE 50 CO 0.00 0.44 0.00 0.61 0.00 0.00 0.00 174.94 175.99 1q9p n GLY 51 N 4.74 0.76 0.00 6.18 0.00 -1.26 -4.98 105.19 110.63 1q9p n GLY 51 Ca -0.19 -0.53 0.00 0.00 0.00 0.00 0.00 46.02 45.31 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 -2.00 4.50 0.50 -0.02 0.00 -1.26 -5.02 105.19 101.90 1q9p n GLY 52 Ca -0.05 -1.77 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 0.00 0.00 -4.19 1.61 7.35 -0.44 -4.84 117.46 116.95 1q9p n PHE 53 Ca 0.00 0.00 -0.18 0.00 -0.76 0.00 0.00 57.45 56.51 1q9p n PHE 53 Cb 0.00 -0.88 -0.12 0.00 0.35 0.00 0.00 39.48 38.84 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 -2.18 1.15 -0.16 -2.13 2.07 -0.93 -4.97 121.20 114.04 1q9p s ILE 54 Ca 0.00 -1.44 -0.19 0.00 -1.41 0.00 0.00 60.65 57.61 1q9p s ILE 54 Cb 0.00 -1.21 -0.03 0.00 0.13 0.00 0.00 42.46 41.35 1q9p s ILE 54 CO 0.00 -0.30 0.54 -0.75 -1.91 0.00 0.00 174.94 172.51 1q9p s LYS 55 N -2.06 4.26 0.28 3.50 2.20 -1.26 -2.25 119.74 124.40 1q9p s LYS 55 Ca 0.01 0.49 0.07 0.00 -0.36 0.00 0.00 55.97 56.18 1q9p s LYS 55 Cb -0.08 -3.52 -0.06 0.00 -1.51 0.00 0.00 37.83 32.67 1q9p s LYS 55 CO 0.02 -0.05 -0.07 0.14 -0.36 0.00 0.00 175.35 175.03 1q9p s VAL 56 N 1.31 1.70 -0.05 4.02 -7.23 0.84 -4.98 120.40 116.01 1q9p s VAL 56 Ca 0.26 -2.14 0.02 0.00 -1.81 0.00 0.00 61.98 58.32 1q9p s VAL 56 Cb -0.16 -2.42 -0.03 0.00 0.56 0.00 0.00 36.38 34.34 1q9p s VAL 56 CO 0.11 -0.32 -0.10 -0.13 -0.31 0.00 0.00 175.10 174.34 1q9p s ARG 57 N -3.71 2.60 -0.23 4.82 1.81 -1.05 -0.41 118.95 122.79 1q9p s ARG 57 Ca 0.29 -0.64 -0.06 0.00 -1.72 0.00 0.00 55.73 53.60 1q9p s ARG 57 Cb 0.03 -2.48 -0.02 0.00 -0.45 0.00 0.00 34.95 32.03 1q9p s ARG 57 CO 0.12 0.64 0.03 -1.14 -0.68 0.00 0.00 175.30 174.26 1q9p s GLN 58 N -0.85 3.60 -0.19 3.54 0.74 -0.94 0.26 119.66 125.83 1q9p s GLN 58 Ca 0.12 -0.51 -0.05 0.00 0.05 0.00 0.00 55.36 54.97 1q9p s GLN 58 Cb -0.11 -3.19 -0.03 0.00 1.10 0.00 0.00 33.01 30.79 1q9p s GLN 58 CO 0.02 -0.12 -0.01 0.71 -0.55 0.00 0.00 175.29 175.34 1q9p s TYR 59 N 1.38 3.04 0.35 1.67 1.51 -1.14 -3.05 117.35 121.12 1q9p s TYR 59 Ca 0.05 -0.39 0.05 0.00 -1.01 0.00 0.00 57.07 55.76 1q9p s TYR 59 Cb -0.15 -2.05 -0.07 0.00 -0.11 0.00 0.00 41.96 39.59 1q9p s TYR 59 CO 0.02 -0.17 0.05 -0.51 -1.11 0.00 0.00 175.55 173.83 1q9p s ASP 60 N 0.79 2.84 -1.23 2.29 1.01 -1.26 -1.49 116.67 119.61 1q9p s ASP 60 Ca -0.00 -1.39 -0.01 0.00 0.71 0.00 0.00 52.55 51.86 1q9p s ASP 60 Cb -0.14 -0.14 0.00 0.00 1.01 0.00 0.00 42.92 43.65 1q9p s ASP 60 CO 0.02 -0.58 0.13 0.00 0.21 0.00 0.00 175.17 174.95 1q9p n GLN 61 N -0.78 -1.89 -4.44 8.23 6.02 -1.26 -4.52 117.38 118.74 1q9p n GLN 61 Ca -0.03 0.70 -0.33 0.00 -0.01 0.00 0.00 57.00 57.33 1q9p n GLN 61 Cb 0.67 -5.03 -0.10 0.00 1.02 0.00 0.00 30.24 26.79 1q9p n GLN 61 CO 0.00 0.00 0.00 -1.50 -1.01 0.00 0.00 177.06 174.55 1q9p s ILE 62 N -2.82 3.86 -0.20 5.09 2.07 -1.26 -5.02 121.20 122.92 1q9p s ILE 62 Ca 0.06 -0.61 -0.10 0.00 -1.41 0.00 0.00 60.65 58.60 1q9p s ILE 62 Cb -0.03 -2.67 -0.05 0.00 0.13 0.00 0.00 42.46 39.85 1q9p s ILE 62 CO 0.08 0.45 0.13 -0.63 -1.91 0.00 0.00 174.94 173.06 1q9p s ILE 63 N -0.97 5.38 -0.09 2.00 1.01 -1.26 -2.73 121.20 124.54 1q9p s ILE 63 Ca 0.16 0.18 0.03 0.00 0.00 0.00 0.00 60.65 61.03 1q9p s ILE 63 Cb -0.11 -3.45 -0.01 0.00 0.01 0.00 0.00 42.46 38.90 1q9p s ILE 63 CO 0.06 0.45 -0.20 -0.63 0.00 0.00 0.00 174.94 174.62 1q9p s ILE 64 N 0.32 2.45 -0.21 2.92 1.01 0.47 -4.68 121.20 123.49 1q9p s ILE 64 Ca 0.08 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.77 1q9p s ILE 64 Cb -0.11 -1.96 -0.03 0.00 0.01 0.00 0.00 42.46 40.37 1q9p s ILE 64 CO -0.02 0.56 0.03 -1.61 0.00 0.00 0.00 174.94 173.90 1q9p s GLU 65 N 0.08 3.72 -0.13 2.79 2.02 -0.98 -2.00 118.70 124.20 1q9p s GLU 65 Ca -0.09 -0.47 0.01 0.00 0.02 0.00 0.00 54.97 54.44 1q9p s GLU 65 Cb -0.15 -3.17 0.02 0.00 0.10 0.00 0.00 34.13 30.93 1q9p s GLU 65 CO 0.06 0.03 -0.14 0.42 0.02 0.00 0.00 175.26 175.65 1q9p s ILE 66 N 0.98 1.49 0.00 -1.63 1.01 -0.94 -2.48 121.20 119.63 1q9p s ILE 66 Ca 0.03 -0.60 0.00 0.00 0.00 0.00 0.00 60.65 60.08 1q9p s ILE 66 Cb -0.14 -1.40 0.00 0.00 0.01 0.00 0.00 42.46 40.93 1q9p s ILE 66 CO 0.02 0.44 0.00 0.00 0.00 0.00 0.00 174.94 175.41 1q9p n ALA 67 N 4.63 0.00 0.00 9.38 0.00 -1.26 -1.69 120.51 131.56 1q9p n ALA 67 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 1q9p n ALA 67 Cb 0.50 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.95 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 3.23 0.00 0.00 -1.26 -5.16 105.19 102.00 1q9p n GLY 68 Ca 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.75 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 1.85 -0.05 1.61 3.76 -0.68 -5.13 115.29 116.65 1q9p s HIS 69 Ca 0.00 -0.36 -0.14 0.00 -0.15 0.00 0.00 55.06 54.41 1q9p s HIS 69 Cb 0.00 -1.17 -0.05 0.00 1.11 0.00 0.00 32.58 32.47 1q9p s HIS 69 CO 0.00 0.00 0.36 0.15 -0.85 0.00 0.00 174.74 174.40 1q9p s LYS 70 N -0.67 3.93 0.01 1.40 1.02 -1.26 -2.21 119.74 121.96 1q9p s LYS 70 Ca 0.08 0.30 -0.12 0.00 0.02 0.00 0.00 55.97 56.24 1q9p s LYS 70 Cb -0.08 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.98 1q9p s LYS 70 CO -0.00 0.60 0.26 0.00 -0.92 0.00 0.00 175.35 175.28 1q9p s ALA 71 N -0.71 -0.61 -0.14 5.17 0.00 -0.85 -4.68 121.76 119.95 1q9p s ALA 71 Ca 0.22 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.23 1q9p s ALA 71 Cb -0.15 0.19 -0.01 0.00 0.00 0.00 0.00 23.12 23.15 1q9p s ALA 71 CO 0.10 -0.31 -0.14 0.42 0.00 0.00 0.00 175.76 175.83 1q9p s ILE 72 N -1.92 2.81 0.15 0.00 1.01 -1.26 -0.39 121.20 121.60 1q9p s ILE 72 Ca -0.10 -0.73 -0.24 0.00 0.00 0.00 0.00 60.65 59.58 1q9p s ILE 72 Cb -0.04 -2.18 0.07 0.00 0.01 0.00 0.00 42.46 40.32 1q9p s ILE 72 CO 0.00 0.52 0.70 -0.83 0.00 0.00 0.00 174.94 175.33 1q9p s GLY 73 N 0.63 -0.47 0.25 6.18 0.00 -1.10 -5.02 107.32 107.80 1q9p s GLY 73 Ca -0.08 0.42 -0.23 0.00 0.00 0.00 0.00 44.72 44.83 1q9p s GLY 73 CO 0.03 0.14 0.82 -1.59 0.00 0.00 0.00 173.10 172.49 1q9p s THR 74 N -3.62 4.40 -0.22 0.90 2.01 -1.26 -4.23 115.64 113.62 1q9p s THR 74 Ca 0.04 1.56 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 1q9p s THR 74 Cb -0.02 -3.96 0.07 0.00 0.01 0.00 0.00 72.50 68.60 1q9p s THR 74 CO -0.08 0.23 0.10 0.68 -0.69 0.00 0.00 174.62 174.86 1q9p s VAL 75 N -1.50 0.04 0.37 3.82 -7.23 -0.56 -4.90 120.40 110.44 1q9p s VAL 75 Ca 0.45 -0.45 -0.26 0.00 -1.81 0.00 0.00 61.98 59.90 1q9p s VAL 75 Cb -0.18 -0.81 -0.09 0.00 0.56 0.00 0.00 36.38 35.86 1q9p s VAL 75 CO 0.23 -0.42 1.17 -0.76 -0.31 0.00 0.00 175.10 175.00 1q9p s LEU 76 N 2.07 4.27 -0.16 1.32 2.01 -1.21 -2.88 118.68 124.10 1q9p s LEU 76 Ca 0.04 2.36 -0.04 0.00 0.01 0.00 0.00 54.13 56.50 1q9p s LEU 76 Cb -0.16 -3.92 -0.03 0.00 0.01 0.00 0.00 46.19 42.09 1q9p s LEU 76 CO -0.18 -0.56 -0.03 -0.69 1.01 0.00 0.00 176.35 175.90 1q9p s VAL 77 N -1.36 3.95 0.28 -1.59 1.01 0.14 -1.58 120.40 121.25 1q9p s VAL 77 Ca 0.54 -0.34 0.03 0.00 0.00 0.00 0.00 61.98 62.22 1q9p s VAL 77 Cb -0.31 -2.74 -0.03 0.00 0.00 0.00 0.00 36.38 33.30 1q9p s VAL 77 CO 0.40 0.49 0.23 -0.83 0.00 0.00 0.00 175.10 175.39 1q9p s GLY 78 N 0.39 1.91 0.21 4.51 0.00 -0.60 -2.52 107.32 111.22 1q9p s GLY 78 Ca -0.03 -1.88 0.18 0.00 0.00 0.00 0.00 44.72 42.98 1q9p s GLY 78 CO 0.03 -1.41 1.55 -1.55 0.00 0.00 0.00 173.10 171.71 1q9p n PRO 79 N -0.47 0.12 -1.37 2.90 -0.04 -1.26 -3.71 135.00 131.17 1q9p n PRO 79 Ca 0.05 0.50 -0.47 0.00 -0.04 0.00 0.00 63.50 63.54 1q9p n PRO 79 Cb 0.64 -1.80 -0.03 0.00 -0.04 0.00 0.00 33.50 32.27 1q9p n PRO 79 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 1q9p n THR 80 N -2.04 1.82 0.19 0.52 5.66 -1.26 -4.83 114.28 114.34 1q9p n THR 80 Ca 0.01 -0.49 0.05 0.00 -3.05 0.00 0.00 64.05 60.56 1q9p n THR 80 Cb 0.11 0.00 0.37 0.00 -1.55 0.00 0.00 70.33 69.26 1q9p n THR 80 CO 0.00 0.00 0.00 1.55 -3.05 0.00 0.00 175.07 173.57 1q9p h PRO 81 N 0.91 0.00 0.00 1.09 0.13 -1.97 -3.31 132.00 128.85 1q9p h PRO 81 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 1q9p h PRO 81 Cb 1.42 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.55 1q9p h PRO 81 CO 0.55 0.37 0.00 0.28 -0.23 0.00 0.00 178.00 178.97 1q9p n VAL 82 N -3.70 0.00 -4.81 1.56 0.31 -1.26 -4.77 118.33 105.66 1q9p n VAL 82 Ca -0.01 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.07 1q9p n VAL 82 Cb 0.46 0.00 -0.15 0.00 -0.91 0.00 0.00 33.84 33.24 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 1.00 2.01 -0.06 4.52 0.01 -1.26 -2.05 114.94 119.10 1q9p s ASN 83 Ca 0.00 -0.31 0.02 0.00 -0.71 0.00 0.00 52.86 51.86 1q9p s ASN 83 Cb 0.00 -0.29 0.01 0.00 0.41 0.00 0.00 41.25 41.39 1q9p s ASN 83 CO 0.00 0.20 -0.10 -0.51 -1.51 0.00 0.00 177.10 175.17 1q9p s ILE 84 N -0.31 0.99 0.25 0.60 2.07 -0.57 -2.01 121.20 122.22 1q9p s ILE 84 Ca 0.05 -0.40 0.05 0.00 -1.41 0.00 0.00 60.65 58.93 1q9p s ILE 84 Cb -0.07 -0.92 -0.05 0.00 0.13 0.00 0.00 42.46 41.54 1q9p s ILE 84 CO -0.00 0.32 -0.02 0.27 -1.91 0.00 0.00 174.94 173.60 1q9p s ILE 85 N 0.69 1.27 0.00 2.00 -4.36 -0.92 -2.27 121.20 117.61 1q9p s ILE 85 Ca -0.14 -2.06 0.00 0.00 -0.26 0.00 0.00 60.65 58.19 1q9p s ILE 85 Cb -0.15 -2.40 0.00 0.00 1.25 0.00 0.00 42.46 41.15 1q9p s ILE 85 CO 0.03 -0.30 0.00 0.61 0.24 0.00 0.00 174.94 175.52 1q9p n GLY 86 N -0.49 1.79 0.54 6.27 0.00 -1.25 0.13 105.19 112.19 1q9p n GLY 86 Ca -0.05 0.24 0.44 0.00 0.00 0.00 0.00 46.02 46.64 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 0.01 -7.00 1.61 3.08 -1.71 -2.91 114.38 107.47 1q9p h ARG 87 Ca 0.00 -0.00 -0.52 0.00 0.07 0.00 0.00 59.98 59.53 1q9p h ARG 87 Cb 0.00 -0.00 0.09 0.00 0.08 0.00 0.00 29.97 30.13 1q9p h ARG 87 CO 0.00 0.01 0.55 1.21 -1.07 0.00 0.00 179.97 180.67 1q9p s ASN 88 N -4.21 5.96 0.00 7.04 2.47 -1.26 -2.18 114.94 122.76 1q9p s ASN 88 Ca -0.07 2.52 0.00 0.00 0.42 0.00 0.00 52.86 55.73 1q9p s ASN 88 Cb 0.30 -2.62 0.00 0.00 -1.45 0.00 0.00 41.25 37.48 1q9p s ASN 88 CO 0.85 -1.08 0.00 0.18 -3.72 0.00 0.00 177.10 173.33 1q9p n LEU 89 N -0.48 0.00 -0.17 3.21 4.77 -1.26 -4.39 117.00 118.68 1q9p n LEU 89 Ca 0.07 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 56.00 1q9p n LEU 89 Cb 0.46 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.59 1q9p n LEU 89 CO 0.51 0.00 1.06 0.25 -1.33 0.00 0.00 177.39 177.88 1q9p h LEU 90 N 0.00 0.50 -0.81 2.23 5.85 -1.49 -2.29 115.31 119.30 1q9p h LEU 90 Ca 0.00 0.00 0.01 0.00 0.84 0.00 0.00 57.88 58.74 1q9p h LEU 90 Cb 0.00 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 40.89 1q9p h LEU 90 CO 0.00 0.35 0.53 0.74 -0.34 0.00 0.00 178.44 179.73 1q9p h THR 91 N 0.62 1.19 -3.42 1.05 2.02 -1.64 -3.36 112.91 109.37 1q9p h THR 91 Ca 0.21 -0.37 -0.63 0.00 0.77 0.00 0.00 66.41 66.38 1q9p h THR 91 Cb 0.02 0.02 -0.40 0.00 -1.74 0.00 0.00 68.15 66.05 1q9p h THR 91 CO -0.09 0.20 -0.71 -1.58 0.37 0.00 0.00 175.52 173.71 1q9p s GLN 92 N -6.13 1.43 0.61 6.66 0.74 -0.88 -4.94 119.66 117.15 1q9p s GLN 92 Ca -0.13 -1.93 0.38 0.00 0.05 0.00 0.00 55.36 53.73 1q9p s GLN 92 Cb 0.16 -2.90 1.93 0.00 1.10 0.00 0.00 33.01 33.30 1q9p s GLN 92 CO 0.79 -1.02 2.21 0.97 -0.55 0.00 0.00 175.29 177.68 1q9p h ILE 93 N 6.14 0.12 0.00 -2.34 2.10 -1.67 -3.42 117.51 118.44 1q9p h ILE 93 Ca -0.06 -0.24 0.00 0.00 1.08 0.00 0.00 64.86 65.64 1q9p h ILE 93 Cb 0.98 1.21 0.00 0.00 -1.09 0.00 0.00 36.82 37.91 1q9p h ILE 93 CO 0.55 0.02 0.00 0.61 -1.08 0.00 0.00 178.15 178.25 1q9p n GLY 94 N -0.70 0.79 0.00 8.18 0.00 -1.26 -4.69 105.19 107.51 1q9p n GLY 94 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32