#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 0.25 -1.00 0.54 4.20 -2.09 -1.64 115.11 115.37 1q9p h GLN 2 Ca 0.00 -0.02 0.18 0.00 0.06 0.00 0.00 58.65 58.88 1q9p h GLN 2 Cb 0.00 -0.06 -0.10 0.00 0.30 0.00 0.00 27.48 27.62 1q9p h GLN 2 CO 0.00 0.17 0.62 0.82 -0.67 0.00 0.00 178.83 179.76 1q9p h ILE 3 N 0.26 0.73 -4.06 2.54 2.04 -2.12 -3.39 117.51 113.51 1q9p h ILE 3 Ca 0.07 -0.26 -0.67 0.00 1.00 0.00 0.00 64.86 64.99 1q9p h ILE 3 Cb -0.03 -0.10 -0.31 0.00 -0.74 0.00 0.00 36.82 35.64 1q9p h ILE 3 CO -0.02 0.14 -0.88 -0.89 0.00 0.00 0.00 178.15 176.51 1q9p s THR 4 N -5.83 1.97 -0.19 -0.27 2.01 -0.62 -5.12 115.64 107.60 1q9p s THR 4 Ca -0.11 -1.03 -0.15 0.00 0.31 0.00 0.00 61.69 60.71 1q9p s THR 4 Cb 0.24 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.04 1q9p s THR 4 CO 0.80 0.55 0.35 -1.48 -0.69 0.00 0.00 174.62 174.15 1q9p s LEU 5 N -0.18 4.18 0.29 4.42 2.34 -1.26 -4.86 118.68 123.60 1q9p s LEU 5 Ca -0.02 0.49 -0.01 0.00 0.06 0.00 0.00 54.13 54.64 1q9p s LEU 5 Cb -0.13 -2.45 0.47 0.00 -0.56 0.00 0.00 46.19 43.52 1q9p s LEU 5 CO 0.03 -0.01 1.92 -0.50 -1.06 0.00 0.00 176.35 176.72 1q9p h TRP 6 N 7.18 1.10 -3.64 3.48 4.06 -1.97 -3.48 115.95 122.68 1q9p h TRP 6 Ca -0.38 0.03 0.00 0.00 2.06 0.00 0.00 58.89 60.60 1q9p h TRP 6 Cb 1.16 -0.36 0.00 0.00 -1.00 0.00 0.00 29.16 28.96 1q9p h TRP 6 CO 0.65 0.60 -0.79 1.17 -3.56 0.00 0.00 178.44 176.51 1q9p n LYS 7 N -4.47 -3.95 -1.30 0.49 4.81 -1.26 -4.83 118.16 107.64 1q9p n LYS 7 Ca 0.13 2.95 -0.35 0.00 -0.87 0.00 0.00 58.31 60.18 1q9p n LYS 7 Cb 0.15 -3.45 0.11 0.00 0.02 0.00 0.00 35.03 31.86 1q9p n LYS 7 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1q9p n ARG 8 N -1.01 0.47 -1.26 1.64 3.00 -1.26 -4.89 116.66 113.35 1q9p n ARG 8 Ca 0.00 0.23 -0.38 0.00 -0.01 0.00 0.00 57.85 57.69 1q9p n ARG 8 Cb 0.03 -2.42 0.02 0.00 0.00 0.00 0.00 32.46 30.09 1q9p n ARG 8 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.63 175.33 1q9p n PRO 9 N -2.68 0.10 0.00 5.56 -0.02 -1.26 -4.95 135.00 131.76 1q9p n PRO 9 Ca 0.14 0.04 0.00 0.00 -2.02 0.00 0.00 63.50 61.66 1q9p n PRO 9 Cb 0.50 -1.18 0.00 0.00 -0.02 0.00 0.00 33.50 32.80 1q9p n PRO 9 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 1q9p n LEU 10 N 2.07 0.00 -4.15 2.45 7.94 -1.26 -5.05 117.00 119.00 1q9p n LEU 10 Ca 0.08 0.00 -0.21 0.00 -1.11 0.00 0.00 56.01 54.77 1q9p n LEU 10 Cb 0.48 0.00 -0.14 0.00 0.53 0.00 0.00 43.42 44.30 1q9p n LEU 10 CO 0.53 -1.15 -0.47 0.54 -1.11 0.00 0.00 177.39 175.73 1q9p s VAL 11 N -0.65 1.17 0.18 1.96 0.11 -1.26 -5.15 120.40 116.75 1q9p s VAL 11 Ca 0.00 -0.95 0.05 0.00 -2.93 0.00 0.00 61.98 58.16 1q9p s VAL 11 Cb 0.00 -1.04 -0.05 0.00 -1.53 0.00 0.00 36.38 33.77 1q9p s VAL 11 CO 0.00 0.08 -0.10 0.42 -3.33 0.00 0.00 175.10 172.17 1q9p s THR 12 N -0.75 1.35 0.21 5.04 -4.23 -1.26 -4.21 115.64 111.80 1q9p s THR 12 Ca 0.03 -2.11 0.10 0.00 -1.18 0.00 0.00 61.69 58.53 1q9p s THR 12 Cb -0.07 -1.99 -0.05 0.00 1.34 0.00 0.00 72.50 71.73 1q9p s THR 12 CO 0.01 -0.64 -0.18 0.27 -0.54 0.00 0.00 174.62 173.54 1q9p s ILE 13 N -3.21 2.05 -0.20 2.99 -4.36 -1.04 -4.76 121.20 112.67 1q9p s ILE 13 Ca 0.20 -2.16 0.01 0.00 -0.26 0.00 0.00 60.65 58.45 1q9p s ILE 13 Cb 0.02 -2.07 0.03 0.00 1.25 0.00 0.00 42.46 41.69 1q9p s ILE 13 CO 0.04 -0.40 -0.17 -0.54 0.24 0.00 0.00 174.94 174.11 1q9p s LYS 14 N -3.24 2.72 -0.35 0.37 1.02 -1.08 -2.35 119.74 116.83 1q9p s LYS 14 Ca 0.22 -0.94 0.01 0.00 0.02 0.00 0.00 55.97 55.29 1q9p s LYS 14 Cb -0.04 -2.61 0.10 0.00 -0.52 0.00 0.00 37.83 34.75 1q9p s LYS 14 CO 0.09 -0.31 0.09 0.42 -0.92 0.00 0.00 175.35 174.72 1q9p s ILE 15 N 1.26 2.68 -0.25 2.17 -1.09 -0.88 -2.39 121.20 122.70 1q9p s ILE 15 Ca 0.01 -2.11 0.00 0.00 -2.23 0.00 0.00 60.65 56.32 1q9p s ILE 15 Cb -0.15 -2.86 0.00 0.00 -1.58 0.00 0.00 42.46 37.87 1q9p s ILE 15 CO -0.11 -0.55 0.00 0.61 -1.23 0.00 0.00 174.94 173.66 1q9p n GLY 16 N 4.41 0.57 0.60 6.18 0.00 -1.26 -2.54 105.19 113.15 1q9p n GLY 16 Ca -0.01 -0.47 0.00 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.33 0.79 3.87 -0.02 0.00 -1.26 -5.07 105.19 101.17 1q9p n GLY 17 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.74 3.59 -0.14 1.61 -0.21 -1.05 -5.07 119.66 117.64 1q9p s GLN 18 Ca 0.00 0.04 -0.20 0.00 0.02 0.00 0.00 55.36 55.22 1q9p s GLN 18 Cb 0.00 -3.19 -0.03 0.00 1.00 0.00 0.00 33.01 30.78 1q9p s GLN 18 CO 0.00 0.75 0.57 -0.51 -2.12 0.00 0.00 175.29 173.97 1q9p s LEU 19 N -1.09 4.23 0.08 2.90 1.43 -1.26 -2.08 118.68 122.89 1q9p s LEU 19 Ca 0.18 0.87 0.02 0.00 -1.03 0.00 0.00 54.13 54.18 1q9p s LEU 19 Cb -0.13 -2.83 -0.04 0.00 0.03 0.00 0.00 46.19 43.22 1q9p s LEU 19 CO 0.08 -0.12 -0.08 -0.54 0.23 0.00 0.00 176.35 175.92 1q9p s LYS 20 N 1.16 0.75 -0.11 1.70 1.02 -0.99 -5.03 119.74 118.23 1q9p s LYS 20 Ca 0.29 -1.13 -0.01 0.00 0.02 0.00 0.00 55.97 55.13 1q9p s LYS 20 Cb -0.16 -0.29 -0.03 0.00 -0.52 0.00 0.00 37.83 36.83 1q9p s LYS 20 CO 0.12 0.02 -0.06 -2.00 -0.92 0.00 0.00 175.35 172.51 1q9p s GLU 21 N -2.98 3.21 0.01 1.68 2.12 -1.26 -2.50 118.70 118.99 1q9p s GLU 21 Ca 0.04 -0.55 -0.11 0.00 0.36 0.00 0.00 54.97 54.71 1q9p s GLU 21 Cb -0.01 -2.73 0.01 0.00 0.26 0.00 0.00 34.13 31.66 1q9p s GLU 21 CO -0.02 0.44 0.23 0.00 -0.54 0.00 0.00 175.26 175.37 1q9p s ALA 22 N -0.19 -0.54 0.04 6.30 0.00 -1.26 -4.25 121.76 121.86 1q9p s ALA 22 Ca 0.03 0.00 0.02 0.00 0.00 0.00 0.00 51.96 52.01 1q9p s ALA 22 Cb -0.13 0.17 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 1q9p s ALA 22 CO 0.03 -0.29 0.03 -0.51 0.00 0.00 0.00 175.76 175.01 1q9p s LEU 23 N -1.64 3.62 0.06 0.00 1.43 -1.04 -4.79 118.68 116.32 1q9p s LEU 23 Ca -0.10 -0.03 -0.21 0.00 -1.03 0.00 0.00 54.13 52.75 1q9p s LEU 23 Cb -0.04 -2.20 -0.06 0.00 0.03 0.00 0.00 46.19 43.91 1q9p s LEU 23 CO 0.00 0.23 0.64 -0.76 0.23 0.00 0.00 176.35 176.69 1q9p s LEU 24 N -1.95 4.49 -0.32 1.79 1.43 -1.26 -2.26 118.68 120.60 1q9p s LEU 24 Ca 0.24 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.64 1q9p s LEU 24 Cb -0.12 -3.02 0.13 0.00 0.03 0.00 0.00 46.19 43.21 1q9p s LEU 24 CO 0.15 0.17 0.21 -0.62 0.23 0.00 0.00 176.35 176.49 1q9p s ASP 25 N -0.68 2.86 0.63 2.29 2.15 -0.67 -4.91 116.67 118.35 1q9p s ASP 25 Ca 0.32 -1.63 0.40 0.00 0.43 0.00 0.00 52.55 52.07 1q9p s ASP 25 Cb -0.20 -0.18 2.16 0.00 -0.30 0.00 0.00 42.92 44.40 1q9p s ASP 25 CO 0.20 -0.36 2.29 0.74 -0.17 0.00 0.00 175.17 177.87 1q9p h THR 26 N 5.68 0.11 0.00 1.71 2.02 -1.93 -0.48 112.91 120.02 1q9p h THR 26 Ca -0.06 -0.10 0.00 0.00 0.77 0.00 0.00 66.41 67.02 1q9p h THR 26 Cb 1.00 1.09 0.00 0.00 -1.74 0.00 0.00 68.15 68.50 1q9p h THR 26 CO 0.33 0.01 0.00 1.23 0.37 0.00 0.00 175.52 177.46 1q9p h GLY 27 N 0.32 0.00 -6.76 2.16 0.00 -1.93 -3.42 103.07 93.44 1q9p h GLY 27 Ca -0.00 0.00 -0.62 0.00 0.00 0.00 0.00 47.33 46.71 1q9p h GLY 27 CO 0.00 0.00 0.11 0.00 0.00 0.00 0.00 176.54 176.66 1q9p s ALA 28 N -3.45 3.53 0.26 3.60 0.00 -0.19 -4.94 121.76 120.57 1q9p s ALA 28 Ca 0.04 -0.69 -0.00 0.00 0.00 0.00 0.00 51.96 51.30 1q9p s ALA 28 Cb 0.09 -3.08 0.34 0.00 0.00 0.00 0.00 23.12 20.47 1q9p s ALA 28 CO 0.54 -1.08 1.71 -0.44 0.00 0.00 0.00 175.76 176.50 1q9p h ASP 29 N 8.22 0.63 -4.98 0.00 3.32 -1.85 0.33 116.42 122.09 1q9p h ASP 29 Ca -0.27 -0.20 -0.54 0.00 0.02 0.00 0.00 57.03 56.04 1q9p h ASP 29 Cb 1.12 -0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.42 1q9p h ASP 29 CO 0.79 0.82 -0.35 0.47 -1.72 0.00 0.00 179.24 179.25 1q9p n ASP 30 N -4.15 2.96 -4.33 6.45 8.00 -1.26 -2.84 116.55 121.38 1q9p n ASP 30 Ca 0.00 -2.80 -0.32 0.00 0.71 0.00 0.00 54.79 52.39 1q9p n ASP 30 Cb 0.38 0.19 -0.15 0.00 -0.02 0.00 0.00 41.12 41.52 1q9p n ASP 30 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1q9p s THR 31 N -2.47 2.54 -0.04 -3.53 2.01 -1.26 -2.49 115.64 110.39 1q9p s THR 31 Ca 0.09 -0.88 0.04 0.00 0.31 0.00 0.00 61.69 61.25 1q9p s THR 31 Cb -0.01 -1.99 -0.00 0.00 0.01 0.00 0.00 72.50 70.51 1q9p s THR 31 CO 0.06 0.56 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.69 1q9p s VAL 32 N -0.09 1.40 -0.05 3.82 1.01 -0.96 -3.22 120.40 122.32 1q9p s VAL 32 Ca -0.04 -0.71 0.06 0.00 0.00 0.00 0.00 61.98 61.29 1q9p s VAL 32 Cb -0.14 -1.20 -0.02 0.00 0.00 0.00 0.00 36.38 35.03 1q9p s VAL 32 CO 0.04 0.40 -0.24 -0.63 0.00 0.00 0.00 175.10 174.67 1q9p s ILE 33 N -0.04 2.17 0.75 2.22 1.01 -0.77 -1.49 121.20 125.05 1q9p s ILE 33 Ca -0.02 -1.04 -0.16 0.00 0.00 0.00 0.00 60.65 59.43 1q9p s ILE 33 Cb -0.10 -1.78 -0.06 0.00 0.01 0.00 0.00 42.46 40.53 1q9p s ILE 33 CO 0.02 0.57 0.26 -1.84 0.00 0.00 0.00 174.94 173.95 1q9p n GLU 34 N 2.74 0.16 -1.67 2.79 0.28 -0.60 -0.30 120.64 124.04 1q9p n GLU 34 Ca -0.17 0.08 -0.44 0.00 -0.16 0.00 0.00 57.16 56.47 1q9p n GLU 34 Cb 0.52 -1.62 -0.02 0.00 1.43 0.00 0.00 31.44 31.75 1q9p n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 1q9p n GLU 35 N -0.15 1.95 -3.70 3.44 4.07 0.23 -4.57 120.64 121.90 1q9p n GLU 35 Ca 0.08 0.69 -0.03 0.00 -0.06 0.00 0.00 57.16 57.84 1q9p n GLU 35 Cb 0.51 -2.29 -0.01 0.00 -0.06 0.00 0.00 31.44 29.59 1q9p n GLU 35 CO 0.00 0.00 0.00 1.41 -0.06 0.00 0.00 177.13 178.48 1q9p s MET 36 N -0.93 0.99 -0.11 5.31 1.75 -1.26 -5.03 119.30 120.02 1q9p s MET 36 Ca 0.64 -0.53 -0.04 0.00 -1.25 0.00 0.00 55.69 54.51 1q9p s MET 36 Cb -0.64 0.34 -0.04 0.00 2.84 0.00 0.00 34.83 37.34 1q9p s MET 36 CO 0.54 -0.45 0.04 -1.12 -0.65 0.00 0.00 175.02 173.38 1q9p s SER 37 N -2.90 5.55 0.01 1.11 0.01 -1.26 -5.11 113.70 111.11 1q9p s SER 37 Ca 0.12 0.21 -0.03 0.00 1.31 0.00 0.00 55.95 57.56 1q9p s SER 37 Cb -0.00 -1.68 -0.01 0.00 0.21 0.00 0.00 66.02 64.54 1q9p s SER 37 CO -0.00 0.36 0.04 -0.76 0.41 0.00 0.00 173.24 173.30 1q9p s LEU 38 N -0.77 1.92 0.48 2.44 1.43 -1.26 -5.16 118.68 117.77 1q9p s LEU 38 Ca 0.12 -0.31 -0.21 0.00 -1.03 0.00 0.00 54.13 52.71 1q9p s LEU 38 Cb -0.12 0.33 -0.08 0.00 0.03 0.00 0.00 46.19 46.35 1q9p s LEU 38 CO 0.03 -0.29 1.06 -2.16 0.23 0.00 0.00 176.35 175.22 1q9p s PRO 39 N -1.23 3.76 0.00 1.29 0.04 -1.26 -4.92 135.00 132.68 1q9p s PRO 39 Ca -0.13 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.36 1q9p s PRO 39 Cb -0.08 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.31 1q9p s PRO 39 CO 0.00 -0.48 0.00 0.41 0.04 0.00 0.00 177.00 176.97 1q9p n GLY 40 N -0.06 1.80 3.75 0.56 0.00 -1.26 -5.03 105.19 104.96 1q9p n GLY 40 Ca 0.09 -2.03 -0.36 0.00 0.00 0.00 0.00 46.02 43.72 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 -2.12 2.98 0.16 1.61 0.52 -1.26 -5.05 118.95 115.79 1q9p s ARG 41 Ca 0.00 1.81 0.00 0.00 -0.52 0.00 0.00 55.73 57.02 1q9p s ARG 41 Cb 0.00 -1.93 -0.04 0.00 0.52 0.00 0.00 34.95 33.49 1q9p s ARG 41 CO 0.00 -1.19 0.04 1.67 0.02 0.00 0.00 175.30 175.84 1q9p s TRP 42 N -1.62 1.07 0.01 -0.53 1.48 -1.26 -4.78 118.94 113.31 1q9p s TRP 42 Ca 0.77 -1.14 -0.00 0.00 -1.06 0.00 0.00 56.10 54.67 1q9p s TRP 42 Cb -0.30 -0.61 -0.01 0.00 -1.16 0.00 0.00 33.47 31.40 1q9p s TRP 42 CO 0.33 -0.38 -0.01 0.15 -4.06 0.00 0.00 176.95 172.98 1q9p s LYS 43 N -3.99 0.13 0.17 3.25 1.02 -1.03 -5.02 119.74 114.26 1q9p s LYS 43 Ca 0.25 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.69 1q9p s LYS 43 Cb 0.07 0.05 -0.07 0.00 -0.52 0.00 0.00 37.83 37.35 1q9p s LYS 43 CO 0.04 -0.02 1.08 -1.25 -0.92 0.00 0.00 175.35 174.28 1q9p s PRO 44 N -0.60 4.61 0.02 -1.68 0.04 -1.26 -1.86 135.00 134.26 1q9p s PRO 44 Ca -0.07 1.68 0.04 0.00 0.04 0.00 0.00 61.00 62.70 1q9p s PRO 44 Cb -0.04 -3.29 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 1q9p s PRO 44 CO -0.00 0.09 -0.12 0.21 0.04 0.00 0.00 177.00 177.21 1q9p s LYS 45 N -0.30 0.88 0.06 4.56 2.20 0.52 -4.91 119.74 122.75 1q9p s LYS 45 Ca 0.49 -0.58 0.09 0.00 -0.36 0.00 0.00 55.97 55.61 1q9p s LYS 45 Cb -0.29 -0.85 -0.03 0.00 -1.51 0.00 0.00 37.83 35.15 1q9p s LYS 45 CO 0.34 0.22 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.67 1q9p s MET 46 N -0.74 1.57 -0.05 4.03 -1.94 -1.26 0.13 119.30 121.04 1q9p s MET 46 Ca 0.02 -1.09 0.04 0.00 -1.71 0.00 0.00 55.69 52.95 1q9p s MET 46 Cb -0.06 -1.78 0.00 0.00 2.01 0.00 0.00 34.83 35.00 1q9p s MET 46 CO 0.00 0.45 -0.17 -1.50 -0.01 0.00 0.00 175.02 173.80 1q9p s ILE 47 N -0.86 1.41 0.00 2.53 2.07 -0.82 -4.96 121.20 120.58 1q9p s ILE 47 Ca 0.10 -0.69 0.00 0.00 -1.41 0.00 0.00 60.65 58.66 1q9p s ILE 47 Cb -0.10 -1.23 0.00 0.00 0.13 0.00 0.00 42.46 41.26 1q9p s ILE 47 CO 0.03 0.41 0.00 0.61 -1.91 0.00 0.00 174.94 174.08 1q9p n GLY 48 N 3.33 1.91 7.00 1.50 0.00 -1.26 -1.65 105.19 116.03 1q9p n GLY 48 Ca -0.19 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.60 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 1.83 3.37 3.21 -0.02 0.00 -1.26 -3.04 105.19 109.29 1q9p n GLY 49 Ca 0.00 -0.12 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 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 2.43 -0.26 -0.61 1.01 -1.26 -4.57 121.20 117.95 1q9p s ILE 50 Ca 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 60.65 59.81 1q9p s ILE 50 Cb 0.00 -2.02 0.00 0.00 0.01 0.00 0.00 42.46 40.45 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 4.25 0.55 3.14 6.18 0.00 -1.26 -5.03 105.19 113.03 1q9p n GLY 51 Ca -0.20 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.76 1q9p n GLY 51 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1q9p s GLY 52 N -2.97 0.68 0.00 -0.02 0.00 -1.17 -5.06 107.32 98.78 1q9p s GLY 52 Ca 0.00 -1.28 0.00 0.00 0.00 0.00 0.00 44.72 43.44 1q9p s GLY 52 CO 0.00 -1.38 0.00 0.33 0.00 0.00 0.00 173.10 172.05 1q9p n PHE 53 N 0.10 0.00 -4.21 1.90 7.35 -0.66 -4.46 117.46 117.48 1q9p n PHE 53 Ca -0.13 0.00 -0.19 0.00 -0.76 0.00 0.00 57.45 56.37 1q9p n PHE 53 Cb 0.60 0.00 -0.12 0.00 0.35 0.00 0.00 39.48 40.31 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 1.14 -0.15 -2.13 2.07 -0.92 -4.98 121.20 116.24 1q9p s ILE 54 Ca 0.00 -1.26 -0.18 0.00 -1.41 0.00 0.00 60.65 57.80 1q9p s ILE 54 Cb 0.00 -1.08 -0.04 0.00 0.13 0.00 0.00 42.46 41.47 1q9p s ILE 54 CO 0.00 -0.17 0.50 -0.75 -1.91 0.00 0.00 174.94 172.61 1q9p s LYS 55 N -1.63 4.29 0.24 3.50 2.20 -1.26 -1.94 119.74 125.14 1q9p s LYS 55 Ca -0.01 0.45 0.03 0.00 -0.36 0.00 0.00 55.97 56.08 1q9p s LYS 55 Cb -0.10 -3.48 -0.05 0.00 -1.51 0.00 0.00 37.83 32.69 1q9p s LYS 55 CO 0.02 0.04 0.04 0.14 -0.36 0.00 0.00 175.35 175.24 1q9p s VAL 56 N 1.00 0.84 0.19 4.02 -7.23 0.36 -4.93 120.40 114.64 1q9p s VAL 56 Ca 0.26 -2.01 0.11 0.00 -1.81 0.00 0.00 61.98 58.53 1q9p s VAL 56 Cb -0.15 -2.48 -0.04 0.00 0.56 0.00 0.00 36.38 34.27 1q9p s VAL 56 CO 0.10 -0.19 -0.21 0.00 -0.31 0.00 0.00 175.10 174.49 1q9p s ARG 57 N -3.93 1.62 0.06 4.82 1.70 -0.87 0.20 118.95 122.54 1q9p s ARG 57 Ca 0.32 -1.47 -0.03 0.00 -0.47 0.00 0.00 55.73 54.08 1q9p s ARG 57 Cb 0.07 -1.91 -0.03 0.00 -0.57 0.00 0.00 34.95 32.51 1q9p s ARG 57 CO 0.11 0.41 0.03 1.14 -1.08 0.00 0.00 175.30 175.91 1q9p s GLN 58 N -2.68 0.66 -0.08 3.89 -2.07 -0.78 -0.68 119.66 117.93 1q9p s GLN 58 Ca 0.21 -1.12 0.05 0.00 -1.82 0.00 0.00 55.36 52.69 1q9p s GLN 58 Cb -0.08 0.24 -0.00 0.00 -1.09 0.00 0.00 33.01 32.08 1q9p s GLN 58 CO 0.11 -0.15 -0.24 0.71 -1.32 0.00 0.00 175.29 174.40 1q9p s TYR 59 N -3.78 2.43 -1.02 9.60 1.51 -1.10 -2.47 117.35 122.52 1q9p s TYR 59 Ca 0.05 -0.85 0.11 0.00 -1.01 0.00 0.00 57.07 55.38 1q9p s TYR 59 Cb 0.06 -1.61 0.32 0.00 -0.11 0.00 0.00 41.96 40.62 1q9p s TYR 59 CO -0.10 -0.31 1.26 -0.25 -1.11 0.00 0.00 175.55 175.04 1q9p n ASP 60 N 3.23 2.95 -2.73 2.29 8.00 -1.26 -0.87 116.55 128.16 1q9p n ASP 60 Ca -0.18 -1.98 -0.10 0.00 0.71 0.00 0.00 54.79 53.24 1q9p n ASP 60 Cb 0.52 -0.24 0.04 0.00 -0.02 0.00 0.00 41.12 41.43 1q9p n ASP 60 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1q9p n GLN 61 N 0.59 1.13 -4.35 -1.24 6.02 -1.26 -4.58 117.38 113.69 1q9p n GLN 61 Ca 0.12 -2.94 -0.26 0.00 -0.01 0.00 0.00 57.00 53.91 1q9p n GLN 61 Cb 0.43 -1.05 -0.10 0.00 1.02 0.00 0.00 30.24 30.54 1q9p n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1q9p s ILE 62 N -2.27 2.85 -0.10 5.09 1.01 -1.25 -5.02 121.20 121.50 1q9p s ILE 62 Ca 0.27 -1.86 -0.00 0.00 0.00 0.00 0.00 60.65 59.06 1q9p s ILE 62 Cb 0.43 -2.41 -0.03 0.00 0.01 0.00 0.00 42.46 40.46 1q9p s ILE 62 CO -0.00 -0.15 -0.08 -0.51 0.00 0.00 0.00 174.94 174.20 1q9p s ILE 63 N -1.78 3.55 -0.07 2.92 2.07 -1.26 -2.65 121.20 123.97 1q9p s ILE 63 Ca 0.24 -0.51 0.04 0.00 -1.41 0.00 0.00 60.65 59.01 1q9p s ILE 63 Cb -0.08 -2.48 -0.02 0.00 0.13 0.00 0.00 42.46 40.01 1q9p s ILE 63 CO 0.13 0.56 -0.18 -0.63 -1.91 0.00 0.00 174.94 172.91 1q9p s ILE 64 N -0.27 2.66 -0.24 2.00 1.01 0.24 -4.66 121.20 121.94 1q9p s ILE 64 Ca 0.03 -0.85 -0.08 0.00 0.00 0.00 0.00 60.65 59.76 1q9p s ILE 64 Cb -0.13 -2.03 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1q9p s ILE 64 CO 0.03 0.57 0.09 -0.70 0.00 0.00 0.00 174.94 174.92 1q9p s GLU 65 N -0.28 3.77 -0.07 2.79 2.12 -1.01 -1.06 118.70 124.96 1q9p s GLU 65 Ca 0.01 -0.42 0.02 0.00 0.36 0.00 0.00 54.97 54.93 1q9p s GLU 65 Cb -0.13 -3.35 0.02 0.00 0.26 0.00 0.00 34.13 30.93 1q9p s GLU 65 CO 0.03 -0.08 -0.11 0.42 -0.54 0.00 0.00 175.26 174.98 1q9p s ILE 66 N 1.34 1.06 -1.61 -3.70 1.01 0.73 -2.62 121.20 117.42 1q9p s ILE 66 Ca 0.05 -0.41 -0.11 0.00 0.00 0.00 0.00 60.65 60.18 1q9p s ILE 66 Cb -0.15 -1.00 0.10 0.00 0.01 0.00 0.00 42.46 41.43 1q9p s ILE 66 CO 0.04 0.35 0.60 0.00 0.00 0.00 0.00 174.94 175.93 1q9p n ALA 67 N 4.07 -1.55 -1.21 9.38 0.00 -1.26 0.11 120.51 130.04 1q9p n ALA 67 Ca -0.21 -0.13 -0.07 0.00 0.00 0.00 0.00 53.44 53.03 1q9p n ALA 67 Cb 0.51 -2.62 -0.03 0.00 0.00 0.00 0.00 19.45 17.32 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 -1.67 0.90 3.39 0.00 0.00 -1.26 -5.00 105.19 101.55 1q9p n GLY 68 Ca -0.08 -0.39 -0.32 0.00 0.00 0.00 0.00 46.02 45.23 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 -2.12 2.62 0.28 1.61 4.02 0.31 -5.12 115.29 116.88 1q9p s HIS 69 Ca 0.00 -0.41 -0.18 0.00 1.02 0.00 0.00 55.06 55.49 1q9p s HIS 69 Cb 0.00 -1.65 -0.09 0.00 -1.02 0.00 0.00 32.58 29.82 1q9p s HIS 69 CO 0.00 -0.01 0.74 0.15 1.02 0.00 0.00 174.74 176.64 1q9p s LYS 70 N -0.37 4.15 -0.20 1.40 1.02 -1.26 -0.19 119.74 124.28 1q9p s LYS 70 Ca 0.03 0.80 -0.15 0.00 0.02 0.00 0.00 55.97 56.67 1q9p s LYS 70 Cb -0.12 -2.66 0.06 0.00 -0.52 0.00 0.00 37.83 34.59 1q9p s LYS 70 CO 0.02 0.27 0.51 0.00 -0.92 0.00 0.00 175.35 175.23 1q9p s ALA 71 N -1.75 -1.29 -0.09 5.17 0.00 -0.23 -4.94 121.76 118.63 1q9p s ALA 71 Ca 0.49 1.61 0.04 0.00 0.00 0.00 0.00 51.96 54.10 1q9p s ALA 71 Cb -0.14 -0.95 0.00 0.00 0.00 0.00 0.00 23.12 22.03 1q9p s ALA 71 CO 0.19 -0.27 -0.22 0.42 0.00 0.00 0.00 175.76 175.88 1q9p s ILE 72 N 0.81 1.92 -0.04 0.00 1.01 -1.26 0.81 121.20 124.45 1q9p s ILE 72 Ca -0.04 -0.94 -0.29 0.00 0.00 0.00 0.00 60.65 59.38 1q9p s ILE 72 Cb -0.05 -1.66 0.10 0.00 0.01 0.00 0.00 42.46 40.85 1q9p s ILE 72 CO -0.06 0.53 1.31 -0.83 0.00 0.00 0.00 174.94 175.88 1q9p s GLY 73 N 0.35 -0.15 0.19 6.18 0.00 -1.09 -5.03 107.32 107.78 1q9p s GLY 73 Ca -0.17 0.07 -0.30 0.00 0.00 0.00 0.00 44.72 44.32 1q9p s GLY 73 CO 0.08 5.94 1.17 -1.59 0.00 0.00 0.00 173.10 178.70 1q9p s THR 74 N -2.02 3.60 -0.35 0.90 2.01 -1.26 -3.86 115.64 114.66 1q9p s THR 74 Ca 0.30 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.69 1q9p s THR 74 Cb -0.00 -3.88 0.11 0.00 0.01 0.00 0.00 72.50 68.74 1q9p s THR 74 CO -0.01 0.23 0.13 -0.69 -0.69 0.00 0.00 174.62 173.60 1q9p s VAL 75 N -0.20 1.22 0.28 3.82 1.01 -0.05 -4.92 120.40 121.57 1q9p s VAL 75 Ca 0.51 -1.88 -0.29 0.00 0.00 0.00 0.00 61.98 60.32 1q9p s VAL 75 Cb -0.32 -1.90 -0.10 0.00 0.00 0.00 0.00 36.38 34.06 1q9p s VAL 75 CO 0.37 -0.73 1.42 -0.76 0.00 0.00 0.00 175.10 175.39 1q9p s LEU 76 N 1.14 4.39 -0.13 3.92 1.43 -1.20 -2.71 118.68 125.53 1q9p s LEU 76 Ca 0.12 2.72 0.02 0.00 -1.03 0.00 0.00 54.13 55.96 1q9p s LEU 76 Cb -0.20 -3.63 -0.00 0.00 0.03 0.00 0.00 46.19 42.39 1q9p s LEU 76 CO -0.15 -0.68 -0.19 -0.69 0.23 0.00 0.00 176.35 174.87 1q9p s VAL 77 N -0.40 2.46 0.28 -1.59 1.01 0.14 -1.85 120.40 120.45 1q9p s VAL 77 Ca 0.56 -0.86 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1q9p s VAL 77 Cb -0.42 -2.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.93 1q9p s VAL 77 CO 0.48 0.54 0.20 -0.83 0.00 0.00 0.00 175.10 175.48 1q9p s GLY 78 N 0.51 1.95 0.00 4.51 0.00 0.58 -2.05 107.32 112.83 1q9p s GLY 78 Ca -0.12 -1.87 0.00 0.00 0.00 0.00 0.00 44.72 42.73 1q9p s GLY 78 CO 0.05 -1.47 0.62 -1.55 0.00 0.00 0.00 173.10 170.75 1q9p n PRO 79 N -0.48 0.99 -1.72 2.90 -0.04 -1.26 0.76 135.00 136.15 1q9p n PRO 79 Ca 0.04 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.12 1q9p n PRO 79 Cb 0.64 -1.37 0.05 0.00 -0.04 0.00 0.00 33.50 32.79 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 -0.13 4.09 -0.31 0.52 5.66 -1.26 -4.67 114.28 118.18 1q9p n THR 80 Ca 0.00 -0.50 -0.08 0.00 -3.05 0.00 0.00 64.05 60.42 1q9p n THR 80 Cb 0.18 -1.53 -0.07 0.00 -1.55 0.00 0.00 70.33 67.36 1q9p n THR 80 CO 0.00 0.00 0.00 -2.65 -3.05 0.00 0.00 175.07 169.37 1q9p n PRO 81 N -1.22 -0.32 0.00 1.09 -0.02 -1.26 -3.95 135.00 129.32 1q9p n PRO 81 Ca 0.12 1.36 0.00 0.00 -2.02 0.00 0.00 63.50 62.97 1q9p n PRO 81 Cb 0.46 -2.01 0.00 0.00 -0.02 0.00 0.00 33.50 31.93 1q9p n PRO 81 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1q9p n VAL 82 N -4.66 0.00 -4.82 -1.45 0.31 -1.26 -4.76 118.33 101.70 1q9p n VAL 82 Ca 0.01 0.00 -0.33 0.00 -0.01 0.00 0.00 64.34 64.02 1q9p n VAL 82 Cb 0.19 0.00 -0.13 0.00 -0.91 0.00 0.00 33.84 32.99 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 4.08 -0.04 4.52 0.02 -1.26 -1.56 114.94 121.70 1q9p s ASN 83 Ca 0.00 -0.24 0.04 0.00 -1.02 0.00 0.00 52.86 51.64 1q9p s ASN 83 Cb 0.00 -1.20 -0.00 0.00 0.02 0.00 0.00 41.25 40.06 1q9p s ASN 83 CO 0.00 0.27 -0.16 -0.51 0.02 0.00 0.00 177.10 176.72 1q9p s ILE 84 N -0.27 1.35 -0.14 0.60 2.07 -0.56 -2.50 121.20 121.76 1q9p s ILE 84 Ca 0.02 -0.67 -0.06 0.00 -1.41 0.00 0.00 60.65 58.52 1q9p s ILE 84 Cb -0.13 -1.17 -0.04 0.00 0.13 0.00 0.00 42.46 41.25 1q9p s ILE 84 CO 0.03 0.39 0.08 -0.63 -1.91 0.00 0.00 174.94 172.90 1q9p s ILE 85 N 0.07 4.96 0.49 2.00 1.09 -0.96 -2.26 121.20 126.59 1q9p s ILE 85 Ca -0.04 0.01 0.06 0.00 -1.10 0.00 0.00 60.65 59.59 1q9p s ILE 85 Cb -0.11 -3.18 0.06 0.00 -1.06 0.00 0.00 42.46 38.17 1q9p s ILE 85 CO 0.02 0.54 0.51 0.61 -0.10 0.00 0.00 174.94 176.52 1q9p n GLY 86 N 2.75 2.40 0.34 6.18 0.00 -1.04 -1.66 105.19 114.15 1q9p n GLY 86 Ca -0.18 -2.25 0.17 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.62 1.61 3.08 -0.38 -2.41 114.38 115.66 1q9p h ARG 87 Ca -0.27 0.00 0.10 0.00 0.07 0.00 0.00 59.98 59.88 1q9p h ARG 87 Cb 1.10 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 31.07 1q9p h ARG 87 CO 0.41 0.00 0.21 -0.97 -1.07 0.00 0.00 179.97 178.55 1q9p h ASN 88 N 0.00 0.19 0.16 7.04 -0.73 -1.77 -0.24 115.58 120.23 1q9p h ASN 88 Ca 0.07 0.09 -0.36 0.00 1.87 0.00 0.00 56.30 57.97 1q9p h ASN 88 Cb 0.46 0.08 -0.00 0.00 0.27 0.00 0.00 38.32 39.12 1q9p h ASN 88 CO -0.00 0.11 -1.87 -0.07 -0.37 0.00 0.00 177.43 175.23 1q9p h LEU 89 N 0.38 0.53 -0.70 0.34 4.07 -1.78 -3.10 115.31 115.05 1q9p h LEU 89 Ca 0.32 -0.95 0.10 0.00 0.08 0.00 0.00 57.88 57.42 1q9p h LEU 89 Cb 0.42 -0.17 -0.07 0.00 1.08 0.00 0.00 40.66 41.91 1q9p h LEU 89 CO -0.33 1.83 0.34 0.25 -1.08 0.00 0.00 178.44 179.45 1q9p h LEU 90 N 0.09 0.44 -0.21 1.67 5.85 -1.30 -0.53 115.31 121.31 1q9p h LEU 90 Ca -0.38 0.06 -0.09 0.00 0.84 0.00 0.00 57.88 58.31 1q9p h LEU 90 Cb 2.07 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 43.08 1q9p h LEU 90 CO 0.14 0.25 -0.41 0.71 -0.34 0.00 0.00 178.44 178.78 1q9p h THR 91 N 0.58 0.75 -0.67 1.05 1.35 -1.20 -3.21 112.91 111.55 1q9p h THR 91 Ca 0.35 -1.92 0.04 0.00 -0.55 0.00 0.00 66.41 64.33 1q9p h THR 91 Cb 0.38 2.27 -0.04 0.00 -1.73 0.00 0.00 68.15 69.03 1q9p h THR 91 CO -0.28 0.40 0.44 -0.61 -0.25 0.00 0.00 175.52 175.23 1q9p h GLN 92 N 0.00 0.75 -0.07 4.72 4.15 -1.02 -0.01 115.11 123.64 1q9p h GLN 92 Ca -0.00 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.31 1q9p h GLN 92 Cb 1.23 -0.17 -0.01 0.00 0.21 0.00 0.00 27.48 28.74 1q9p h GLN 92 CO 0.05 0.50 -0.25 0.82 -1.93 0.00 0.00 178.83 178.02 1q9p h ILE 93 N 0.77 1.21 0.00 2.39 2.04 -1.48 -3.49 117.51 118.95 1q9p h ILE 93 Ca 0.28 -0.99 0.00 0.00 1.00 0.00 0.00 64.86 65.14 1q9p h ILE 93 Cb 0.12 1.44 0.00 0.00 -0.74 0.00 0.00 36.82 37.65 1q9p h ILE 93 CO -0.08 0.29 0.00 0.61 0.00 0.00 0.00 178.15 178.97 1q9p n GLY 94 N -0.69 -1.90 0.82 5.37 0.00 -0.02 -5.17 105.19 103.60 1q9p n GLY 94 Ca -0.02 -1.54 0.10 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