#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 0.90 -5.84 0.54 4.20 -2.13 -3.40 115.11 109.38 1q9p h GLN 2 Ca 0.00 -0.05 -0.68 0.00 0.06 0.00 0.00 58.65 57.97 1q9p h GLN 2 Cb 0.00 -0.20 -0.30 0.00 0.30 0.00 0.00 27.48 27.27 1q9p h GLN 2 CO 0.00 0.60 -0.86 0.42 -0.67 0.00 0.00 178.83 178.32 1q9p s ILE 3 N -5.80 2.25 0.20 2.54 1.01 -1.26 -5.11 121.20 115.04 1q9p s ILE 3 Ca -0.11 -0.98 -0.30 0.00 0.00 0.00 0.00 60.65 59.26 1q9p s ILE 3 Cb 0.19 -1.85 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 1q9p s ILE 3 CO 0.78 0.57 1.06 -0.89 0.00 0.00 0.00 174.94 176.46 1q9p s THR 4 N -0.06 3.87 -0.08 2.92 2.01 -1.26 -5.03 115.64 118.00 1q9p s THR 4 Ca -0.06 1.70 -0.07 0.00 0.31 0.00 0.00 61.69 63.57 1q9p s THR 4 Cb -0.14 -4.08 -0.04 0.00 0.01 0.00 0.00 72.50 68.24 1q9p s THR 4 CO 0.05 0.33 0.18 -1.48 -0.69 0.00 0.00 174.62 173.00 1q9p s LEU 5 N -0.68 4.39 -0.03 4.42 2.34 -1.26 -5.09 118.68 122.78 1q9p s LEU 5 Ca 0.47 0.49 -0.03 0.00 0.06 0.00 0.00 54.13 55.12 1q9p s LEU 5 Cb -0.29 -2.25 -0.04 0.00 -0.56 0.00 0.00 46.19 43.05 1q9p s LEU 5 CO 0.35 0.36 0.14 0.26 -1.06 0.00 0.00 176.35 176.41 1q9p s TRP 6 N -1.11 3.47 0.05 3.48 0.52 -1.26 -5.04 118.94 119.06 1q9p s TRP 6 Ca 0.19 0.34 -0.27 0.00 0.02 0.00 0.00 56.10 56.37 1q9p s TRP 6 Cb -0.13 -1.82 -0.14 0.00 -1.15 0.00 0.00 33.47 30.24 1q9p s TRP 6 CO 0.08 0.63 1.42 0.87 0.02 0.00 0.00 176.95 179.97 1q9p h LYS 7 N 4.13 -0.84 -6.39 4.98 1.57 -2.07 -3.43 116.57 114.52 1q9p h LYS 7 Ca -0.50 0.06 -0.54 0.00 -1.87 0.00 0.00 60.65 57.79 1q9p h LYS 7 Cb 1.19 0.19 -0.03 0.00 0.08 0.00 0.00 32.23 33.66 1q9p h LYS 7 CO 0.65 -0.56 -0.15 -0.98 -0.57 0.00 0.00 179.45 177.84 1q9p s ARG 8 N -5.16 3.77 0.51 3.15 1.70 -1.26 -5.07 118.95 116.60 1q9p s ARG 8 Ca -0.14 0.21 -0.21 0.00 -0.47 0.00 0.00 55.73 55.12 1q9p s ARG 8 Cb 0.02 -2.68 -0.06 0.00 -0.57 0.00 0.00 34.95 31.66 1q9p s ARG 8 CO 0.45 0.34 1.16 -1.25 -1.08 0.00 0.00 175.30 174.92 1q9p s PRO 9 N -2.79 3.47 0.20 3.89 0.04 -1.26 -5.02 135.00 133.52 1q9p s PRO 9 Ca 0.46 1.73 -0.13 0.00 0.04 0.00 0.00 61.00 63.10 1q9p s PRO 9 Cb -0.11 -2.17 -0.07 0.00 0.04 0.00 0.00 34.50 32.18 1q9p s PRO 9 CO 0.22 -0.78 0.58 -0.51 0.04 0.00 0.00 177.00 176.54 1q9p s LEU 10 N -3.50 4.25 0.03 -3.56 1.43 -1.26 -5.09 118.68 110.98 1q9p s LEU 10 Ca 0.69 1.07 0.05 0.00 -1.03 0.00 0.00 54.13 54.91 1q9p s LEU 10 Cb -0.27 -3.51 -0.02 0.00 0.03 0.00 0.00 46.19 42.41 1q9p s LEU 10 CO 0.32 0.01 -0.16 0.54 0.23 0.00 0.00 176.35 177.28 1q9p s VAL 11 N -1.64 1.29 0.17 -1.59 0.11 -1.26 -5.15 120.40 112.32 1q9p s VAL 11 Ca 0.43 -0.96 0.06 0.00 -2.93 0.00 0.00 61.98 58.58 1q9p s VAL 11 Cb -0.13 -1.13 -0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1q9p s VAL 11 CO 0.20 0.15 -0.12 0.42 -3.33 0.00 0.00 175.10 172.41 1q9p s THR 12 N -0.71 1.45 0.20 5.04 -4.23 -1.26 -4.37 115.64 111.76 1q9p s THR 12 Ca 0.04 -2.13 0.11 0.00 -1.18 0.00 0.00 61.69 58.53 1q9p s THR 12 Cb -0.08 -1.94 -0.04 0.00 1.34 0.00 0.00 72.50 71.78 1q9p s THR 12 CO 0.01 -0.67 -0.23 0.27 -0.54 0.00 0.00 174.62 173.47 1q9p s ILE 13 N -3.13 2.30 -0.16 2.99 -4.36 -0.79 -4.54 121.20 113.51 1q9p s ILE 13 Ca 0.19 -2.08 0.00 0.00 -0.26 0.00 0.00 60.65 58.51 1q9p s ILE 13 Cb 0.01 -2.11 0.03 0.00 1.25 0.00 0.00 42.46 41.63 1q9p s ILE 13 CO 0.04 -0.19 -0.11 -0.54 0.24 0.00 0.00 174.94 174.38 1q9p s LYS 14 N -2.83 1.97 -0.11 0.37 1.02 -1.03 -1.99 119.74 117.14 1q9p s LYS 14 Ca 0.22 -0.58 -0.01 0.00 0.02 0.00 0.00 55.97 55.62 1q9p s LYS 14 Cb -0.07 -2.09 0.03 0.00 -0.52 0.00 0.00 37.83 35.17 1q9p s LYS 14 CO 0.10 -0.32 -0.06 0.42 -0.92 0.00 0.00 175.35 174.57 1q9p s ILE 15 N 1.52 0.91 0.00 2.17 1.01 -1.00 -2.47 121.20 123.34 1q9p s ILE 15 Ca 0.03 -0.22 0.00 0.00 0.00 0.00 0.00 60.65 60.46 1q9p s ILE 15 Cb -0.14 -0.95 0.00 0.00 0.01 0.00 0.00 42.46 41.38 1q9p s ILE 15 CO -0.09 0.35 0.00 0.61 0.00 0.00 0.00 174.94 175.81 1q9p n GLY 16 N 4.97 0.48 0.58 6.18 0.00 -1.26 -2.41 105.19 113.72 1q9p n GLY 16 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.05 0.82 3.81 -0.02 0.00 -1.26 -5.07 105.19 101.42 1q9p n GLY 17 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 2.98 -0.21 1.61 -0.21 -1.01 -5.10 119.66 116.99 1q9p s GLN 18 Ca 0.00 -0.75 -0.12 0.00 0.02 0.00 0.00 55.36 54.50 1q9p s GLN 18 Cb 0.00 -2.73 -0.05 0.00 1.00 0.00 0.00 33.01 31.23 1q9p s GLN 18 CO 0.00 0.52 0.24 -0.51 -2.12 0.00 0.00 175.29 173.43 1q9p s LEU 19 N -2.83 4.17 0.09 2.90 2.01 -1.26 -2.37 118.68 121.39 1q9p s LEU 19 Ca 0.31 0.32 0.03 0.00 0.01 0.00 0.00 54.13 54.80 1q9p s LEU 19 Cb -0.11 -2.26 -0.04 0.00 0.01 0.00 0.00 46.19 43.79 1q9p s LEU 19 CO 0.24 0.06 -0.09 -0.54 1.01 0.00 0.00 176.35 177.02 1q9p s LYS 20 N 0.86 0.81 -0.08 1.70 1.02 -0.84 -5.03 119.74 118.18 1q9p s LYS 20 Ca 0.12 -1.14 0.01 0.00 0.02 0.00 0.00 55.97 54.99 1q9p s LYS 20 Cb -0.13 -0.46 -0.03 0.00 -0.52 0.00 0.00 37.83 36.69 1q9p s LYS 20 CO 0.04 0.06 -0.11 -2.00 -0.92 0.00 0.00 175.35 172.43 1q9p s GLU 21 N -2.81 2.84 0.01 1.68 2.12 -1.26 -1.88 118.70 119.40 1q9p s GLU 21 Ca 0.05 -0.63 -0.08 0.00 0.36 0.00 0.00 54.97 54.67 1q9p s GLU 21 Cb -0.02 -2.54 0.00 0.00 0.26 0.00 0.00 34.13 31.83 1q9p s GLU 21 CO -0.01 0.54 0.15 0.00 -0.54 0.00 0.00 175.26 175.40 1q9p s ALA 22 N -0.48 -0.32 -0.08 6.30 0.00 -1.26 -4.51 121.76 121.40 1q9p s ALA 22 Ca 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 51.96 51.84 1q9p s ALA 22 Cb -0.12 0.14 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1q9p s ALA 22 CO 0.02 -0.23 0.01 -0.51 0.00 0.00 0.00 175.76 175.04 1q9p s LEU 23 N -1.52 3.59 -0.00 0.00 1.43 -0.99 -4.86 118.68 116.34 1q9p s LEU 23 Ca -0.13 0.14 -0.15 0.00 -1.03 0.00 0.00 54.13 52.95 1q9p s LEU 23 Cb -0.06 -1.85 -0.06 0.00 0.03 0.00 0.00 46.19 44.25 1q9p s LEU 23 CO 0.01 0.37 0.42 -0.76 0.23 0.00 0.00 176.35 176.62 1q9p s LEU 24 N -0.97 4.47 0.00 1.79 1.02 -1.26 -2.48 118.68 121.25 1q9p s LEU 24 Ca 0.14 0.98 -0.09 0.00 0.02 0.00 0.00 54.13 55.18 1q9p s LEU 24 Cb -0.11 -2.62 0.04 0.00 0.02 0.00 0.00 46.19 43.52 1q9p s LEU 24 CO 0.03 0.30 0.49 -0.67 0.02 0.00 0.00 176.35 176.53 1q9p n ASP 25 N 1.95 -1.44 -0.31 2.29 2.03 -1.01 -4.93 116.55 115.14 1q9p n ASP 25 Ca -0.13 -2.05 0.29 0.00 0.52 0.00 0.00 54.79 53.42 1q9p n ASP 25 Cb 0.52 2.41 0.64 0.00 -0.72 0.00 0.00 41.12 43.97 1q9p n ASP 25 CO 0.00 0.00 0.00 0.74 -1.92 0.00 0.00 177.20 176.02 1q9p h THR 26 N 1.64 0.47 -3.62 5.18 2.02 -1.98 -3.39 112.91 113.24 1q9p h THR 26 Ca -0.21 -0.06 -0.13 0.00 0.77 0.00 0.00 66.41 66.78 1q9p h THR 26 Cb 0.80 0.28 -0.08 0.00 -1.74 0.00 0.00 68.15 67.41 1q9p h THR 26 CO 0.27 0.03 -0.18 0.61 0.37 0.00 0.00 175.52 176.62 1q9p n GLY 27 N -1.63 -0.17 6.35 2.16 0.00 -1.26 -4.06 105.19 106.59 1q9p n GLY 27 Ca 0.25 0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.28 1q9p n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1q9p n ALA 28 N -1.42 0.00 0.39 4.61 0.00 -1.26 -1.73 120.51 121.10 1q9p n ALA 28 Ca 0.02 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.58 1q9p n ALA 28 Cb 0.18 0.00 0.19 0.00 0.00 0.00 0.00 19.45 19.82 1q9p n ALA 28 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1q9p n ASP 29 N -1.18 3.38 -4.18 0.00 8.00 -1.26 -3.16 116.55 118.15 1q9p n ASP 29 Ca 0.00 -1.99 -0.23 0.00 0.71 0.00 0.00 54.79 53.29 1q9p n ASP 29 Cb 0.00 -0.21 -0.09 0.00 -0.02 0.00 0.00 41.12 40.80 1q9p n ASP 29 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 1q9p s ASP 30 N -1.54 2.36 0.09 -2.24 1.01 -0.70 -3.95 116.67 111.70 1q9p s ASP 30 Ca 0.37 -1.57 0.04 0.00 0.71 0.00 0.00 52.55 52.10 1q9p s ASP 30 Cb 0.22 0.33 -0.03 0.00 1.01 0.00 0.00 42.92 44.44 1q9p s ASP 30 CO 0.31 -0.84 -0.11 0.28 0.21 0.00 0.00 175.17 175.02 1q9p s THR 31 N -3.34 0.95 0.01 -1.27 -1.32 -1.26 -3.80 115.64 105.61 1q9p s THR 31 Ca 0.30 -1.53 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1q9p s THR 31 Cb 0.05 -1.24 -0.01 0.00 -1.51 0.00 0.00 72.50 69.79 1q9p s THR 31 CO 0.15 -0.48 -0.02 0.54 -2.21 0.00 0.00 174.62 172.60 1q9p s VAL 32 N -2.11 0.15 0.03 5.08 0.11 -1.06 -3.89 120.40 118.71 1q9p s VAL 32 Ca 0.03 -0.38 0.07 0.00 -2.93 0.00 0.00 61.98 58.76 1q9p s VAL 32 Cb -0.05 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.58 1q9p s VAL 32 CO 0.01 -0.15 -0.17 -0.63 -3.33 0.00 0.00 175.10 170.82 1q9p s ILE 33 N -0.54 2.85 0.46 7.04 1.01 -0.93 -1.59 121.20 129.50 1q9p s ILE 33 Ca -0.05 -1.13 -0.21 0.00 0.00 0.00 0.00 60.65 59.26 1q9p s ILE 33 Cb -0.04 -2.19 -0.12 0.00 0.01 0.00 0.00 42.46 40.12 1q9p s ILE 33 CO -0.00 0.36 0.48 1.21 0.00 0.00 0.00 174.94 176.98 1q9p n GLU 34 N 1.61 0.50 -1.54 2.79 2.13 0.82 -2.28 120.64 124.67 1q9p n GLU 34 Ca -0.16 0.19 -0.40 0.00 0.66 0.00 0.00 57.16 57.44 1q9p n GLU 34 Cb 0.52 -1.50 0.02 0.00 0.27 0.00 0.00 31.44 30.75 1q9p n GLU 34 CO 0.00 0.00 0.00 -0.85 -0.41 0.00 0.00 177.13 175.87 1q9p n GLU 35 N 0.54 0.92 -3.03 5.31 0.28 -0.86 -4.02 120.64 119.79 1q9p n GLU 35 Ca 0.11 0.34 0.00 0.00 -0.16 0.00 0.00 57.16 57.45 1q9p n GLU 35 Cb 0.42 -1.84 0.00 0.00 1.43 0.00 0.00 31.44 31.45 1q9p n GLU 35 CO 0.00 0.00 0.00 -0.12 -0.16 0.00 0.00 177.13 176.85 1q9p n MET 36 N 0.10 -1.28 -0.39 3.44 0.00 -1.26 -4.94 117.12 112.79 1q9p n MET 36 Ca 0.11 1.22 0.00 0.00 0.00 0.00 0.00 57.70 59.03 1q9p n MET 36 Cb 0.41 -0.81 0.00 0.00 0.00 0.00 0.00 33.22 32.83 1q9p n MET 36 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 175.97 174.84 1q9p n SER 37 N 2.51 0.00 0.00 6.12 3.41 -1.26 -5.10 113.62 119.31 1q9p n SER 37 Ca 0.00 -1.51 0.00 0.00 -0.26 0.00 0.00 58.87 57.10 1q9p n SER 37 Cb 0.00 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.85 1q9p n SER 37 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1q9p n LEU 38 N 0.00 0.00 -4.78 1.04 -0.00 -1.26 -5.05 117.00 106.95 1q9p n LEU 38 Ca 0.00 0.00 -0.30 0.00 -0.00 0.00 0.00 56.01 55.71 1q9p n LEU 38 Cb 0.60 0.00 0.09 0.00 -0.00 0.00 0.00 43.42 44.11 1q9p n LEU 38 CO 0.00 0.00 0.70 -2.16 -0.00 0.00 0.00 177.39 175.93 1q9p s PRO 39 N -1.18 2.16 0.00 1.47 0.04 -1.26 -4.96 135.00 131.27 1q9p s PRO 39 Ca 0.00 0.86 0.00 0.00 0.04 0.00 0.00 61.00 61.90 1q9p s PRO 39 Cb 0.00 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.63 1q9p s PRO 39 CO 0.00 -1.62 0.00 0.41 0.04 0.00 0.00 177.00 175.83 1q9p n GLY 40 N -1.69 0.45 3.65 0.56 0.00 -1.26 -5.10 105.19 101.81 1q9p n GLY 40 Ca 0.08 -2.21 -0.24 0.00 0.00 0.00 0.00 46.02 43.64 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 -0.45 2.13 0.26 1.61 0.52 -1.26 -5.16 118.95 116.60 1q9p s ARG 41 Ca 0.00 -1.73 0.02 0.00 -0.52 0.00 0.00 55.73 53.49 1q9p s ARG 41 Cb 0.00 -1.96 -0.04 0.00 0.52 0.00 0.00 34.95 33.47 1q9p s ARG 41 CO 0.00 0.11 0.15 1.67 0.02 0.00 0.00 175.30 177.25 1q9p s TRP 42 N -2.51 1.44 -0.31 -0.53 -2.14 -1.26 -4.79 118.94 108.83 1q9p s TRP 42 Ca 0.36 -1.36 -0.08 0.00 2.66 0.00 0.00 56.10 57.68 1q9p s TRP 42 Cb 0.00 -0.74 0.01 0.00 -3.10 0.00 0.00 33.47 29.64 1q9p s TRP 42 CO 0.20 -0.56 0.11 0.15 -2.66 0.00 0.00 176.95 174.18 1q9p s LYS 43 N -3.96 3.05 -0.30 3.25 1.02 -0.03 -4.92 119.74 117.86 1q9p s LYS 43 Ca 0.38 -0.89 -0.38 0.00 0.02 0.00 0.00 55.97 55.10 1q9p s LYS 43 Cb 0.06 -3.44 -0.14 0.00 -0.52 0.00 0.00 37.83 33.79 1q9p s LYS 43 CO 0.16 -0.49 1.95 -2.30 -0.92 0.00 0.00 175.35 173.75 1q9p n PRO 44 N 4.89 1.17 -4.11 -1.68 -0.02 -1.26 -2.56 135.00 131.42 1q9p n PRO 44 Ca -0.14 0.39 -0.15 0.00 -2.02 0.00 0.00 63.50 61.58 1q9p n PRO 44 Cb 0.48 -2.26 -0.13 0.00 -0.02 0.00 0.00 33.50 31.56 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 4.77 0.44 0.08 -0.52 2.20 -0.83 -4.95 119.74 120.92 1q9p s LYS 45 Ca 1.03 -0.38 0.09 0.00 -0.36 0.00 0.00 55.97 56.36 1q9p s LYS 45 Cb -0.98 -0.34 -0.03 0.00 -1.51 0.00 0.00 37.83 34.97 1q9p s LYS 45 CO 0.58 0.08 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.77 1q9p s MET 46 N -0.63 1.46 0.09 4.03 -1.94 -1.26 -0.84 119.30 120.21 1q9p s MET 46 Ca -0.02 -1.16 0.05 0.00 -1.71 0.00 0.00 55.69 52.85 1q9p s MET 46 Cb -0.05 -1.74 -0.03 0.00 2.01 0.00 0.00 34.83 35.02 1q9p s MET 46 CO -0.00 0.43 -0.12 0.96 -0.01 0.00 0.00 175.02 176.28 1q9p s ILE 47 N -0.95 1.06 0.00 2.53 -4.36 -1.06 -4.94 121.20 113.49 1q9p s ILE 47 Ca 0.10 -1.49 0.00 0.00 -0.26 0.00 0.00 60.65 59.00 1q9p s ILE 47 Cb -0.10 -1.23 0.00 0.00 1.25 0.00 0.00 42.46 42.38 1q9p s ILE 47 CO 0.04 -0.39 0.00 0.61 0.24 0.00 0.00 174.94 175.43 1q9p n GLY 48 N 0.88 -2.16 0.00 6.27 0.00 -1.26 -2.12 105.19 106.80 1q9p n GLY 48 Ca -0.18 -1.52 0.00 0.00 0.00 0.00 0.00 46.02 44.32 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 -0.19 1.87 0.34 -0.02 0.00 -1.25 -4.77 105.19 101.16 1q9p n GLY 49 Ca 0.00 -0.15 0.02 0.00 0.00 0.00 0.00 46.02 45.90 1q9p n GLY 49 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1q9p h ILE 50 N 0.00 1.02 0.00 -0.61 2.04 -2.03 -3.41 117.51 114.52 1q9p h ILE 50 Ca 0.00 -0.35 0.00 0.00 1.00 0.00 0.00 64.86 65.51 1q9p h ILE 50 Cb 0.00 -0.08 0.00 0.00 -0.74 0.00 0.00 36.82 36.00 1q9p h ILE 50 CO 0.00 0.18 0.00 0.61 0.00 0.00 0.00 178.15 178.94 1q9p n GLY 51 N -1.34 0.12 3.04 5.37 0.00 -1.26 -5.08 105.19 106.03 1q9p n GLY 51 Ca 0.14 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.93 0.83 -0.13 -0.02 0.00 -1.26 -5.13 107.32 99.68 1q9p s GLY 52 Ca 0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 44.72 44.24 1q9p s GLY 52 CO 0.00 0.09 -0.05 -0.11 0.00 0.00 0.00 173.10 173.03 1q9p s PHE 53 N 0.65 2.99 0.02 1.90 -0.71 -1.26 -3.96 117.98 117.61 1q9p s PHE 53 Ca -0.15 -0.24 0.06 0.00 -1.04 0.00 0.00 56.93 55.56 1q9p s PHE 53 Cb -0.16 -1.88 -0.03 0.00 -1.21 0.00 0.00 43.02 39.73 1q9p s PHE 53 CO 0.04 0.05 -0.14 0.42 -1.34 0.00 0.00 175.22 174.25 1q9p s ILE 54 N 0.04 3.09 -0.64 -4.49 1.01 -0.90 -4.97 121.20 114.34 1q9p s ILE 54 Ca -0.00 -1.03 -0.26 0.00 0.00 0.00 0.00 60.65 59.36 1q9p s ILE 54 Cb -0.14 -2.31 0.04 0.00 0.01 0.00 0.00 42.46 40.06 1q9p s ILE 54 CO 0.03 0.37 1.12 -0.54 0.00 0.00 0.00 174.94 175.91 1q9p s LYS 55 N -1.40 3.29 -0.11 2.79 1.02 -1.26 -2.56 119.74 121.52 1q9p s LYS 55 Ca 0.15 -0.23 -0.05 0.00 0.02 0.00 0.00 55.97 55.86 1q9p s LYS 55 Cb -0.11 -4.11 -0.04 0.00 -0.52 0.00 0.00 37.83 33.05 1q9p s LYS 55 CO 0.06 -1.80 0.09 0.08 -0.92 0.00 0.00 175.35 172.86 1q9p s VAL 56 N 4.79 5.10 -0.19 3.17 1.01 -0.02 -4.86 120.40 129.40 1q9p s VAL 56 Ca 0.34 0.05 -0.12 0.00 0.00 0.00 0.00 61.98 62.24 1q9p s VAL 56 Cb -0.11 -3.20 -0.05 0.00 0.00 0.00 0.00 36.38 33.03 1q9p s VAL 56 CO 0.18 0.61 0.23 -0.13 0.00 0.00 0.00 175.10 175.99 1q9p s ARG 57 N -1.00 4.21 -0.29 2.72 0.52 -0.92 -1.97 118.95 122.22 1q9p s ARG 57 Ca 0.15 -0.04 -0.11 0.00 -0.52 0.00 0.00 55.73 55.20 1q9p s ARG 57 Cb -0.12 -3.45 -0.05 0.00 0.52 0.00 0.00 34.95 31.86 1q9p s ARG 57 CO 0.04 0.22 0.20 -1.14 0.02 0.00 0.00 175.30 174.64 1q9p s GLN 58 N 0.56 3.89 -0.24 3.54 0.74 -1.06 -0.09 119.66 127.01 1q9p s GLN 58 Ca 0.13 -0.35 -0.07 0.00 0.05 0.00 0.00 55.36 55.11 1q9p s GLN 58 Cb -0.12 -3.68 -0.03 0.00 1.10 0.00 0.00 33.01 30.28 1q9p s GLN 58 CO 0.02 -0.22 0.07 -0.47 -0.55 0.00 0.00 175.29 174.14 1q9p s TYR 59 N 1.76 3.10 0.31 1.67 6.14 -1.11 -0.85 117.35 128.38 1q9p s TYR 59 Ca 0.07 -0.34 0.10 0.00 0.64 0.00 0.00 57.07 57.53 1q9p s TYR 59 Cb -0.16 -2.21 -0.05 0.00 0.42 0.00 0.00 41.96 39.96 1q9p s TYR 59 CO 0.11 -0.28 -0.02 -0.51 0.64 0.00 0.00 175.55 175.50 1q9p s ASP 60 N 1.40 4.24 -1.21 4.32 1.01 -1.26 -1.08 116.67 124.09 1q9p s ASP 60 Ca 0.05 -0.87 -0.07 0.00 0.71 0.00 0.00 52.55 52.38 1q9p s ASP 60 Cb -0.15 -0.61 0.01 0.00 1.01 0.00 0.00 42.92 43.18 1q9p s ASP 60 CO 0.03 -0.12 0.91 0.00 0.21 0.00 0.00 175.17 176.21 1q9p n GLN 61 N -0.90 -6.29 -4.42 8.23 6.02 -1.26 -5.02 117.38 113.75 1q9p n GLN 61 Ca -0.05 0.73 -0.30 0.00 -0.01 0.00 0.00 57.00 57.37 1q9p n GLN 61 Cb 0.61 -5.41 -0.11 0.00 1.02 0.00 0.00 30.24 26.34 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 -3.23 3.12 -0.11 5.09 2.07 -1.25 -5.00 121.20 121.89 1q9p s ILE 62 Ca 0.45 -1.21 0.00 0.00 -1.41 0.00 0.00 60.65 58.48 1q9p s ILE 62 Cb -0.20 -2.39 -0.02 0.00 0.13 0.00 0.00 42.46 39.98 1q9p s ILE 62 CO 0.56 0.22 -0.11 -0.51 -1.91 0.00 0.00 174.94 173.20 1q9p s ILE 63 N -1.08 3.31 -0.02 2.00 2.07 -1.26 -2.50 121.20 123.72 1q9p s ILE 63 Ca 0.18 -0.59 0.07 0.00 -1.41 0.00 0.00 60.65 58.90 1q9p s ILE 63 Cb -0.11 -2.37 -0.02 0.00 0.13 0.00 0.00 42.46 40.09 1q9p s ILE 63 CO 0.09 0.55 -0.24 -0.63 -1.91 0.00 0.00 174.94 172.80 1q9p s ILE 64 N -0.09 1.86 -0.24 2.00 1.01 0.12 -4.75 121.20 121.11 1q9p s ILE 64 Ca -0.01 -1.00 -0.09 0.00 0.00 0.00 0.00 60.65 59.55 1q9p s ILE 64 Cb -0.14 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.75 1q9p s ILE 64 CO 0.03 0.53 0.12 -1.61 0.00 0.00 0.00 174.94 174.01 1q9p s GLU 65 N -0.54 3.86 -0.07 2.79 2.02 -1.03 -0.81 118.70 124.91 1q9p s GLU 65 Ca 0.09 -0.38 0.02 0.00 0.02 0.00 0.00 54.97 54.71 1q9p s GLU 65 Cb -0.09 -3.43 0.02 0.00 0.10 0.00 0.00 34.13 30.72 1q9p s GLU 65 CO -0.01 -0.07 -0.10 0.42 0.02 0.00 0.00 175.26 175.52 1q9p s ILE 66 N 1.36 1.01 -1.68 -1.63 1.01 0.25 -2.47 121.20 119.05 1q9p s ILE 66 Ca 0.06 -0.38 -0.15 0.00 0.00 0.00 0.00 60.65 60.19 1q9p s ILE 66 Cb -0.15 -0.96 0.13 0.00 0.01 0.00 0.00 42.46 41.50 1q9p s ILE 66 CO 0.05 0.34 0.58 0.00 0.00 0.00 0.00 174.94 175.91 1q9p n ALA 67 N 4.08 -1.46 -1.10 9.38 0.00 -1.26 0.19 120.51 130.33 1q9p n ALA 67 Ca -0.21 -0.15 -0.03 0.00 0.00 0.00 0.00 53.44 53.05 1q9p n ALA 67 Cb 0.51 -2.60 -0.01 0.00 0.00 0.00 0.00 19.45 17.35 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 -1.57 0.61 3.31 0.00 0.00 -1.26 -5.01 105.19 101.27 1q9p n GLY 68 Ca -0.03 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -1.93 2.49 0.28 1.61 5.65 0.49 -5.13 115.29 118.75 1q9p s HIS 69 Ca 0.00 -0.59 -0.11 0.00 0.25 0.00 0.00 55.06 54.61 1q9p s HIS 69 Cb 0.00 -1.60 -0.08 0.00 -1.18 0.00 0.00 32.58 29.72 1q9p s HIS 69 CO 0.00 -0.13 0.63 0.15 -0.65 0.00 0.00 174.74 174.74 1q9p s LYS 70 N -0.28 3.87 -0.15 2.88 1.02 -1.26 0.86 119.74 126.68 1q9p s LYS 70 Ca 0.00 0.42 -0.12 0.00 0.02 0.00 0.00 55.97 56.29 1q9p s LYS 70 Cb -0.13 -2.55 0.04 0.00 -0.52 0.00 0.00 37.83 34.67 1q9p s LYS 70 CO 0.03 0.23 0.39 0.00 -0.92 0.00 0.00 175.35 175.08 1q9p s ALA 71 N -1.92 -0.97 -0.09 5.17 0.00 0.01 -4.93 121.76 119.02 1q9p s ALA 71 Ca 0.50 1.19 0.02 0.00 0.00 0.00 0.00 51.96 53.67 1q9p s ALA 71 Cb -0.11 -0.70 0.01 0.00 0.00 0.00 0.00 23.12 22.32 1q9p s ALA 71 CO 0.21 -0.20 -0.14 0.42 0.00 0.00 0.00 175.76 176.04 1q9p s ILE 72 N 0.50 1.38 -0.25 0.00 1.01 -1.26 0.15 121.20 122.73 1q9p s ILE 72 Ca -0.02 -0.59 0.00 0.00 0.00 0.00 0.00 60.65 60.04 1q9p s ILE 72 Cb -0.04 -1.26 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1q9p s ILE 72 CO -0.03 0.42 0.00 0.61 0.00 0.00 0.00 174.94 175.94 1q9p n GLY 73 N 4.09 -1.18 3.76 6.18 0.00 -1.04 -5.00 105.19 111.99 1q9p n GLY 73 Ca -0.20 -1.01 -0.39 0.00 0.00 0.00 0.00 46.02 44.42 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 -2.09 3.82 -0.20 2.61 2.01 -1.26 -3.94 115.64 116.58 1q9p s THR 74 Ca 0.00 1.75 -0.05 0.00 0.31 0.00 0.00 61.69 63.70 1q9p s THR 74 Cb 0.00 -4.08 0.07 0.00 0.01 0.00 0.00 72.50 68.50 1q9p s THR 74 CO 0.00 0.36 0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1q9p s VAL 75 N -1.27 -0.03 0.45 3.82 1.01 -0.24 -5.00 120.40 119.15 1q9p s VAL 75 Ca 0.45 -0.35 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 1q9p s VAL 75 Cb -0.27 -0.71 -0.08 0.00 0.00 0.00 0.00 36.38 35.32 1q9p s VAL 75 CO 0.34 -0.39 1.13 -0.76 0.00 0.00 0.00 175.10 175.42 1q9p s LEU 76 N 2.10 4.02 -0.13 3.92 1.43 -1.25 -2.73 118.68 126.04 1q9p s LEU 76 Ca 0.04 2.22 0.02 0.00 -1.03 0.00 0.00 54.13 55.37 1q9p s LEU 76 Cb -0.16 -4.26 -0.00 0.00 0.03 0.00 0.00 46.19 41.79 1q9p s LEU 76 CO -0.16 -0.83 -0.18 -0.69 0.23 0.00 0.00 176.35 174.73 1q9p s VAL 77 N -1.61 2.54 0.39 -1.59 1.01 0.87 -2.19 120.40 119.82 1q9p s VAL 77 Ca 0.63 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.82 1q9p s VAL 77 Cb -0.26 -2.03 -0.07 0.00 0.00 0.00 0.00 36.38 34.02 1q9p s VAL 77 CO 0.32 0.54 0.03 -0.83 0.00 0.00 0.00 175.10 175.16 1q9p s GLY 78 N 0.49 2.40 0.65 4.51 0.00 -0.97 -2.15 107.32 112.25 1q9p s GLY 78 Ca -0.12 -2.00 0.41 0.00 0.00 0.00 0.00 44.72 43.01 1q9p s GLY 78 CO 0.05 -1.99 2.34 -0.56 0.00 0.00 0.00 173.10 172.94 1q9p h PRO 79 N 1.86 0.00 -5.92 2.90 0.13 -1.89 -2.28 132.00 126.81 1q9p h PRO 79 Ca -0.42 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.04 1q9p h PRO 79 Cb 1.25 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.49 1q9p h PRO 79 CO 0.75 0.00 -0.52 -2.37 -0.23 0.00 0.00 178.00 175.63 1q9p n THR 80 N -3.23 1.96 0.57 1.56 5.66 -1.26 -4.55 114.28 114.99 1q9p n THR 80 Ca -0.03 -0.49 0.12 0.00 -3.05 0.00 0.00 64.05 60.60 1q9p n THR 80 Cb 0.09 0.00 0.45 0.00 -1.55 0.00 0.00 70.33 69.32 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 0.99 0.18 0.00 1.09 -0.04 -1.26 -3.31 135.00 132.65 1q9p n PRO 81 Ca 0.18 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.91 1q9p n PRO 81 Cb 0.25 -1.77 0.00 0.00 -0.04 0.00 0.00 33.50 31.94 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 -2.10 0.00 -4.62 0.52 0.31 -1.26 -4.82 118.33 106.37 1q9p n VAL 82 Ca 0.04 0.00 -0.24 0.00 -0.01 0.00 0.00 64.34 64.13 1q9p n VAL 82 Cb 0.32 0.00 -0.16 0.00 -0.91 0.00 0.00 33.84 33.09 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 1.79 -0.01 4.52 0.01 -1.26 -0.13 114.94 120.86 1q9p s ASN 83 Ca 0.00 -0.30 0.06 0.00 -0.71 0.00 0.00 52.86 51.92 1q9p s ASN 83 Cb 0.00 -0.73 -0.02 0.00 0.41 0.00 0.00 41.25 40.91 1q9p s ASN 83 CO 0.00 0.06 -0.21 -0.51 -1.51 0.00 0.00 177.10 174.93 1q9p s ILE 84 N 0.49 1.64 0.03 0.60 2.07 -0.62 -2.34 121.20 123.06 1q9p s ILE 84 Ca -0.11 -0.90 0.03 0.00 -1.41 0.00 0.00 60.65 58.26 1q9p s ILE 84 Cb -0.14 -1.37 -0.04 0.00 0.13 0.00 0.00 42.46 41.04 1q9p s ILE 84 CO 0.03 0.45 -0.03 -0.63 -1.91 0.00 0.00 174.94 172.85 1q9p s ILE 85 N -0.50 3.88 0.30 2.00 1.01 -1.03 -2.55 121.20 124.30 1q9p s ILE 85 Ca 0.08 -0.79 0.01 0.00 0.00 0.00 0.00 60.65 59.95 1q9p s ILE 85 Cb -0.08 -2.74 -0.00 0.00 0.01 0.00 0.00 42.46 39.64 1q9p s ILE 85 CO -0.01 0.32 0.04 0.61 0.00 0.00 0.00 174.94 175.90 1q9p n GLY 86 N 1.25 3.67 0.37 6.18 0.00 -1.25 -2.40 105.19 113.02 1q9p n GLY 86 Ca -0.14 -2.20 0.19 0.00 0.00 0.00 0.00 46.02 43.88 1q9p n GLY 86 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1q9p h ARG 87 N 0.00 0.00 -0.53 1.61 2.43 -1.69 -1.98 114.38 114.22 1q9p h ARG 87 Ca -0.25 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.01 1q9p h ARG 87 Cb 0.82 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.30 1q9p h ARG 87 CO 0.40 0.00 0.15 -0.97 -1.51 0.00 0.00 179.97 178.05 1q9p h ASN 88 N 0.00 0.11 0.27 -3.80 -1.24 -1.81 0.07 115.58 109.17 1q9p h ASN 88 Ca 0.15 0.08 -0.34 0.00 0.71 0.00 0.00 56.30 56.90 1q9p h ASN 88 Cb 0.94 0.08 0.04 0.00 0.73 0.00 0.00 38.32 40.11 1q9p h ASN 88 CO -0.00 0.08 -1.50 -0.07 -1.29 0.00 0.00 177.43 174.65 1q9p h LEU 89 N 0.31 0.84 -1.07 0.34 4.07 -1.72 -3.32 115.31 114.76 1q9p h LEU 89 Ca 0.26 -0.91 0.09 0.00 0.08 0.00 0.00 57.88 57.40 1q9p h LEU 89 Cb 0.32 -0.27 -0.07 0.00 1.08 0.00 0.00 40.66 41.72 1q9p h LEU 89 CO -0.30 1.72 0.62 -0.07 -1.08 0.00 0.00 178.44 179.33 1q9p h LEU 90 N 0.15 0.95 -0.54 1.67 3.38 -1.29 -1.83 115.31 117.79 1q9p h LEU 90 Ca -0.26 0.02 0.02 0.00 0.09 0.00 0.00 57.88 57.75 1q9p h LEU 90 Cb 2.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 42.71 1q9p h LEU 90 CO 0.27 0.57 0.33 0.74 0.09 0.00 0.00 178.44 180.45 1q9p h THR 91 N 1.06 1.07 -0.75 0.22 2.02 -1.08 0.98 112.91 116.43 1q9p h THR 91 Ca 0.44 -0.23 -0.04 0.00 0.77 0.00 0.00 66.41 67.35 1q9p h THR 91 Cb 0.30 0.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1q9p h THR 91 CO -0.19 0.12 0.31 -0.61 0.37 0.00 0.00 175.52 175.52 1q9p h GLN 92 N 0.67 1.11 0.00 6.66 4.15 -1.45 -2.08 115.11 124.16 1q9p h GLN 92 Ca 0.22 -0.19 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 1q9p h GLN 92 Cb 0.00 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 1q9p h GLN 92 CO -0.09 0.90 -0.44 0.82 -1.93 0.00 0.00 178.83 178.09 1q9p h ILE 93 N 1.09 1.20 0.00 2.39 2.04 -0.78 -3.46 117.51 119.98 1q9p h ILE 93 Ca 0.25 -1.58 0.00 0.00 1.00 0.00 0.00 64.86 64.53 1q9p h ILE 93 Cb 0.20 1.88 0.00 0.00 -0.74 0.00 0.00 36.82 38.16 1q9p h ILE 93 CO -0.02 0.43 0.00 0.61 0.00 0.00 0.00 178.15 179.17 1q9p n GLY 94 N -0.07 0.76 0.00 5.37 0.00 0.28 -5.10 105.19 106.43 1q9p n GLY 94 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 1q9p n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32