#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 2.52 0.09 0.54 -1.52 -1.26 -4.99 119.66 115.04 1q9p s GLN 2 Ca 0.00 -0.77 0.19 0.00 -1.95 0.00 0.00 55.36 52.83 1q9p s GLN 2 Cb 0.00 -2.50 0.78 0.00 -0.22 0.00 0.00 33.01 31.07 1q9p s GLN 2 CO 0.00 0.58 1.58 0.44 -0.25 0.00 0.00 175.29 177.64 1q9p n ILE 3 N 1.28 0.88 -1.07 1.08 -5.35 -1.26 -2.11 119.36 112.80 1q9p n ILE 3 Ca -0.14 0.21 -0.07 0.00 -0.27 0.00 0.00 62.75 62.48 1q9p n ILE 3 Cb 0.52 -1.01 0.29 0.00 -1.74 0.00 0.00 39.64 37.70 1q9p n ILE 3 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1q9p n THR 4 N -1.76 2.94 -0.27 7.28 -2.24 -1.26 -4.57 114.28 114.39 1q9p n THR 4 Ca 0.03 -1.71 0.17 0.00 -2.27 0.00 0.00 64.05 60.27 1q9p n THR 4 Cb 0.21 -0.36 0.46 0.00 -2.10 0.00 0.00 70.33 68.53 1q9p n THR 4 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 1q9p h LEU 5 N 2.49 0.52 -1.31 3.22 8.10 -1.85 0.16 115.31 126.64 1q9p h LEU 5 Ca 0.28 0.05 0.13 0.00 0.11 0.00 0.00 57.88 58.45 1q9p h LEU 5 Cb 2.34 -0.05 -0.06 0.00 -0.44 0.00 0.00 40.66 42.45 1q9p h LEU 5 CO 0.74 0.21 0.56 -0.50 -4.11 0.00 0.00 178.44 175.34 1q9p h TRP 6 N 0.52 0.80 -3.07 0.17 6.55 -1.87 -3.40 115.95 115.65 1q9p h TRP 6 Ca 0.48 0.02 -0.65 0.00 0.95 0.00 0.00 58.89 59.69 1q9p h TRP 6 Cb 1.04 -0.26 -0.09 0.00 -0.86 0.00 0.00 29.16 28.99 1q9p h TRP 6 CO -0.00 0.33 -0.57 0.15 -1.05 0.00 0.00 178.44 177.30 1q9p s LYS 7 N -5.67 3.10 -0.33 0.49 1.02 0.56 -5.08 119.74 113.82 1q9p s LYS 7 Ca -0.10 -0.48 -0.21 0.00 0.02 0.00 0.00 55.97 55.21 1q9p s LYS 7 Cb 0.21 -2.88 -0.00 0.00 -0.52 0.00 0.00 37.83 34.64 1q9p s LYS 7 CO 0.79 0.65 0.67 0.50 -0.92 0.00 0.00 175.35 177.03 1q9p s ARG 8 N -1.80 3.79 0.30 1.68 3.52 -1.26 -4.89 118.95 120.30 1q9p s ARG 8 Ca 0.24 0.22 -0.26 0.00 -0.13 0.00 0.00 55.73 55.79 1q9p s ARG 8 Cb -0.12 -3.77 -0.14 0.00 -1.56 0.00 0.00 34.95 29.35 1q9p s ARG 8 CO 0.15 -0.69 0.76 -2.30 -0.81 0.00 0.00 175.30 172.41 1q9p n PRO 9 N 6.05 0.80 -3.25 5.12 -0.02 -1.26 -4.93 135.00 137.51 1q9p n PRO 9 Ca -0.00 0.28 -0.39 0.00 -2.02 0.00 0.00 63.50 61.38 1q9p n PRO 9 Cb 0.49 -1.54 -0.06 0.00 -0.02 0.00 0.00 33.50 32.37 1q9p n PRO 9 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1q9p s LEU 10 N 1.43 4.41 -0.13 2.45 2.01 -1.26 -5.07 118.68 122.53 1q9p s LEU 10 Ca 0.61 1.11 -0.01 0.00 0.01 0.00 0.00 54.13 55.85 1q9p s LEU 10 Cb -0.73 -2.86 -0.02 0.00 0.01 0.00 0.00 46.19 42.59 1q9p s LEU 10 CO 0.58 0.12 -0.10 -0.69 1.01 0.00 0.00 176.35 177.27 1q9p s VAL 11 N -0.24 3.30 0.14 -1.59 1.01 -1.26 -5.11 120.40 116.64 1q9p s VAL 11 Ca 0.30 -0.58 0.10 0.00 0.00 0.00 0.00 61.98 61.79 1q9p s VAL 11 Cb -0.18 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.77 1q9p s VAL 11 CO 0.16 0.52 -0.23 0.42 0.00 0.00 0.00 175.10 175.97 1q9p s THR 12 N 0.23 2.05 0.21 3.92 -4.23 -1.26 -4.23 115.64 112.33 1q9p s THR 12 Ca -0.07 -1.77 0.05 0.00 -1.18 0.00 0.00 61.69 58.71 1q9p s THR 12 Cb -0.15 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.77 1q9p s THR 12 CO 0.05 -0.06 -0.06 0.27 -0.54 0.00 0.00 174.62 174.28 1q9p s ILE 13 N -1.36 1.25 -0.20 2.99 -4.36 -0.53 -4.27 121.20 114.71 1q9p s ILE 13 Ca 0.13 -2.08 0.01 0.00 -0.26 0.00 0.00 60.65 58.46 1q9p s ILE 13 Cb -0.09 -2.16 0.04 0.00 1.25 0.00 0.00 42.46 41.50 1q9p s ILE 13 CO 0.06 -0.49 -0.13 -0.54 0.24 0.00 0.00 174.94 174.08 1q9p s LYS 14 N -3.78 2.32 -0.03 0.37 1.02 -0.96 -1.81 119.74 116.86 1q9p s LYS 14 Ca 0.24 -0.93 0.01 0.00 0.02 0.00 0.00 55.97 55.30 1q9p s LYS 14 Cb 0.04 -2.54 0.03 0.00 -0.52 0.00 0.00 37.83 34.83 1q9p s LYS 14 CO 0.06 -0.40 -0.01 -1.50 -0.92 0.00 0.00 175.35 172.59 1q9p s ILE 15 N 1.31 0.22 0.00 2.17 -1.16 -0.83 -2.52 121.20 120.39 1q9p s ILE 15 Ca -0.01 0.06 0.00 0.00 -0.51 0.00 0.00 60.65 60.18 1q9p s ILE 15 Cb -0.16 -0.31 0.00 0.00 0.61 0.00 0.00 42.46 42.60 1q9p s ILE 15 CO -0.09 0.15 0.00 0.61 -2.81 0.00 0.00 174.94 172.81 1q9p n GLY 16 N 4.11 0.57 0.83 1.50 0.00 -1.26 -2.40 105.19 108.53 1q9p n GLY 16 Ca -0.27 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.04 0.78 3.45 -0.02 0.00 -1.26 -5.06 105.19 101.03 1q9p n GLY 17 Ca 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.76 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 -0.64 1.63 -0.15 1.61 -1.52 -1.01 -5.12 119.66 114.46 1q9p s GLN 18 Ca 0.00 -1.52 -0.21 0.00 -1.95 0.00 0.00 55.36 51.68 1q9p s GLN 18 Cb 0.00 -1.88 -0.03 0.00 -0.22 0.00 0.00 33.01 30.87 1q9p s GLN 18 CO 0.00 0.39 0.60 -0.51 -0.25 0.00 0.00 175.29 175.53 1q9p s LEU 19 N -2.82 4.22 0.08 2.90 1.02 -1.26 -1.97 118.68 120.84 1q9p s LEU 19 Ca 0.23 0.91 0.02 0.00 0.02 0.00 0.00 54.13 55.30 1q9p s LEU 19 Cb -0.08 -2.88 -0.04 0.00 0.02 0.00 0.00 46.19 43.22 1q9p s LEU 19 CO 0.11 -0.16 -0.07 -0.75 0.02 0.00 0.00 176.35 175.50 1q9p s LYS 20 N 1.30 0.71 0.05 1.70 2.47 -0.75 -5.01 119.74 120.22 1q9p s LYS 20 Ca 0.30 -1.11 0.06 0.00 -1.56 0.00 0.00 55.97 53.66 1q9p s LYS 20 Cb -0.16 -0.23 -0.03 0.00 -1.46 0.00 0.00 37.83 35.94 1q9p s LYS 20 CO 0.12 0.01 -0.14 -1.21 0.16 0.00 0.00 175.35 174.28 1q9p s GLU 21 N -2.96 2.16 0.02 4.03 2.02 -1.26 -1.46 118.70 121.25 1q9p s GLU 21 Ca 0.03 -0.95 -0.07 0.00 0.02 0.00 0.00 54.97 54.00 1q9p s GLU 21 Cb -0.01 -2.27 -0.00 0.00 0.10 0.00 0.00 34.13 31.95 1q9p s GLU 21 CO -0.03 0.54 0.13 0.00 0.02 0.00 0.00 175.26 175.92 1q9p s ALA 22 N -1.00 -0.21 0.01 5.21 0.00 -1.26 -4.04 121.76 120.47 1q9p s ALA 22 Ca 0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 51.96 51.77 1q9p s ALA 22 Cb -0.11 0.20 -0.04 0.00 0.00 0.00 0.00 23.12 23.18 1q9p s ALA 22 CO 0.07 -0.28 0.12 -0.51 0.00 0.00 0.00 175.76 175.16 1q9p s LEU 23 N -1.84 4.05 0.03 0.00 1.43 -0.44 -4.84 118.68 117.08 1q9p s LEU 23 Ca -0.09 0.19 -0.21 0.00 -1.03 0.00 0.00 54.13 52.99 1q9p s LEU 23 Cb -0.04 -2.47 -0.06 0.00 0.03 0.00 0.00 46.19 43.66 1q9p s LEU 23 CO -0.02 0.24 0.61 -0.76 0.23 0.00 0.00 176.35 176.65 1q9p s LEU 24 N -1.98 4.46 0.07 1.79 1.43 -1.26 -2.58 118.68 120.61 1q9p s LEU 24 Ca 0.26 1.24 -0.03 0.00 -1.03 0.00 0.00 54.13 54.57 1q9p s LEU 24 Cb -0.12 -2.96 -0.05 0.00 0.03 0.00 0.00 46.19 43.09 1q9p s LEU 24 CO 0.18 0.15 0.27 -0.62 0.23 0.00 0.00 176.35 176.56 1q9p s ASP 25 N -0.47 6.43 0.37 2.29 2.15 -0.67 -4.94 116.67 121.82 1q9p s ASP 25 Ca 0.31 0.44 0.12 0.00 0.43 0.00 0.00 52.55 53.86 1q9p s ASP 25 Cb -0.19 -2.03 0.70 0.00 -0.30 0.00 0.00 42.92 41.10 1q9p s ASP 25 CO 0.19 0.16 1.82 0.74 -0.17 0.00 0.00 175.17 177.90 1q9p h THR 26 N 2.32 1.27 0.00 1.71 2.02 -1.98 -3.43 112.91 114.82 1q9p h THR 26 Ca -0.47 -1.30 0.00 0.00 0.77 0.00 0.00 66.41 65.41 1q9p h THR 26 Cb 1.17 1.70 0.00 0.00 -1.74 0.00 0.00 68.15 69.28 1q9p h THR 26 CO 0.72 0.37 0.00 0.61 0.37 0.00 0.00 175.52 177.60 1q9p n GLY 27 N -0.44 0.07 2.68 2.16 0.00 -1.26 -4.88 105.19 103.52 1q9p n GLY 27 Ca -0.02 0.06 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 -2.39 -1.90 -0.35 4.61 0.00 -1.26 -0.65 120.51 118.57 1q9p n ALA 28 Ca 0.00 0.77 0.03 0.00 0.00 0.00 0.00 53.44 54.25 1q9p n ALA 28 Cb 0.00 -1.87 0.20 0.00 0.00 0.00 0.00 19.45 17.78 1q9p n ALA 28 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1q9p h ASP 29 N 4.54 1.00 -0.70 0.00 3.32 -1.98 -2.77 116.42 119.83 1q9p h ASP 29 Ca -0.17 0.01 -0.66 0.00 0.02 0.00 0.00 57.03 56.23 1q9p h ASP 29 Cb 0.38 -0.20 -0.13 0.00 0.22 0.00 0.00 39.33 39.60 1q9p h ASP 29 CO 0.00 0.63 -0.53 -1.81 -1.72 0.00 0.00 179.24 175.81 1q9p s ASP 30 N -5.92 4.09 -0.06 6.45 1.01 -1.26 -4.01 116.67 116.97 1q9p s ASP 30 Ca -0.12 -1.56 0.03 0.00 0.71 0.00 0.00 52.55 51.61 1q9p s ASP 30 Cb 0.20 0.28 -0.02 0.00 1.01 0.00 0.00 42.92 44.39 1q9p s ASP 30 CO 0.81 -0.76 -0.15 -0.89 0.21 0.00 0.00 175.17 174.39 1q9p s THR 31 N -2.83 2.99 -0.04 -1.27 2.01 -1.26 -4.01 115.64 111.23 1q9p s THR 31 Ca 0.14 -0.74 0.03 0.00 0.31 0.00 0.00 61.69 61.43 1q9p s THR 31 Cb 0.04 -2.18 0.01 0.00 0.01 0.00 0.00 72.50 70.37 1q9p s THR 31 CO 0.08 0.58 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.78 1q9p s VAL 32 N -0.55 1.03 0.14 3.82 1.01 -1.00 -3.29 120.40 121.55 1q9p s VAL 32 Ca 0.08 -0.46 0.07 0.00 0.00 0.00 0.00 61.98 61.67 1q9p s VAL 32 Cb -0.11 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.31 1q9p s VAL 32 CO 0.01 0.32 -0.17 0.27 0.00 0.00 0.00 175.10 175.54 1q9p s ILE 33 N 0.37 1.58 0.68 2.22 -4.36 -0.90 -1.96 121.20 118.83 1q9p s ILE 33 Ca -0.08 -1.79 -0.16 0.00 -0.26 0.00 0.00 60.65 58.37 1q9p s ILE 33 Cb -0.12 -1.67 0.01 0.00 1.25 0.00 0.00 42.46 41.93 1q9p s ILE 33 CO 0.02 -0.34 1.16 -0.70 0.24 0.00 0.00 174.94 175.32 1q9p s GLU 34 N -2.66 2.57 0.33 0.37 2.12 -0.63 -2.11 118.70 118.69 1q9p s GLU 34 Ca 0.12 1.59 -0.28 0.00 0.36 0.00 0.00 54.97 56.76 1q9p s GLU 34 Cb -0.06 -1.90 -0.09 0.00 0.26 0.00 0.00 34.13 32.34 1q9p s GLU 34 CO 0.05 -1.47 1.15 -2.00 -0.54 0.00 0.00 175.26 172.46 1q9p s GLU 35 N -3.91 4.38 0.26 4.30 -6.30 -1.24 -4.85 118.70 111.35 1q9p s GLU 35 Ca 0.71 1.86 -0.20 0.00 -2.50 0.00 0.00 54.97 54.85 1q9p s GLU 35 Cb -0.25 -2.96 0.02 0.00 0.00 0.00 0.00 34.13 30.94 1q9p s GLU 35 CO 0.41 -0.04 0.66 -1.64 0.02 0.00 0.00 175.26 174.67 1q9p s MET 36 N -1.85 1.70 -0.60 4.30 -1.94 -1.26 -5.08 119.30 114.58 1q9p s MET 36 Ca 0.50 -1.00 -0.29 0.00 -1.71 0.00 0.00 55.69 53.20 1q9p s MET 36 Cb -0.32 0.58 -0.11 0.00 2.01 0.00 0.00 34.83 36.99 1q9p s MET 36 CO 0.41 -0.76 2.46 0.43 -0.01 0.00 0.00 175.02 177.55 1q9p n SER 37 N -0.44 1.80 -4.65 3.03 7.64 -1.26 -4.89 113.62 114.85 1q9p n SER 37 Ca -0.05 -0.18 -0.23 0.00 1.01 0.00 0.00 58.87 59.42 1q9p n SER 37 Cb 0.60 -1.37 -0.07 0.00 -1.01 0.00 0.00 64.21 62.36 1q9p n SER 37 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1q9p s LEU 38 N 10.60 3.16 0.00 -3.43 1.02 -1.26 -5.06 118.68 123.71 1q9p s LEU 38 Ca 1.10 -0.71 0.00 0.00 0.02 0.00 0.00 54.13 54.54 1q9p s LEU 38 Cb -0.56 -1.66 0.00 0.00 0.02 0.00 0.00 46.19 43.99 1q9p s LEU 38 CO 0.35 -0.05 0.00 -2.65 0.02 0.00 0.00 176.35 174.02 1q9p n PRO 39 N -0.92 0.00 -2.63 1.29 -0.02 -1.26 -4.87 135.00 126.60 1q9p n PRO 39 Ca -0.06 0.00 -0.01 0.00 -2.02 0.00 0.00 63.50 61.41 1q9p n PRO 39 Cb 0.60 0.00 0.09 0.00 -0.02 0.00 0.00 33.50 34.16 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 1.84 2.71 -1.23 0.00 -1.26 -5.08 105.19 102.17 1q9p n GLY 40 Ca 0.00 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.24 1q9p n GLY 40 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1q9p s ARG 41 N -1.48 0.30 0.15 1.61 3.52 -1.26 -5.14 118.95 116.66 1q9p s ARG 41 Ca 0.17 0.08 -0.16 0.00 -0.13 0.00 0.00 55.73 55.70 1q9p s ARG 41 Cb 0.38 -1.14 0.03 0.00 -1.56 0.00 0.00 34.95 32.65 1q9p s ARG 41 CO -0.09 -0.42 0.42 1.67 -0.81 0.00 0.00 175.30 176.07 1q9p s TRP 42 N 2.05 -0.09 -0.01 5.12 1.48 -1.26 -4.61 118.94 121.61 1q9p s TRP 42 Ca 0.04 -0.24 -0.10 0.00 -1.06 0.00 0.00 56.10 54.73 1q9p s TRP 42 Cb -0.14 0.26 0.01 0.00 -1.16 0.00 0.00 33.47 32.45 1q9p s TRP 42 CO -0.06 -0.77 0.21 0.15 -4.06 0.00 0.00 176.95 172.42 1q9p s LYS 43 N -3.85 0.53 0.24 3.25 1.02 -1.12 -4.97 119.74 114.85 1q9p s LYS 43 Ca 0.07 -0.25 -0.30 0.00 0.02 0.00 0.00 55.97 55.51 1q9p s LYS 43 Cb 0.01 0.23 -0.09 0.00 -0.52 0.00 0.00 37.83 37.46 1q9p s LYS 43 CO -0.07 -0.13 1.25 -1.25 -0.92 0.00 0.00 175.35 174.22 1q9p s PRO 44 N -1.22 4.45 -0.13 -1.68 0.04 -1.26 -2.61 135.00 132.58 1q9p s PRO 44 Ca -0.13 2.01 -0.11 0.00 0.04 0.00 0.00 61.00 62.81 1q9p s PRO 44 Cb -0.06 -3.17 0.04 0.00 0.04 0.00 0.00 34.50 31.34 1q9p s PRO 44 CO 0.02 -0.12 0.35 0.21 0.04 0.00 0.00 177.00 177.50 1q9p s LYS 45 N -0.77 0.39 0.02 4.56 2.20 -0.68 -4.94 119.74 120.50 1q9p s LYS 45 Ca 0.52 0.52 0.05 0.00 -0.36 0.00 0.00 55.97 56.70 1q9p s LYS 45 Cb -0.36 0.14 -0.03 0.00 -1.51 0.00 0.00 37.83 36.07 1q9p s LYS 45 CO 0.42 -0.07 -0.11 -1.64 -0.36 0.00 0.00 175.35 173.59 1q9p s MET 46 N 0.42 2.37 0.05 4.03 -1.94 -1.26 -0.60 119.30 122.37 1q9p s MET 46 Ca -0.02 -0.82 0.04 0.00 -1.71 0.00 0.00 55.69 53.17 1q9p s MET 46 Cb -0.04 -2.38 -0.02 0.00 2.01 0.00 0.00 34.83 34.40 1q9p s MET 46 CO -0.02 0.58 -0.11 -1.50 -0.01 0.00 0.00 175.02 173.96 1q9p s ILE 47 N -0.97 0.81 0.11 2.53 2.07 -1.06 -5.00 121.20 119.70 1q9p s ILE 47 Ca 0.16 -1.04 0.10 0.00 -1.41 0.00 0.00 60.65 58.46 1q9p s ILE 47 Cb -0.11 -0.80 -0.04 0.00 0.13 0.00 0.00 42.46 41.64 1q9p s ILE 47 CO 0.07 -0.20 -0.25 -0.83 -1.91 0.00 0.00 174.94 171.81 1q9p s GLY 48 N -1.39 1.56 0.00 1.50 0.00 -1.26 -2.56 107.32 105.18 1q9p s GLY 48 Ca -0.04 -1.40 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1q9p s GLY 48 CO 0.01 -1.36 0.00 0.61 0.00 0.00 0.00 173.10 172.36 1q9p n GLY 49 N 1.10 -1.61 3.34 0.20 0.00 -1.22 -5.08 105.19 101.92 1q9p n GLY 49 Ca -0.17 0.53 -0.32 0.00 0.00 0.00 0.00 46.02 46.06 1q9p n GLY 49 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1q9p s ILE 50 N 0.00 2.56 -0.17 -0.61 2.07 -1.26 -4.60 121.20 119.19 1q9p s ILE 50 Ca 0.00 -0.88 -0.00 0.00 -1.41 0.00 0.00 60.65 58.36 1q9p s ILE 50 Cb 0.00 -1.99 0.00 0.00 0.13 0.00 0.00 42.46 40.60 1q9p s ILE 50 CO 0.00 0.56 0.02 0.61 -1.91 0.00 0.00 174.94 174.23 1q9p n GLY 51 N 2.96 0.38 7.00 1.50 0.00 -1.26 -4.79 105.19 110.99 1q9p n GLY 51 Ca -0.18 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.08 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 -0.94 2.18 3.51 -0.02 0.00 -1.26 -4.63 105.19 104.03 1q9p n GLY 52 Ca -0.02 -0.36 -0.34 0.00 0.00 0.00 0.00 46.02 45.31 1q9p n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1q9p s PHE 53 N 0.00 2.98 0.08 1.61 0.08 -1.26 -3.41 117.98 118.05 1q9p s PHE 53 Ca 0.00 -0.25 0.08 0.00 0.12 0.00 0.00 56.93 56.88 1q9p s PHE 53 Cb 0.00 -1.88 -0.03 0.00 -0.57 0.00 0.00 43.02 40.54 1q9p s PHE 53 CO 0.00 0.05 -0.20 -1.50 -0.10 0.00 0.00 175.22 173.46 1q9p s ILE 54 N 0.03 1.66 -0.14 0.64 2.07 -1.06 -5.00 121.20 119.40 1q9p s ILE 54 Ca -0.01 -1.38 -0.18 0.00 -1.41 0.00 0.00 60.65 57.67 1q9p s ILE 54 Cb -0.14 -1.48 -0.04 0.00 0.13 0.00 0.00 42.46 40.93 1q9p s ILE 54 CO 0.03 0.04 0.48 -0.54 -1.91 0.00 0.00 174.94 173.04 1q9p s LYS 55 N -1.59 4.30 0.23 3.50 1.02 -1.26 -2.56 119.74 123.38 1q9p s LYS 55 Ca 0.06 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.52 1q9p s LYS 55 Cb -0.09 -3.47 -0.05 0.00 -0.52 0.00 0.00 37.83 33.70 1q9p s LYS 55 CO 0.03 0.09 -0.04 0.14 -0.92 0.00 0.00 175.35 174.65 1q9p s VAL 56 N 0.87 1.25 -0.03 3.17 -7.23 0.24 -4.89 120.40 113.77 1q9p s VAL 56 Ca 0.25 -2.07 0.03 0.00 -1.81 0.00 0.00 61.98 58.38 1q9p s VAL 56 Cb -0.15 -2.28 -0.03 0.00 0.56 0.00 0.00 36.38 34.48 1q9p s VAL 56 CO 0.10 -0.39 -0.12 -0.13 -0.31 0.00 0.00 175.10 174.25 1q9p s ARG 57 N -3.80 2.51 -0.04 4.82 0.52 -0.66 -1.69 118.95 120.60 1q9p s ARG 57 Ca 0.27 -0.70 0.06 0.00 -0.52 0.00 0.00 55.73 54.83 1q9p s ARG 57 Cb 0.04 -2.42 -0.02 0.00 0.52 0.00 0.00 34.95 33.07 1q9p s ARG 57 CO 0.08 0.62 -0.22 1.14 0.02 0.00 0.00 175.30 176.94 1q9p s GLN 58 N -0.97 2.40 -0.07 3.54 -2.07 -1.07 -0.06 119.66 121.36 1q9p s GLN 58 Ca 0.13 -0.85 0.05 0.00 -1.82 0.00 0.00 55.36 52.87 1q9p s GLN 58 Cb -0.11 -2.19 -0.01 0.00 -1.09 0.00 0.00 33.01 29.61 1q9p s GLN 58 CO 0.03 0.50 -0.24 0.71 -1.32 0.00 0.00 175.29 174.97 1q9p s TYR 59 N -0.46 2.49 0.38 9.60 1.51 -1.11 -2.77 117.35 126.99 1q9p s TYR 59 Ca 0.05 -0.72 0.06 0.00 -1.01 0.00 0.00 57.07 55.45 1q9p s TYR 59 Cb -0.12 -1.63 -0.08 0.00 -0.11 0.00 0.00 41.96 40.03 1q9p s TYR 59 CO 0.01 -0.22 0.02 -0.51 -1.11 0.00 0.00 175.55 173.75 1q9p s ASP 60 N -0.11 3.44 -1.24 2.29 1.01 -1.26 -1.38 116.67 119.41 1q9p s ASP 60 Ca -0.05 -1.37 -0.06 0.00 0.71 0.00 0.00 52.55 51.78 1q9p s ASP 60 Cb -0.14 -0.31 0.01 0.00 1.01 0.00 0.00 42.92 43.49 1q9p s ASP 60 CO 0.04 -0.50 0.74 0.00 0.21 0.00 0.00 175.17 175.67 1q9p n GLN 61 N -0.89 -5.35 -4.59 8.23 6.02 -1.26 -5.00 117.38 114.55 1q9p n GLN 61 Ca -0.04 0.74 -0.31 0.00 -0.01 0.00 0.00 57.00 57.38 1q9p n GLN 61 Cb 0.67 -5.35 -0.12 0.00 1.02 0.00 0.00 30.24 26.45 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 -3.17 2.82 -0.06 5.09 1.01 -1.25 -4.99 121.20 120.66 1q9p s ILE 62 Ca 0.37 -1.23 -0.02 0.00 0.00 0.00 0.00 60.65 59.77 1q9p s ILE 62 Cb -0.16 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1q9p s ILE 62 CO 0.45 0.29 0.04 0.27 0.00 0.00 0.00 174.94 176.00 1q9p s ILE 63 N -0.97 4.57 -0.03 2.92 -4.36 -1.26 -2.60 121.20 119.47 1q9p s ILE 63 Ca 0.15 -0.28 0.05 0.00 -0.26 0.00 0.00 60.65 60.32 1q9p s ILE 63 Cb -0.11 -3.00 -0.01 0.00 1.25 0.00 0.00 42.46 40.60 1q9p s ILE 63 CO 0.06 0.50 -0.19 -0.51 0.24 0.00 0.00 174.94 175.04 1q9p s ILE 64 N -1.02 1.56 -0.20 8.37 2.07 0.36 -4.70 121.20 127.64 1q9p s ILE 64 Ca 0.17 -0.82 -0.06 0.00 -1.41 0.00 0.00 60.65 58.53 1q9p s ILE 64 Cb -0.12 -1.31 -0.03 0.00 0.13 0.00 0.00 42.46 41.13 1q9p s ILE 64 CO 0.07 0.44 0.02 -1.61 -1.91 0.00 0.00 174.94 171.96 1q9p s GLU 65 N -0.26 3.70 -0.10 3.50 2.02 -1.05 -2.19 118.70 124.32 1q9p s GLU 65 Ca 0.02 -0.48 0.01 0.00 0.02 0.00 0.00 54.97 54.55 1q9p s GLU 65 Cb -0.10 -3.14 0.02 0.00 0.10 0.00 0.00 34.13 31.01 1q9p s GLU 65 CO 0.01 0.05 -0.11 0.42 0.02 0.00 0.00 175.26 175.64 1q9p s ILE 66 N 0.94 1.23 0.00 -1.63 1.01 -0.98 -2.27 121.20 119.50 1q9p s ILE 66 Ca 0.02 -0.46 0.00 0.00 0.00 0.00 0.00 60.65 60.21 1q9p s ILE 66 Cb -0.14 -1.17 0.00 0.00 0.01 0.00 0.00 42.46 41.16 1q9p s ILE 66 CO 0.02 0.39 0.00 0.00 0.00 0.00 0.00 174.94 175.35 1q9p n ALA 67 N 4.47 0.00 -1.10 9.38 0.00 -1.26 -1.20 120.51 130.79 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 0.51 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.96 1q9p n ALA 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1q9p n GLY 68 N 0.00 -0.07 3.23 0.00 0.00 -1.26 -5.13 105.19 101.96 1q9p n GLY 68 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 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 2.05 -0.06 1.61 3.76 -0.35 -5.13 115.29 117.18 1q9p s HIS 69 Ca 0.00 -0.47 -0.13 0.00 -0.15 0.00 0.00 55.06 54.31 1q9p s HIS 69 Cb 0.00 -1.33 -0.05 0.00 1.11 0.00 0.00 32.58 32.30 1q9p s HIS 69 CO 0.00 -0.10 0.34 0.15 -0.85 0.00 0.00 174.74 174.28 1q9p s LYS 70 N -0.35 3.91 -0.01 1.40 1.02 -1.26 -2.31 119.74 122.14 1q9p s LYS 70 Ca 0.04 0.25 -0.06 0.00 0.02 0.00 0.00 55.97 56.21 1q9p s LYS 70 Cb -0.10 -3.27 0.00 0.00 -0.52 0.00 0.00 37.83 33.95 1q9p s LYS 70 CO 0.01 0.59 0.13 0.00 -0.92 0.00 0.00 175.35 175.16 1q9p s ALA 71 N -0.68 -0.32 -0.05 5.17 0.00 -0.93 -4.74 121.76 120.22 1q9p s ALA 71 Ca 0.21 -0.01 0.04 0.00 0.00 0.00 0.00 51.96 52.19 1q9p s ALA 71 Cb -0.15 0.02 -0.00 0.00 0.00 0.00 0.00 23.12 22.99 1q9p s ALA 71 CO 0.10 -0.17 -0.17 -1.50 0.00 0.00 0.00 175.76 174.02 1q9p s ILE 72 N -1.01 1.40 -0.04 0.00 2.07 -1.26 -0.49 121.20 121.87 1q9p s ILE 72 Ca -0.11 -0.69 -0.25 0.00 -1.41 0.00 0.00 60.65 58.19 1q9p s ILE 72 Cb -0.06 -1.21 0.08 0.00 0.13 0.00 0.00 42.46 41.40 1q9p s ILE 72 CO 0.01 0.41 1.12 0.61 -1.91 0.00 0.00 174.94 175.18 1q9p n GLY 73 N 3.24 0.23 3.74 1.50 0.00 -1.07 -5.01 105.19 107.82 1q9p n GLY 73 Ca -0.19 -1.01 -0.41 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 -2.02 3.85 -0.32 2.61 2.01 -1.26 -3.82 115.64 116.68 1q9p s THR 74 Ca 0.26 1.62 -0.00 0.00 0.31 0.00 0.00 61.69 63.88 1q9p s THR 74 Cb -0.00 -4.03 0.10 0.00 0.01 0.00 0.00 72.50 68.58 1q9p s THR 74 CO -0.01 0.29 0.11 0.68 -0.69 0.00 0.00 174.62 175.00 1q9p s VAL 75 N -0.31 0.93 0.34 3.82 -7.23 -0.48 -4.92 120.40 112.55 1q9p s VAL 75 Ca 0.49 -1.54 -0.29 0.00 -1.81 0.00 0.00 61.98 58.84 1q9p s VAL 75 Cb -0.29 -1.70 -0.10 0.00 0.56 0.00 0.00 36.38 34.84 1q9p s VAL 75 CO 0.35 -0.71 1.36 -0.76 -0.31 0.00 0.00 175.10 175.04 1q9p s LEU 76 N 1.47 4.40 -0.11 1.32 1.43 -1.21 -2.75 118.68 123.23 1q9p s LEU 76 Ca 0.11 2.79 0.03 0.00 -1.03 0.00 0.00 54.13 56.03 1q9p s LEU 76 Cb -0.18 -3.65 -0.01 0.00 0.03 0.00 0.00 46.19 42.38 1q9p s LEU 76 CO -0.22 -0.64 -0.21 -0.69 0.23 0.00 0.00 176.35 174.83 1q9p s VAL 77 N -1.10 2.37 0.19 -1.59 1.01 0.91 -2.11 120.40 120.08 1q9p s VAL 77 Ca 0.50 -0.91 0.01 0.00 0.00 0.00 0.00 61.98 61.58 1q9p s VAL 77 Cb -0.42 -1.94 -0.05 0.00 0.00 0.00 0.00 36.38 33.98 1q9p s VAL 77 CO 0.56 0.55 0.06 -0.83 0.00 0.00 0.00 175.10 175.43 1q9p s GLY 78 N 0.31 1.33 0.65 4.51 0.00 -0.90 -1.66 107.32 111.56 1q9p s GLY 78 Ca -0.16 -1.65 0.43 0.00 0.00 0.00 0.00 44.72 43.34 1q9p s GLY 78 CO 0.08 -1.49 2.31 -0.56 0.00 0.00 0.00 173.10 173.44 1q9p h PRO 79 N 2.64 0.00 -6.50 2.90 0.13 -1.90 -3.29 132.00 125.99 1q9p h PRO 79 Ca -0.37 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.16 1q9p h PRO 79 Cb 1.22 0.00 0.11 0.00 0.13 0.00 0.00 31.00 32.46 1q9p h PRO 79 CO 0.60 0.00 0.15 -2.37 -0.23 0.00 0.00 178.00 176.15 1q9p n THR 80 N -3.06 2.02 -1.40 1.56 5.66 -1.26 -4.81 114.28 112.99 1q9p n THR 80 Ca -0.02 -0.50 -0.29 0.00 -3.05 0.00 0.00 64.05 60.18 1q9p n THR 80 Cb 0.10 -1.04 0.14 0.00 -1.55 0.00 0.00 70.33 67.98 1q9p n THR 80 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 175.07 169.86 1q9p s PRO 81 N -1.61 1.16 0.61 1.09 0.04 -1.26 -3.77 135.00 131.26 1q9p s PRO 81 Ca 0.59 0.49 0.00 0.00 0.04 0.00 0.00 61.00 62.12 1q9p s PRO 81 Cb -0.68 -1.82 0.00 0.00 0.04 0.00 0.00 34.50 32.03 1q9p s PRO 81 CO 0.60 -2.23 0.00 0.28 0.04 0.00 0.00 177.00 175.69 1q9p n VAL 82 N -3.82 0.00 -4.77 -0.36 0.31 -1.26 -4.60 118.33 103.82 1q9p n VAL 82 Ca 0.06 0.00 -0.25 0.00 -0.01 0.00 0.00 64.34 64.15 1q9p n VAL 82 Cb 0.58 -0.05 -0.16 0.00 -0.91 0.00 0.00 33.84 33.30 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 -3.85 1.96 -0.01 4.52 0.01 -1.26 -1.61 114.94 114.70 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 -0.36 -0.00 0.00 0.41 0.00 0.00 41.25 41.30 1q9p s ASN 83 CO 0.00 0.18 -0.07 -0.51 -1.51 0.00 0.00 177.10 175.18 1q9p s ILE 84 N -0.20 0.60 0.29 0.60 2.07 -0.83 -1.33 121.20 122.40 1q9p s ILE 84 Ca 0.02 -0.29 0.10 0.00 -1.41 0.00 0.00 60.65 59.07 1q9p s ILE 84 Cb -0.08 -0.52 -0.05 0.00 0.13 0.00 0.00 42.46 41.94 1q9p s ILE 84 CO 0.00 0.18 -0.09 0.27 -1.91 0.00 0.00 174.94 173.40 1q9p s ILE 85 N 0.01 2.81 0.05 2.00 -4.36 -1.07 -2.38 121.20 118.26 1q9p s ILE 85 Ca 0.00 -2.15 0.00 0.00 -0.26 0.00 0.00 60.65 58.24 1q9p s ILE 85 Cb -0.05 -2.59 -0.00 0.00 1.25 0.00 0.00 42.46 41.06 1q9p s ILE 85 CO -0.00 -0.34 0.01 0.61 0.24 0.00 0.00 174.94 175.46 1q9p n GLY 86 N -0.79 4.05 0.39 6.27 0.00 -1.26 -1.67 105.19 112.19 1q9p n GLY 86 Ca -0.05 -2.05 0.21 0.00 0.00 0.00 0.00 46.02 44.12 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 -0.67 1.61 2.43 -0.58 -0.77 114.38 116.40 1q9p h ARG 87 Ca -0.04 0.00 0.08 0.00 -0.81 0.00 0.00 59.98 59.21 1q9p h ARG 87 Cb 0.15 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.63 1q9p h ARG 87 CO 0.07 0.00 0.33 -0.97 -1.51 0.00 0.00 179.97 177.89 1q9p h ASN 88 N 0.00 0.43 0.03 -3.80 -1.24 -1.74 0.40 115.58 109.66 1q9p h ASN 88 Ca 0.23 0.05 -0.24 0.00 0.71 0.00 0.00 56.30 57.05 1q9p h ASN 88 Cb 1.11 -0.02 0.02 0.00 0.73 0.00 0.00 38.32 40.17 1q9p h ASN 88 CO -0.00 0.26 -0.96 -0.07 -1.29 0.00 0.00 177.43 175.36 1q9p h LEU 89 N 0.57 0.79 -0.98 0.34 -0.00 -1.45 -3.24 115.31 111.35 1q9p h LEU 89 Ca 0.32 -0.77 -0.00 0.00 -0.00 0.00 0.00 57.88 57.43 1q9p h LEU 89 Cb 0.31 -0.25 -0.05 0.00 -0.00 0.00 0.00 40.66 40.68 1q9p h LEU 89 CO -0.25 1.47 0.57 -0.07 -0.00 0.00 0.00 178.44 180.16 1q9p h LEU 90 N 0.21 1.13 -0.99 1.67 3.38 -1.14 -2.12 115.31 117.46 1q9p h LEU 90 Ca -0.13 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.84 1q9p h LEU 90 Cb 1.64 -0.28 -0.07 0.00 0.09 0.00 0.00 40.66 42.04 1q9p h LEU 90 CO 0.19 0.86 0.63 0.74 0.09 0.00 0.00 178.44 180.95 1q9p h THR 91 N 1.30 1.07 -3.69 0.22 2.02 -0.27 -3.38 112.91 110.18 1q9p h THR 91 Ca 0.34 -0.39 -0.65 0.00 0.77 0.00 0.00 66.41 66.47 1q9p h THR 91 Cb -0.06 -0.17 -0.22 0.00 -1.74 0.00 0.00 68.15 65.96 1q9p h THR 91 CO -0.06 0.21 -0.59 -1.58 0.37 0.00 0.00 175.52 173.86 1q9p s GLN 92 N -6.04 3.63 0.00 6.66 0.74 -0.80 -4.71 119.66 119.14 1q9p s GLN 92 Ca -0.12 -0.51 0.00 0.00 0.05 0.00 0.00 55.36 54.78 1q9p s GLN 92 Cb 0.20 -3.44 0.00 0.00 1.10 0.00 0.00 33.01 30.87 1q9p s GLN 92 CO 0.81 -0.24 0.00 1.51 -0.55 0.00 0.00 175.29 176.82 1q9p n ILE 93 N 4.96 0.00 -0.14 -2.34 3.06 -1.26 -4.79 119.36 118.85 1q9p n ILE 93 Ca -0.15 0.00 0.11 0.00 -2.50 0.00 0.00 62.75 60.21 1q9p n ILE 93 Cb 0.51 0.00 0.45 0.00 0.54 0.00 0.00 39.64 41.14 1q9p n ILE 93 CO 0.00 0.00 0.00 1.23 -2.50 0.00 0.00 176.55 175.28 1q9p h GLY 94 N 0.00 0.75 0.00 4.50 0.00 -1.90 -3.46 103.07 102.96 1q9p h GLY 94 Ca 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1q9p h GLY 94 CO 0.00 0.13 0.00 0.00 0.00 0.00 0.00 176.54 176.67