#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qmp s GLN 2 N 0.00 3.71 -0.22 0.54 0.74 -1.26 -5.10 119.66 118.08 2qmp s GLN 2 Ca 0.00 -0.46 -0.05 0.00 0.05 0.00 0.00 55.36 54.90 2qmp s GLN 2 Cb 0.00 -3.25 -0.02 0.00 1.10 0.00 0.00 33.01 30.84 2qmp s GLN 2 CO 0.00 -0.05 -0.01 0.42 -0.55 0.00 0.00 175.29 175.10 2qmp s ILE 3 N 1.23 3.72 0.64 -2.34 1.01 -1.26 -5.09 121.20 119.11 2qmp s ILE 3 Ca 0.04 -0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.14 2qmp s ILE 3 Cb -0.14 -2.70 -0.01 0.00 0.01 0.00 0.00 42.46 39.61 2qmp s ILE 3 CO 0.03 0.41 1.18 0.28 0.00 0.00 0.00 174.94 176.84 2qmp s THR 4 N 1.34 2.72 -1.35 2.92 -1.32 -1.26 -4.97 115.64 113.72 2qmp s THR 4 Ca 0.04 0.40 0.17 0.00 -1.21 0.00 0.00 61.69 61.09 2qmp s THR 4 Cb -0.15 -3.05 0.50 0.00 -1.51 0.00 0.00 72.50 68.30 2qmp s THR 4 CO -0.00 -0.14 1.42 0.18 -2.21 0.00 0.00 174.62 173.87 2qmp n LEU 5 N -2.01 3.58 -0.03 9.08 4.77 -1.26 -4.45 117.00 126.68 2qmp n LEU 5 Ca 0.13 -2.09 0.06 0.00 -0.03 0.00 0.00 56.01 54.08 2qmp n LEU 5 Cb 0.50 -0.39 0.43 0.00 -2.33 0.00 0.00 43.42 41.64 2qmp n LEU 5 CO 0.46 0.85 1.17 -0.50 -1.33 0.00 0.00 177.39 178.04 2qmp h TRP 6 N 3.17 0.52 -2.17 -1.77 -0.00 -2.06 -3.43 115.95 110.21 2qmp h TRP 6 Ca 0.00 0.01 -0.57 0.00 -0.00 0.00 0.00 58.89 58.33 2qmp h TRP 6 Cb 0.94 -0.18 -0.14 0.00 -0.00 0.00 0.00 29.16 29.79 2qmp h TRP 6 CO 0.40 0.31 -0.65 -0.65 -0.00 0.00 0.00 178.44 177.85 2qmp s GLN 7 N -5.49 1.76 0.12 0.49 1.11 -1.26 -5.10 119.66 111.29 2qmp s GLN 7 Ca -0.08 -1.94 -0.33 0.00 0.01 0.00 0.00 55.36 53.02 2qmp s GLN 7 Cb 0.18 -1.44 -0.13 0.00 -1.01 0.00 0.00 33.01 30.61 2qmp s GLN 7 CO 0.74 0.03 1.67 0.54 0.01 0.00 0.00 175.29 178.27 2qmp n ARG 8 N -0.77 2.28 -1.95 2.91 1.74 -1.26 -4.85 116.66 114.76 2qmp n ARG 8 Ca -0.05 0.83 -0.37 0.00 -0.77 0.00 0.00 57.85 57.49 2qmp n ARG 8 Cb 0.65 -2.63 -0.04 0.00 -1.02 0.00 0.00 32.46 29.42 2qmp n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qmp n PRO 9 N 4.24 2.13 -3.25 5.56 -0.04 -1.26 -4.94 135.00 137.44 2qmp n PRO 9 Ca 0.18 -2.55 -0.39 0.00 -0.04 0.00 0.00 63.50 60.70 2qmp n PRO 9 Cb 0.30 -3.44 -0.06 0.00 -0.04 0.00 0.00 33.50 30.27 2qmp n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qmp s LEU 10 N 6.09 4.38 0.19 1.53 1.43 -1.26 -1.18 118.68 129.85 2qmp s LEU 10 Ca 0.60 1.06 0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2qmp s LEU 10 Cb 0.06 -2.85 -0.05 0.00 0.03 0.00 0.00 46.19 43.38 2qmp s LEU 10 CO 0.09 0.08 -0.03 0.68 0.23 0.00 0.00 176.35 177.41 2qmp s VAL 11 N -0.01 0.95 -0.10 -1.59 -7.23 0.13 -4.95 120.40 107.60 2qmp s VAL 11 Ca 0.30 -2.02 -0.18 0.00 -1.81 0.00 0.00 61.98 58.26 2qmp s VAL 11 Cb -0.17 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.60 2qmp s VAL 11 CO 0.15 -0.50 0.49 -0.89 -0.31 0.00 0.00 175.10 174.04 2qmp s THR 12 N -3.47 5.15 0.20 5.32 2.01 -1.26 -0.77 115.64 122.81 2qmp s THR 12 Ca 0.23 0.99 0.11 0.00 0.31 0.00 0.00 61.69 63.33 2qmp s THR 12 Cb 0.05 -3.83 -0.04 0.00 0.01 0.00 0.00 72.50 68.69 2qmp s THR 12 CO 0.05 0.35 -0.19 0.27 -0.69 0.00 0.00 174.62 174.40 2qmp s ILE 13 N 0.45 2.62 -0.16 1.82 -4.36 0.79 -2.30 121.20 120.06 2qmp s ILE 13 Ca 0.27 -1.95 0.02 0.00 -0.26 0.00 0.00 60.65 58.73 2qmp s ILE 13 Cb -0.16 -2.28 0.01 0.00 1.25 0.00 0.00 42.46 41.29 2qmp s ILE 13 CO 0.11 -0.14 -0.21 -0.75 0.24 0.00 0.00 174.94 174.19 2qmp s LYS 14 N -2.79 3.02 -0.15 0.37 2.20 0.03 -1.40 119.74 121.01 2qmp s LYS 14 Ca 0.23 -0.84 -0.09 0.00 -0.36 0.00 0.00 55.97 54.90 2qmp s LYS 14 Cb -0.08 -2.49 0.05 0.00 -1.51 0.00 0.00 37.83 33.80 2qmp s LYS 14 CO 0.12 -0.09 0.37 -1.50 -0.36 0.00 0.00 175.35 173.89 2qmp s ILE 15 N 1.00 -0.02 -1.40 5.43 2.07 -0.31 -1.38 121.20 126.58 2qmp s ILE 15 Ca -0.02 0.08 -0.05 0.00 -1.41 0.00 0.00 60.65 59.25 2qmp s ILE 15 Cb -0.15 -0.54 0.03 0.00 0.13 0.00 0.00 42.46 41.93 2qmp s ILE 15 CO -0.06 0.03 0.42 0.61 -1.91 0.00 0.00 174.94 174.03 2qmp n GLY 16 N 3.94 -0.50 2.54 1.50 0.00 -1.26 -0.41 105.19 111.00 2qmp n GLY 16 Ca -0.21 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2qmp n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmp n GLY 17 N -1.24 0.92 3.57 -0.02 0.00 -1.26 -5.03 105.19 102.13 2qmp n GLY 17 Ca -0.10 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.60 2qmp n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qmp s GLN 18 N -0.15 2.59 -0.17 1.61 -0.21 0.45 -5.11 119.66 118.68 2qmp s GLN 18 Ca 0.00 -0.67 -0.14 0.00 0.02 0.00 0.00 55.36 54.57 2qmp s GLN 18 Cb 0.00 -2.51 -0.05 0.00 1.00 0.00 0.00 33.01 31.46 2qmp s GLN 18 CO 0.00 0.62 0.31 -0.51 -2.12 0.00 0.00 175.29 173.60 2qmp s LEU 19 N -1.14 4.23 0.04 2.90 1.43 -1.26 -1.17 118.68 123.71 2qmp s LEU 19 Ca 0.15 0.51 -0.00 0.00 -1.03 0.00 0.00 54.13 53.75 2qmp s LEU 19 Cb -0.11 -2.40 -0.03 0.00 0.03 0.00 0.00 46.19 43.68 2qmp s LEU 19 CO 0.05 0.07 -0.03 -0.54 0.23 0.00 0.00 176.35 176.12 2qmp s LYS 20 N 0.62 0.48 -0.08 1.70 1.02 -0.49 -4.99 119.74 117.99 2qmp s LYS 20 Ca 0.17 -0.93 -0.13 0.00 0.02 0.00 0.00 55.97 55.09 2qmp s LYS 20 Cb -0.13 0.15 -0.05 0.00 -0.52 0.00 0.00 37.83 37.27 2qmp s LYS 20 CO 0.05 -0.08 0.32 -2.00 -0.92 0.00 0.00 175.35 172.72 2qmp s GLU 21 N -2.75 3.96 0.02 1.68 2.12 -1.26 -0.15 118.70 122.33 2qmp s GLU 21 Ca -0.04 0.21 -0.05 0.00 0.36 0.00 0.00 54.97 55.44 2qmp s GLU 21 Cb -0.01 -3.30 -0.01 0.00 0.26 0.00 0.00 34.13 31.08 2qmp s GLU 21 CO -0.06 0.53 0.09 0.00 -0.54 0.00 0.00 175.26 175.28 2qmp s ALA 22 N -0.45 -0.14 -0.16 6.30 0.00 0.05 -4.54 121.76 122.82 2qmp s ALA 22 Ca 0.20 -0.40 -0.18 0.00 0.00 0.00 0.00 51.96 51.57 2qmp s ALA 22 Cb -0.14 0.18 -0.04 0.00 0.00 0.00 0.00 23.12 23.12 2qmp s ALA 22 CO 0.08 -0.26 0.50 -1.17 0.00 0.00 0.00 175.76 174.91 2qmp s LEU 23 N -1.76 4.21 -0.34 0.00 2.96 0.37 -0.70 118.68 123.42 2qmp s LEU 23 Ca -0.10 0.74 -0.29 0.00 -0.22 0.00 0.00 54.13 54.26 2qmp s LEU 23 Cb -0.05 -2.70 0.00 0.00 0.50 0.00 0.00 46.19 43.94 2qmp s LEU 23 CO -0.02 -0.09 1.37 -0.76 -1.32 0.00 0.00 176.35 175.53 2qmp s LEU 24 N 1.16 3.75 -0.35 -0.68 1.43 -0.33 0.02 118.68 123.69 2qmp s LEU 24 Ca 0.25 1.08 0.01 0.00 -1.03 0.00 0.00 54.13 54.44 2qmp s LEU 24 Cb -0.15 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.64 2qmp s LEU 24 CO 0.10 -1.25 0.12 -0.62 0.23 0.00 0.00 176.35 174.93 2qmp s ASP 25 N 3.40 4.18 0.47 2.29 -1.08 -0.46 -4.77 116.67 120.69 2qmp s ASP 25 Ca 0.60 -2.01 0.30 0.00 -0.52 0.00 0.00 52.55 50.92 2qmp s ASP 25 Cb -0.16 -1.13 1.12 0.00 -1.46 0.00 0.00 42.92 41.28 2qmp s ASP 25 CO 0.28 -0.37 1.87 0.71 0.52 0.00 0.00 175.17 178.18 2qmp h THR 26 N 6.27 0.00 0.00 1.71 1.35 -1.94 -2.63 112.91 117.67 2qmp h THR 26 Ca -0.09 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.24 2qmp h THR 26 Cb 1.00 1.49 0.00 0.00 -1.73 0.00 0.00 68.15 68.91 2qmp h THR 26 CO 0.50 0.00 0.00 1.23 -0.25 0.00 0.00 175.52 177.00 2qmp h GLY 27 N 2.50 0.00 -5.89 5.82 0.00 -1.95 -3.45 103.07 100.10 2qmp h GLY 27 Ca 0.00 0.00 -0.59 0.00 0.00 0.00 0.00 47.33 46.74 2qmp h GLY 27 CO 0.00 0.00 0.04 0.00 0.00 0.00 0.00 176.54 176.58 2qmp s ALA 28 N -3.32 3.51 0.22 3.60 0.00 -0.99 -4.95 121.76 119.83 2qmp s ALA 28 Ca 0.06 -0.26 -0.08 0.00 0.00 0.00 0.00 51.96 51.68 2qmp s ALA 28 Cb 0.06 -2.88 0.17 0.00 0.00 0.00 0.00 23.12 20.47 2qmp s ALA 28 CO 0.63 -0.40 1.82 -0.44 0.00 0.00 0.00 175.76 177.37 2qmp h ASP 29 N 7.30 1.04 -3.44 0.00 3.45 -1.87 0.76 116.42 123.66 2qmp h ASP 29 Ca -0.34 -0.12 -0.61 0.00 0.43 0.00 0.00 57.03 56.39 2qmp h ASP 29 Cb 1.16 -0.27 -0.19 0.00 -0.56 0.00 0.00 39.33 39.47 2qmp h ASP 29 CO 0.76 0.86 -0.81 -1.81 -1.57 0.00 0.00 179.24 176.67 2qmp s ASP 30 N -6.19 3.12 -0.06 6.45 1.01 -1.26 -2.76 116.67 116.98 2qmp s ASP 30 Ca -0.13 -0.84 -0.29 0.00 0.71 0.00 0.00 52.55 52.01 2qmp s ASP 30 Cb 0.16 -0.21 -0.02 0.00 1.01 0.00 0.00 42.92 43.85 2qmp s ASP 30 CO 0.82 0.07 0.94 -0.89 0.21 0.00 0.00 175.17 176.33 2qmp s THR 31 N -1.69 4.86 -0.08 -1.27 2.01 -1.26 -3.73 115.64 114.48 2qmp s THR 31 Ca 0.17 1.94 0.01 0.00 0.31 0.00 0.00 61.69 64.12 2qmp s THR 31 Cb -0.08 -4.27 0.02 0.00 0.01 0.00 0.00 72.50 68.19 2qmp s THR 31 CO 0.08 0.10 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.35 2qmp s VAL 32 N 1.47 0.85 0.14 3.82 1.01 -0.63 -1.07 120.40 126.00 2qmp s VAL 32 Ca 0.48 -0.24 0.10 0.00 0.00 0.00 0.00 61.98 62.32 2qmp s VAL 32 Cb -0.19 -0.86 -0.04 0.00 0.00 0.00 0.00 36.38 35.29 2qmp s VAL 32 CO 0.22 0.32 -0.24 -0.76 0.00 0.00 0.00 175.10 174.64 2qmp s LEU 33 N 1.28 2.46 0.99 3.92 1.43 0.50 -0.56 118.68 128.70 2qmp s LEU 33 Ca -0.04 -0.71 -0.11 0.00 -1.03 0.00 0.00 54.13 52.24 2qmp s LEU 33 Cb -0.14 -1.31 0.19 0.00 0.03 0.00 0.00 46.19 44.96 2qmp s LEU 33 CO -0.03 0.17 1.10 -1.61 0.23 0.00 0.00 176.35 176.21 2qmp s GLU 34 N -2.22 0.42 0.14 1.70 2.02 -1.26 -1.40 118.70 118.11 2qmp s GLU 34 Ca 0.17 1.29 -0.35 0.00 0.02 0.00 0.00 54.97 56.10 2qmp s GLU 34 Cb -0.10 -1.68 -0.15 0.00 0.10 0.00 0.00 34.13 32.30 2qmp s GLU 34 CO 0.08 -2.95 1.37 0.39 0.02 0.00 0.00 175.26 174.17 2qmp n GLU 35 N -4.43 1.49 -3.56 1.61 -0.58 -1.23 -4.57 120.64 109.37 2qmp n GLU 35 Ca 0.09 0.54 -0.07 0.00 -0.42 0.00 0.00 57.16 57.29 2qmp n GLU 35 Cb 0.53 -2.18 -0.02 0.00 -0.57 0.00 0.00 31.44 29.20 2qmp n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qmp s MET 36 N 0.31 0.95 0.03 3.49 0.23 -1.26 -5.04 119.30 118.02 2qmp s MET 36 Ca 0.79 -0.41 -0.14 0.00 -1.03 0.00 0.00 55.69 54.90 2qmp s MET 36 Cb -0.83 0.40 -0.06 0.00 -1.53 0.00 0.00 34.83 32.81 2qmp s MET 36 CO 0.46 -0.42 0.43 1.21 -2.03 0.00 0.00 175.02 174.67 2qmp s ASN 37 N -2.62 6.81 0.03 -1.18 3.84 -1.26 -5.03 114.94 115.54 2qmp s ASN 37 Ca 0.06 0.98 0.01 0.00 0.21 0.00 0.00 52.86 54.13 2qmp s ASN 37 Cb -0.01 -2.25 -0.02 0.00 -0.55 0.00 0.00 41.25 38.41 2qmp s ASN 37 CO -0.06 0.28 -0.06 -0.76 -2.79 0.00 0.00 177.10 173.70 2qmp s LEU 38 N -1.28 2.24 0.60 3.21 1.43 -1.26 -4.93 118.68 118.69 2qmp s LEU 38 Ca 0.27 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.71 2qmp s LEU 38 Cb -0.16 -0.07 -0.04 0.00 0.03 0.00 0.00 46.19 45.95 2qmp s LEU 38 CO 0.15 -0.23 1.04 -2.16 0.23 0.00 0.00 176.35 175.39 2qmp s PRO 39 N -1.49 3.37 0.55 1.29 0.04 -1.26 -4.96 135.00 132.55 2qmp s PRO 39 Ca -0.12 1.08 0.00 0.00 0.04 0.00 0.00 61.00 62.00 2qmp s PRO 39 Cb -0.10 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.40 2qmp s PRO 39 CO -0.00 -0.76 0.00 0.41 0.04 0.00 0.00 177.00 176.69 2qmp n GLY 40 N -1.41 -1.93 3.81 0.56 0.00 -1.26 -4.96 105.19 100.00 2qmp n GLY 40 Ca 0.08 -1.71 -0.33 0.00 0.00 0.00 0.00 46.02 44.05 2qmp n GLY 40 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qmp s ARG 41 N -0.01 3.82 0.06 1.61 0.52 -1.26 -5.08 118.95 118.61 2qmp s ARG 41 Ca 0.00 1.24 -0.04 0.00 -0.52 0.00 0.00 55.73 56.42 2qmp s ARG 41 Cb 0.00 -2.10 -0.03 0.00 0.52 0.00 0.00 34.95 33.34 2qmp s ARG 41 CO 0.00 -0.40 0.05 1.67 0.02 0.00 0.00 175.30 176.64 2qmp s TRP 42 N -2.17 0.38 0.07 -0.53 1.48 -1.26 -4.40 118.94 112.51 2qmp s TRP 42 Ca 0.65 -0.86 0.03 0.00 -1.06 0.00 0.00 56.10 54.85 2qmp s TRP 42 Cb -0.14 -0.26 -0.03 0.00 -1.16 0.00 0.00 33.47 31.87 2qmp s TRP 42 CO 0.23 -0.43 -0.09 -1.59 -4.06 0.00 0.00 176.95 171.01 2qmp s LYS 43 N -3.75 0.71 0.54 3.25 -2.85 -0.91 -4.92 119.74 111.81 2qmp s LYS 43 Ca 0.05 -0.97 -0.18 0.00 -1.00 0.00 0.00 55.97 53.86 2qmp s LYS 43 Cb 0.06 -0.45 -0.06 0.00 -2.06 0.00 0.00 37.83 35.32 2qmp s LYS 43 CO -0.10 0.08 1.06 -1.25 0.10 0.00 0.00 175.35 175.23 2qmp s PRO 44 N -2.21 3.55 0.02 1.78 0.04 -1.26 -0.25 135.00 136.67 2qmp s PRO 44 Ca -0.02 1.32 -0.16 0.00 0.04 0.00 0.00 61.00 62.18 2qmp s PRO 44 Cb -0.06 -2.06 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2qmp s PRO 44 CO 0.00 -0.64 0.35 0.21 0.04 0.00 0.00 177.00 176.96 2qmp s LYS 45 N -3.59 0.80 -0.15 4.56 2.20 -0.27 -4.85 119.74 118.45 2qmp s LYS 45 Ca 0.66 -0.33 -0.02 0.00 -0.36 0.00 0.00 55.97 55.92 2qmp s LYS 45 Cb -0.17 0.36 -0.02 0.00 -1.51 0.00 0.00 37.83 36.49 2qmp s LYS 45 CO 0.28 -0.25 -0.08 -1.64 -0.36 0.00 0.00 175.35 173.30 2qmp s MET 46 N -2.07 3.51 0.05 4.03 -1.94 -1.26 -0.47 119.30 121.15 2qmp s MET 46 Ca -0.08 -0.61 0.09 0.00 -1.71 0.00 0.00 55.69 53.38 2qmp s MET 46 Cb -0.02 -2.80 -0.03 0.00 2.01 0.00 0.00 34.83 33.99 2qmp s MET 46 CO 0.00 0.18 -0.25 0.96 -0.01 0.00 0.00 175.02 175.90 2qmp s ILE 47 N 0.48 2.01 0.38 2.53 -4.36 -0.73 -4.97 121.20 116.55 2qmp s ILE 47 Ca -0.06 -1.35 0.04 0.00 -0.26 0.00 0.00 60.65 59.02 2qmp s ILE 47 Cb -0.15 -1.73 -0.03 0.00 1.25 0.00 0.00 42.46 41.80 2qmp s ILE 47 CO 0.04 0.31 0.12 -0.83 0.24 0.00 0.00 174.94 174.81 2qmp s GLY 48 N -1.25 2.46 0.00 6.27 0.00 -1.26 -0.89 107.32 112.65 2qmp s GLY 48 Ca 0.11 -1.42 0.00 0.00 0.00 0.00 0.00 44.72 43.40 2qmp s GLY 48 CO 0.02 -1.81 0.00 0.61 0.00 0.00 0.00 173.10 171.92 2qmp n GLY 49 N -0.84 -0.42 3.71 0.20 0.00 -0.74 -4.96 105.19 102.14 2qmp n GLY 49 Ca -0.05 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.69 2qmp n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qmp s ILE 50 N -3.89 2.48 0.00 -0.61 1.01 -1.26 -0.93 121.20 117.99 2qmp s ILE 50 Ca 0.00 0.21 0.00 0.00 0.00 0.00 0.00 60.65 60.86 2qmp s ILE 50 Cb 0.00 -3.13 0.00 0.00 0.01 0.00 0.00 42.46 39.34 2qmp s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2qmp n GLY 51 N 4.00 3.42 0.00 6.18 0.00 -1.26 -4.94 105.19 112.59 2qmp n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qmp n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qmp n GLY 52 N -1.87 0.20 3.61 -0.02 0.00 -0.11 -5.07 105.19 101.92 2qmp n GLY 52 Ca 0.00 -2.03 -0.28 0.00 0.00 0.00 0.00 46.02 43.71 2qmp n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qmp s PHE 53 N 0.00 2.78 0.08 1.61 0.08 -1.26 -1.79 117.98 119.48 2qmp s PHE 53 Ca 0.00 -0.15 0.07 0.00 0.12 0.00 0.00 56.93 56.97 2qmp s PHE 53 Cb 0.00 -1.41 -0.03 0.00 -0.57 0.00 0.00 43.02 41.01 2qmp s PHE 53 CO 0.00 0.47 -0.18 0.96 -0.10 0.00 0.00 175.22 176.38 2qmp s ILE 54 N -1.45 1.42 -0.02 0.64 -4.36 -0.07 -4.98 121.20 112.38 2qmp s ILE 54 Ca 0.24 -1.39 -0.23 0.00 -0.26 0.00 0.00 60.65 59.01 2qmp s ILE 54 Cb -0.10 -1.31 -0.05 0.00 1.25 0.00 0.00 42.46 42.25 2qmp s ILE 54 CO 0.16 -0.11 0.69 -0.75 0.24 0.00 0.00 174.94 175.17 2qmp s LYS 55 N -1.74 4.43 0.17 0.37 2.20 -1.26 -1.77 119.74 122.14 2qmp s LYS 55 Ca 0.03 0.89 0.04 0.00 -0.36 0.00 0.00 55.97 56.57 2qmp s LYS 55 Cb -0.10 -3.40 -0.05 0.00 -1.51 0.00 0.00 37.83 32.78 2qmp s LYS 55 CO 0.03 0.19 -0.06 0.14 -0.36 0.00 0.00 175.35 175.29 2qmp s VAL 56 N 0.34 1.08 -0.19 4.02 -7.23 0.38 -4.45 120.40 114.36 2qmp s VAL 56 Ca 0.36 -2.04 -0.12 0.00 -1.81 0.00 0.00 61.98 58.37 2qmp s VAL 56 Cb -0.19 -2.03 -0.05 0.00 0.56 0.00 0.00 36.38 34.68 2qmp s VAL 56 CO 0.19 -0.59 0.21 -0.13 -0.31 0.00 0.00 175.10 174.47 2qmp s ARG 57 N -3.80 4.21 -0.33 4.82 0.52 0.17 -1.11 118.95 123.43 2qmp s ARG 57 Ca 0.21 -0.08 -0.13 0.00 -0.52 0.00 0.00 55.73 55.21 2qmp s ARG 57 Cb 0.04 -3.44 -0.02 0.00 0.52 0.00 0.00 34.95 32.05 2qmp s ARG 57 CO 0.03 0.24 0.27 -1.14 0.02 0.00 0.00 175.30 174.72 2qmp s GLN 58 N 0.51 3.58 -0.20 3.54 0.74 0.65 -0.77 119.66 127.71 2qmp s GLN 58 Ca 0.12 -0.53 -0.05 0.00 0.05 0.00 0.00 55.36 54.95 2qmp s GLN 58 Cb -0.12 -3.79 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 2qmp s GLN 58 CO 0.01 -0.43 -0.01 0.71 -0.55 0.00 0.00 175.29 175.03 2qmp s TYR 59 N 1.81 3.02 0.24 1.67 1.51 -0.39 -2.14 117.35 123.07 2qmp s TYR 59 Ca 0.08 -0.52 0.02 0.00 -1.01 0.00 0.00 57.07 55.64 2qmp s TYR 59 Cb -0.17 -2.08 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 2qmp s TYR 59 CO 0.11 -0.28 0.40 -0.51 -1.11 0.00 0.00 175.55 174.17 2qmp s ASP 60 N 1.04 6.34 -1.30 2.29 1.01 -1.26 -0.63 116.67 124.15 2qmp s ASP 60 Ca 0.02 0.28 -0.03 0.00 0.71 0.00 0.00 52.55 53.52 2qmp s ASP 60 Cb -0.14 -1.95 0.01 0.00 1.01 0.00 0.00 42.92 41.84 2qmp s ASP 60 CO 0.01 -0.10 0.94 0.00 0.21 0.00 0.00 175.17 176.23 2qmp n GLN 61 N -1.16 -6.20 -3.67 8.23 6.02 -1.19 -4.92 117.38 114.49 2qmp n GLN 61 Ca -0.06 0.74 -0.36 0.00 -0.01 0.00 0.00 57.00 57.31 2qmp n GLN 61 Cb 0.55 -5.61 -0.07 0.00 1.02 0.00 0.00 30.24 26.14 2qmp n GLN 61 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 2qmp s ILE 62 N -3.44 5.35 -0.03 5.09 -1.09 -0.05 -4.81 121.20 122.22 2qmp s ILE 62 Ca 0.19 0.40 -0.27 0.00 -2.23 0.00 0.00 60.65 58.73 2qmp s ILE 62 Cb -0.09 -3.54 -0.03 0.00 -1.58 0.00 0.00 42.46 37.22 2qmp s ILE 62 CO 0.77 0.48 0.86 -0.76 -1.23 0.00 0.00 174.94 175.06 2qmp s LEU 63 N -0.11 4.35 0.04 2.97 1.02 -1.26 -1.41 118.68 124.28 2qmp s LEU 63 Ca 0.15 1.46 0.02 0.00 0.02 0.00 0.00 54.13 55.78 2qmp s LEU 63 Cb -0.13 -3.36 -0.02 0.00 0.02 0.00 0.00 46.19 42.70 2qmp s LEU 63 CO 0.03 -0.20 -0.08 -0.63 0.02 0.00 0.00 176.35 175.49 2qmp s ILE 64 N 0.91 0.58 -0.20 -0.59 1.01 -0.25 -4.50 121.20 118.16 2qmp s ILE 64 Ca 0.46 -1.05 -0.01 0.00 0.00 0.00 0.00 60.65 60.04 2qmp s ILE 64 Cb -0.20 -0.63 0.01 0.00 0.01 0.00 0.00 42.46 41.65 2qmp s ILE 64 CO 0.24 -0.34 -0.12 -0.70 0.00 0.00 0.00 174.94 174.02 2qmp s GLU 65 N -1.51 3.16 -0.24 2.79 2.12 -0.48 -0.42 118.70 124.11 2qmp s GLU 65 Ca -0.09 -0.75 -0.02 0.00 0.36 0.00 0.00 54.97 54.48 2qmp s GLU 65 Cb -0.10 -2.80 0.02 0.00 0.26 0.00 0.00 34.13 31.52 2qmp s GLU 65 CO 0.01 -0.22 -0.06 0.42 -0.54 0.00 0.00 175.26 174.87 2qmp s ILE 66 N 1.38 2.90 -1.55 -3.70 1.01 0.78 -0.79 121.20 121.23 2qmp s ILE 66 Ca 0.05 -0.98 -0.07 0.00 0.00 0.00 0.00 60.65 59.65 2qmp s ILE 66 Cb -0.14 -2.45 0.06 0.00 0.01 0.00 0.00 42.46 39.94 2qmp s ILE 66 CO -0.08 0.22 0.44 0.00 0.00 0.00 0.00 174.94 175.52 2qmp n GLY 68 N -1.90 1.80 3.51 0.00 0.00 -1.26 -5.03 105.19 102.30 2qmp n GLY 68 Ca -0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.48 2qmp n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qmp s HIS 69 N -2.65 3.12 0.27 1.61 4.02 0.78 -5.09 115.29 117.35 2qmp s HIS 69 Ca 0.00 -0.25 -0.29 0.00 1.02 0.00 0.00 55.06 55.54 2qmp s HIS 69 Cb 0.00 -2.12 -0.09 0.00 -1.02 0.00 0.00 32.58 29.35 2qmp s HIS 69 CO 0.00 -0.13 0.98 0.15 1.02 0.00 0.00 174.74 176.76 2qmp s LYS 70 N 0.94 4.74 0.13 1.40 1.02 -1.26 -0.15 119.74 126.56 2qmp s LYS 70 Ca 0.03 1.55 -0.10 0.00 0.02 0.00 0.00 55.97 57.46 2qmp s LYS 70 Cb -0.14 -3.16 0.00 0.00 -0.52 0.00 0.00 37.83 34.01 2qmp s LYS 70 CO 0.02 0.39 0.28 0.00 -0.92 0.00 0.00 175.35 175.12 2qmp s ALA 71 N -1.25 -0.29 -0.00 5.17 0.00 0.44 -4.81 121.76 121.01 2qmp s ALA 71 Ca 0.44 -0.62 0.05 0.00 0.00 0.00 0.00 51.96 51.83 2qmp s ALA 71 Cb -0.26 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.54 2qmp s ALA 71 CO 0.33 -0.61 -0.16 0.42 0.00 0.00 0.00 175.76 175.75 2qmp s ILE 72 N -3.90 1.24 -0.48 0.00 1.01 -1.26 -1.09 121.20 116.73 2qmp s ILE 72 Ca 0.10 -0.73 0.00 0.00 0.00 0.00 0.00 60.65 60.02 2qmp s ILE 72 Cb 0.03 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.46 2qmp s ILE 72 CO -0.06 0.31 0.00 0.61 0.00 0.00 0.00 174.94 175.80 2qmp n GLY 73 N 2.57 -1.26 3.73 6.18 0.00 -0.50 -4.91 105.19 111.00 2qmp n GLY 73 Ca -0.15 -0.87 -0.41 0.00 0.00 0.00 0.00 46.02 44.59 2qmp n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qmp s THR 74 N -2.87 4.41 -0.11 2.61 2.01 -1.26 -0.87 115.64 119.55 2qmp s THR 74 Ca 0.00 2.01 0.02 0.00 0.31 0.00 0.00 61.69 64.03 2qmp s THR 74 Cb 0.00 -4.28 0.01 0.00 0.01 0.00 0.00 72.50 68.24 2qmp s THR 74 CO 0.00 0.31 -0.17 -0.69 -0.69 0.00 0.00 174.62 173.38 2qmp s VAL 75 N -0.02 1.63 -0.05 3.82 1.01 0.20 -4.47 120.40 122.51 2qmp s VAL 75 Ca 0.47 -0.72 -0.11 0.00 0.00 0.00 0.00 61.98 61.62 2qmp s VAL 75 Cb -0.24 -1.47 -0.05 0.00 0.00 0.00 0.00 36.38 34.62 2qmp s VAL 75 CO 0.30 0.47 0.30 -0.76 0.00 0.00 0.00 175.10 175.41 2qmp s LEU 76 N 0.91 4.44 -0.09 3.92 1.43 -0.23 -1.26 118.68 127.79 2qmp s LEU 76 Ca -0.08 0.76 0.02 0.00 -1.03 0.00 0.00 54.13 53.80 2qmp s LEU 76 Cb -0.15 -2.38 0.01 0.00 0.03 0.00 0.00 46.19 43.70 2qmp s LEU 76 CO -0.01 0.36 -0.14 -0.69 0.23 0.00 0.00 176.35 176.10 2qmp s VAL 77 N -1.07 1.35 -0.31 -1.59 1.01 0.05 -0.37 120.40 119.47 2qmp s VAL 77 Ca 0.20 -0.56 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2qmp s VAL 77 Cb -0.15 -1.24 0.00 0.00 0.00 0.00 0.00 36.38 34.99 2qmp s VAL 77 CO 0.10 0.41 0.00 0.61 0.00 0.00 0.00 175.10 176.22 2qmp n GLY 78 N 4.14 -1.24 2.13 4.51 0.00 -0.49 -0.66 105.19 113.57 2qmp n GLY 78 Ca -0.19 -0.85 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 2qmp n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qmp n PRO 79 N -0.01 2.67 -2.56 1.61 -0.04 -1.26 -3.56 135.00 131.84 2qmp n PRO 79 Ca 0.00 -1.47 -0.38 0.00 -0.04 0.00 0.00 63.50 61.60 2qmp n PRO 79 Cb 0.00 -2.32 -0.05 0.00 -0.04 0.00 0.00 33.50 31.10 2qmp n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qmp s THR 80 N 1.48 3.71 -0.53 0.52 -1.32 -1.26 -4.95 115.64 113.28 2qmp s THR 80 Ca 0.68 1.53 0.24 0.00 -1.21 0.00 0.00 61.69 62.92 2qmp s THR 80 Cb 0.26 -3.90 0.25 0.00 -1.51 0.00 0.00 72.50 67.60 2qmp s THR 80 CO -0.02 0.22 1.71 -0.81 -2.21 0.00 0.00 174.62 173.51 2qmp n PRO 81 N 0.68 0.19 -3.68 7.08 -0.04 -1.26 -4.70 135.00 133.27 2qmp n PRO 81 Ca 0.01 0.39 -0.14 0.00 -0.04 0.00 0.00 63.50 63.72 2qmp n PRO 81 Cb 0.47 -1.85 -0.08 0.00 -0.04 0.00 0.00 33.50 32.00 2qmp n PRO 81 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2qmp s VAL 82 N -3.28 0.01 0.08 0.52 0.11 -1.26 -5.11 120.40 111.48 2qmp s VAL 82 Ca 0.05 -0.11 -0.31 0.00 -2.93 0.00 0.00 61.98 58.68 2qmp s VAL 82 Cb 0.10 -0.75 -0.08 0.00 -1.53 0.00 0.00 36.38 34.11 2qmp s VAL 82 CO 0.41 -0.06 1.61 0.20 -3.33 0.00 0.00 175.10 173.93 2qmp s ASN 83 N -0.39 6.63 -0.08 3.54 0.01 -1.26 -4.75 114.94 118.64 2qmp s ASN 83 Ca -0.05 2.47 0.04 0.00 -0.71 0.00 0.00 52.86 54.61 2qmp s ASN 83 Cb -0.03 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.06 2qmp s ASN 83 CO 0.03 -0.85 -0.20 -0.63 -1.51 0.00 0.00 177.10 173.94 2qmp s ILE 84 N 2.30 1.74 -0.37 0.60 1.01 0.27 -0.48 121.20 126.28 2qmp s ILE 84 Ca 0.72 -0.85 -0.15 0.00 0.00 0.00 0.00 60.65 60.37 2qmp s ILE 84 Cb -0.40 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.56 2qmp s ILE 84 CO 0.32 0.49 0.33 -0.63 0.00 0.00 0.00 174.94 175.45 2qmp s ILE 85 N 0.32 5.21 0.72 2.92 -1.09 0.10 -1.60 121.20 127.78 2qmp s ILE 85 Ca -0.14 -0.26 0.00 0.00 -2.23 0.00 0.00 60.65 58.02 2qmp s ILE 85 Cb -0.16 -3.86 0.13 0.00 -1.58 0.00 0.00 42.46 36.99 2qmp s ILE 85 CO 0.06 -0.18 0.99 -0.83 -1.23 0.00 0.00 174.94 173.75 2qmp s GLY 86 N 1.73 1.75 0.48 6.18 0.00 -1.24 -1.36 107.32 114.87 2qmp s GLY 86 Ca 0.09 -1.83 0.15 0.00 0.00 0.00 0.00 44.72 43.12 2qmp s GLY 86 CO 0.11 -1.25 2.08 3.21 0.00 0.00 0.00 173.10 177.26 2qmp h ARG 87 N -0.50 0.18 -0.21 2.90 3.08 -0.85 -1.45 114.38 117.53 2qmp h ARG 87 Ca -0.35 -0.01 0.06 0.00 0.07 0.00 0.00 59.98 59.75 2qmp h ARG 87 Cb 1.27 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.27 2qmp h ARG 87 CO 0.39 0.12 0.16 -2.95 -1.07 0.00 0.00 179.97 176.62 2qmp h ASN 88 N 0.19 0.00 0.00 7.04 -1.07 -1.78 -2.04 115.58 117.92 2qmp h ASN 88 Ca 0.11 0.00 -0.29 0.00 0.07 0.00 0.00 56.30 56.19 2qmp h ASN 88 Cb 0.20 0.00 -0.05 0.00 -2.07 0.00 0.00 38.32 36.40 2qmp h ASN 88 CO -0.02 0.00 -2.10 0.18 0.07 0.00 0.00 177.43 175.56 2qmp n LEU 89 N -4.30 0.54 -0.35 6.14 4.77 -0.86 -4.49 117.00 118.45 2qmp n LEU 89 Ca 0.02 -0.02 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 2qmp n LEU 89 Cb 0.30 0.19 0.25 0.00 -2.33 0.00 0.00 43.42 41.83 2qmp n LEU 89 CO 0.33 0.47 1.24 -0.07 -1.33 0.00 0.00 177.39 178.03 2qmp h LEU 90 N 0.00 0.91 -1.19 2.23 3.38 -1.08 -1.74 115.31 117.81 2qmp h LEU 90 Ca -0.44 0.04 0.03 0.00 0.09 0.00 0.00 57.88 57.61 2qmp h LEU 90 Cb 1.93 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 42.49 2qmp h LEU 90 CO 0.01 0.49 0.55 0.71 0.09 0.00 0.00 178.44 180.29 2qmp h THR 91 N 0.98 1.14 0.00 0.22 1.35 -1.61 -1.50 112.91 113.50 2qmp h THR 91 Ca 0.49 -0.36 -0.07 0.00 -0.55 0.00 0.00 66.41 65.91 2qmp h THR 91 Cb 0.48 0.00 -0.01 0.00 -1.73 0.00 0.00 68.15 66.89 2qmp h THR 91 CO -0.25 0.19 -0.34 1.56 -0.25 0.00 0.00 175.52 176.43 2qmp h GLN 92 N 1.05 0.00 -0.05 4.72 1.08 -1.54 -1.89 115.11 118.47 2qmp h GLN 92 Ca 0.33 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.53 2qmp h GLN 92 Cb 0.02 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.45 2qmp h GLN 92 CO -0.10 0.34 0.00 0.44 -0.95 0.00 0.00 178.83 178.56 2qmp n ILE 93 N -3.52 0.04 -2.20 2.54 -5.35 -1.14 -4.93 119.36 104.80 2qmp n ILE 93 Ca -0.00 -0.41 -0.03 0.00 -0.27 0.00 0.00 62.75 62.04 2qmp n ILE 93 Cb 0.48 1.00 0.00 0.00 -1.74 0.00 0.00 39.64 39.39 2qmp n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qmp n GLY 94 N 1.28 0.38 3.71 3.28 0.00 -0.71 -5.01 105.19 108.11 2qmp n GLY 94 Ca 0.16 -0.71 -0.42 0.00 0.00 0.00 0.00 46.02 45.05 2qmp n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qmp s THR 96 N 1.01 1.35 -0.07 0.00 -4.23 -1.26 -4.68 115.64 107.76 2qmp s THR 96 Ca 0.54 -1.69 -0.19 0.00 -1.18 0.00 0.00 61.69 59.17 2qmp s THR 96 Cb -0.24 -1.52 -0.05 0.00 1.34 0.00 0.00 72.50 72.03 2qmp s THR 96 CO 0.29 -0.39 0.52 -0.76 -0.54 0.00 0.00 174.62 173.74 2qmp s LEU 97 N -2.40 4.34 -0.02 4.79 1.43 -1.26 -5.09 118.68 120.47 2qmp s LEU 97 Ca 0.08 0.96 0.02 0.00 -1.03 0.00 0.00 54.13 54.17 2qmp s LEU 97 Cb -0.05 -2.78 0.00 0.00 0.03 0.00 0.00 46.19 43.39 2qmp s LEU 97 CO 0.03 0.06 -0.08 0.20 0.23 0.00 0.00 176.35 176.79 2qmp s ASN 98 N 0.21 1.10 0.00 2.29 -0.87 -1.26 -5.30 114.94 111.12 2qmp s ASN 98 Ca 0.28 -0.17 0.00 0.00 -1.57 0.00 0.00 52.86 51.40 2qmp s ASN 98 Cb -0.16 -0.29 0.00 0.00 -0.02 0.00 0.00 41.25 40.77 2qmp s ASN 98 CO 0.13 0.06 0.00 2.22 -2.57 0.00 0.00 177.10 176.94