#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi7 s GLN 2 N 0.00 4.10 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.53 2qi7 s GLN 2 Ca 0.00 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.19 2qi7 s GLN 2 Cb 0.00 -3.38 0.03 0.00 1.10 0.00 0.00 33.01 30.76 2qi7 s GLN 2 CO 0.00 0.34 -0.14 0.42 -0.55 0.00 0.00 175.29 175.35 2qi7 s ILE 3 N 0.24 1.72 0.72 -2.34 1.01 -1.26 -5.12 121.20 116.18 2qi7 s ILE 3 Ca 0.08 -0.83 -0.07 0.00 0.00 0.00 0.00 60.65 59.83 2qi7 s ILE 3 Cb -0.11 -1.65 0.07 0.00 0.01 0.00 0.00 42.46 40.78 2qi7 s ILE 3 CO -0.01 0.39 1.04 0.42 0.00 0.00 0.00 174.94 176.78 2qi7 s THR 4 N 1.41 2.23 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.54 2qi7 s THR 4 Ca 0.03 -0.25 0.19 0.00 -1.18 0.00 0.00 61.69 60.47 2qi7 s THR 4 Cb -0.14 -2.98 0.29 0.00 1.34 0.00 0.00 72.50 71.01 2qi7 s THR 4 CO -0.10 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.31 2qi7 n LEU 5 N -2.99 2.34 0.24 4.79 4.77 -1.26 -4.52 117.00 120.38 2qi7 n LEU 5 Ca 0.09 -3.10 0.12 0.00 -0.03 0.00 0.00 56.01 53.08 2qi7 n LEU 5 Cb 0.60 -0.43 0.49 0.00 -2.33 0.00 0.00 43.42 41.76 2qi7 n LEU 5 CO 0.52 0.73 0.85 -0.50 -1.33 0.00 0.00 177.39 177.66 2qi7 h TRP 6 N 0.04 0.00 -2.42 -1.77 6.55 -2.07 -3.43 115.95 112.85 2qi7 h TRP 6 Ca -0.00 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.24 2qi7 h TRP 6 Cb 1.00 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.16 2qi7 h TRP 6 CO 0.03 0.15 -0.77 0.15 -1.05 0.00 0.00 178.44 176.95 2qi7 s LYS 7 N -3.60 1.62 0.21 0.49 -0.14 -1.26 -5.11 119.74 111.95 2qi7 s LYS 7 Ca 0.01 -1.72 -0.32 0.00 -1.36 0.00 0.00 55.97 52.58 2qi7 s LYS 7 Cb 0.09 -1.71 -0.13 0.00 -1.68 0.00 0.00 37.83 34.40 2qi7 s LYS 7 CO 0.61 0.32 1.61 0.54 -0.76 0.00 0.00 175.35 177.68 2qi7 n ARG 8 N -0.47 2.45 -1.35 1.68 1.74 -1.26 -4.86 116.66 114.58 2qi7 n ARG 8 Ca -0.06 0.88 -0.41 0.00 -0.77 0.00 0.00 57.85 57.49 2qi7 n ARG 8 Cb 0.59 -2.66 -0.03 0.00 -1.02 0.00 0.00 32.46 29.34 2qi7 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi7 n PRO 9 N 3.23 2.24 -3.05 5.56 -0.04 -1.26 -4.92 135.00 136.77 2qi7 n PRO 9 Ca 0.15 -2.13 -0.39 0.00 -0.04 0.00 0.00 63.50 61.08 2qi7 n PRO 9 Cb 0.33 -3.02 -0.06 0.00 -0.04 0.00 0.00 33.50 30.71 2qi7 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi7 s LEU 10 N 1.41 4.50 0.09 1.53 1.43 -1.26 -1.22 118.68 125.17 2qi7 s LEU 10 Ca 0.53 1.46 0.02 0.00 -1.03 0.00 0.00 54.13 55.10 2qi7 s LEU 10 Cb 0.14 -3.17 -0.04 0.00 0.03 0.00 0.00 46.19 43.15 2qi7 s LEU 10 CO 0.01 0.12 -0.07 0.68 0.23 0.00 0.00 176.35 177.32 2qi7 s VAL 11 N -0.57 0.69 0.06 -1.59 -7.23 0.18 -4.95 120.40 106.99 2qi7 s VAL 11 Ca 0.35 -1.77 -0.28 0.00 -1.81 0.00 0.00 61.98 58.47 2qi7 s VAL 11 Cb -0.21 -1.48 -0.05 0.00 0.56 0.00 0.00 36.38 35.20 2qi7 s VAL 11 CO 0.23 -0.77 0.90 -0.89 -0.31 0.00 0.00 175.10 174.26 2qi7 s THR 12 N -3.16 4.67 0.22 5.32 2.01 -1.26 -0.78 115.64 122.66 2qi7 s THR 12 Ca 0.08 1.93 0.11 0.00 0.31 0.00 0.00 61.69 64.11 2qi7 s THR 12 Cb 0.02 -4.26 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2qi7 s THR 12 CO -0.04 0.29 -0.18 0.27 -0.69 0.00 0.00 174.62 174.28 2qi7 s ILE 13 N 0.25 2.66 -0.17 1.82 -4.36 0.84 -2.30 121.20 119.94 2qi7 s ILE 13 Ca 0.45 -2.04 0.01 0.00 -0.26 0.00 0.00 60.65 58.82 2qi7 s ILE 13 Cb -0.22 -2.33 0.02 0.00 1.25 0.00 0.00 42.46 41.18 2qi7 s ILE 13 CO 0.27 -0.21 -0.20 -0.60 0.24 0.00 0.00 174.94 174.43 2qi7 s ARG 14 N -3.02 3.00 -0.08 0.37 3.52 -0.21 -1.62 118.95 120.92 2qi7 s ARG 14 Ca 0.25 -0.84 -0.03 0.00 -0.13 0.00 0.00 55.73 54.98 2qi7 s ARG 14 Cb -0.07 -2.53 0.04 0.00 -1.56 0.00 0.00 34.95 30.83 2qi7 s ARG 14 CO 0.13 -0.14 0.15 -1.50 -0.81 0.00 0.00 175.30 173.13 2qi7 s ILE 15 N 1.13 -0.22 -1.65 4.11 2.07 -0.54 -1.60 121.20 124.50 2qi7 s ILE 15 Ca 0.01 0.33 -0.02 0.00 -1.41 0.00 0.00 60.65 59.56 2qi7 s ILE 15 Cb -0.14 -0.28 0.00 0.00 0.13 0.00 0.00 42.46 42.18 2qi7 s ILE 15 CO -0.09 0.14 0.27 0.61 -1.91 0.00 0.00 174.94 173.96 2qi7 n GLY 16 N 5.15 -0.51 2.33 1.50 0.00 -1.26 -1.67 105.19 110.73 2qi7 n GLY 16 Ca -0.08 0.06 -0.00 0.00 0.00 0.00 0.00 46.02 46.00 2qi7 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi7 n GLY 17 N -1.23 0.36 3.63 -0.02 0.00 -1.26 -5.01 105.19 101.66 2qi7 n GLY 17 Ca -0.18 -0.04 -0.34 0.00 0.00 0.00 0.00 46.02 45.46 2qi7 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi7 s GLN 18 N -0.78 2.86 -0.14 1.61 -1.52 -0.67 -5.10 119.66 115.92 2qi7 s GLN 18 Ca 0.00 -0.48 -0.13 0.00 -1.95 0.00 0.00 55.36 52.80 2qi7 s GLN 18 Cb 0.00 -2.69 -0.05 0.00 -0.22 0.00 0.00 33.01 30.06 2qi7 s GLN 18 CO 0.00 0.68 0.27 -0.51 -0.25 0.00 0.00 175.29 175.48 2qi7 s LEU 19 N -0.84 4.29 0.07 2.90 1.43 -1.26 -1.47 118.68 123.80 2qi7 s LEU 19 Ca 0.13 0.53 0.01 0.00 -1.03 0.00 0.00 54.13 53.77 2qi7 s LEU 19 Cb -0.11 -2.34 -0.03 0.00 0.03 0.00 0.00 46.19 43.74 2qi7 s LEU 19 CO 0.02 0.17 -0.06 -0.54 0.23 0.00 0.00 176.35 176.17 2qi7 s LYS 20 N 0.08 0.66 -0.09 1.70 1.02 -0.64 -4.98 119.74 117.48 2qi7 s LYS 20 Ca 0.16 -1.08 -0.13 0.00 0.02 0.00 0.00 55.97 54.95 2qi7 s LYS 20 Cb -0.13 -0.14 -0.05 0.00 -0.52 0.00 0.00 37.83 36.99 2qi7 s LYS 20 CO 0.04 -0.02 0.30 -1.21 -0.92 0.00 0.00 175.35 173.55 2qi7 s GLU 21 N -2.96 3.94 0.03 1.68 0.41 -1.26 -0.11 118.70 120.44 2qi7 s GLU 21 Ca 0.02 0.16 -0.01 0.00 -0.41 0.00 0.00 54.97 54.72 2qi7 s GLU 21 Cb -0.00 -3.30 -0.03 0.00 -1.78 0.00 0.00 34.13 29.02 2qi7 s GLU 21 CO -0.04 0.53 -0.01 0.00 -0.49 0.00 0.00 175.26 175.25 2qi7 s ALA 22 N -0.43 0.22 -0.22 5.21 0.00 0.04 -4.61 121.76 121.98 2qi7 s ALA 22 Ca 0.19 -0.80 -0.13 0.00 0.00 0.00 0.00 51.96 51.22 2qi7 s ALA 22 Cb -0.14 0.21 -0.04 0.00 0.00 0.00 0.00 23.12 23.14 2qi7 s ALA 22 CO 0.07 -0.26 0.27 -1.17 0.00 0.00 0.00 175.76 174.67 2qi7 s LEU 23 N -2.10 4.14 -0.30 0.00 2.96 -0.10 -0.65 118.68 122.62 2qi7 s LEU 23 Ca -0.06 0.30 -0.29 0.00 -0.22 0.00 0.00 54.13 53.87 2qi7 s LEU 23 Cb -0.02 -2.30 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 2qi7 s LEU 23 CO -0.05 -0.00 1.43 -0.76 -1.32 0.00 0.00 176.35 175.65 2qi7 s LEU 24 N 1.16 3.80 -0.43 -0.68 1.43 -0.36 -0.20 118.68 123.41 2qi7 s LEU 24 Ca 0.13 1.24 0.02 0.00 -1.03 0.00 0.00 54.13 54.49 2qi7 s LEU 24 Cb -0.14 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.67 2qi7 s LEU 24 CO 0.06 -1.23 0.22 -0.62 0.23 0.00 0.00 176.35 175.01 2qi7 s ASP 25 N 3.56 3.83 0.57 2.29 -1.08 -0.40 -4.79 116.67 120.66 2qi7 s ASP 25 Ca 0.62 -2.55 0.35 0.00 -0.52 0.00 0.00 52.55 50.45 2qi7 s ASP 25 Cb -0.18 -1.13 1.55 0.00 -1.46 0.00 0.00 42.92 41.70 2qi7 s ASP 25 CO 0.27 -0.28 2.05 0.71 0.52 0.00 0.00 175.17 178.44 2qi7 h THR 26 N 5.48 0.07 0.00 1.71 1.35 -1.93 -1.82 112.91 117.77 2qi7 h THR 26 Ca -0.03 -0.46 0.00 0.00 -0.55 0.00 0.00 66.41 65.37 2qi7 h THR 26 Cb 0.94 1.42 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 2qi7 h THR 26 CO 0.51 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 176.41 2qi7 n GLY 27 N -0.21 -1.06 3.51 5.82 0.00 -1.26 -4.76 105.19 107.24 2qi7 n GLY 27 Ca -0.00 -0.19 -0.36 0.00 0.00 0.00 0.00 46.02 45.47 2qi7 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi7 s ALA 28 N -2.11 3.22 0.22 4.61 0.00 -0.68 -4.98 121.76 122.03 2qi7 s ALA 28 Ca 0.44 -0.98 -0.06 0.00 0.00 0.00 0.00 51.96 51.36 2qi7 s ALA 28 Cb 0.22 -1.98 0.19 0.00 0.00 0.00 0.00 23.12 21.54 2qi7 s ALA 28 CO 0.39 -0.21 1.72 -0.44 0.00 0.00 0.00 175.76 177.22 2qi7 h ASP 29 N 7.60 0.97 -2.76 0.00 3.32 -1.86 0.19 116.42 123.88 2qi7 h ASP 29 Ca -0.37 -0.23 -0.63 0.00 0.02 0.00 0.00 57.03 55.82 2qi7 h ASP 29 Cb 1.18 -0.26 -0.16 0.00 0.22 0.00 0.00 39.33 40.31 2qi7 h ASP 29 CO 0.62 0.98 -0.78 -1.81 -1.72 0.00 0.00 179.24 176.52 2qi7 s ASP 30 N -6.55 3.61 -0.15 6.45 1.01 -1.26 -2.34 116.67 117.44 2qi7 s ASP 30 Ca -0.11 -0.90 -0.22 0.00 0.71 0.00 0.00 52.55 52.04 2qi7 s ASP 30 Cb 0.15 -0.34 -0.03 0.00 1.01 0.00 0.00 42.92 43.71 2qi7 s ASP 30 CO 0.84 0.08 0.66 -0.89 0.21 0.00 0.00 175.17 176.07 2qi7 s THR 31 N -2.03 5.03 -0.10 -1.27 2.01 -1.26 -3.44 115.64 114.58 2qi7 s THR 31 Ca 0.25 1.28 -0.01 0.00 0.31 0.00 0.00 61.69 63.53 2qi7 s THR 31 Cb -0.07 -3.98 0.03 0.00 0.01 0.00 0.00 72.50 68.49 2qi7 s THR 31 CO 0.13 0.16 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.47 2qi7 s VAL 32 N 1.53 0.87 0.07 3.82 1.01 -0.65 -1.03 120.40 126.02 2qi7 s VAL 32 Ca 0.32 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2qi7 s VAL 32 Cb -0.16 -0.92 -0.04 0.00 0.00 0.00 0.00 36.38 35.26 2qi7 s VAL 32 CO 0.12 0.34 -0.03 -0.76 0.00 0.00 0.00 175.10 174.78 2qi7 s LEU 33 N 1.77 3.36 0.99 3.92 1.43 0.89 -0.98 118.68 130.07 2qi7 s LEU 33 Ca 0.05 -0.19 -0.11 0.00 -1.03 0.00 0.00 54.13 52.85 2qi7 s LEU 33 Cb -0.12 -2.07 0.19 0.00 0.03 0.00 0.00 46.19 44.21 2qi7 s LEU 33 CO -0.08 0.20 1.10 -1.61 0.23 0.00 0.00 176.35 176.20 2qi7 s GLU 34 N -2.10 0.45 0.03 1.70 2.02 -1.26 -1.25 118.70 118.29 2qi7 s GLU 34 Ca 0.23 1.28 -0.38 0.00 0.02 0.00 0.00 54.97 56.12 2qi7 s GLU 34 Cb -0.11 -1.68 -0.18 0.00 0.10 0.00 0.00 34.13 32.26 2qi7 s GLU 34 CO 0.15 -2.93 1.29 -1.91 0.02 0.00 0.00 175.26 171.88 2qi7 n GLU 35 N -4.42 0.78 -3.59 1.61 4.07 -1.25 -4.58 120.64 113.27 2qi7 n GLU 35 Ca 0.09 0.28 -0.08 0.00 -0.06 0.00 0.00 57.16 57.39 2qi7 n GLU 35 Cb 0.53 -1.88 -0.02 0.00 -0.06 0.00 0.00 31.44 30.01 2qi7 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi7 s MET 36 N 0.57 1.18 -0.14 5.31 0.23 -1.26 -5.05 119.30 120.15 2qi7 s MET 36 Ca 0.88 -0.54 -0.15 0.00 -1.03 0.00 0.00 55.69 54.85 2qi7 s MET 36 Cb -1.07 0.48 -0.05 0.00 -1.53 0.00 0.00 34.83 32.67 2qi7 s MET 36 CO 0.52 -0.53 0.36 -0.80 -2.03 0.00 0.00 175.02 172.54 2qi7 s ASN 37 N -2.73 6.54 0.06 -1.18 0.02 -1.26 -5.05 114.94 111.34 2qi7 s ASN 37 Ca 0.06 0.64 0.05 0.00 -1.02 0.00 0.00 52.86 52.60 2qi7 s ASN 37 Cb -0.02 -2.22 -0.03 0.00 0.02 0.00 0.00 41.25 39.00 2qi7 s ASN 37 CO -0.05 0.08 -0.14 -0.76 0.02 0.00 0.00 177.10 176.24 2qi7 s LEU 38 N 0.43 2.25 0.58 0.60 1.43 -1.26 -5.08 118.68 117.63 2qi7 s LEU 38 Ca 0.20 -0.57 -0.15 0.00 -1.03 0.00 0.00 54.13 52.58 2qi7 s LEU 38 Cb -0.14 -0.56 -0.05 0.00 0.03 0.00 0.00 46.19 45.47 2qi7 s LEU 38 CO 0.07 -0.04 1.03 -2.16 0.23 0.00 0.00 176.35 175.48 2qi7 s PRO 39 N -1.56 3.51 0.00 1.29 0.05 -1.26 -4.97 135.00 132.07 2qi7 s PRO 39 Ca -0.00 1.03 0.00 0.00 0.05 0.00 0.00 61.00 62.08 2qi7 s PRO 39 Cb -0.09 -2.07 0.00 0.00 0.05 0.00 0.00 34.50 32.39 2qi7 s PRO 39 CO 0.02 -0.64 0.00 0.41 0.05 0.00 0.00 177.00 176.84 2qi7 n GLY 40 N -1.54 0.06 3.77 0.56 0.00 -1.26 -4.96 105.19 101.83 2qi7 n GLY 40 Ca 0.07 -1.99 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 2qi7 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi7 s LYS 41 N -1.01 3.96 0.20 1.61 0.00 -1.26 -5.05 119.74 118.19 2qi7 s LYS 41 Ca 0.00 1.90 0.03 0.00 0.00 0.00 0.00 55.97 57.90 2qi7 s LYS 41 Cb 0.00 -2.64 -0.05 0.00 0.00 0.00 0.00 37.83 35.14 2qi7 s LYS 41 CO 0.00 -0.41 0.00 1.67 0.00 0.00 0.00 175.35 176.61 2qi7 s TRP 42 N -1.40 1.39 -0.03 1.78 1.48 -1.26 -4.63 118.94 116.27 2qi7 s TRP 42 Ca 0.58 -0.98 0.06 0.00 -1.06 0.00 0.00 56.10 54.71 2qi7 s TRP 42 Cb -0.32 -0.80 -0.01 0.00 -1.16 0.00 0.00 33.47 31.18 2qi7 s TRP 42 CO 0.40 -0.14 -0.21 0.15 -4.06 0.00 0.00 176.95 173.09 2qi7 s LYS 43 N -3.90 1.85 0.30 3.25 -0.14 -0.66 -4.90 119.74 115.54 2qi7 s LYS 43 Ca 0.27 -0.76 -0.30 0.00 -1.36 0.00 0.00 55.97 53.82 2qi7 s LYS 43 Cb 0.06 -1.73 -0.11 0.00 -1.68 0.00 0.00 37.83 34.37 2qi7 s LYS 43 CO 0.07 0.42 1.53 -2.14 -0.76 0.00 0.00 175.35 174.47 2qi7 s PRO 44 N -0.38 4.16 0.04 -1.68 0.02 -1.26 -0.18 135.00 135.71 2qi7 s PRO 44 Ca 0.05 2.50 -0.09 0.00 0.02 0.00 0.00 61.00 63.49 2qi7 s PRO 44 Cb -0.09 -3.04 0.00 0.00 0.02 0.00 0.00 34.50 31.39 2qi7 s PRO 44 CO 0.00 -0.55 0.17 0.21 -0.33 0.00 0.00 177.00 176.50 2qi7 s LYS 45 N -0.75 0.65 -0.02 5.54 2.20 -0.61 -4.88 119.74 121.87 2qi7 s LYS 45 Ca 0.60 -0.63 0.08 0.00 -0.36 0.00 0.00 55.97 55.66 2qi7 s LYS 45 Cb -0.46 0.27 -0.02 0.00 -1.51 0.00 0.00 37.83 36.11 2qi7 s LYS 45 CO 0.49 -0.18 -0.25 -1.64 -0.36 0.00 0.00 175.35 173.41 2qi7 s MET 46 N -2.45 2.01 0.09 4.03 -1.94 -1.26 -0.59 119.30 119.19 2qi7 s MET 46 Ca -0.06 -0.90 0.03 0.00 -1.71 0.00 0.00 55.69 53.05 2qi7 s MET 46 Cb -0.02 -1.95 -0.04 0.00 2.01 0.00 0.00 34.83 34.84 2qi7 s MET 46 CO -0.03 0.53 -0.08 0.96 -0.01 0.00 0.00 175.02 176.39 2qi7 s ILE 47 N -0.59 0.77 0.01 2.53 -4.36 -0.79 -4.98 121.20 113.80 2qi7 s ILE 47 Ca 0.10 -1.63 0.06 0.00 -0.26 0.00 0.00 60.65 58.91 2qi7 s ILE 47 Cb -0.10 -1.32 -0.03 0.00 1.25 0.00 0.00 42.46 42.26 2qi7 s ILE 47 CO -0.01 -0.64 -0.16 -0.83 0.24 0.00 0.00 174.94 173.55 2qi7 s GLY 48 N -2.49 1.58 0.00 6.27 0.00 -1.26 -0.95 107.32 110.47 2qi7 s GLY 48 Ca 0.05 -1.11 0.00 0.00 0.00 0.00 0.00 44.72 43.65 2qi7 s GLY 48 CO -0.02 -0.97 0.00 0.61 0.00 0.00 0.00 173.10 172.72 2qi7 n GLY 49 N 1.75 6.04 0.20 0.20 0.00 0.22 -4.99 105.19 108.62 2qi7 n GLY 49 Ca -0.16 -1.61 -0.00 0.00 0.00 0.00 0.00 46.02 44.25 2qi7 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qi7 h ILE 50 N 0.00 1.28 -0.28 -0.61 2.10 -2.02 -3.10 117.51 114.88 2qi7 h ILE 50 Ca 0.00 -1.33 0.00 0.00 1.08 0.00 0.00 64.86 64.61 2qi7 h ILE 50 Cb 0.00 1.59 0.00 0.00 -1.09 0.00 0.00 36.82 37.32 2qi7 h ILE 50 CO 0.00 0.40 0.00 0.61 -1.08 0.00 0.00 178.15 178.08 2qi7 n GLY 51 N -0.38 1.31 0.00 8.18 0.00 -1.26 -5.07 105.19 107.97 2qi7 n GLY 51 Ca -0.01 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.34 2qi7 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi7 n GLY 52 N 1.41 0.60 3.70 -0.02 0.00 -1.17 -5.09 105.19 104.62 2qi7 n GLY 52 Ca 0.18 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 2qi7 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi7 s PHE 53 N -0.53 3.07 0.21 1.61 0.40 -1.26 -0.61 117.98 120.87 2qi7 s PHE 53 Ca 0.00 0.05 0.05 0.00 -0.60 0.00 0.00 56.93 56.43 2qi7 s PHE 53 Cb 0.00 -1.62 -0.05 0.00 0.51 0.00 0.00 43.02 41.86 2qi7 s PHE 53 CO 0.00 0.48 -0.07 0.96 0.70 0.00 0.00 175.22 177.29 2qi7 s ILE 54 N -1.20 1.30 -0.09 0.64 -4.36 -0.13 -4.98 121.20 112.38 2qi7 s ILE 54 Ca 0.23 -2.09 -0.14 0.00 -0.26 0.00 0.00 60.65 58.39 2qi7 s ILE 54 Cb -0.12 -2.14 -0.05 0.00 1.25 0.00 0.00 42.46 41.40 2qi7 s ILE 54 CO 0.14 -0.51 0.35 -0.54 0.24 0.00 0.00 174.94 174.62 2qi7 s LYS 55 N -3.76 4.06 0.25 0.37 1.02 -1.26 -1.88 119.74 118.53 2qi7 s LYS 55 Ca 0.24 0.24 0.03 0.00 0.02 0.00 0.00 55.97 56.50 2qi7 s LYS 55 Cb 0.03 -3.33 -0.05 0.00 -0.52 0.00 0.00 37.83 33.96 2qi7 s LYS 55 CO 0.06 0.44 0.02 0.14 -0.92 0.00 0.00 175.35 175.10 2qi7 s VAL 56 N -0.21 0.97 -0.20 3.17 -7.23 0.25 -4.45 120.40 112.70 2qi7 s VAL 56 Ca 0.20 -2.02 -0.07 0.00 -1.81 0.00 0.00 61.98 58.29 2qi7 s VAL 56 Cb -0.15 -2.45 -0.03 0.00 0.56 0.00 0.00 36.38 34.31 2qi7 s VAL 56 CO 0.08 -0.23 0.05 -0.13 -0.31 0.00 0.00 175.10 174.56 2qi7 s ARG 57 N -3.90 3.83 -0.33 4.82 0.52 -0.10 -1.58 118.95 122.23 2qi7 s ARG 57 Ca 0.31 -0.42 -0.14 0.00 -0.52 0.00 0.00 55.73 54.96 2qi7 s ARG 57 Cb 0.06 -3.19 -0.02 0.00 0.52 0.00 0.00 34.95 32.33 2qi7 s ARG 57 CO 0.10 0.14 0.33 -1.14 0.02 0.00 0.00 175.30 174.75 2qi7 s GLN 58 N 0.72 3.66 -0.17 3.54 0.74 0.75 -0.86 119.66 128.03 2qi7 s GLN 58 Ca 0.02 -0.37 -0.04 0.00 0.05 0.00 0.00 55.36 55.03 2qi7 s GLN 58 Cb -0.14 -3.77 -0.02 0.00 1.10 0.00 0.00 33.01 30.18 2qi7 s GLN 58 CO 0.02 -0.44 -0.03 0.71 -0.55 0.00 0.00 175.29 175.00 2qi7 s TYR 59 N 1.97 3.02 0.12 1.67 1.51 -0.32 -1.66 117.35 123.65 2qi7 s TYR 59 Ca 0.11 -0.41 0.02 0.00 -1.01 0.00 0.00 57.07 55.78 2qi7 s TYR 59 Cb -0.16 -2.01 -0.04 0.00 -0.11 0.00 0.00 41.96 39.64 2qi7 s TYR 59 CO 0.11 -0.15 0.23 -0.51 -1.11 0.00 0.00 175.55 174.13 2qi7 s ASP 60 N 0.66 6.23 -1.30 2.29 1.01 -1.26 -0.58 116.67 123.72 2qi7 s ASP 60 Ca -0.02 0.17 -0.04 0.00 0.71 0.00 0.00 52.55 53.37 2qi7 s ASP 60 Cb -0.14 -1.86 0.01 0.00 1.01 0.00 0.00 42.92 41.94 2qi7 s ASP 60 CO 0.02 0.10 0.98 0.00 0.21 0.00 0.00 175.17 176.48 2qi7 n GLN 61 N -0.19 -6.46 -3.59 8.23 1.13 -1.12 -4.91 117.38 110.47 2qi7 n GLN 61 Ca -0.07 0.77 -0.37 0.00 -1.94 0.00 0.00 57.00 55.39 2qi7 n GLN 61 Cb 0.53 -5.68 -0.09 0.00 0.11 0.00 0.00 30.24 25.10 2qi7 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi7 s ILE 62 N -3.41 5.31 0.12 5.09 -1.09 0.13 -4.71 121.20 122.65 2qi7 s ILE 62 Ca 0.21 0.30 -0.31 0.00 -2.23 0.00 0.00 60.65 58.62 2qi7 s ILE 62 Cb -0.10 -3.56 -0.08 0.00 -1.58 0.00 0.00 42.46 37.15 2qi7 s ILE 62 CO 0.76 0.30 1.32 -2.84 -1.23 0.00 0.00 174.94 173.25 2qi7 s PRO 63 N 1.26 4.37 -0.03 2.79 0.02 -1.26 -1.75 135.00 140.39 2qi7 s PRO 63 Ca 0.10 1.99 0.01 0.00 0.02 0.00 0.00 61.00 63.12 2qi7 s PRO 63 Cb -0.14 -3.26 0.02 0.00 0.02 0.00 0.00 34.50 31.14 2qi7 s PRO 63 CO 0.06 -0.34 -0.03 0.42 -0.33 0.00 0.00 177.00 176.78 2qi7 s ILE 64 N 0.83 0.39 -0.31 2.83 1.01 -0.30 -4.51 121.20 121.14 2qi7 s ILE 64 Ca 0.61 -0.07 -0.13 0.00 0.00 0.00 0.00 60.65 61.07 2qi7 s ILE 64 Cb -0.35 -0.43 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2qi7 s ILE 64 CO 0.32 0.18 0.24 -0.70 0.00 0.00 0.00 174.94 174.98 2qi7 s GLU 65 N 0.79 3.71 -0.37 2.79 2.12 -0.63 -0.41 118.70 126.70 2qi7 s GLU 65 Ca -0.09 -0.45 -0.06 0.00 0.36 0.00 0.00 54.97 54.72 2qi7 s GLU 65 Cb -0.13 -3.74 0.06 0.00 0.26 0.00 0.00 34.13 30.59 2qi7 s GLU 65 CO -0.00 -0.34 0.16 0.42 -0.54 0.00 0.00 175.26 174.95 2qi7 s ILE 66 N 1.79 3.74 -1.46 -3.70 1.01 0.12 -1.04 121.20 121.66 2qi7 s ILE 66 Ca 0.08 -1.40 -0.10 0.00 0.00 0.00 0.00 60.65 59.22 2qi7 s ILE 66 Cb -0.17 -3.25 0.05 0.00 0.01 0.00 0.00 42.46 39.10 2qi7 s ILE 66 CO 0.11 -0.36 0.94 0.00 0.00 0.00 0.00 174.94 175.63 2qi7 n GLY 68 N -1.72 1.36 3.63 0.00 0.00 -1.26 -5.01 105.19 102.19 2qi7 n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 2qi7 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi7 s HIS 69 N -3.09 3.23 0.03 1.61 4.02 -0.09 -5.07 115.29 115.93 2qi7 s HIS 69 Ca 0.00 0.05 -0.26 0.00 1.02 0.00 0.00 55.06 55.87 2qi7 s HIS 69 Cb 0.00 -2.05 -0.05 0.00 -1.02 0.00 0.00 32.58 29.46 2qi7 s HIS 69 CO 0.00 0.16 0.82 0.15 1.02 0.00 0.00 174.74 176.89 2qi7 s LYS 70 N 0.29 4.53 0.13 1.40 1.02 -1.26 0.13 119.74 125.98 2qi7 s LYS 70 Ca 0.03 1.15 0.07 0.00 0.02 0.00 0.00 55.97 57.24 2qi7 s LYS 70 Cb -0.12 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.75 2qi7 s LYS 70 CO 0.00 0.18 -0.16 0.00 -0.92 0.00 0.00 175.35 174.45 2qi7 s ALA 71 N 0.28 1.70 -0.15 5.17 0.00 0.45 -4.66 121.76 124.56 2qi7 s ALA 71 Ca 0.42 -1.35 -0.04 0.00 0.00 0.00 0.00 51.96 50.99 2qi7 s ALA 71 Cb -0.20 -0.14 0.05 0.00 0.00 0.00 0.00 23.12 22.83 2qi7 s ALA 71 CO 0.24 0.18 0.07 0.42 0.00 0.00 0.00 175.76 176.67 2qi7 s ILE 72 N -1.96 0.01 0.00 0.00 1.01 -1.26 -1.15 121.20 117.85 2qi7 s ILE 72 Ca 0.11 -0.09 0.00 0.00 0.00 0.00 0.00 60.65 60.66 2qi7 s ILE 72 Cb -0.06 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.86 2qi7 s ILE 72 CO 0.04 -0.16 0.00 0.61 0.00 0.00 0.00 174.94 175.43 2qi7 n GLY 73 N 5.25 1.81 3.72 6.18 0.00 -0.72 -4.77 105.19 116.66 2qi7 n GLY 73 Ca -0.07 -0.74 -0.41 0.00 0.00 0.00 0.00 46.02 44.81 2qi7 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi7 s THR 74 N -2.55 4.68 -0.11 2.61 2.01 -1.26 -0.69 115.64 120.33 2qi7 s THR 74 Ca 0.00 2.00 0.01 0.00 0.31 0.00 0.00 61.69 64.00 2qi7 s THR 74 Cb 0.00 -4.29 0.02 0.00 0.01 0.00 0.00 72.50 68.24 2qi7 s THR 74 CO 0.00 0.26 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.37 2qi7 s VAL 75 N 0.39 1.38 -0.09 3.82 1.01 0.25 -4.48 120.40 122.68 2qi7 s VAL 75 Ca 0.47 -0.55 -0.11 0.00 0.00 0.00 0.00 61.98 61.79 2qi7 s VAL 75 Cb -0.22 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2qi7 s VAL 75 CO 0.28 0.42 0.27 -0.76 0.00 0.00 0.00 175.10 175.31 2qi7 s LEU 76 N 1.23 4.38 -0.15 3.92 1.43 -0.20 -1.17 118.68 128.12 2qi7 s LEU 76 Ca -0.02 0.64 0.02 0.00 -1.03 0.00 0.00 54.13 53.74 2qi7 s LEU 76 Cb -0.14 -2.32 0.01 0.00 0.03 0.00 0.00 46.19 43.77 2qi7 s LEU 76 CO -0.05 0.30 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 2qi7 s VAL 77 N -0.64 2.10 -0.66 -1.59 1.01 -0.04 -0.07 120.40 120.51 2qi7 s VAL 77 Ca 0.18 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.20 2qi7 s VAL 77 Cb -0.14 -1.85 0.00 0.00 0.00 0.00 0.00 36.38 34.40 2qi7 s VAL 77 CO 0.07 0.55 0.00 0.61 0.00 0.00 0.00 175.10 176.32 2qi7 n GLY 78 N 4.18 -1.16 2.35 4.51 0.00 -0.38 -0.92 105.19 113.77 2qi7 n GLY 78 Ca -0.20 -0.83 -0.24 0.00 0.00 0.00 0.00 46.02 44.75 2qi7 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi7 n PRO 79 N 0.00 2.52 -2.51 1.61 -0.04 -1.26 -3.83 135.00 131.49 2qi7 n PRO 79 Ca 0.00 -1.53 -0.38 0.00 -0.04 0.00 0.00 63.50 61.55 2qi7 n PRO 79 Cb 0.00 -2.41 -0.04 0.00 -0.04 0.00 0.00 33.50 31.01 2qi7 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi7 s THR 80 N 2.37 3.62 0.51 0.52 -1.32 -1.26 -4.97 115.64 115.12 2qi7 s THR 80 Ca 0.54 1.38 0.24 0.00 -1.21 0.00 0.00 61.69 62.64 2qi7 s THR 80 Cb 0.17 -3.78 0.29 0.00 -1.51 0.00 0.00 72.50 67.68 2qi7 s THR 80 CO -0.03 0.14 2.15 1.55 -2.21 0.00 0.00 174.62 176.21 2qi7 h PRO 81 N 2.98 0.00 -3.05 7.08 0.13 -1.97 -3.44 132.00 133.73 2qi7 h PRO 81 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2qi7 h PRO 81 Cb 1.21 0.00 -0.18 0.00 0.13 0.00 0.00 31.00 32.17 2qi7 h PRO 81 CO 0.64 0.06 -0.18 0.54 -0.23 0.00 0.00 178.00 178.83 2qi7 s VAL 82 N -4.60 0.06 0.13 1.56 0.11 -1.26 -5.08 120.40 111.32 2qi7 s VAL 82 Ca -0.04 -0.51 -0.32 0.00 -2.93 0.00 0.00 61.98 58.19 2qi7 s VAL 82 Cb 0.15 -0.85 -0.11 0.00 -1.53 0.00 0.00 36.38 34.04 2qi7 s VAL 82 CO 0.60 -0.28 1.81 0.59 -3.33 0.00 0.00 175.10 174.50 2qi7 n ASN 83 N 0.77 3.99 -4.09 3.54 3.02 -1.26 -4.73 115.26 116.51 2qi7 n ASN 83 Ca -0.19 1.00 -0.24 0.00 -0.03 0.00 0.00 54.58 55.12 2qi7 n ASN 83 Cb 0.58 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.05 2qi7 n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2qi7 s ILE 84 N 2.43 1.19 -0.33 2.41 -4.36 -0.15 -0.92 121.20 121.47 2qi7 s ILE 84 Ca 0.81 -0.59 -0.14 0.00 -0.26 0.00 0.00 60.65 60.47 2qi7 s ILE 84 Cb -0.50 -1.03 -0.02 0.00 1.25 0.00 0.00 42.46 42.16 2qi7 s ILE 84 CO 0.37 0.35 0.31 -0.63 0.24 0.00 0.00 174.94 175.58 2qi7 s ILE 85 N 0.05 5.22 0.61 8.37 -1.09 0.71 -1.63 121.20 133.45 2qi7 s ILE 85 Ca -0.03 0.02 0.04 0.00 -2.23 0.00 0.00 60.65 58.45 2qi7 s ILE 85 Cb -0.10 -3.75 0.11 0.00 -1.58 0.00 0.00 42.46 37.15 2qi7 s ILE 85 CO 0.01 -0.01 0.85 0.61 -1.23 0.00 0.00 174.94 175.17 2qi7 n GLY 86 N 4.99 1.24 0.29 6.18 0.00 -1.22 -1.28 105.19 115.40 2qi7 n GLY 86 Ca -0.11 -2.11 0.10 0.00 0.00 0.00 0.00 46.02 43.90 2qi7 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi7 h ARG 87 N 0.00 0.09 -0.71 1.61 3.08 -0.57 -1.10 114.38 116.78 2qi7 h ARG 87 Ca -0.28 -0.01 0.10 0.00 0.07 0.00 0.00 59.98 59.86 2qi7 h ARG 87 Cb 1.15 -0.02 -0.05 0.00 0.08 0.00 0.00 29.97 31.13 2qi7 h ARG 87 CO 0.34 0.06 0.47 -2.95 -1.07 0.00 0.00 179.97 176.83 2qi7 h ASN 88 N 0.10 0.53 0.00 7.04 -1.07 -1.73 -1.56 115.58 118.90 2qi7 h ASN 88 Ca 0.08 0.01 -0.33 0.00 0.07 0.00 0.00 56.30 56.13 2qi7 h ASN 88 Cb 0.20 -0.10 -0.06 0.00 -2.07 0.00 0.00 38.32 36.29 2qi7 h ASN 88 CO -0.01 0.32 -2.35 0.18 0.07 0.00 0.00 177.43 175.64 2qi7 n LEU 89 N -4.49 0.00 -0.36 6.14 4.77 -0.80 -4.12 117.00 118.13 2qi7 n LEU 89 Ca 0.12 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.12 2qi7 n LEU 89 Cb 0.35 0.45 0.17 0.00 -2.33 0.00 0.00 43.42 42.05 2qi7 n LEU 89 CO 0.33 0.45 1.26 -0.07 -1.33 0.00 0.00 177.39 178.03 2qi7 h LEU 90 N 0.00 1.02 -0.97 2.23 3.38 -0.97 -1.67 115.31 118.31 2qi7 h LEU 90 Ca -0.50 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 2qi7 h LEU 90 Cb 2.13 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 42.64 2qi7 h LEU 90 CO 0.03 0.65 0.13 0.71 0.09 0.00 0.00 178.44 180.04 2qi7 h THR 91 N 1.16 1.23 -0.56 0.22 1.35 -1.49 -1.27 112.91 113.55 2qi7 h THR 91 Ca 0.42 -0.86 -0.05 0.00 -0.55 0.00 0.00 66.41 65.38 2qi7 h THR 91 Cb 0.16 0.67 -0.03 0.00 -1.73 0.00 0.00 68.15 67.22 2qi7 h THR 91 CO -0.17 0.32 0.14 1.56 -0.25 0.00 0.00 175.52 177.12 2qi7 h GLN 92 N 0.84 0.86 -0.16 4.72 4.20 -1.47 -2.54 115.11 121.55 2qi7 h GLN 92 Ca 0.18 -0.18 0.00 0.00 0.06 0.00 0.00 58.65 58.71 2qi7 h GLN 92 Cb 0.32 -0.13 0.00 0.00 0.30 0.00 0.00 27.48 27.97 2qi7 h GLN 92 CO 0.00 0.77 0.00 0.44 -0.67 0.00 0.00 178.83 179.37 2qi7 n ILE 93 N -4.27 0.20 -1.53 2.54 -5.35 -0.97 -4.92 119.36 105.07 2qi7 n ILE 93 Ca 0.04 -0.31 0.00 0.00 -0.27 0.00 0.00 62.75 62.21 2qi7 n ILE 93 Cb 0.23 0.28 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 2qi7 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi7 n GLY 94 N 1.08 0.38 3.71 3.28 0.00 -0.96 -5.01 105.19 107.67 2qi7 n GLY 94 Ca 0.15 -0.98 -0.42 0.00 0.00 0.00 0.00 46.02 44.77 2qi7 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi7 s THR 96 N 0.89 1.16 -0.07 0.00 -4.23 -1.26 -4.66 115.64 107.47 2qi7 s THR 96 Ca 0.52 -2.05 -0.14 0.00 -1.18 0.00 0.00 61.69 58.85 2qi7 s THR 96 Cb -0.22 -1.83 -0.05 0.00 1.34 0.00 0.00 72.50 71.74 2qi7 s THR 96 CO 0.28 -0.74 0.35 -0.76 -0.54 0.00 0.00 174.62 173.21 2qi7 s LEU 97 N -3.14 4.38 -0.01 4.79 1.43 -1.26 -5.10 118.68 119.77 2qi7 s LEU 97 Ca 0.16 0.76 0.01 0.00 -1.03 0.00 0.00 54.13 54.03 2qi7 s LEU 97 Cb 0.02 -2.47 0.01 0.00 0.03 0.00 0.00 46.19 43.79 2qi7 s LEU 97 CO 0.00 0.25 -0.03 0.20 0.23 0.00 0.00 176.35 177.00 2qi7 s ASN 98 N -0.50 0.49 0.00 2.29 0.01 -1.26 -5.29 114.94 110.68 2qi7 s ASN 98 Ca 0.21 -0.06 0.00 0.00 -0.71 0.00 0.00 52.86 52.29 2qi7 s ASN 98 Cb -0.15 -0.13 0.00 0.00 0.41 0.00 0.00 41.25 41.38 2qi7 s ASN 98 CO 0.09 0.00 0.00 2.22 -1.51 0.00 0.00 177.10 177.90