#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 3.21 -0.23 -0.52 0.74 -1.26 -5.10 119.66 116.50 2qi7 s GLN 2 Ca 0.00 -0.74 -0.01 0.00 0.05 0.00 0.00 55.36 54.65 2qi7 s GLN 2 Cb 0.00 -2.51 0.02 0.00 1.10 0.00 0.00 33.01 31.62 2qi7 s GLN 2 CO 0.00 0.24 -0.08 0.42 -0.55 0.00 0.00 175.29 175.32 2qi7 s ILE 3 N 0.26 2.81 0.78 -2.34 1.01 -1.26 -5.11 121.20 117.33 2qi7 s ILE 3 Ca -0.11 -0.94 -0.11 0.00 0.00 0.00 0.00 60.65 59.49 2qi7 s ILE 3 Cb -0.16 -2.37 0.06 0.00 0.01 0.00 0.00 42.46 40.00 2qi7 s ILE 3 CO 0.06 0.28 1.14 0.42 0.00 0.00 0.00 174.94 176.85 2qi7 s THR 4 N 1.34 2.33 -0.19 2.92 -4.23 -1.26 -5.00 115.64 111.55 2qi7 s THR 4 Ca 0.02 0.05 0.15 0.00 -1.18 0.00 0.00 61.69 60.73 2qi7 s THR 4 Cb -0.16 -3.09 0.43 0.00 1.34 0.00 0.00 72.50 71.01 2qi7 s THR 4 CO -0.06 -0.12 1.31 0.18 -0.54 0.00 0.00 174.62 175.39 2qi7 n LEU 5 N -3.20 3.23 -0.06 4.79 4.77 -1.26 -4.49 117.00 120.77 2qi7 n LEU 5 Ca 0.08 -3.30 0.05 0.00 -0.03 0.00 0.00 56.01 52.80 2qi7 n LEU 5 Cb 0.60 -0.52 0.41 0.00 -2.33 0.00 0.00 43.42 41.58 2qi7 n LEU 5 CO 0.56 0.89 1.18 -0.50 -1.33 0.00 0.00 177.39 178.20 2qi7 h TRP 6 N 0.90 0.58 -2.45 -1.77 4.06 -2.06 -3.43 115.95 111.78 2qi7 h TRP 6 Ca 0.04 0.01 -0.52 0.00 2.06 0.00 0.00 58.89 60.48 2qi7 h TRP 6 Cb 1.27 -0.20 -0.14 0.00 -1.00 0.00 0.00 29.16 29.10 2qi7 h TRP 6 CO 0.45 0.34 -0.60 -1.59 -3.56 0.00 0.00 178.44 173.49 2qi7 s LYS 7 N -5.54 1.76 0.28 0.49 -2.85 -1.26 -5.11 119.74 107.51 2qi7 s LYS 7 Ca -0.09 -1.99 -0.30 0.00 -1.00 0.00 0.00 55.97 52.59 2qi7 s LYS 7 Cb 0.18 -1.11 -0.12 0.00 -2.06 0.00 0.00 37.83 34.72 2qi7 s LYS 7 CO 0.74 -0.15 1.59 0.54 0.10 0.00 0.00 175.35 178.18 2qi7 n ARG 8 N -0.78 2.65 -1.25 1.78 1.74 -1.26 -4.85 116.66 114.69 2qi7 n ARG 8 Ca -0.03 0.95 -0.36 0.00 -0.77 0.00 0.00 57.85 57.63 2qi7 n ARG 8 Cb 0.67 -2.72 -0.02 0.00 -1.02 0.00 0.00 32.46 29.36 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 2.33 2.63 -2.93 5.56 -0.04 -1.26 -4.93 135.00 136.36 2qi7 n PRO 9 Ca 0.10 -2.05 -0.40 0.00 -0.04 0.00 0.00 63.50 61.11 2qi7 n PRO 9 Cb 0.36 -2.87 -0.05 0.00 -0.04 0.00 0.00 33.50 30.90 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 0.89 4.47 0.12 1.53 1.43 -1.26 -1.21 118.68 124.65 2qi7 s LEU 10 Ca 0.54 1.53 0.01 0.00 -1.03 0.00 0.00 54.13 55.18 2qi7 s LEU 10 Cb 0.14 -3.31 -0.04 0.00 0.03 0.00 0.00 46.19 43.01 2qi7 s LEU 10 CO -0.03 0.02 -0.01 0.68 0.23 0.00 0.00 176.35 177.24 2qi7 s VAL 11 N -0.14 0.48 -0.11 -1.59 -7.23 0.26 -4.91 120.40 107.16 2qi7 s VAL 11 Ca 0.40 -1.92 -0.27 0.00 -1.81 0.00 0.00 61.98 58.38 2qi7 s VAL 11 Cb -0.21 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.85 2qi7 s VAL 11 CO 0.25 -0.69 0.90 -0.89 -0.31 0.00 0.00 175.10 174.35 2qi7 s THR 12 N -3.77 4.87 0.27 5.32 2.01 -1.26 -0.66 115.64 122.41 2qi7 s THR 12 Ca 0.17 1.81 0.11 0.00 0.31 0.00 0.00 61.69 64.10 2qi7 s THR 12 Cb 0.06 -4.21 -0.05 0.00 0.01 0.00 0.00 72.50 68.31 2qi7 s THR 12 CO -0.02 0.07 -0.13 0.27 -0.69 0.00 0.00 174.62 174.12 2qi7 s ILE 13 N 1.76 2.82 -0.05 1.82 -4.36 0.60 -2.65 121.20 121.14 2qi7 s ILE 13 Ca 0.44 -2.21 0.02 0.00 -0.26 0.00 0.00 60.65 58.64 2qi7 s ILE 13 Cb -0.18 -2.48 0.01 0.00 1.25 0.00 0.00 42.46 41.06 2qi7 s ILE 13 CO 0.17 -0.37 -0.10 -0.60 0.24 0.00 0.00 174.94 174.28 2qi7 s ARG 14 N -3.51 1.33 -0.27 0.37 3.52 0.20 -1.39 118.95 119.19 2qi7 s ARG 14 Ca 0.30 -0.31 -0.03 0.00 -0.13 0.00 0.00 55.73 55.55 2qi7 s ARG 14 Cb -0.06 -1.16 0.09 0.00 -1.56 0.00 0.00 34.95 32.26 2qi7 s ARG 14 CO 0.16 0.02 0.11 -1.50 -0.81 0.00 0.00 175.30 173.28 2qi7 s ILE 15 N 0.62 0.19 0.00 4.11 2.07 -0.39 -1.23 121.20 126.57 2qi7 s ILE 15 Ca -0.11 -0.78 0.00 0.00 -1.41 0.00 0.00 60.65 58.34 2qi7 s ILE 15 Cb -0.14 -1.07 0.00 0.00 0.13 0.00 0.00 42.46 41.38 2qi7 s ILE 15 CO 0.02 -0.59 0.00 0.61 -1.91 0.00 0.00 174.94 173.07 2qi7 n GLY 16 N 5.15 3.33 1.55 1.50 0.00 -1.26 -2.35 105.19 113.10 2qi7 n GLY 16 Ca -0.06 -0.18 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 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 0.00 2.99 3.08 -0.02 0.00 -1.26 -4.79 105.19 105.18 2qi7 n GLY 17 Ca 0.00 -0.60 -0.31 0.00 0.00 0.00 0.00 46.02 45.11 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 -1.97 2.62 -0.12 1.61 -1.52 -0.99 -5.11 119.66 114.18 2qi7 s GLN 18 Ca 0.33 -0.69 -0.06 0.00 -1.95 0.00 0.00 55.36 52.99 2qi7 s GLN 18 Cb 0.26 -2.29 -0.04 0.00 -0.22 0.00 0.00 33.01 30.72 2qi7 s GLN 18 CO 0.08 -0.19 0.10 -0.51 -0.25 0.00 0.00 175.29 174.52 2qi7 s LEU 19 N 1.30 4.16 0.05 2.90 1.02 -1.26 -1.27 118.68 125.58 2qi7 s LEU 19 Ca 0.03 0.36 -0.02 0.00 0.02 0.00 0.00 54.13 54.51 2qi7 s LEU 19 Cb -0.13 -2.01 -0.03 0.00 0.02 0.00 0.00 46.19 44.04 2qi7 s LEU 19 CO -0.10 0.37 0.01 -0.54 0.02 0.00 0.00 176.35 176.11 2qi7 s LYS 20 N -0.80 0.59 -0.15 1.70 -0.14 -0.49 -4.99 119.74 115.46 2qi7 s LYS 20 Ca 0.13 -1.06 -0.12 0.00 -1.36 0.00 0.00 55.97 53.57 2qi7 s LYS 20 Cb -0.12 0.21 -0.05 0.00 -1.68 0.00 0.00 37.83 36.20 2qi7 s LYS 20 CO 0.03 -0.12 0.23 -1.21 -0.76 0.00 0.00 175.35 173.52 2qi7 s GLU 21 N -3.43 4.05 0.02 1.68 0.41 -1.26 -0.29 118.70 119.88 2qi7 s GLU 21 Ca 0.02 -0.00 -0.01 0.00 -0.41 0.00 0.00 54.97 54.57 2qi7 s GLU 21 Cb 0.04 -3.36 -0.02 0.00 -1.78 0.00 0.00 34.13 29.02 2qi7 s GLU 21 CO -0.08 0.40 -0.01 0.00 -0.49 0.00 0.00 175.26 175.08 2qi7 s ALA 22 N -0.00 0.06 0.02 5.21 0.00 0.17 -4.36 121.76 122.86 2qi7 s ALA 22 Ca 0.15 -0.49 -0.29 0.00 0.00 0.00 0.00 51.96 51.33 2qi7 s ALA 22 Cb -0.13 0.13 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 2qi7 s ALA 22 CO 0.03 -0.15 0.93 -0.51 0.00 0.00 0.00 175.76 176.06 2qi7 s LEU 23 N -1.33 4.40 -0.55 0.00 1.43 0.11 -0.57 118.68 122.17 2qi7 s LEU 23 Ca -0.15 1.63 -0.28 0.00 -1.03 0.00 0.00 54.13 54.30 2qi7 s LEU 23 Cb -0.09 -3.49 0.02 0.00 0.03 0.00 0.00 46.19 42.66 2qi7 s LEU 23 CO -0.01 -0.17 1.27 -0.76 0.23 0.00 0.00 176.35 176.91 2qi7 s LEU 24 N 0.65 3.47 -0.34 1.79 1.43 -0.35 -0.15 118.68 125.18 2qi7 s LEU 24 Ca 0.48 0.28 0.03 0.00 -1.03 0.00 0.00 54.13 53.89 2qi7 s LEU 24 Cb -0.21 -3.22 0.10 0.00 0.03 0.00 0.00 46.19 42.88 2qi7 s LEU 24 CO 0.27 -1.51 0.06 -0.62 0.23 0.00 0.00 176.35 174.77 2qi7 s ASP 25 N 3.40 4.66 0.40 2.29 3.68 -0.32 -4.81 116.67 125.97 2qi7 s ASP 25 Ca 0.48 -2.08 0.29 0.00 2.13 0.00 0.00 52.55 53.37 2qi7 s ASP 25 Cb -0.09 -1.51 1.23 0.00 -1.45 0.00 0.00 42.92 41.10 2qi7 s ASP 25 CO 0.27 -0.39 1.85 0.71 0.13 0.00 0.00 175.17 177.75 2qi7 h THR 26 N 6.59 0.00 -0.00 1.71 1.35 -1.94 -2.56 112.91 118.07 2qi7 h THR 26 Ca -0.05 -0.32 0.00 0.00 -0.55 0.00 0.00 66.41 65.49 2qi7 h THR 26 Cb 1.02 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.59 2qi7 h THR 26 CO 0.51 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.30 2qi7 n GLY 27 N -0.12 -1.07 3.45 5.82 0.00 -1.26 -4.80 105.19 107.21 2qi7 n GLY 27 Ca 0.01 -0.23 -0.38 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.55 3.26 0.21 4.61 0.00 -0.96 -4.98 121.76 121.36 2qi7 s ALA 28 Ca 0.27 -1.32 -0.09 0.00 0.00 0.00 0.00 51.96 50.82 2qi7 s ALA 28 Cb 0.20 -2.32 0.17 0.00 0.00 0.00 0.00 23.12 21.16 2qi7 s ALA 28 CO 0.48 -0.80 1.82 -0.44 0.00 0.00 0.00 175.76 176.82 2qi7 h ASP 29 N 8.33 1.02 -2.20 0.00 3.32 -1.87 0.82 116.42 125.84 2qi7 h ASP 29 Ca -0.33 -0.12 -0.59 0.00 0.02 0.00 0.00 57.03 56.01 2qi7 h ASP 29 Cb 1.15 -0.26 -0.14 0.00 0.22 0.00 0.00 39.33 40.30 2qi7 h ASP 29 CO 0.60 0.85 -0.71 -1.81 -1.72 0.00 0.00 179.24 176.45 2qi7 s ASP 30 N -6.17 3.52 -0.13 6.45 1.01 -1.26 -2.71 116.67 117.37 2qi7 s ASP 30 Ca -0.13 -1.13 -0.20 0.00 0.71 0.00 0.00 52.55 51.80 2qi7 s ASP 30 Cb 0.16 -0.30 -0.04 0.00 1.01 0.00 0.00 42.92 43.75 2qi7 s ASP 30 CO 0.82 -0.14 0.57 -0.89 0.21 0.00 0.00 175.17 175.74 2qi7 s THR 31 N -2.64 5.11 -0.14 -1.27 2.01 -1.26 -3.67 115.64 113.77 2qi7 s THR 31 Ca 0.31 1.12 0.00 0.00 0.31 0.00 0.00 61.69 63.43 2qi7 s THR 31 Cb 0.00 -3.90 0.02 0.00 0.01 0.00 0.00 72.50 68.63 2qi7 s THR 31 CO 0.15 0.24 -0.13 -0.69 -0.69 0.00 0.00 174.62 173.51 2qi7 s VAL 32 N 1.06 1.47 0.10 3.82 1.01 -0.15 -0.30 120.40 127.41 2qi7 s VAL 32 Ca 0.29 -0.57 0.07 0.00 0.00 0.00 0.00 61.98 61.77 2qi7 s VAL 32 Cb -0.16 -1.40 -0.04 0.00 0.00 0.00 0.00 36.38 34.78 2qi7 s VAL 32 CO 0.12 0.44 -0.13 -0.76 0.00 0.00 0.00 175.10 174.77 2qi7 s LEU 33 N 1.53 2.90 0.87 3.92 1.43 0.10 -0.16 118.68 129.27 2qi7 s LEU 33 Ca 0.05 -0.43 -0.13 0.00 -1.03 0.00 0.00 54.13 52.59 2qi7 s LEU 33 Cb -0.13 -1.72 0.06 0.00 0.03 0.00 0.00 46.19 44.44 2qi7 s LEU 33 CO -0.10 0.19 0.83 -1.84 0.23 0.00 0.00 176.35 175.65 2qi7 n GLU 34 N 0.85 -0.11 -1.63 1.70 0.28 -1.26 -2.01 120.64 118.46 2qi7 n GLU 34 Ca -0.14 0.03 -0.52 0.00 -0.16 0.00 0.00 57.16 56.37 2qi7 n GLU 34 Cb 0.52 -2.14 -0.06 0.00 1.43 0.00 0.00 31.44 31.19 2qi7 n GLU 34 CO 0.00 0.00 0.00 -1.91 -0.16 0.00 0.00 177.13 175.06 2qi7 n GLU 35 N -2.61 1.39 -3.63 3.44 4.07 -1.12 -4.54 120.64 117.64 2qi7 n GLU 35 Ca 0.10 0.50 -0.15 0.00 -0.06 0.00 0.00 57.16 57.56 2qi7 n GLU 35 Cb 0.52 -2.19 -0.07 0.00 -0.06 0.00 0.00 31.44 29.63 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 1.43 0.81 -1.23 5.31 0.23 -1.26 -5.02 119.30 119.57 2qi7 s MET 36 Ca 0.87 0.56 -0.11 0.00 -1.03 0.00 0.00 55.69 55.98 2qi7 s MET 36 Cb -0.91 0.39 0.18 0.00 -1.53 0.00 0.00 34.83 32.96 2qi7 s MET 36 CO 0.49 -0.17 1.60 -1.71 -2.03 0.00 0.00 175.02 173.21 2qi7 n ASN 37 N 2.04 5.26 -4.78 -1.18 4.05 -1.26 -5.00 115.26 114.38 2qi7 n ASN 37 Ca -0.16 -3.06 -0.36 0.00 0.45 0.00 0.00 54.58 51.44 2qi7 n ASN 37 Cb 0.56 -1.50 -0.03 0.00 1.23 0.00 0.00 39.78 40.04 2qi7 n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qi7 s LEU 38 N 0.45 4.05 0.61 1.20 1.43 -1.26 -5.04 118.68 120.13 2qi7 s LEU 38 Ca 0.40 2.11 -0.15 0.00 -1.03 0.00 0.00 54.13 55.46 2qi7 s LEU 38 Cb 0.02 -4.26 -0.03 0.00 0.03 0.00 0.00 46.19 41.95 2qi7 s LEU 38 CO 0.00 -0.69 1.06 -2.16 0.23 0.00 0.00 176.35 174.80 2qi7 s PRO 39 N -2.68 3.23 0.00 1.29 0.04 -1.26 -4.98 135.00 130.64 2qi7 s PRO 39 Ca 0.61 1.19 0.00 0.00 0.04 0.00 0.00 61.00 62.85 2qi7 s PRO 39 Cb -0.23 -2.02 0.00 0.00 0.04 0.00 0.00 34.50 32.29 2qi7 s PRO 39 CO 0.29 -0.89 0.00 0.41 0.04 0.00 0.00 177.00 176.85 2qi7 n GLY 40 N -1.04 -2.74 3.80 0.56 0.00 -1.26 -5.01 105.19 99.49 2qi7 n GLY 40 Ca 0.09 -2.14 -0.33 0.00 0.00 0.00 0.00 46.02 43.63 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 -0.68 3.50 0.22 1.61 0.00 -1.26 -5.07 119.74 118.07 2qi7 s LYS 41 Ca 0.00 1.32 -0.12 0.00 0.00 0.00 0.00 55.97 57.17 2qi7 s LYS 41 Cb 0.00 -2.05 -0.00 0.00 0.00 0.00 0.00 37.83 35.78 2qi7 s LYS 41 CO 0.00 -0.67 0.43 1.67 0.00 0.00 0.00 175.35 176.78 2qi7 s TRP 42 N -2.18 0.34 -0.00 1.78 1.48 -1.26 -4.53 118.94 114.57 2qi7 s TRP 42 Ca 0.66 -0.70 0.03 0.00 -1.06 0.00 0.00 56.10 55.04 2qi7 s TRP 42 Cb -0.17 0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.26 2qi7 s TRP 42 CO 0.29 -0.91 -0.10 0.15 -4.06 0.00 0.00 176.95 172.32 2qi7 s LYS 43 N -4.00 0.78 0.52 3.25 -0.14 -0.66 -4.91 119.74 114.58 2qi7 s LYS 43 Ca 0.20 -0.39 -0.19 0.00 -1.36 0.00 0.00 55.97 54.24 2qi7 s LYS 43 Cb 0.00 -0.75 -0.07 0.00 -1.68 0.00 0.00 37.83 35.34 2qi7 s LYS 43 CO 0.06 0.20 1.05 -1.25 -0.76 0.00 0.00 175.35 174.65 2qi7 s PRO 44 N -0.34 3.62 0.09 -1.68 0.04 -1.26 -0.03 135.00 135.44 2qi7 s PRO 44 Ca 0.03 1.32 -0.22 0.00 0.04 0.00 0.00 61.00 62.18 2qi7 s PRO 44 Cb -0.04 -2.07 0.05 0.00 0.04 0.00 0.00 34.50 32.48 2qi7 s PRO 44 CO -0.00 -0.58 0.52 0.21 0.04 0.00 0.00 177.00 177.19 2qi7 s LYS 45 N -3.51 1.10 -0.06 4.56 2.20 -0.69 -4.88 119.74 118.47 2qi7 s LYS 45 Ca 0.66 -0.37 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 2qi7 s LYS 45 Cb -0.17 0.50 -0.02 0.00 -1.51 0.00 0.00 37.83 36.63 2qi7 s LYS 45 CO 0.26 -0.43 -0.17 -1.64 -0.36 0.00 0.00 175.35 173.01 2qi7 s MET 46 N -2.98 2.56 0.05 4.03 -1.94 -1.26 -0.94 119.30 118.82 2qi7 s MET 46 Ca -0.02 -0.75 0.05 0.00 -1.71 0.00 0.00 55.69 53.25 2qi7 s MET 46 Cb -0.00 -2.33 -0.02 0.00 2.01 0.00 0.00 34.83 34.48 2qi7 s MET 46 CO -0.06 0.54 -0.14 0.96 -0.01 0.00 0.00 175.02 176.30 2qi7 s ILE 47 N -0.52 1.13 0.05 2.53 -4.36 -0.79 -4.98 121.20 114.26 2qi7 s ILE 47 Ca 0.07 -1.10 0.09 0.00 -0.26 0.00 0.00 60.65 59.44 2qi7 s ILE 47 Cb -0.12 -1.04 -0.03 0.00 1.25 0.00 0.00 42.46 42.52 2qi7 s ILE 47 CO 0.01 -0.06 -0.25 -0.83 0.24 0.00 0.00 174.94 174.05 2qi7 s GLY 48 N -1.33 1.33 0.00 6.27 0.00 -1.26 -1.19 107.32 111.14 2qi7 s GLY 48 Ca 0.01 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.51 2qi7 s GLY 48 CO 0.02 -1.12 0.00 0.61 0.00 0.00 0.00 173.10 172.61 2qi7 n GLY 49 N 1.78 4.01 3.70 0.20 0.00 -0.30 -4.99 105.19 109.59 2qi7 n GLY 49 Ca -0.17 -0.85 -0.42 0.00 0.00 0.00 0.00 46.02 44.58 2qi7 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qi7 s ILE 50 N -1.13 2.67 0.00 -0.61 1.01 -1.26 -2.17 121.20 119.70 2qi7 s ILE 50 Ca 0.00 0.28 0.00 0.00 0.00 0.00 0.00 60.65 60.93 2qi7 s ILE 50 Cb 0.00 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.29 2qi7 s ILE 50 CO 0.00 0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.56 2qi7 n GLY 51 N 4.02 3.25 0.00 6.18 0.00 -1.26 -4.95 105.19 112.42 2qi7 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -1.14 0.56 3.67 -0.02 0.00 -0.92 -5.10 105.19 102.23 2qi7 n GLY 52 Ca 0.00 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.93 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 -2.23 2.86 0.18 1.61 0.40 -1.26 -1.15 117.98 118.37 2qi7 s PHE 53 Ca 0.00 -0.13 0.08 0.00 -0.60 0.00 0.00 56.93 56.28 2qi7 s PHE 53 Cb 0.00 -1.39 -0.04 0.00 0.51 0.00 0.00 43.02 42.10 2qi7 s PHE 53 CO 0.00 0.51 -0.16 0.96 0.70 0.00 0.00 175.22 177.23 2qi7 s ILE 54 N -1.69 1.72 -0.09 0.64 -4.36 -0.33 -4.98 121.20 112.11 2qi7 s ILE 54 Ca 0.27 -2.01 -0.15 0.00 -0.26 0.00 0.00 60.65 58.50 2qi7 s ILE 54 Cb -0.09 -1.88 -0.05 0.00 1.25 0.00 0.00 42.46 41.68 2qi7 s ILE 54 CO 0.18 -0.45 0.38 -0.75 0.24 0.00 0.00 174.94 174.55 2qi7 s LYS 55 N -3.13 4.12 0.24 0.37 2.20 -1.26 -1.88 119.74 120.40 2qi7 s LYS 55 Ca 0.18 0.30 0.04 0.00 -0.36 0.00 0.00 55.97 56.12 2qi7 s LYS 55 Cb -0.04 -3.34 -0.05 0.00 -1.51 0.00 0.00 37.83 32.89 2qi7 s LYS 55 CO 0.06 0.40 -0.00 0.14 -0.36 0.00 0.00 175.35 175.59 2qi7 s VAL 56 N -0.11 1.09 -0.19 4.02 -7.23 -0.11 -4.32 120.40 113.55 2qi7 s VAL 56 Ca 0.22 -2.04 -0.03 0.00 -1.81 0.00 0.00 61.98 58.32 2qi7 s VAL 56 Cb -0.15 -2.38 -0.02 0.00 0.56 0.00 0.00 36.38 34.39 2qi7 s VAL 56 CO 0.09 -0.30 -0.05 -0.13 -0.31 0.00 0.00 175.10 174.40 2qi7 s ARG 57 N -3.85 3.47 -0.32 4.82 0.52 0.10 -1.71 118.95 121.98 2qi7 s ARG 57 Ca 0.29 -0.60 -0.19 0.00 -0.52 0.00 0.00 55.73 54.71 2qi7 s ARG 57 Cb 0.06 -2.92 -0.01 0.00 0.52 0.00 0.00 34.95 32.60 2qi7 s ARG 57 CO 0.09 0.01 0.54 -1.14 0.02 0.00 0.00 175.30 174.82 2qi7 s GLN 58 N 0.95 3.77 -0.09 3.54 0.74 0.96 -0.47 119.66 129.05 2qi7 s GLN 58 Ca -0.00 0.03 -0.01 0.00 0.05 0.00 0.00 55.36 55.42 2qi7 s GLN 58 Cb -0.15 -3.76 -0.03 0.00 1.10 0.00 0.00 33.01 30.17 2qi7 s GLN 58 CO 0.01 -0.58 -0.03 0.71 -0.55 0.00 0.00 175.29 174.84 2qi7 s TYR 59 N 2.44 3.04 0.14 1.67 1.51 -0.24 -1.65 117.35 124.26 2qi7 s TYR 59 Ca 0.21 0.03 0.05 0.00 -1.01 0.00 0.00 57.07 56.36 2qi7 s TYR 59 Cb -0.15 -1.79 -0.04 0.00 -0.11 0.00 0.00 41.96 39.87 2qi7 s TYR 59 CO 0.12 0.32 0.06 -0.51 -1.11 0.00 0.00 175.55 174.44 2qi7 s ASP 60 N -0.62 5.21 -1.36 2.29 1.01 -1.26 -0.81 116.67 121.13 2qi7 s ASP 60 Ca 0.10 -0.20 -0.04 0.00 0.71 0.00 0.00 52.55 53.12 2qi7 s ASP 60 Cb -0.12 -1.28 0.02 0.00 1.01 0.00 0.00 42.92 42.56 2qi7 s ASP 60 CO 0.02 0.11 0.81 0.00 0.21 0.00 0.00 175.17 176.32 2qi7 n GLN 61 N -0.01 -5.34 -3.36 8.23 1.13 -1.06 -4.91 117.38 112.06 2qi7 n GLN 61 Ca -0.09 0.64 -0.39 0.00 -1.94 0.00 0.00 57.00 55.22 2qi7 n GLN 61 Cb 0.54 -5.34 -0.08 0.00 0.11 0.00 0.00 30.24 25.47 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 -3.54 5.17 0.15 5.09 -1.09 -0.26 -4.73 121.20 121.99 2qi7 s ILE 62 Ca 0.19 0.71 -0.30 0.00 -2.23 0.00 0.00 60.65 59.02 2qi7 s ILE 62 Cb -0.09 -3.74 -0.07 0.00 -1.58 0.00 0.00 42.46 36.97 2qi7 s ILE 62 CO 0.81 0.20 1.14 -2.16 -1.23 0.00 0.00 174.94 173.70 2qi7 s PRO 63 N 1.67 4.53 -0.01 2.79 0.04 -1.26 -1.97 135.00 140.79 2qi7 s PRO 63 Ca 0.18 1.76 0.02 0.00 0.04 0.00 0.00 61.00 63.00 2qi7 s PRO 63 Cb -0.15 -3.29 -0.00 0.00 0.04 0.00 0.00 34.50 31.10 2qi7 s PRO 63 CO 0.09 -0.04 -0.06 0.42 0.04 0.00 0.00 177.00 177.45 2qi7 s ILE 64 N 0.10 0.51 -0.22 0.56 -1.09 -0.42 -4.59 121.20 116.04 2qi7 s ILE 64 Ca 0.52 -0.25 -0.05 0.00 -2.23 0.00 0.00 60.65 58.64 2qi7 s ILE 64 Cb -0.30 -0.44 -0.02 0.00 -1.58 0.00 0.00 42.46 40.11 2qi7 s ILE 64 CO 0.34 0.16 0.01 -1.61 -1.23 0.00 0.00 174.94 172.61 2qi7 s GLU 65 N 0.02 3.60 -0.27 2.79 8.01 -0.36 -1.11 118.70 131.37 2qi7 s GLU 65 Ca 0.00 -0.52 0.03 0.00 0.01 0.00 0.00 54.97 54.49 2qi7 s GLU 65 Cb -0.04 -3.13 0.06 0.00 -4.31 0.00 0.00 34.13 26.71 2qi7 s GLU 65 CO -0.00 -0.07 -0.09 0.42 0.01 0.00 0.00 175.26 175.54 2qi7 s ILE 66 N 1.22 2.12 -1.61 -1.63 1.01 0.24 -0.63 121.20 121.92 2qi7 s ILE 66 Ca 0.03 -1.68 -0.16 0.00 0.00 0.00 0.00 60.65 58.84 2qi7 s ILE 66 Cb -0.15 -2.28 0.12 0.00 0.01 0.00 0.00 42.46 40.16 2qi7 s ILE 66 CO 0.01 -0.11 0.89 0.00 0.00 0.00 0.00 174.94 175.74 2qi7 n GLY 68 N -1.57 1.72 3.77 0.00 0.00 -1.26 -5.02 105.19 102.82 2qi7 n GLY 68 Ca 0.05 0.00 -0.38 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 -3.44 3.65 0.13 1.61 4.02 -0.05 -5.06 115.29 116.15 2qi7 s HIS 69 Ca 0.00 1.09 -0.27 0.00 1.02 0.00 0.00 55.06 56.90 2qi7 s HIS 69 Cb 0.00 -2.53 -0.07 0.00 -1.02 0.00 0.00 32.58 28.96 2qi7 s HIS 69 CO 0.00 0.37 0.85 0.15 1.02 0.00 0.00 174.74 177.12 2qi7 s LYS 70 N -0.18 4.63 0.05 1.40 1.02 -1.26 -0.59 119.74 124.81 2qi7 s LYS 70 Ca 0.28 1.26 -0.00 0.00 0.02 0.00 0.00 55.97 57.53 2qi7 s LYS 70 Cb -0.17 -3.32 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2qi7 s LYS 70 CO 0.15 0.39 -0.04 0.00 -0.92 0.00 0.00 175.35 174.93 2qi7 s ALA 71 N -0.55 0.49 -0.21 5.17 0.00 -0.27 -4.68 121.76 121.72 2qi7 s ALA 71 Ca 0.40 -1.10 -0.12 0.00 0.00 0.00 0.00 51.96 51.14 2qi7 s ALA 71 Cb -0.23 0.23 0.06 0.00 0.00 0.00 0.00 23.12 23.19 2qi7 s ALA 71 CO 0.27 -0.31 0.51 -1.50 0.00 0.00 0.00 175.76 174.73 2qi7 s ILE 72 N -3.37 -0.02 -1.20 0.00 2.07 -1.26 -1.31 121.20 116.12 2qi7 s ILE 72 Ca 0.03 0.06 0.00 0.00 -1.41 0.00 0.00 60.65 59.33 2qi7 s ILE 72 Cb 0.04 -0.74 0.00 0.00 0.13 0.00 0.00 42.46 41.89 2qi7 s ILE 72 CO -0.07 0.02 0.00 0.61 -1.91 0.00 0.00 174.94 173.59 2qi7 n GLY 73 N 4.18 -0.65 3.72 1.50 0.00 -0.83 -4.86 105.19 108.24 2qi7 n GLY 73 Ca -0.22 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 -3.00 4.51 -0.05 2.61 2.01 -1.26 -1.10 115.64 119.36 2qi7 s THR 74 Ca 0.00 1.94 0.04 0.00 0.31 0.00 0.00 61.69 63.98 2qi7 s THR 74 Cb 0.00 -4.24 -0.00 0.00 0.01 0.00 0.00 72.50 68.27 2qi7 s THR 74 CO 0.00 0.23 -0.18 0.68 -0.69 0.00 0.00 174.62 174.66 2qi7 s VAL 75 N 0.48 1.49 -0.21 3.82 -7.23 0.01 -4.43 120.40 114.33 2qi7 s VAL 75 Ca 0.51 -0.74 -0.11 0.00 -1.81 0.00 0.00 61.98 59.83 2qi7 s VAL 75 Cb -0.24 -1.29 -0.05 0.00 0.56 0.00 0.00 36.38 35.37 2qi7 s VAL 75 CO 0.30 0.43 0.18 -0.76 -0.31 0.00 0.00 175.10 174.93 2qi7 s LEU 76 N 0.10 4.17 -0.13 1.32 1.43 0.59 -1.08 118.68 125.08 2qi7 s LEU 76 Ca -0.06 0.23 0.02 0.00 -1.03 0.00 0.00 54.13 53.29 2qi7 s LEU 76 Cb -0.13 -2.16 0.00 0.00 0.03 0.00 0.00 46.19 43.94 2qi7 s LEU 76 CO 0.03 0.11 -0.19 -0.69 0.23 0.00 0.00 176.35 175.83 2qi7 s VAL 77 N 0.72 2.37 -0.02 -1.59 1.01 0.38 0.01 120.40 123.27 2qi7 s VAL 77 Ca 0.09 -0.89 -0.08 0.00 0.00 0.00 0.00 61.98 61.11 2qi7 s VAL 77 Cb -0.12 -1.96 0.02 0.00 0.00 0.00 0.00 36.38 34.32 2qi7 s VAL 77 CO 0.02 0.54 0.34 0.61 0.00 0.00 0.00 175.10 176.61 2qi7 n GLY 78 N 3.87 0.35 2.29 4.51 0.00 -0.85 0.02 105.19 115.38 2qi7 n GLY 78 Ca -0.19 -0.86 -0.30 0.00 0.00 0.00 0.00 46.02 44.67 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 -0.25 3.04 -2.89 1.61 -0.04 -1.26 -2.78 135.00 132.43 2qi7 n PRO 79 Ca 0.02 -1.79 -0.37 0.00 -0.04 0.00 0.00 63.50 61.31 2qi7 n PRO 79 Cb 0.15 -2.55 -0.06 0.00 -0.04 0.00 0.00 33.50 31.00 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 2.09 4.31 -0.21 0.52 -1.32 -1.26 -4.98 115.64 114.79 2qi7 s THR 80 Ca 0.64 1.70 0.29 0.00 -1.21 0.00 0.00 61.69 63.11 2qi7 s THR 80 Cb 0.20 -4.03 0.33 0.00 -1.51 0.00 0.00 72.50 67.48 2qi7 s THR 80 CO -0.04 0.26 1.84 1.55 -2.21 0.00 0.00 174.62 176.02 2qi7 h PRO 81 N 3.53 0.00 -3.72 7.08 0.13 -1.99 -3.43 132.00 133.60 2qi7 h PRO 81 Ca -0.47 0.00 -0.19 0.00 -0.87 0.00 0.00 66.00 64.47 2qi7 h PRO 81 Cb 1.20 0.00 -0.25 0.00 0.13 0.00 0.00 31.00 32.08 2qi7 h PRO 81 CO 0.66 0.00 -0.66 0.08 -0.23 0.00 0.00 178.00 177.85 2qi7 s VAL 82 N -3.46 0.04 0.09 1.56 1.01 -1.26 -5.08 120.40 113.30 2qi7 s VAL 82 Ca 0.03 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 61.35 2qi7 s VAL 82 Cb 0.09 -0.17 -0.06 0.00 0.00 0.00 0.00 36.38 36.24 2qi7 s VAL 82 CO 0.50 -0.20 1.18 0.20 0.00 0.00 0.00 175.10 176.78 2qi7 s ASN 83 N -0.60 7.11 -0.17 3.32 0.01 -1.26 -4.64 114.94 118.71 2qi7 s ASN 83 Ca -0.07 2.04 0.00 0.00 -0.71 0.00 0.00 52.86 54.12 2qi7 s ASN 83 Cb -0.04 -2.58 0.03 0.00 0.41 0.00 0.00 41.25 39.07 2qi7 s ASN 83 CO -0.00 -0.42 -0.11 -0.63 -1.51 0.00 0.00 177.10 174.43 2qi7 s ILE 84 N 0.79 1.53 -0.42 0.60 1.01 0.77 -0.71 121.20 124.76 2qi7 s ILE 84 Ca 0.57 -0.80 -0.20 0.00 0.00 0.00 0.00 60.65 60.22 2qi7 s ILE 84 Cb -0.29 -1.55 0.02 0.00 0.01 0.00 0.00 42.46 40.65 2qi7 s ILE 84 CO 0.31 0.28 0.62 -0.63 0.00 0.00 0.00 174.94 175.51 2qi7 s ILE 85 N 1.47 4.86 0.69 2.92 -1.09 0.79 -0.98 121.20 129.86 2qi7 s ILE 85 Ca 0.01 0.14 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2qi7 s ILE 85 Cb -0.15 -4.17 0.12 0.00 -1.58 0.00 0.00 42.46 36.69 2qi7 s ILE 85 CO -0.09 -0.53 0.95 -0.83 -1.23 0.00 0.00 174.94 173.20 2qi7 s GLY 86 N 1.95 1.74 0.44 6.18 0.00 -1.24 -1.18 107.32 115.22 2qi7 s GLY 86 Ca 0.22 -1.92 0.13 0.00 0.00 0.00 0.00 44.72 43.15 2qi7 s GLY 86 CO 0.18 -1.36 2.02 3.21 0.00 0.00 0.00 173.10 177.15 2qi7 h ARG 87 N -0.35 0.37 -0.80 2.90 3.08 -0.81 -1.14 114.38 117.64 2qi7 h ARG 87 Ca -0.33 -0.02 0.18 0.00 0.07 0.00 0.00 59.98 59.88 2qi7 h ARG 87 Cb 1.27 -0.08 -0.05 0.00 0.08 0.00 0.00 29.97 31.19 2qi7 h ARG 87 CO 0.39 0.25 0.54 -2.95 -1.07 0.00 0.00 179.97 177.13 2qi7 h ASN 88 N 0.38 0.30 0.00 7.04 -1.07 -1.77 -2.52 115.58 117.94 2qi7 h ASN 88 Ca 0.21 0.02 -0.29 0.00 0.07 0.00 0.00 56.30 56.32 2qi7 h ASN 88 Cb 0.36 -0.03 -0.06 0.00 -2.07 0.00 0.00 38.32 36.52 2qi7 h ASN 88 CO -0.05 0.14 -2.17 0.18 0.07 0.00 0.00 177.43 175.59 2qi7 n LEU 89 N -4.45 0.00 -0.31 6.14 4.77 -0.71 -4.38 117.00 118.06 2qi7 n LEU 89 Ca 0.16 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.14 2qi7 n LEU 89 Cb 0.65 0.39 0.13 0.00 -2.33 0.00 0.00 43.42 42.26 2qi7 n LEU 89 CO 0.33 0.39 1.21 -0.07 -1.33 0.00 0.00 177.39 177.92 2qi7 h LEU 90 N 0.00 0.89 -1.19 2.23 3.38 -0.86 -1.49 115.31 118.26 2qi7 h LEU 90 Ca -0.43 0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.54 2qi7 h LEU 90 Cb 1.97 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.50 2qi7 h LEU 90 CO 0.02 0.59 0.47 0.71 0.09 0.00 0.00 178.44 180.32 2qi7 h THR 91 N 1.03 1.21 -0.15 0.22 1.35 -1.69 -1.24 112.91 113.64 2qi7 h THR 91 Ca 0.36 -0.43 -0.07 0.00 -0.55 0.00 0.00 66.41 65.72 2qi7 h THR 91 Cb 0.09 0.12 -0.01 0.00 -1.73 0.00 0.00 68.15 66.62 2qi7 h THR 91 CO -0.14 0.21 -0.20 1.56 -0.25 0.00 0.00 175.52 176.70 2qi7 h GLN 92 N 1.04 0.26 -0.20 4.72 4.20 -1.48 -2.21 115.11 121.44 2qi7 h GLN 92 Ca 0.27 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2qi7 h GLN 92 Cb -0.06 -0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.69 2qi7 h GLN 92 CO -0.05 0.45 0.00 0.44 -0.67 0.00 0.00 178.83 179.00 2qi7 n ILE 93 N -4.21 0.24 -1.33 2.54 -5.35 -1.06 -4.94 119.36 105.26 2qi7 n ILE 93 Ca -0.01 -0.46 0.00 0.00 -0.27 0.00 0.00 62.75 62.01 2qi7 n ILE 93 Cb 0.32 0.67 0.00 0.00 -1.74 0.00 0.00 39.64 38.90 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 1.26 0.84 3.70 3.28 0.00 -0.83 -5.03 105.19 108.42 2qi7 n GLY 94 Ca 0.17 -0.63 -0.39 0.00 0.00 0.00 0.00 46.02 45.17 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 1.04 1.63 -0.10 0.00 -4.23 -1.26 -4.61 115.64 108.12 2qi7 s THR 96 Ca 0.34 -2.17 -0.09 0.00 -1.18 0.00 0.00 61.69 58.59 2qi7 s THR 96 Cb -0.17 -2.13 -0.04 0.00 1.34 0.00 0.00 72.50 71.50 2qi7 s THR 96 CO 0.15 -0.53 0.19 -0.76 -0.54 0.00 0.00 174.62 173.13 2qi7 s LEU 97 N -3.33 4.41 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.60 2qi7 s LEU 97 Ca 0.24 0.56 -0.01 0.00 -1.03 0.00 0.00 54.13 53.90 2qi7 s LEU 97 Cb 0.01 -2.17 0.02 0.00 0.03 0.00 0.00 46.19 44.08 2qi7 s LEU 97 CO 0.07 0.39 0.04 0.20 0.23 0.00 0.00 176.35 177.28 2qi7 s ASN 98 N -1.03 0.02 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.79 2qi7 s ASN 98 Ca 0.17 0.06 0.00 0.00 -1.57 0.00 0.00 52.86 51.52 2qi7 s ASN 98 Cb -0.13 -0.00 0.00 0.00 -0.02 0.00 0.00 41.25 41.10 2qi7 s ASN 98 CO 0.06 -0.08 0.00 2.22 -2.57 0.00 0.00 177.10 176.73