#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi0 s GLN 2 N 0.00 2.94 -0.15 0.54 0.74 -1.26 -5.11 119.66 117.36 2qi0 s GLN 2 Ca 0.00 -0.80 0.00 0.00 0.05 0.00 0.00 55.36 54.62 2qi0 s GLN 2 Cb 0.00 -2.38 0.02 0.00 1.10 0.00 0.00 33.01 31.75 2qi0 s GLN 2 CO 0.00 0.31 -0.15 0.42 -0.55 0.00 0.00 175.29 175.32 2qi0 s ILE 3 N 0.05 1.61 0.71 -2.34 1.01 -1.26 -5.12 121.20 115.85 2qi0 s ILE 3 Ca -0.08 -0.66 -0.07 0.00 0.00 0.00 0.00 60.65 59.84 2qi0 s ILE 3 Cb -0.15 -1.50 0.06 0.00 0.01 0.00 0.00 42.46 40.88 2qi0 s ILE 3 CO 0.05 0.46 1.03 0.42 0.00 0.00 0.00 174.94 176.90 2qi0 s THR 4 N 1.45 2.34 -0.17 2.92 -4.23 -1.26 -5.02 115.64 111.66 2qi0 s THR 4 Ca 0.04 -0.21 0.16 0.00 -1.18 0.00 0.00 61.69 60.50 2qi0 s THR 4 Cb -0.13 -3.03 0.39 0.00 1.34 0.00 0.00 72.50 71.07 2qi0 s THR 4 CO -0.10 -0.04 1.26 0.18 -0.54 0.00 0.00 174.62 175.38 2qi0 n LEU 5 N -2.95 2.94 -0.36 4.79 4.77 -1.26 -4.57 117.00 120.36 2qi0 n LEU 5 Ca 0.08 -3.29 -0.03 0.00 -0.03 0.00 0.00 56.01 52.74 2qi0 n LEU 5 Cb 0.60 -0.49 0.10 0.00 -2.33 0.00 0.00 43.42 41.30 2qi0 n LEU 5 CO 0.53 0.88 1.24 -0.50 -1.33 0.00 0.00 177.39 178.21 2qi0 h TRP 6 N 0.67 1.26 -1.78 -1.77 4.06 -2.06 -3.43 115.95 112.89 2qi0 h TRP 6 Ca 0.02 0.00 -0.62 0.00 2.06 0.00 0.00 58.89 60.36 2qi0 h TRP 6 Cb 1.17 -0.41 -0.13 0.00 -1.00 0.00 0.00 29.16 28.78 2qi0 h TRP 6 CO 0.35 0.83 -0.61 -1.59 -3.56 0.00 0.00 178.44 173.86 2qi0 s LYS 7 N -5.99 1.92 0.14 0.49 -2.85 -1.26 -5.10 119.74 107.10 2qi0 s LYS 7 Ca -0.13 -2.08 -0.35 0.00 -1.00 0.00 0.00 55.97 52.41 2qi0 s LYS 7 Cb 0.17 -1.58 -0.15 0.00 -2.06 0.00 0.00 37.83 34.22 2qi0 s LYS 7 CO 0.82 -0.05 1.51 0.54 0.10 0.00 0.00 175.35 178.28 2qi0 n ARG 8 N -0.93 1.87 -2.12 1.78 1.74 -1.26 -4.85 116.66 112.89 2qi0 n ARG 8 Ca -0.05 0.68 -0.35 0.00 -0.77 0.00 0.00 57.85 57.36 2qi0 n ARG 8 Cb 0.67 -2.41 -0.04 0.00 -1.02 0.00 0.00 32.46 29.66 2qi0 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi0 n PRO 9 N 3.17 2.17 -3.59 5.56 -0.04 -1.26 -4.93 135.00 136.07 2qi0 n PRO 9 Ca 0.17 -2.67 -0.37 0.00 -0.04 0.00 0.00 63.50 60.59 2qi0 n PRO 9 Cb 0.26 -3.55 -0.06 0.00 -0.04 0.00 0.00 33.50 30.11 2qi0 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi0 s LEU 10 N 7.41 4.40 0.11 1.53 1.43 -1.26 -0.90 118.68 131.39 2qi0 s LEU 10 Ca 0.62 0.74 -0.02 0.00 -1.03 0.00 0.00 54.13 54.43 2qi0 s LEU 10 Cb 0.03 -2.42 -0.03 0.00 0.03 0.00 0.00 46.19 43.80 2qi0 s LEU 10 CO 0.11 0.28 0.07 0.68 0.23 0.00 0.00 176.35 177.72 2qi0 s VAL 11 N -0.66 0.13 -0.04 -1.59 -7.23 0.96 -4.91 120.40 107.06 2qi0 s VAL 11 Ca 0.20 -1.78 -0.29 0.00 -1.81 0.00 0.00 61.98 58.29 2qi0 s VAL 11 Cb -0.15 -1.86 -0.02 0.00 0.56 0.00 0.00 36.38 34.91 2qi0 s VAL 11 CO 0.09 -0.58 0.97 -0.89 -0.31 0.00 0.00 175.10 174.39 2qi0 s THR 12 N -4.00 4.85 0.30 5.32 2.01 -1.26 -0.34 115.64 122.52 2qi0 s THR 12 Ca 0.18 2.02 0.10 0.00 0.31 0.00 0.00 61.69 64.31 2qi0 s THR 12 Cb 0.07 -4.30 -0.05 0.00 0.01 0.00 0.00 72.50 68.23 2qi0 s THR 12 CO -0.02 0.12 -0.09 0.27 -0.69 0.00 0.00 174.62 174.21 2qi0 s ILE 13 N 1.31 2.71 -0.08 1.82 -4.36 0.77 -1.75 121.20 121.63 2qi0 s ILE 13 Ca 0.50 -2.16 0.02 0.00 -0.26 0.00 0.00 60.65 58.75 2qi0 s ILE 13 Cb -0.20 -2.59 0.01 0.00 1.25 0.00 0.00 42.46 40.93 2qi0 s ILE 13 CO 0.24 -0.32 -0.15 -0.60 0.24 0.00 0.00 174.94 174.36 2qi0 s ARG 14 N -3.61 2.01 -0.14 0.37 3.52 0.14 -0.61 118.95 120.63 2qi0 s ARG 14 Ca 0.32 -0.51 -0.04 0.00 -0.13 0.00 0.00 55.73 55.37 2qi0 s ARG 14 Cb -0.03 -1.63 0.05 0.00 -1.56 0.00 0.00 34.95 31.78 2qi0 s ARG 14 CO 0.17 0.04 0.06 -1.50 -0.81 0.00 0.00 175.30 173.26 2qi0 s ILE 15 N 0.67 0.12 0.00 4.11 2.07 -0.36 -0.95 121.20 126.85 2qi0 s ILE 15 Ca -0.14 -0.13 0.00 0.00 -1.41 0.00 0.00 60.65 58.97 2qi0 s ILE 15 Cb -0.16 -0.61 0.00 0.00 0.13 0.00 0.00 42.46 41.82 2qi0 s ILE 15 CO 0.04 -0.12 0.00 0.61 -1.91 0.00 0.00 174.94 173.56 2qi0 n GLY 16 N 5.21 3.44 0.68 1.50 0.00 -1.26 -1.87 105.19 112.89 2qi0 n GLY 16 Ca -0.07 -0.14 0.04 0.00 0.00 0.00 0.00 46.02 45.85 2qi0 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi0 n GLY 17 N 0.00 0.81 3.25 -0.02 0.00 -1.26 -4.78 105.19 103.20 2qi0 n GLY 17 Ca 0.00 -0.34 -0.37 0.00 0.00 0.00 0.00 46.02 45.30 2qi0 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi0 s GLN 18 N -1.62 2.60 0.15 1.61 -0.21 -0.78 -5.07 119.66 116.34 2qi0 s GLN 18 Ca 0.21 -1.19 -0.30 0.00 0.02 0.00 0.00 55.36 54.11 2qi0 s GLN 18 Cb 0.12 -3.40 -0.07 0.00 1.00 0.00 0.00 33.01 30.67 2qi0 s GLN 18 CO 0.12 -0.65 1.05 -0.51 -2.12 0.00 0.00 175.29 173.19 2qi0 s LEU 19 N 1.37 4.49 0.14 2.90 1.43 -1.26 -1.23 118.68 126.54 2qi0 s LEU 19 Ca -0.02 1.97 0.00 0.00 -1.03 0.00 0.00 54.13 55.05 2qi0 s LEU 19 Cb -0.19 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.39 2qi0 s LEU 19 CO 0.02 -0.17 0.02 -0.54 0.23 0.00 0.00 176.35 175.92 2qi0 s LYS 20 N -0.19 0.99 -0.18 1.70 1.02 0.22 -4.98 119.74 118.31 2qi0 s LYS 20 Ca 0.49 -1.47 -0.06 0.00 0.02 0.00 0.00 55.97 54.94 2qi0 s LYS 20 Cb -0.27 0.00 -0.04 0.00 -0.52 0.00 0.00 37.83 37.00 2qi0 s LYS 20 CO 0.33 -0.19 0.04 -2.00 -0.92 0.00 0.00 175.35 172.60 2qi0 s GLU 21 N -3.98 3.86 0.04 1.68 2.56 -1.26 -0.16 118.70 121.44 2qi0 s GLU 21 Ca 0.23 -0.41 -0.02 0.00 0.00 0.00 0.00 54.97 54.77 2qi0 s GLU 21 Cb 0.07 -3.15 -0.03 0.00 2.00 0.00 0.00 34.13 33.02 2qi0 s GLU 21 CO 0.02 0.21 0.01 0.00 -0.56 0.00 0.00 175.26 174.94 2qi0 s ALA 22 N 0.51 0.26 -0.22 6.30 0.00 0.54 -4.44 121.76 124.71 2qi0 s ALA 22 Ca 0.01 -0.89 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 2qi0 s ALA 22 Cb -0.13 0.25 -0.04 0.00 0.00 0.00 0.00 23.12 23.19 2qi0 s ALA 22 CO 0.01 -0.31 0.31 -1.17 0.00 0.00 0.00 175.76 174.60 2qi0 s LEU 23 N -2.39 4.14 -0.45 0.00 2.96 0.03 -0.03 118.68 122.94 2qi0 s LEU 23 Ca -0.01 0.36 -0.29 0.00 -0.22 0.00 0.00 54.13 53.97 2qi0 s LEU 23 Cb 0.01 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.37 2qi0 s LEU 23 CO -0.07 -0.02 1.30 -0.76 -1.32 0.00 0.00 176.35 175.48 2qi0 s LEU 24 N 1.22 3.59 -0.41 -0.68 1.43 -0.08 -0.43 118.68 123.32 2qi0 s LEU 24 Ca 0.15 0.64 0.03 0.00 -1.03 0.00 0.00 54.13 53.92 2qi0 s LEU 24 Cb -0.14 -3.52 0.12 0.00 0.03 0.00 0.00 46.19 42.67 2qi0 s LEU 24 CO 0.07 -1.38 0.16 -0.62 0.23 0.00 0.00 176.35 174.80 2qi0 s ASP 25 N 3.35 4.32 0.60 2.29 3.68 -0.18 -4.80 116.67 125.92 2qi0 s ASP 25 Ca 0.55 -2.43 0.39 0.00 2.13 0.00 0.00 52.55 53.19 2qi0 s ASP 25 Cb -0.11 -1.41 1.86 0.00 -1.45 0.00 0.00 42.92 41.81 2qi0 s ASP 25 CO 0.32 -0.32 2.16 0.71 0.13 0.00 0.00 175.17 178.17 2qi0 h THR 26 N 6.00 0.00 -0.01 1.71 1.35 -1.94 -2.22 112.91 117.81 2qi0 h THR 26 Ca -0.06 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.53 2qi0 h THR 26 Cb 0.96 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 2qi0 h THR 26 CO 0.56 0.00 -0.09 0.61 -0.25 0.00 0.00 175.52 176.35 2qi0 n GLY 27 N -0.50 -0.78 3.55 5.82 0.00 -1.26 -4.81 105.19 107.22 2qi0 n GLY 27 Ca -0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.35 2qi0 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi0 s ALA 28 N -2.34 3.35 0.27 4.61 0.00 -0.83 -4.97 121.76 121.85 2qi0 s ALA 28 Ca 0.32 -0.99 0.03 0.00 0.00 0.00 0.00 51.96 51.32 2qi0 s ALA 28 Cb 0.20 -2.14 0.37 0.00 0.00 0.00 0.00 23.12 21.55 2qi0 s ALA 28 CO 0.44 -0.28 1.68 -0.44 0.00 0.00 0.00 175.76 177.15 2qi0 h ASP 29 N 7.76 0.43 -2.18 0.00 3.32 -1.87 0.19 116.42 124.06 2qi0 h ASP 29 Ca -0.37 -0.17 -0.61 0.00 0.02 0.00 0.00 57.03 55.90 2qi0 h ASP 29 Cb 1.18 -0.12 -0.14 0.00 0.22 0.00 0.00 39.33 40.47 2qi0 h ASP 29 CO 0.61 0.76 -0.74 -1.81 -1.72 0.00 0.00 179.24 176.34 2qi0 s ASP 30 N -6.85 3.69 -0.21 6.45 1.01 -1.26 -2.90 116.67 116.60 2qi0 s ASP 30 Ca -0.06 -1.01 -0.15 0.00 0.71 0.00 0.00 52.55 52.03 2qi0 s ASP 30 Cb 0.13 -0.35 -0.04 0.00 1.01 0.00 0.00 42.92 43.67 2qi0 s ASP 30 CO 0.79 0.01 0.38 -0.89 0.21 0.00 0.00 175.17 175.67 2qi0 s THR 31 N -2.50 5.21 -0.12 -1.27 2.01 -1.26 -3.47 115.64 114.23 2qi0 s THR 31 Ca 0.30 0.66 0.00 0.00 0.31 0.00 0.00 61.69 62.96 2qi0 s THR 31 Cb -0.04 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.78 2qi0 s THR 31 CO 0.16 0.25 -0.12 -0.69 -0.69 0.00 0.00 174.62 173.52 2qi0 s VAL 32 N 1.38 1.33 0.05 3.82 1.01 -0.17 -0.72 120.40 127.10 2qi0 s VAL 32 Ca 0.18 -0.49 0.05 0.00 0.00 0.00 0.00 61.98 61.72 2qi0 s VAL 32 Cb -0.15 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.93 2qi0 s VAL 32 CO 0.08 0.42 -0.10 -0.76 0.00 0.00 0.00 175.10 174.73 2qi0 s LEU 33 N 1.44 3.02 0.80 3.92 1.43 0.15 0.19 118.68 129.63 2qi0 s LEU 33 Ca 0.02 -0.28 -0.13 0.00 -1.03 0.00 0.00 54.13 52.71 2qi0 s LEU 33 Cb -0.13 -1.77 0.08 0.00 0.03 0.00 0.00 46.19 44.39 2qi0 s LEU 33 CO -0.07 0.24 1.17 -0.70 0.23 0.00 0.00 176.35 177.22 2qi0 s GLU 34 N -1.71 1.78 -0.03 1.70 2.56 -1.26 -2.13 118.70 119.61 2qi0 s GLU 34 Ca 0.18 1.62 -0.39 0.00 0.00 0.00 0.00 54.97 56.38 2qi0 s GLU 34 Cb -0.11 -1.81 -0.18 0.00 2.00 0.00 0.00 34.13 34.03 2qi0 s GLU 34 CO 0.09 -2.07 1.28 -1.91 -0.56 0.00 0.00 175.26 172.09 2qi0 n GLU 35 N -3.32 0.58 -3.57 4.30 4.07 -1.15 -4.65 120.64 116.90 2qi0 n GLU 35 Ca 0.12 0.21 -0.16 0.00 -0.06 0.00 0.00 57.16 57.27 2qi0 n GLU 35 Cb 0.51 -1.78 -0.06 0.00 -0.06 0.00 0.00 31.44 30.04 2qi0 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi0 s MET 36 N 0.74 0.95 -1.25 5.31 0.23 -1.26 -5.03 119.30 118.98 2qi0 s MET 36 Ca 0.90 0.60 -0.10 0.00 -1.03 0.00 0.00 55.69 56.07 2qi0 s MET 36 Cb -1.14 0.45 0.18 0.00 -1.53 0.00 0.00 34.83 32.79 2qi0 s MET 36 CO 0.55 -0.22 1.76 -1.71 -2.03 0.00 0.00 175.02 173.37 2qi0 n ASN 37 N 1.74 5.21 -4.77 -1.18 4.05 -1.26 -4.99 115.26 114.06 2qi0 n ASN 37 Ca -0.17 -3.11 -0.39 0.00 0.45 0.00 0.00 54.58 51.37 2qi0 n ASN 37 Cb 0.56 -1.48 -0.02 0.00 1.23 0.00 0.00 39.78 40.08 2qi0 n ASN 37 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 2qi0 s LEU 38 N -0.01 4.22 0.71 1.20 1.43 -1.26 -5.03 118.68 119.94 2qi0 s LEU 38 Ca 0.39 2.46 -0.12 0.00 -1.03 0.00 0.00 54.13 55.84 2qi0 s LEU 38 Cb 0.07 -3.96 0.02 0.00 0.03 0.00 0.00 46.19 42.35 2qi0 s LEU 38 CO 0.01 -0.72 1.08 -2.16 0.23 0.00 0.00 176.35 174.79 2qi0 s PRO 39 N -2.23 2.70 0.00 1.29 0.04 -1.26 -4.98 135.00 130.56 2qi0 s PRO 39 Ca 0.56 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.73 2qi0 s PRO 39 Cb -0.34 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2qi0 s PRO 39 CO 0.43 -1.30 0.00 0.41 0.04 0.00 0.00 177.00 176.58 2qi0 n GLY 40 N -1.36 1.35 3.83 0.56 0.00 -1.26 -5.02 105.19 103.29 2qi0 n GLY 40 Ca 0.09 -2.17 -0.32 0.00 0.00 0.00 0.00 46.02 43.62 2qi0 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi0 s LYS 41 N -1.49 3.95 0.16 1.61 0.00 -1.26 -5.08 119.74 117.63 2qi0 s LYS 41 Ca 0.00 1.04 -0.10 0.00 0.00 0.00 0.00 55.97 56.91 2qi0 s LYS 41 Cb 0.00 -2.13 -0.01 0.00 0.00 0.00 0.00 37.83 35.69 2qi0 s LYS 41 CO 0.00 -0.28 0.30 1.67 0.00 0.00 0.00 175.35 177.04 2qi0 s TRP 42 N -2.47 0.35 -0.01 1.78 1.48 -1.26 -4.57 118.94 114.23 2qi0 s TRP 42 Ca 0.61 -0.71 0.07 0.00 -1.06 0.00 0.00 56.10 55.00 2qi0 s TRP 42 Cb -0.11 -0.02 -0.02 0.00 -1.16 0.00 0.00 33.47 32.17 2qi0 s TRP 42 CO 0.27 -0.73 -0.21 0.15 -4.06 0.00 0.00 176.95 172.37 2qi0 s LYS 43 N -3.96 1.68 0.48 3.25 -0.14 -0.57 -4.92 119.74 115.58 2qi0 s LYS 43 Ca 0.16 -0.77 -0.22 0.00 -1.36 0.00 0.00 55.97 53.78 2qi0 s LYS 43 Cb 0.03 -1.64 -0.07 0.00 -1.68 0.00 0.00 37.83 34.47 2qi0 s LYS 43 CO -0.01 0.45 1.14 -1.25 -0.76 0.00 0.00 175.35 174.93 2qi0 s PRO 44 N -0.55 3.65 0.13 -1.68 0.04 -1.26 -0.16 135.00 135.16 2qi0 s PRO 44 Ca 0.08 1.70 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 2qi0 s PRO 44 Cb -0.08 -2.27 0.04 0.00 0.04 0.00 0.00 34.50 32.22 2qi0 s PRO 44 CO -0.01 -0.63 0.42 0.21 0.04 0.00 0.00 177.00 177.04 2qi0 s LYS 45 N -2.89 1.09 -0.06 4.56 2.20 -0.46 -4.87 119.74 119.31 2qi0 s LYS 45 Ca 0.66 -0.69 0.02 0.00 -0.36 0.00 0.00 55.97 55.61 2qi0 s LYS 45 Cb -0.26 0.48 0.01 0.00 -1.51 0.00 0.00 37.83 36.55 2qi0 s LYS 45 CO 0.31 -0.43 -0.12 -1.64 -0.36 0.00 0.00 175.35 173.11 2qi0 s MET 46 N -3.80 1.66 0.04 4.03 -1.94 -1.26 -0.46 119.30 117.57 2qi0 s MET 46 Ca 0.03 -0.43 0.09 0.00 -1.71 0.00 0.00 55.69 53.67 2qi0 s MET 46 Cb 0.02 -1.38 -0.03 0.00 2.01 0.00 0.00 34.83 35.45 2qi0 s MET 46 CO -0.12 0.06 -0.26 0.96 -0.01 0.00 0.00 175.02 175.65 2qi0 s ILE 47 N 0.56 2.08 0.02 2.53 -4.36 -0.90 -4.97 121.20 116.17 2qi0 s ILE 47 Ca -0.13 -1.34 0.03 0.00 -0.26 0.00 0.00 60.65 58.95 2qi0 s ILE 47 Cb -0.15 -1.78 -0.04 0.00 1.25 0.00 0.00 42.46 41.75 2qi0 s ILE 47 CO 0.03 0.37 -0.05 -0.83 0.24 0.00 0.00 174.94 174.70 2qi0 s GLY 48 N -1.17 1.80 0.00 6.27 0.00 -1.26 -1.55 107.32 111.41 2qi0 s GLY 48 Ca 0.11 -1.04 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2qi0 s GLY 48 CO 0.02 -0.93 0.00 0.61 0.00 0.00 0.00 173.10 172.79 2qi0 n GLY 49 N 1.32 4.50 3.72 0.20 0.00 -0.07 -4.98 105.19 109.87 2qi0 n GLY 49 Ca -0.14 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 2qi0 n GLY 49 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qi0 s ILE 50 N 0.16 2.13 0.00 -0.61 1.01 -1.26 -1.87 121.20 120.76 2qi0 s ILE 50 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 60.65 60.70 2qi0 s ILE 50 Cb 0.00 -3.03 0.00 0.00 0.01 0.00 0.00 42.46 39.44 2qi0 s ILE 50 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 174.94 175.55 2qi0 n GLY 51 N 4.00 3.32 0.00 6.18 0.00 -1.26 -4.92 105.19 112.51 2qi0 n GLY 51 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2qi0 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi0 n GLY 52 N -2.00 0.25 3.69 -0.02 0.00 -0.78 -5.08 105.19 101.24 2qi0 n GLY 52 Ca 0.00 -2.00 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 2qi0 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi0 s PHE 53 N -0.21 2.98 0.16 1.61 0.40 -1.26 -0.89 117.98 120.76 2qi0 s PHE 53 Ca 0.00 -0.04 0.08 0.00 -0.60 0.00 0.00 56.93 56.37 2qi0 s PHE 53 Cb 0.00 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.97 2qi0 s PHE 53 CO 0.00 0.48 -0.18 0.96 0.70 0.00 0.00 175.22 177.18 2qi0 s ILE 54 N -1.35 1.75 0.03 0.64 -4.36 -0.60 -4.98 121.20 112.34 2qi0 s ILE 54 Ca 0.26 -1.88 -0.21 0.00 -0.26 0.00 0.00 60.65 58.56 2qi0 s ILE 54 Cb -0.11 -1.79 -0.06 0.00 1.25 0.00 0.00 42.46 41.74 2qi0 s ILE 54 CO 0.18 -0.32 0.64 -0.54 0.24 0.00 0.00 174.94 175.14 2qi0 s LYS 55 N -2.75 4.35 0.21 0.37 1.02 -1.26 -2.12 119.74 119.56 2qi0 s LYS 55 Ca 0.14 0.83 0.01 0.00 0.02 0.00 0.00 55.97 56.98 2qi0 s LYS 55 Cb -0.06 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.88 2qi0 s LYS 55 CO 0.06 0.41 0.05 0.14 -0.92 0.00 0.00 175.35 175.10 2qi0 s VAL 56 N -0.39 0.59 -0.23 3.17 -7.23 0.40 -4.40 120.40 112.29 2qi0 s VAL 56 Ca 0.32 -1.99 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2qi0 s VAL 56 Cb -0.19 -2.38 -0.01 0.00 0.56 0.00 0.00 36.38 34.37 2qi0 s VAL 56 CO 0.19 -0.23 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.60 2qi0 s ARG 57 N -3.98 3.33 -0.26 4.82 0.52 0.60 -1.36 118.95 122.61 2qi0 s ARG 57 Ca 0.31 -0.67 -0.23 0.00 -0.52 0.00 0.00 55.73 54.62 2qi0 s ARG 57 Cb 0.07 -3.08 -0.01 0.00 0.52 0.00 0.00 34.95 32.45 2qi0 s ARG 57 CO 0.09 -0.24 0.78 -1.14 0.02 0.00 0.00 175.30 174.80 2qi0 s GLN 58 N 1.48 4.10 -0.07 3.54 0.74 0.77 -0.79 119.66 129.44 2qi0 s GLN 58 Ca 0.05 0.76 0.01 0.00 0.05 0.00 0.00 55.36 56.23 2qi0 s GLN 58 Cb -0.15 -3.67 -0.03 0.00 1.10 0.00 0.00 33.01 30.26 2qi0 s GLN 58 CO -0.02 -0.54 -0.09 0.71 -0.55 0.00 0.00 175.29 174.79 2qi0 s TYR 59 N 2.81 2.86 0.10 1.67 1.51 0.09 -1.51 117.35 124.88 2qi0 s TYR 59 Ca 0.32 -0.09 0.03 0.00 -1.01 0.00 0.00 57.07 56.33 2qi0 s TYR 59 Cb -0.15 -1.71 -0.04 0.00 -0.11 0.00 0.00 41.96 39.96 2qi0 s TYR 59 CO 0.09 0.24 0.10 -0.51 -1.11 0.00 0.00 175.55 174.36 2qi0 s ASP 60 N -0.66 5.55 -1.22 2.29 1.01 -1.26 -0.49 116.67 121.89 2qi0 s ASP 60 Ca 0.10 -0.03 -0.02 0.00 0.71 0.00 0.00 52.55 53.31 2qi0 s ASP 60 Cb -0.11 -1.49 -0.01 0.00 1.01 0.00 0.00 42.92 42.32 2qi0 s ASP 60 CO 0.01 0.14 0.87 0.00 0.21 0.00 0.00 175.17 176.40 2qi0 n GLN 61 N 0.23 -5.22 -3.68 8.23 1.13 -0.90 -4.90 117.38 112.28 2qi0 n GLN 61 Ca -0.08 0.75 -0.37 0.00 -1.94 0.00 0.00 57.00 55.35 2qi0 n GLN 61 Cb 0.52 -5.52 -0.12 0.00 0.11 0.00 0.00 30.24 25.23 2qi0 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi0 s ILE 62 N -3.49 4.69 0.19 5.09 -1.09 0.33 -4.74 121.20 122.17 2qi0 s ILE 62 Ca 0.08 -0.13 -0.31 0.00 -2.23 0.00 0.00 60.65 58.06 2qi0 s ILE 62 Cb -0.01 -3.26 -0.09 0.00 -1.58 0.00 0.00 42.46 37.52 2qi0 s ILE 62 CO 0.77 0.24 1.40 -2.84 -1.23 0.00 0.00 174.94 173.28 2qi0 s PRO 63 N 1.66 4.31 -0.01 2.79 0.02 -1.26 -2.26 135.00 140.25 2qi0 s PRO 63 Ca 0.06 2.18 0.03 0.00 0.02 0.00 0.00 61.00 63.28 2qi0 s PRO 63 Cb -0.16 -3.18 -0.01 0.00 0.02 0.00 0.00 34.50 31.18 2qi0 s PRO 63 CO 0.07 -0.40 -0.08 0.42 -0.33 0.00 0.00 177.00 176.67 2qi0 s ILE 64 N 0.46 0.67 -0.19 2.83 -1.09 -0.55 -4.63 121.20 118.69 2qi0 s ILE 64 Ca 0.61 -0.36 -0.05 0.00 -2.23 0.00 0.00 60.65 58.62 2qi0 s ILE 64 Cb -0.39 -0.56 -0.02 0.00 -1.58 0.00 0.00 42.46 39.90 2qi0 s ILE 64 CO 0.37 0.19 -0.01 -0.70 -1.23 0.00 0.00 174.94 173.56 2qi0 s GLU 65 N -0.20 3.61 -0.32 2.79 2.12 -0.13 -0.78 118.70 125.80 2qi0 s GLU 65 Ca 0.03 -0.53 0.02 0.00 0.36 0.00 0.00 54.97 54.86 2qi0 s GLU 65 Cb -0.03 -3.04 0.08 0.00 0.26 0.00 0.00 34.13 31.39 2qi0 s GLU 65 CO -0.00 0.04 0.01 0.42 -0.54 0.00 0.00 175.26 175.19 2qi0 s ILE 66 N 0.90 2.47 -1.41 -3.70 1.01 0.66 0.28 121.20 121.42 2qi0 s ILE 66 Ca 0.01 -1.96 -0.04 0.00 0.00 0.00 0.00 60.65 58.66 2qi0 s ILE 66 Cb -0.14 -2.64 0.03 0.00 0.01 0.00 0.00 42.46 39.72 2qi0 s ILE 66 CO 0.02 -0.37 0.70 0.00 0.00 0.00 0.00 174.94 175.29 2qi0 n GLY 68 N -1.69 0.51 3.70 0.00 0.00 -1.26 -5.01 105.19 101.43 2qi0 n GLY 68 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2qi0 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi0 s HIS 69 N -2.28 3.32 0.09 1.61 4.02 -0.65 -5.09 115.29 116.30 2qi0 s HIS 69 Ca 0.00 0.20 -0.23 0.00 1.02 0.00 0.00 55.06 56.06 2qi0 s HIS 69 Cb 0.00 -2.03 -0.07 0.00 -1.02 0.00 0.00 32.58 29.46 2qi0 s HIS 69 CO 0.00 0.31 0.68 0.15 1.02 0.00 0.00 174.74 176.90 2qi0 s LYS 70 N -0.01 4.40 0.20 1.40 1.02 -1.26 -0.24 119.74 125.24 2qi0 s LYS 70 Ca 0.07 0.94 -0.01 0.00 0.02 0.00 0.00 55.97 56.99 2qi0 s LYS 70 Cb -0.12 -3.29 -0.04 0.00 -0.52 0.00 0.00 37.83 33.86 2qi0 s LYS 70 CO 0.01 0.51 0.13 0.00 -0.92 0.00 0.00 175.35 175.07 2qi0 s ALA 71 N -0.78 1.14 -0.28 5.17 0.00 0.03 -4.76 121.76 122.30 2qi0 s ALA 71 Ca 0.33 -1.68 -0.12 0.00 0.00 0.00 0.00 51.96 50.49 2qi0 s ALA 71 Cb -0.21 1.37 0.10 0.00 0.00 0.00 0.00 23.12 24.39 2qi0 s ALA 71 CO 0.22 -0.59 0.63 -1.50 0.00 0.00 0.00 175.76 174.52 2qi0 s ILE 72 N -4.15 -0.54 0.00 0.00 2.07 -1.26 -1.49 121.20 115.83 2qi0 s ILE 72 Ca 0.38 0.02 0.00 0.00 -1.41 0.00 0.00 60.65 59.64 2qi0 s ILE 72 Cb 0.07 -0.95 0.00 0.00 0.13 0.00 0.00 42.46 41.71 2qi0 s ILE 72 CO 0.12 0.01 0.00 0.61 -1.91 0.00 0.00 174.94 173.76 2qi0 n GLY 73 N 4.95 1.46 3.73 1.50 0.00 -0.96 -4.81 105.19 111.06 2qi0 n GLY 73 Ca -0.15 -0.70 -0.41 0.00 0.00 0.00 0.00 46.02 44.76 2qi0 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi0 s THR 74 N -2.37 4.64 -0.07 2.61 2.01 -1.26 -0.51 115.64 120.68 2qi0 s THR 74 Ca 0.00 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.94 2qi0 s THR 74 Cb 0.00 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.27 2qi0 s THR 74 CO 0.00 0.31 -0.16 -0.69 -0.69 0.00 0.00 174.62 173.39 2qi0 s VAL 75 N 0.13 1.45 -0.19 3.82 1.01 0.36 -4.53 120.40 122.45 2qi0 s VAL 75 Ca 0.45 -0.67 -0.10 0.00 0.00 0.00 0.00 61.98 61.66 2qi0 s VAL 75 Cb -0.22 -1.29 -0.05 0.00 0.00 0.00 0.00 36.38 34.82 2qi0 s VAL 75 CO 0.27 0.43 0.13 -0.76 0.00 0.00 0.00 175.10 175.16 2qi0 s LEU 76 N 0.50 4.21 -0.15 3.92 1.43 0.10 -0.73 118.68 127.97 2qi0 s LEU 76 Ca -0.15 0.24 0.02 0.00 -1.03 0.00 0.00 54.13 53.21 2qi0 s LEU 76 Cb -0.16 -2.09 0.01 0.00 0.03 0.00 0.00 46.19 43.98 2qi0 s LEU 76 CO 0.05 0.19 -0.21 -0.69 0.23 0.00 0.00 176.35 175.93 2qi0 s VAL 77 N 0.28 2.17 -0.01 -1.59 1.01 0.03 0.34 120.40 122.63 2qi0 s VAL 77 Ca 0.08 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 2qi0 s VAL 77 Cb -0.11 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.44 2qi0 s VAL 77 CO -0.02 0.54 0.70 0.61 0.00 0.00 0.00 175.10 176.93 2qi0 n GLY 78 N 4.12 0.41 2.27 4.51 0.00 -0.91 -0.29 105.19 115.30 2qi0 n GLY 78 Ca -0.20 -0.95 -0.32 0.00 0.00 0.00 0.00 46.02 44.55 2qi0 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi0 n PRO 79 N -0.50 3.22 -2.70 1.61 -0.04 -1.26 -2.95 135.00 132.38 2qi0 n PRO 79 Ca 0.02 -1.89 -0.39 0.00 -0.04 0.00 0.00 63.50 61.21 2qi0 n PRO 79 Cb 0.31 -2.61 -0.06 0.00 -0.04 0.00 0.00 33.50 31.11 2qi0 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi0 s THR 80 N 2.03 4.00 -0.01 0.52 -1.32 -1.26 -4.98 115.64 114.62 2qi0 s THR 80 Ca 0.67 1.84 0.32 0.00 -1.21 0.00 0.00 61.69 63.30 2qi0 s THR 80 Cb 0.20 -4.11 0.35 0.00 -1.51 0.00 0.00 72.50 67.43 2qi0 s THR 80 CO -0.05 0.31 1.94 1.55 -2.21 0.00 0.00 174.62 176.17 2qi0 h PRO 81 N 3.62 0.00 -3.39 7.08 0.13 -1.99 -3.42 132.00 134.03 2qi0 h PRO 81 Ca -0.46 0.00 -0.16 0.00 -0.87 0.00 0.00 66.00 64.51 2qi0 h PRO 81 Cb 1.20 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2qi0 h PRO 81 CO 0.66 0.00 -0.48 0.14 -0.23 0.00 0.00 178.00 178.09 2qi0 s VAL 82 N -3.62 0.05 0.09 1.56 -7.23 -1.26 -5.06 120.40 104.92 2qi0 s VAL 82 Ca 0.01 -0.41 -0.31 0.00 -1.81 0.00 0.00 61.98 59.47 2qi0 s VAL 82 Cb 0.09 -0.38 -0.07 0.00 0.56 0.00 0.00 36.38 36.58 2qi0 s VAL 82 CO 0.46 -0.22 1.31 0.20 -0.31 0.00 0.00 175.10 176.54 2qi0 s ASN 83 N -0.80 6.93 -0.17 4.85 0.01 -1.26 -4.59 114.94 119.90 2qi0 s ASN 83 Ca -0.09 2.19 0.01 0.00 -0.71 0.00 0.00 52.86 54.26 2qi0 s ASN 83 Cb -0.05 -2.58 0.02 0.00 0.41 0.00 0.00 41.25 39.05 2qi0 s ASN 83 CO 0.01 -0.58 -0.17 -0.63 -1.51 0.00 0.00 177.10 174.22 2qi0 s ILE 84 N 1.17 1.86 -0.37 0.60 1.01 0.13 -0.79 121.20 124.80 2qi0 s ILE 84 Ca 0.62 -0.87 -0.18 0.00 0.00 0.00 0.00 60.65 60.22 2qi0 s ILE 84 Cb -0.34 -1.73 0.00 0.00 0.01 0.00 0.00 42.46 40.40 2qi0 s ILE 84 CO 0.30 0.45 0.51 -0.63 0.00 0.00 0.00 174.94 175.56 2qi0 s ILE 85 N 1.36 5.01 0.66 2.92 -1.09 0.43 -1.00 121.20 129.49 2qi0 s ILE 85 Ca 0.04 0.19 0.03 0.00 -2.23 0.00 0.00 60.65 58.68 2qi0 s ILE 85 Cb -0.14 -4.00 0.11 0.00 -1.58 0.00 0.00 42.46 36.86 2qi0 s ILE 85 CO -0.11 -0.29 0.92 -0.83 -1.23 0.00 0.00 174.94 173.39 2qi0 s GLY 86 N 1.80 1.76 0.44 6.18 0.00 -1.23 -1.01 107.32 115.25 2qi0 s GLY 86 Ca 0.18 -1.86 0.12 0.00 0.00 0.00 0.00 44.72 43.16 2qi0 s GLY 86 CO 0.14 -1.34 2.03 3.21 0.00 0.00 0.00 173.10 177.14 2qi0 h ARG 87 N -0.27 0.39 -0.49 2.90 3.08 -0.66 -1.51 114.38 117.82 2qi0 h ARG 87 Ca -0.34 -0.02 0.09 0.00 0.07 0.00 0.00 59.98 59.77 2qi0 h ARG 87 Cb 1.27 -0.09 -0.03 0.00 0.08 0.00 0.00 29.97 31.21 2qi0 h ARG 87 CO 0.41 0.26 0.33 -2.95 -1.07 0.00 0.00 179.97 176.95 2qi0 h ASN 88 N 0.41 0.27 0.06 7.04 -1.07 -1.79 -2.12 115.58 118.37 2qi0 h ASN 88 Ca 0.20 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.21 2qi0 h ASN 88 Cb 0.28 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 36.41 2qi0 h ASN 88 CO -0.05 0.17 -2.31 0.18 0.07 0.00 0.00 177.43 175.49 2qi0 n LEU 89 N -4.46 0.37 -0.10 6.14 4.77 -0.92 -4.32 117.00 118.47 2qi0 n LEU 89 Ca 0.07 0.04 0.02 0.00 -0.03 0.00 0.00 56.01 56.11 2qi0 n LEU 89 Cb 0.34 0.33 0.33 0.00 -2.33 0.00 0.00 43.42 42.09 2qi0 n LEU 89 CO 0.35 0.53 1.18 -0.07 -1.33 0.00 0.00 177.39 178.04 2qi0 h LEU 90 N 0.00 0.66 -0.97 2.23 3.38 -0.90 -1.40 115.31 118.32 2qi0 h LEU 90 Ca -0.52 -0.03 -0.05 0.00 0.09 0.00 0.00 57.88 57.37 2qi0 h LEU 90 Cb 2.19 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.75 2qi0 h LEU 90 CO 0.03 0.50 0.17 0.71 0.09 0.00 0.00 178.44 179.93 2qi0 h THR 91 N 0.77 1.23 0.00 0.22 1.35 -1.60 -1.70 112.91 113.18 2qi0 h THR 91 Ca 0.20 -0.83 -0.06 0.00 -0.55 0.00 0.00 66.41 65.17 2qi0 h THR 91 Cb -0.05 0.60 -0.01 0.00 -1.73 0.00 0.00 68.15 66.96 2qi0 h THR 91 CO -0.04 0.32 -0.30 1.56 -0.25 0.00 0.00 175.52 176.81 2qi0 h GLN 92 N 0.89 0.00 -0.56 4.72 4.20 -1.45 -2.59 115.11 120.31 2qi0 h GLN 92 Ca 0.20 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2qi0 h GLN 92 Cb 0.29 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.07 2qi0 h GLN 92 CO -0.00 0.30 0.00 0.44 -0.67 0.00 0.00 178.83 178.89 2qi0 n ILE 93 N -3.96 0.73 -1.13 2.54 -5.35 -1.07 -4.93 119.36 106.20 2qi0 n ILE 93 Ca -0.02 -0.84 0.00 0.00 -0.27 0.00 0.00 62.75 61.62 2qi0 n ILE 93 Cb 0.36 0.68 0.00 0.00 -1.74 0.00 0.00 39.64 38.95 2qi0 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi0 n GLY 94 N 1.56 0.53 3.72 3.28 0.00 -0.98 -5.02 105.19 108.28 2qi0 n GLY 94 Ca 0.22 -0.87 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 2qi0 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi0 s THR 96 N 0.73 1.46 -0.09 0.00 -4.23 -1.26 -4.69 115.64 107.55 2qi0 s THR 96 Ca 0.41 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.84 2qi0 s THR 96 Cb -0.19 -1.82 -0.04 0.00 1.34 0.00 0.00 72.50 71.79 2qi0 s THR 96 CO 0.21 -0.57 0.18 -0.76 -0.54 0.00 0.00 174.62 173.15 2qi0 s LEU 97 N -2.97 4.40 -0.02 4.79 1.43 -1.26 -5.10 118.68 119.95 2qi0 s LEU 97 Ca 0.16 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 2qi0 s LEU 97 Cb -0.01 -2.18 0.03 0.00 0.03 0.00 0.00 46.19 44.05 2qi0 s LEU 97 CO 0.04 0.39 0.02 0.20 0.23 0.00 0.00 176.35 177.23 2qi0 s ASN 98 N -1.10 0.07 0.00 2.29 -0.87 -1.26 -5.30 114.94 108.78 2qi0 s ASN 98 Ca 0.17 0.03 0.00 0.00 -1.57 0.00 0.00 52.86 51.49 2qi0 s ASN 98 Cb -0.13 -0.07 0.00 0.00 -0.02 0.00 0.00 41.25 41.04 2qi0 s ASN 98 CO 0.06 -0.11 0.00 2.22 -2.57 0.00 0.00 177.10 176.70