#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 3.83 -0.13 0.54 0.74 -1.26 -5.11 119.66 118.28 2qi0 s GLN 2 Ca 0.00 -0.12 0.00 0.00 0.05 0.00 0.00 55.36 55.29 2qi0 s GLN 2 Cb 0.00 -3.30 0.02 0.00 1.10 0.00 0.00 33.01 30.83 2qi0 s GLN 2 CO 0.00 0.54 -0.11 0.42 -0.55 0.00 0.00 175.29 175.59 2qi0 s ILE 3 N -0.35 1.31 0.75 -2.34 1.01 -1.26 -5.13 121.20 115.19 2qi0 s ILE 3 Ca 0.13 -0.47 -0.07 0.00 0.00 0.00 0.00 60.65 60.24 2qi0 s ILE 3 Cb -0.12 -1.26 0.11 0.00 0.01 0.00 0.00 42.46 41.20 2qi0 s ILE 3 CO 0.02 0.41 1.06 0.42 0.00 0.00 0.00 174.94 176.85 2qi0 s THR 4 N 1.52 2.20 -0.05 2.92 -4.23 -1.26 -5.05 115.64 111.69 2qi0 s THR 4 Ca 0.03 -0.32 0.08 0.00 -1.18 0.00 0.00 61.69 60.30 2qi0 s THR 4 Cb -0.13 -2.88 0.12 0.00 1.34 0.00 0.00 72.50 70.95 2qi0 s THR 4 CO -0.08 0.00 1.01 0.18 -0.54 0.00 0.00 174.62 175.19 2qi0 n LEU 5 N -3.04 1.71 0.28 4.79 4.77 -1.26 -4.50 117.00 119.75 2qi0 n LEU 5 Ca 0.11 -2.13 0.16 0.00 -0.03 0.00 0.00 56.01 54.12 2qi0 n LEU 5 Cb 0.60 -0.18 0.81 0.00 -2.33 0.00 0.00 43.42 42.33 2qi0 n LEU 5 CO 0.48 0.51 1.02 -0.50 -1.33 0.00 0.00 177.39 177.56 2qi0 h TRP 6 N 0.00 0.00 -2.51 -1.77 6.55 -2.07 -3.42 115.95 112.73 2qi0 h TRP 6 Ca 0.00 0.00 -0.60 0.00 0.95 0.00 0.00 58.89 59.24 2qi0 h TRP 6 Cb 0.86 0.00 -0.15 0.00 -0.86 0.00 0.00 29.16 29.01 2qi0 h TRP 6 CO 0.01 0.07 -0.77 0.15 -1.05 0.00 0.00 178.44 176.85 2qi0 s LYS 7 N -4.02 1.60 0.20 0.49 -0.14 -1.26 -5.10 119.74 111.50 2qi0 s LYS 7 Ca -0.02 -1.69 -0.33 0.00 -1.36 0.00 0.00 55.97 52.57 2qi0 s LYS 7 Cb 0.12 -1.71 -0.14 0.00 -1.68 0.00 0.00 37.83 34.42 2qi0 s LYS 7 CO 0.54 0.33 1.50 0.54 -0.76 0.00 0.00 175.35 177.50 2qi0 n ARG 8 N -0.38 2.09 -1.75 1.68 1.74 -1.26 -4.86 116.66 113.91 2qi0 n ARG 8 Ca -0.07 0.75 -0.41 0.00 -0.77 0.00 0.00 57.85 57.34 2qi0 n ARG 8 Cb 0.59 -2.47 -0.02 0.00 -1.02 0.00 0.00 32.46 29.54 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 2.76 2.48 -3.30 5.56 -0.04 -1.26 -4.92 135.00 136.28 2qi0 n PRO 9 Ca 0.14 -2.52 -0.37 0.00 -0.04 0.00 0.00 63.50 60.72 2qi0 n PRO 9 Cb 0.30 -3.27 -0.06 0.00 -0.04 0.00 0.00 33.50 30.43 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 2.96 4.43 0.05 1.53 1.43 -1.26 -1.17 118.68 126.65 2qi0 s LEU 10 Ca 0.52 1.19 -0.03 0.00 -1.03 0.00 0.00 54.13 54.79 2qi0 s LEU 10 Cb 0.11 -3.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.19 2qi0 s LEU 10 CO 0.01 0.18 0.02 0.68 0.23 0.00 0.00 176.35 177.47 2qi0 s VAL 11 N -1.30 0.19 -0.01 -1.59 -7.23 0.06 -4.95 120.40 105.56 2qi0 s VAL 11 Ca 0.34 -1.54 -0.27 0.00 -1.81 0.00 0.00 61.98 58.69 2qi0 s VAL 11 Cb -0.17 -1.31 -0.04 0.00 0.56 0.00 0.00 36.38 35.42 2qi0 s VAL 11 CO 0.19 -0.85 0.87 -0.89 -0.31 0.00 0.00 175.10 174.11 2qi0 s THR 12 N -3.56 4.90 0.20 5.32 2.01 -1.26 -0.60 115.64 122.65 2qi0 s THR 12 Ca 0.03 1.83 0.10 0.00 0.31 0.00 0.00 61.69 63.96 2qi0 s THR 12 Cb 0.05 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.30 2qi0 s THR 12 CO -0.09 0.21 -0.14 0.27 -0.69 0.00 0.00 174.62 174.18 2qi0 s ILE 13 N 0.80 2.88 -0.17 1.82 -4.36 0.42 -2.21 121.20 120.39 2qi0 s ILE 13 Ca 0.46 -1.88 0.01 0.00 -0.26 0.00 0.00 60.65 58.98 2qi0 s ILE 13 Cb -0.20 -2.44 0.01 0.00 1.25 0.00 0.00 42.46 41.08 2qi0 s ILE 13 CO 0.25 -0.17 -0.19 -0.60 0.24 0.00 0.00 174.94 174.46 2qi0 s ARG 14 N -2.94 3.05 -0.06 0.37 3.52 -0.08 -1.35 118.95 121.46 2qi0 s ARG 14 Ca 0.25 -0.82 -0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2qi0 s ARG 14 Cb -0.08 -2.56 0.04 0.00 -1.56 0.00 0.00 34.95 30.79 2qi0 s ARG 14 CO 0.14 -0.12 0.11 -1.50 -0.81 0.00 0.00 175.30 173.12 2qi0 s ILE 15 N 1.09 -0.15 -1.50 4.11 2.07 -0.34 -1.83 121.20 124.65 2qi0 s ILE 15 Ca -0.00 0.33 -0.06 0.00 -1.41 0.00 0.00 60.65 59.51 2qi0 s ILE 15 Cb -0.14 -0.21 0.01 0.00 0.13 0.00 0.00 42.46 42.25 2qi0 s ILE 15 CO -0.07 0.14 0.75 0.61 -1.91 0.00 0.00 174.94 174.46 2qi0 n GLY 16 N 4.98 -0.53 2.44 1.50 0.00 -1.26 -1.48 105.19 110.84 2qi0 n GLY 16 Ca -0.11 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.63 0.64 3.42 -0.02 0.00 -1.26 -5.01 105.19 101.33 2qi0 n GLY 17 Ca -0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.10 2.58 -0.08 1.61 -1.52 -0.55 -5.11 119.66 116.48 2qi0 s GLN 18 Ca 0.00 -0.74 -0.18 0.00 -1.95 0.00 0.00 55.36 52.49 2qi0 s GLN 18 Cb 0.00 -2.35 -0.05 0.00 -0.22 0.00 0.00 33.01 30.39 2qi0 s GLN 18 CO 0.00 0.54 0.49 -0.51 -0.25 0.00 0.00 175.29 175.56 2qi0 s LEU 19 N -0.52 4.33 0.09 2.90 1.43 -1.26 -1.20 118.68 124.45 2qi0 s LEU 19 Ca 0.07 0.89 0.02 0.00 -1.03 0.00 0.00 54.13 54.08 2qi0 s LEU 19 Cb -0.12 -2.72 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2qi0 s LEU 19 CO 0.01 0.06 -0.07 -0.54 0.23 0.00 0.00 176.35 176.04 2qi0 s LYS 20 N 0.25 0.81 -0.20 1.70 1.02 -0.46 -4.99 119.74 117.88 2qi0 s LYS 20 Ca 0.26 -1.24 -0.09 0.00 0.02 0.00 0.00 55.97 54.92 2qi0 s LYS 20 Cb -0.16 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.82 2qi0 s LYS 20 CO 0.12 0.01 0.11 -1.21 -0.92 0.00 0.00 175.35 173.46 2qi0 s GLU 21 N -3.40 4.13 0.07 1.68 8.01 -1.26 -0.43 118.70 127.50 2qi0 s GLU 21 Ca 0.08 -0.25 0.02 0.00 0.01 0.00 0.00 54.97 54.83 2qi0 s GLU 21 Cb 0.02 -3.37 -0.03 0.00 -4.31 0.00 0.00 34.13 26.44 2qi0 s GLU 21 CO -0.03 0.30 -0.07 0.00 0.01 0.00 0.00 175.26 175.46 2qi0 s ALA 22 N 0.36 0.77 -0.19 5.21 0.00 0.23 -4.57 121.76 123.57 2qi0 s ALA 22 Ca 0.07 -1.04 -0.14 0.00 0.00 0.00 0.00 51.96 50.85 2qi0 s ALA 22 Cb -0.11 0.09 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 2qi0 s ALA 22 CO -0.01 -0.11 0.29 -1.17 0.00 0.00 0.00 175.76 174.75 2qi0 s LEU 23 N -2.26 4.19 -0.43 0.00 2.96 -0.09 -0.76 118.68 122.29 2qi0 s LEU 23 Ca 0.00 0.42 -0.29 0.00 -0.22 0.00 0.00 54.13 54.05 2qi0 s LEU 23 Cb -0.03 -2.36 0.02 0.00 0.50 0.00 0.00 46.19 44.32 2qi0 s LEU 23 CO -0.02 0.04 1.31 -0.76 -1.32 0.00 0.00 176.35 175.60 2qi0 s LEU 24 N 0.85 3.62 -0.38 -0.68 1.43 -0.32 -0.35 118.68 122.86 2qi0 s LEU 24 Ca 0.15 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.99 2qi0 s LEU 24 Cb -0.14 -3.54 0.11 0.00 0.03 0.00 0.00 46.19 42.65 2qi0 s LEU 24 CO 0.05 -1.35 0.14 -0.62 0.23 0.00 0.00 176.35 174.81 2qi0 s ASP 25 N 3.33 4.14 0.44 2.29 -1.08 -0.49 -4.78 116.67 120.52 2qi0 s ASP 25 Ca 0.56 -2.21 0.30 0.00 -0.52 0.00 0.00 52.55 50.68 2qi0 s ASP 25 Cb -0.11 -1.20 1.30 0.00 -1.46 0.00 0.00 42.92 41.45 2qi0 s ASP 25 CO 0.32 -0.34 1.90 0.71 0.52 0.00 0.00 175.17 178.27 2qi0 h THR 26 N 6.06 0.00 -0.01 1.71 1.35 -1.93 -2.33 112.91 117.75 2qi0 h THR 26 Ca -0.07 -0.34 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2qi0 h THR 26 Cb 0.98 1.21 0.00 0.00 -1.73 0.00 0.00 68.15 68.61 2qi0 h THR 26 CO 0.51 0.00 -0.02 0.61 -0.25 0.00 0.00 175.52 176.38 2qi0 n GLY 27 N -0.13 -0.60 3.51 5.82 0.00 -1.26 -4.77 105.19 107.75 2qi0 n GLY 27 Ca 0.01 -0.30 -0.36 0.00 0.00 0.00 0.00 46.02 45.36 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 -2.07 3.29 0.25 4.61 0.00 -0.88 -4.97 121.76 121.99 2qi0 s ALA 28 Ca 0.41 -1.05 -0.01 0.00 0.00 0.00 0.00 51.96 51.31 2qi0 s ALA 28 Cb 0.21 -2.15 0.31 0.00 0.00 0.00 0.00 23.12 21.50 2qi0 s ALA 28 CO 0.37 -0.38 1.70 -0.44 0.00 0.00 0.00 175.76 177.01 2qi0 h ASP 29 N 8.00 0.66 -1.84 0.00 3.32 -1.86 0.60 116.42 125.30 2qi0 h ASP 29 Ca -0.37 -0.21 -0.58 0.00 0.02 0.00 0.00 57.03 55.89 2qi0 h ASP 29 Cb 1.18 -0.18 -0.10 0.00 0.22 0.00 0.00 39.33 40.45 2qi0 h ASP 29 CO 0.59 0.85 -0.58 -1.81 -1.72 0.00 0.00 179.24 176.57 2qi0 s ASP 30 N -6.75 4.30 -0.25 6.45 1.01 -1.26 -2.82 116.67 117.36 2qi0 s ASP 30 Ca -0.08 -0.98 -0.09 0.00 0.71 0.00 0.00 52.55 52.10 2qi0 s ASP 30 Cb 0.14 -0.55 -0.04 0.00 1.01 0.00 0.00 42.92 43.47 2qi0 s ASP 30 CO 0.81 -0.31 0.13 -0.89 0.21 0.00 0.00 175.17 175.12 2qi0 s THR 31 N -2.52 5.00 -0.08 -1.27 2.01 -1.26 -3.18 115.64 114.33 2qi0 s THR 31 Ca 0.36 0.06 -0.00 0.00 0.31 0.00 0.00 61.69 62.42 2qi0 s THR 31 Cb 0.01 -3.34 0.02 0.00 0.01 0.00 0.00 72.50 69.20 2qi0 s THR 31 CO 0.20 0.33 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 2qi0 s VAL 32 N 1.30 0.69 0.09 3.82 1.01 -0.64 -0.71 120.40 125.97 2qi0 s VAL 32 Ca 0.06 -0.12 0.06 0.00 0.00 0.00 0.00 61.98 61.98 2qi0 s VAL 32 Cb -0.14 -0.75 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2qi0 s VAL 32 CO 0.06 0.30 -0.04 -0.76 0.00 0.00 0.00 175.10 174.65 2qi0 s LEU 33 N 1.53 3.28 1.00 3.92 1.43 0.10 -0.69 118.68 129.25 2qi0 s LEU 33 Ca -0.00 -0.26 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 2qi0 s LEU 33 Cb -0.13 -2.04 0.16 0.00 0.03 0.00 0.00 46.19 44.21 2qi0 s LEU 33 CO -0.04 0.18 0.91 -0.62 0.23 0.00 0.00 176.35 177.00 2qi0 n GLU 34 N 0.64 -0.96 -1.67 1.70 1.02 -1.26 -1.94 120.64 118.17 2qi0 n GLU 34 Ca -0.12 -0.23 -0.53 0.00 -0.02 0.00 0.00 57.16 56.26 2qi0 n GLU 34 Cb 0.52 -2.19 -0.06 0.00 -0.02 0.00 0.00 31.44 29.69 2qi0 n GLU 34 CO 0.00 0.00 0.00 -1.91 1.18 0.00 0.00 177.13 176.40 2qi0 n GLU 35 N -3.80 1.47 -3.83 3.49 4.07 -1.23 -4.62 120.64 116.17 2qi0 n GLU 35 Ca 0.08 0.53 -0.09 0.00 -0.06 0.00 0.00 57.16 57.63 2qi0 n GLU 35 Cb 0.53 -2.25 -0.03 0.00 -0.06 0.00 0.00 31.44 29.63 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 2.53 1.56 -0.15 5.31 0.23 -1.26 -5.05 119.30 122.47 2qi0 s MET 36 Ca 0.91 -0.99 -0.16 0.00 -1.03 0.00 0.00 55.69 54.43 2qi0 s MET 36 Cb -0.92 0.54 -0.04 0.00 -1.53 0.00 0.00 34.83 32.88 2qi0 s MET 36 CO 0.55 -0.68 0.39 -0.80 -2.03 0.00 0.00 175.02 172.44 2qi0 s ASN 37 N -2.92 6.54 0.10 -1.18 0.02 -1.26 -5.04 114.94 111.19 2qi0 s ASN 37 Ca 0.13 0.63 0.08 0.00 -1.02 0.00 0.00 52.86 52.68 2qi0 s ASN 37 Cb -0.03 -2.23 -0.03 0.00 0.02 0.00 0.00 41.25 38.98 2qi0 s ASN 37 CO 0.03 0.03 -0.19 -0.76 0.02 0.00 0.00 177.10 176.22 2qi0 s LEU 38 N 0.68 2.30 0.76 0.60 1.43 -1.26 -5.07 118.68 118.12 2qi0 s LEU 38 Ca 0.21 -0.68 -0.11 0.00 -1.03 0.00 0.00 54.13 52.52 2qi0 s LEU 38 Cb -0.14 -0.81 0.05 0.00 0.03 0.00 0.00 46.19 45.32 2qi0 s LEU 38 CO 0.07 0.03 1.09 -2.84 0.23 0.00 0.00 176.35 174.93 2qi0 s PRO 39 N -1.90 2.37 0.01 1.29 0.02 -1.26 -4.96 135.00 130.57 2qi0 s PRO 39 Ca 0.05 0.63 0.00 0.00 0.02 0.00 0.00 61.00 61.70 2qi0 s PRO 39 Cb -0.10 -1.95 0.00 0.00 0.02 0.00 0.00 34.50 32.47 2qi0 s PRO 39 CO 0.04 -1.42 0.00 0.41 -0.33 0.00 0.00 177.00 175.70 2qi0 n GLY 40 N -2.31 -1.50 3.77 0.52 0.00 -1.26 -4.94 105.19 99.48 2qi0 n GLY 40 Ca 0.07 -1.52 -0.36 0.00 0.00 0.00 0.00 46.02 44.21 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 -1.35 3.62 0.21 1.61 0.00 -1.26 -5.06 119.74 117.50 2qi0 s LYS 41 Ca 0.00 1.71 0.04 0.00 0.00 0.00 0.00 55.97 57.72 2qi0 s LYS 41 Cb 0.00 -2.26 -0.05 0.00 0.00 0.00 0.00 37.83 35.52 2qi0 s LYS 41 CO 0.00 -0.66 -0.05 1.67 0.00 0.00 0.00 175.35 176.32 2qi0 s TRP 42 N -1.63 1.53 -0.04 1.78 1.48 -1.26 -4.61 118.94 116.19 2qi0 s TRP 42 Ca 0.67 -0.83 0.07 0.00 -1.06 0.00 0.00 56.10 54.95 2qi0 s TRP 42 Cb -0.27 -0.84 -0.02 0.00 -1.16 0.00 0.00 33.47 31.19 2qi0 s TRP 42 CO 0.32 0.06 -0.25 0.15 -4.06 0.00 0.00 176.95 173.16 2qi0 s LYS 43 N -3.80 2.24 0.30 3.25 -0.14 -0.85 -4.90 119.74 115.85 2qi0 s LYS 43 Ca 0.25 -0.90 -0.29 0.00 -1.36 0.00 0.00 55.97 53.67 2qi0 s LYS 43 Cb 0.04 -2.05 -0.10 0.00 -1.68 0.00 0.00 37.83 34.04 2qi0 s LYS 43 CO 0.07 0.47 1.41 -2.14 -0.76 0.00 0.00 175.35 174.40 2qi0 s PRO 44 N -0.41 4.27 0.18 -1.68 0.02 -1.26 -0.89 135.00 135.22 2qi0 s PRO 44 Ca 0.04 2.33 -0.06 0.00 0.02 0.00 0.00 61.00 63.33 2qi0 s PRO 44 Cb -0.11 -3.07 -0.02 0.00 0.02 0.00 0.00 34.50 31.32 2qi0 s PRO 44 CO 0.01 -0.37 0.24 0.15 -0.33 0.00 0.00 177.00 176.70 2qi0 s LYS 45 N -1.19 1.19 -0.03 5.54 1.02 -0.78 -4.91 119.74 120.58 2qi0 s LYS 45 Ca 0.55 -1.34 0.05 0.00 0.02 0.00 0.00 55.97 55.24 2qi0 s LYS 45 Cb -0.42 0.34 -0.01 0.00 -0.52 0.00 0.00 37.83 37.23 2qi0 s LYS 45 CO 0.50 -0.42 -0.17 -1.64 -0.92 0.00 0.00 175.35 172.70 2qi0 s MET 46 N -4.04 1.67 0.14 1.68 -1.94 -1.26 -1.08 119.30 114.48 2qi0 s MET 46 Ca 0.25 -0.61 0.07 0.00 -1.71 0.00 0.00 55.69 53.68 2qi0 s MET 46 Cb 0.04 -1.50 -0.04 0.00 2.01 0.00 0.00 34.83 35.34 2qi0 s MET 46 CO 0.05 0.28 -0.15 0.96 -0.01 0.00 0.00 175.02 176.15 2qi0 s ILE 47 N -0.10 1.53 -0.01 2.53 -4.36 -0.84 -4.97 121.20 114.99 2qi0 s ILE 47 Ca -0.01 -1.84 0.08 0.00 -0.26 0.00 0.00 60.65 58.62 2qi0 s ILE 47 Cb -0.10 -1.70 -0.02 0.00 1.25 0.00 0.00 42.46 41.89 2qi0 s ILE 47 CO 0.01 -0.41 -0.24 -0.83 0.24 0.00 0.00 174.94 173.72 2qi0 s GLY 48 N -2.62 1.19 0.00 6.27 0.00 -1.26 -0.66 107.32 110.23 2qi0 s GLY 48 Ca 0.13 -1.05 0.00 0.00 0.00 0.00 0.00 44.72 43.79 2qi0 s GLY 48 CO 0.04 -0.88 0.00 0.61 0.00 0.00 0.00 173.10 172.87 2qi0 n GLY 49 N 2.42 5.46 0.27 0.20 0.00 -0.12 -4.99 105.19 108.42 2qi0 n GLY 49 Ca -0.16 -1.35 -0.05 0.00 0.00 0.00 0.00 46.02 44.47 2qi0 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qi0 h ILE 50 N 0.00 1.25 -0.23 -0.61 2.10 -2.02 -2.91 117.51 115.10 2qi0 h ILE 50 Ca 0.00 -1.16 0.00 0.00 1.08 0.00 0.00 64.86 64.78 2qi0 h ILE 50 Cb 0.00 1.09 0.00 0.00 -1.09 0.00 0.00 36.82 36.82 2qi0 h ILE 50 CO 0.00 0.39 0.00 0.61 -1.08 0.00 0.00 178.15 178.07 2qi0 n GLY 51 N -0.46 0.93 0.00 8.18 0.00 -1.26 -5.05 105.19 107.52 2qi0 n GLY 51 Ca 0.01 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.45 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 1.31 0.54 3.75 -0.02 0.00 -1.10 -5.09 105.19 104.57 2qi0 n GLY 52 Ca 0.17 -2.14 -0.29 0.00 0.00 0.00 0.00 46.02 43.76 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 -0.60 3.10 0.15 1.61 0.40 -1.26 -0.95 117.98 120.43 2qi0 s PHE 53 Ca 0.00 0.01 0.05 0.00 -0.60 0.00 0.00 56.93 56.39 2qi0 s PHE 53 Cb 0.00 -1.55 -0.04 0.00 0.51 0.00 0.00 43.02 41.93 2qi0 s PHE 53 CO 0.00 0.51 -0.11 0.96 0.70 0.00 0.00 175.22 177.27 2qi0 s ILE 54 N -1.47 1.29 0.03 0.64 -4.36 0.16 -4.99 121.20 112.50 2qi0 s ILE 54 Ca 0.28 -2.03 -0.19 0.00 -0.26 0.00 0.00 60.65 58.46 2qi0 s ILE 54 Cb -0.11 -1.82 -0.06 0.00 1.25 0.00 0.00 42.46 41.71 2qi0 s ILE 54 CO 0.21 -0.67 0.55 -0.54 0.24 0.00 0.00 174.94 174.73 2qi0 s LYS 55 N -3.55 4.21 0.23 0.37 1.02 -1.26 -1.98 119.74 118.78 2qi0 s LYS 55 Ca 0.16 0.68 0.02 0.00 0.02 0.00 0.00 55.97 56.85 2qi0 s LYS 55 Cb 0.01 -3.28 -0.05 0.00 -0.52 0.00 0.00 37.83 33.99 2qi0 s LYS 55 CO 0.02 0.53 0.05 0.14 -0.92 0.00 0.00 175.35 175.17 2qi0 s VAL 56 N -0.71 0.65 -0.20 3.17 -7.23 -0.24 -4.45 120.40 111.39 2qi0 s VAL 56 Ca 0.29 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.38 2qi0 s VAL 56 Cb -0.18 -2.42 -0.04 0.00 0.56 0.00 0.00 36.38 34.29 2qi0 s VAL 56 CO 0.17 -0.20 0.07 -0.13 -0.31 0.00 0.00 175.10 174.70 2qi0 s ARG 57 N -3.97 3.93 -0.36 4.82 0.52 0.11 -1.87 118.95 122.12 2qi0 s ARG 57 Ca 0.32 -0.36 -0.14 0.00 -0.52 0.00 0.00 55.73 55.03 2qi0 s ARG 57 Cb 0.07 -3.27 -0.01 0.00 0.52 0.00 0.00 34.95 32.26 2qi0 s ARG 57 CO 0.10 0.17 0.27 -1.14 0.02 0.00 0.00 175.30 174.72 2qi0 s GLN 58 N 0.66 3.35 -0.20 3.54 0.74 -0.07 -0.55 119.66 127.12 2qi0 s GLN 58 Ca 0.04 -0.73 -0.07 0.00 0.05 0.00 0.00 55.36 54.65 2qi0 s GLN 58 Cb -0.13 -3.86 -0.04 0.00 1.10 0.00 0.00 33.01 30.08 2qi0 s GLN 58 CO 0.02 -0.55 0.06 0.71 -0.55 0.00 0.00 175.29 174.98 2qi0 s TYR 59 N 1.75 3.17 0.19 1.67 1.51 0.59 -2.00 117.35 124.23 2qi0 s TYR 59 Ca 0.06 -0.11 0.01 0.00 -1.01 0.00 0.00 57.07 56.02 2qi0 s TYR 59 Cb -0.18 -2.13 -0.04 0.00 -0.11 0.00 0.00 41.96 39.51 2qi0 s TYR 59 CO 0.11 -0.04 0.37 -0.51 -1.11 0.00 0.00 175.55 174.37 2qi0 s ASP 60 N 0.81 6.37 -1.27 2.29 1.01 -1.26 -0.61 116.67 124.00 2qi0 s ASP 60 Ca 0.03 0.32 -0.04 0.00 0.71 0.00 0.00 52.55 53.58 2qi0 s ASP 60 Cb -0.14 -1.97 -0.01 0.00 1.01 0.00 0.00 42.92 41.81 2qi0 s ASP 60 CO 0.02 -0.03 0.69 0.00 0.21 0.00 0.00 175.17 176.07 2qi0 n GLN 61 N -0.71 -3.91 -3.69 8.23 1.13 -1.11 -4.89 117.38 112.42 2qi0 n GLN 61 Ca -0.06 0.58 -0.37 0.00 -1.94 0.00 0.00 57.00 55.22 2qi0 n GLN 61 Cb 0.54 -4.97 -0.11 0.00 0.11 0.00 0.00 30.24 25.81 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 -3.66 4.98 0.10 5.09 -1.09 1.00 -4.68 121.20 122.95 2qi0 s ILE 62 Ca 0.11 0.05 -0.31 0.00 -2.23 0.00 0.00 60.65 58.27 2qi0 s ILE 62 Cb -0.03 -3.34 -0.09 0.00 -1.58 0.00 0.00 42.46 37.42 2qi0 s ILE 62 CO 0.82 0.31 1.56 -2.84 -1.23 0.00 0.00 174.94 173.57 2qi0 s PRO 63 N 1.44 4.23 -0.04 2.79 0.02 -1.26 -1.87 135.00 140.31 2qi0 s PRO 63 Ca 0.06 2.27 0.02 0.00 0.02 0.00 0.00 61.00 63.38 2qi0 s PRO 63 Cb -0.15 -3.39 0.01 0.00 0.02 0.00 0.00 34.50 30.99 2qi0 s PRO 63 CO 0.07 -0.63 -0.09 0.42 -0.33 0.00 0.00 177.00 176.43 2qi0 s ILE 64 N 1.87 0.83 -0.27 2.83 1.01 -0.52 -4.55 121.20 122.41 2qi0 s ILE 64 Ca 0.70 -0.35 -0.14 0.00 0.00 0.00 0.00 60.65 60.86 2qi0 s ILE 64 Cb -0.40 -0.76 -0.04 0.00 0.01 0.00 0.00 42.46 41.27 2qi0 s ILE 64 CO 0.31 0.27 0.35 -0.70 0.00 0.00 0.00 174.94 175.17 2qi0 s GLU 65 N 0.42 4.00 -0.41 2.79 2.12 -0.76 -0.86 118.70 125.99 2qi0 s GLU 65 Ca -0.07 -0.02 -0.05 0.00 0.36 0.00 0.00 54.97 55.18 2qi0 s GLU 65 Cb -0.11 -3.66 0.10 0.00 0.26 0.00 0.00 34.13 30.72 2qi0 s GLU 65 CO 0.01 -0.27 0.23 0.42 -0.54 0.00 0.00 175.26 175.11 2qi0 s ILE 66 N 2.03 3.65 -1.15 -3.70 1.01 0.76 -0.91 121.20 122.89 2qi0 s ILE 66 Ca 0.14 -1.80 -0.07 0.00 0.00 0.00 0.00 60.65 58.92 2qi0 s ILE 66 Cb -0.16 -3.39 0.01 0.00 0.01 0.00 0.00 42.46 38.93 2qi0 s ILE 66 CO 0.10 -0.62 1.00 0.00 0.00 0.00 0.00 174.94 175.43 2qi0 n GLY 68 N -1.77 1.88 3.58 0.00 0.00 -1.26 -5.03 105.19 102.60 2qi0 n GLY 68 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.41 3.12 -0.01 1.61 4.02 -0.57 -5.07 115.29 115.97 2qi0 s HIS 69 Ca 0.00 -0.07 -0.25 0.00 1.02 0.00 0.00 55.06 55.77 2qi0 s HIS 69 Cb 0.00 -1.94 -0.04 0.00 -1.02 0.00 0.00 32.58 29.58 2qi0 s HIS 69 CO 0.00 0.15 0.76 -1.59 1.02 0.00 0.00 174.74 175.08 2qi0 s LYS 70 N 0.02 4.47 0.19 1.40 0.00 -1.26 -0.17 119.74 124.39 2qi0 s LYS 70 Ca 0.02 1.01 0.09 0.00 0.00 0.00 0.00 55.97 57.09 2qi0 s LYS 70 Cb -0.13 -3.41 -0.04 0.00 0.00 0.00 0.00 37.83 34.24 2qi0 s LYS 70 CO 0.02 0.14 -0.17 0.00 0.00 0.00 0.00 175.35 175.34 2qi0 s ALA 71 N 0.47 2.09 -0.14 0.59 0.00 -0.04 -4.68 121.76 120.05 2qi0 s ALA 71 Ca 0.40 -1.58 -0.03 0.00 0.00 0.00 0.00 51.96 50.75 2qi0 s ALA 71 Cb -0.19 -0.17 0.05 0.00 0.00 0.00 0.00 23.12 22.81 2qi0 s ALA 71 CO 0.21 0.20 0.05 0.42 0.00 0.00 0.00 175.76 176.64 2qi0 s ILE 72 N -2.34 0.18 0.00 0.00 1.01 -1.26 -1.44 121.20 117.36 2qi0 s ILE 72 Ca 0.19 -0.15 0.00 0.00 0.00 0.00 0.00 60.65 60.69 2qi0 s ILE 72 Cb -0.04 -0.65 0.00 0.00 0.01 0.00 0.00 42.46 41.78 2qi0 s ILE 72 CO 0.08 -0.10 0.00 0.61 0.00 0.00 0.00 174.94 175.53 2qi0 n GLY 73 N 5.19 1.53 3.70 6.18 0.00 -0.78 -4.76 105.19 116.24 2qi0 n GLY 73 Ca -0.07 -0.73 -0.42 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.44 4.69 -0.11 2.61 2.01 -1.26 -0.00 115.64 121.15 2qi0 s THR 74 Ca 0.00 1.94 0.02 0.00 0.31 0.00 0.00 61.69 63.96 2qi0 s THR 74 Cb 0.00 -4.25 0.02 0.00 0.01 0.00 0.00 72.50 68.28 2qi0 s THR 74 CO 0.00 0.10 -0.14 -0.69 -0.69 0.00 0.00 174.62 173.20 2qi0 s VAL 75 N 1.37 1.42 -0.06 3.82 1.01 0.22 -4.47 120.40 123.72 2qi0 s VAL 75 Ca 0.52 -0.59 -0.08 0.00 0.00 0.00 0.00 61.98 61.83 2qi0 s VAL 75 Cb -0.22 -1.31 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 2qi0 s VAL 75 CO 0.25 0.43 0.23 -0.76 0.00 0.00 0.00 175.10 175.25 2qi0 s LEU 76 N 1.04 4.40 -0.10 3.92 1.43 0.11 -0.30 118.68 129.18 2qi0 s LEU 76 Ca -0.06 0.59 0.02 0.00 -1.03 0.00 0.00 54.13 53.65 2qi0 s LEU 76 Cb -0.15 -2.35 0.01 0.00 0.03 0.00 0.00 46.19 43.73 2qi0 s LEU 76 CO -0.02 0.35 -0.17 -0.69 0.23 0.00 0.00 176.35 176.05 2qi0 s VAL 77 N -1.12 1.56 -0.56 -1.59 1.01 0.29 0.02 120.40 120.02 2qi0 s VAL 77 Ca 0.21 -0.70 0.00 0.00 0.00 0.00 0.00 61.98 61.48 2qi0 s VAL 77 Cb -0.13 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.84 2qi0 s VAL 77 CO 0.10 0.45 0.00 0.61 0.00 0.00 0.00 175.10 176.26 2qi0 n GLY 78 N 3.99 -1.17 2.31 4.51 0.00 -0.82 0.04 105.19 114.05 2qi0 n GLY 78 Ca -0.20 -0.82 -0.37 0.00 0.00 0.00 0.00 46.02 44.63 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 0.00 3.68 -2.50 1.61 -0.04 -1.26 -3.58 135.00 132.91 2qi0 n PRO 79 Ca 0.00 -2.29 -0.39 0.00 -0.04 0.00 0.00 63.50 60.79 2qi0 n PRO 79 Cb 0.00 -2.70 -0.04 0.00 -0.04 0.00 0.00 33.50 30.72 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 1.52 3.57 0.56 0.52 -1.32 -1.26 -4.96 115.64 114.26 2qi0 s THR 80 Ca 0.67 1.40 0.27 0.00 -1.21 0.00 0.00 61.69 62.83 2qi0 s THR 80 Cb 0.20 -3.82 0.33 0.00 -1.51 0.00 0.00 72.50 67.70 2qi0 s THR 80 CO -0.06 0.20 2.22 -0.65 -2.21 0.00 0.00 174.62 174.11 2qi0 h PRO 81 N 3.20 0.00 -2.91 7.08 0.11 -1.98 -3.44 132.00 134.05 2qi0 h PRO 81 Ca -0.47 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 65.52 2qi0 h PRO 81 Cb 1.21 0.00 -0.20 0.00 0.11 0.00 0.00 31.00 32.12 2qi0 h PRO 81 CO 0.65 0.02 -0.22 0.54 -0.21 0.00 0.00 178.00 178.77 2qi0 s VAL 82 N -4.65 0.05 0.14 3.15 0.11 -1.26 -5.08 120.40 112.86 2qi0 s VAL 82 Ca -0.05 -0.41 -0.32 0.00 -2.93 0.00 0.00 61.98 58.27 2qi0 s VAL 82 Cb 0.15 -0.66 -0.11 0.00 -1.53 0.00 0.00 36.38 34.23 2qi0 s VAL 82 CO 0.57 -0.23 1.81 0.59 -3.33 0.00 0.00 175.10 174.51 2qi0 n ASN 83 N 1.26 4.00 -4.05 3.54 3.02 -1.26 -4.67 115.26 117.09 2qi0 n ASN 83 Ca -0.21 1.00 -0.24 0.00 -0.03 0.00 0.00 54.58 55.11 2qi0 n ASN 83 Cb 0.56 -1.54 -0.16 0.00 -0.61 0.00 0.00 39.78 38.03 2qi0 n ASN 83 CO 0.00 0.00 0.00 0.27 -2.62 0.00 0.00 177.26 174.91 2qi0 s ILE 84 N 2.38 1.12 -0.38 2.41 -4.36 0.14 -0.91 121.20 121.60 2qi0 s ILE 84 Ca 0.81 -0.52 -0.20 0.00 -0.26 0.00 0.00 60.65 60.48 2qi0 s ILE 84 Cb -0.50 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.23 2qi0 s ILE 84 CO 0.37 0.34 0.62 -0.63 0.24 0.00 0.00 174.94 175.87 2qi0 s ILE 85 N 0.30 4.89 0.22 8.37 -1.09 0.53 -1.62 121.20 132.81 2qi0 s ILE 85 Ca -0.07 0.41 0.01 0.00 -2.23 0.00 0.00 60.65 58.78 2qi0 s ILE 85 Cb -0.12 -4.10 0.04 0.00 -1.58 0.00 0.00 42.46 36.70 2qi0 s ILE 85 CO 0.02 -0.38 0.30 0.61 -1.23 0.00 0.00 174.94 174.26 2qi0 n GLY 86 N 4.79 1.29 0.26 6.18 0.00 -1.19 -1.40 105.19 115.13 2qi0 n GLY 86 Ca -0.02 -2.07 0.04 0.00 0.00 0.00 0.00 46.02 43.98 2qi0 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi0 h ARG 87 N 0.00 0.23 -0.50 1.61 3.08 -0.85 -1.57 114.38 116.38 2qi0 h ARG 87 Ca -0.10 -0.03 0.09 0.00 0.07 0.00 0.00 59.98 60.00 2qi0 h ARG 87 Cb 0.41 -0.04 -0.03 0.00 0.08 0.00 0.00 29.97 30.39 2qi0 h ARG 87 CO 0.12 0.27 0.34 -2.95 -1.07 0.00 0.00 179.97 176.68 2qi0 h ASN 88 N 0.23 0.28 0.00 7.04 -1.07 -1.79 -1.97 115.58 118.30 2qi0 h ASN 88 Ca 0.05 0.00 -0.36 0.00 0.07 0.00 0.00 56.30 56.06 2qi0 h ASN 88 Cb 0.19 -0.05 -0.07 0.00 -2.07 0.00 0.00 38.32 36.32 2qi0 h ASN 88 CO 0.01 0.17 -2.37 0.18 0.07 0.00 0.00 177.43 175.49 2qi0 n LEU 89 N -4.46 0.71 -0.34 6.14 4.77 -0.86 -4.05 117.00 118.91 2qi0 n LEU 89 Ca 0.08 -0.03 0.02 0.00 -0.03 0.00 0.00 56.01 56.04 2qi0 n LEU 89 Cb 0.35 0.16 0.16 0.00 -2.33 0.00 0.00 43.42 41.75 2qi0 n LEU 89 CO 0.35 0.59 1.23 -0.07 -1.33 0.00 0.00 177.39 178.16 2qi0 h LEU 90 N 0.00 0.95 -0.73 2.23 3.38 -1.16 -1.19 115.31 118.80 2qi0 h LEU 90 Ca -0.54 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 57.43 2qi0 h LEU 90 Cb 2.13 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 42.66 2qi0 h LEU 90 CO 0.00 0.61 0.39 0.71 0.09 0.00 0.00 178.44 180.24 2qi0 h THR 91 N 1.09 1.22 -0.52 0.22 1.35 -1.56 -0.17 112.91 114.54 2qi0 h THR 91 Ca 0.41 -0.57 -0.00 0.00 -0.55 0.00 0.00 66.41 65.69 2qi0 h THR 91 Cb 0.16 0.27 -0.03 0.00 -1.73 0.00 0.00 68.15 66.83 2qi0 h THR 91 CO -0.17 0.25 0.32 1.56 -0.25 0.00 0.00 175.52 177.22 2qi0 h GLN 92 N 1.00 0.69 -0.24 4.72 4.20 -1.38 -2.05 115.11 122.05 2qi0 h GLN 92 Ca 0.25 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.91 2qi0 h GLN 92 Cb 0.05 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.68 2qi0 h GLN 92 CO -0.04 0.49 0.00 0.44 -0.67 0.00 0.00 178.83 179.05 2qi0 n ILE 93 N -4.43 0.31 -1.77 2.54 -5.35 -0.84 -4.93 119.36 104.90 2qi0 n ILE 93 Ca 0.05 -0.44 0.00 0.00 -0.27 0.00 0.00 62.75 62.09 2qi0 n ILE 93 Cb 0.07 0.43 0.00 0.00 -1.74 0.00 0.00 39.64 38.40 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 1.18 0.38 3.70 3.28 0.00 -0.77 -5.01 105.19 107.95 2qi0 n GLY 94 Ca 0.16 -0.93 -0.41 0.00 0.00 0.00 0.00 46.02 44.84 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 1.38 1.57 0.02 0.00 -4.23 -1.26 -4.60 115.64 108.52 2qi0 s THR 96 Ca 0.44 -2.15 -0.07 0.00 -1.18 0.00 0.00 61.69 58.73 2qi0 s THR 96 Cb -0.19 -2.19 -0.05 0.00 1.34 0.00 0.00 72.50 71.41 2qi0 s THR 96 CO 0.20 -0.48 0.29 -0.76 -0.54 0.00 0.00 174.62 173.33 2qi0 s LEU 97 N -3.34 4.37 -0.10 4.79 1.43 -1.26 -5.10 118.68 119.47 2qi0 s LEU 97 Ca 0.25 0.60 -0.05 0.00 -1.03 0.00 0.00 54.13 53.90 2qi0 s LEU 97 Cb 0.02 -2.71 0.04 0.00 0.03 0.00 0.00 46.19 43.57 2qi0 s LEU 97 CO 0.08 0.24 0.23 0.20 0.23 0.00 0.00 176.35 177.34 2qi0 s ASN 98 N -1.69 -0.24 0.00 2.29 0.01 -1.26 -5.29 114.94 108.76 2qi0 s ASN 98 Ca 0.28 0.49 0.00 0.00 -0.71 0.00 0.00 52.86 52.92 2qi0 s ASN 98 Cb -0.13 0.39 0.00 0.00 0.41 0.00 0.00 41.25 41.91 2qi0 s ASN 98 CO 0.16 -0.16 0.00 2.22 -1.51 0.00 0.00 177.10 177.81