#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi6 s GLN 2 N 0.00 4.14 -0.17 0.54 0.74 -1.26 -5.09 119.66 118.55 2qi6 s GLN 2 Ca 0.00 -0.25 0.01 0.00 0.05 0.00 0.00 55.36 55.17 2qi6 s GLN 2 Cb 0.00 -3.38 0.02 0.00 1.10 0.00 0.00 33.01 30.75 2qi6 s GLN 2 CO 0.00 0.28 -0.19 0.42 -0.55 0.00 0.00 175.29 175.25 2qi6 s ILE 3 N 0.39 1.98 0.74 -2.34 1.01 -1.26 -5.12 121.20 116.61 2qi6 s ILE 3 Ca 0.07 -0.89 -0.08 0.00 0.00 0.00 0.00 60.65 59.74 2qi6 s ILE 3 Cb -0.11 -1.80 0.08 0.00 0.01 0.00 0.00 42.46 40.63 2qi6 s ILE 3 CO -0.01 0.53 1.07 0.42 0.00 0.00 0.00 174.94 176.94 2qi6 s THR 4 N 1.30 2.19 -0.13 2.92 -4.23 -1.26 -5.04 115.64 111.40 2qi6 s THR 4 Ca 0.05 -0.21 0.18 0.00 -1.18 0.00 0.00 61.69 60.52 2qi6 s THR 4 Cb -0.13 -2.98 0.28 0.00 1.34 0.00 0.00 72.50 71.01 2qi6 s THR 4 CO -0.12 0.00 1.15 0.18 -0.54 0.00 0.00 174.62 175.28 2qi6 n LEU 5 N -3.06 2.25 0.23 4.79 4.77 -1.26 -4.53 117.00 120.20 2qi6 n LEU 5 Ca 0.09 -3.03 0.11 0.00 -0.03 0.00 0.00 56.01 53.14 2qi6 n LEU 5 Cb 0.61 -0.41 0.52 0.00 -2.33 0.00 0.00 43.42 41.80 2qi6 n LEU 5 CO 0.52 0.73 0.85 -0.50 -1.33 0.00 0.00 177.39 177.66 2qi6 h TRP 6 N 0.06 0.00 -2.25 -1.77 6.55 -2.07 -3.43 115.95 113.04 2qi6 h TRP 6 Ca -0.00 0.00 -0.61 0.00 0.95 0.00 0.00 58.89 59.23 2qi6 h TRP 6 Cb 1.02 0.00 -0.14 0.00 -0.86 0.00 0.00 29.16 29.18 2qi6 h TRP 6 CO 0.05 0.18 -0.76 0.15 -1.05 0.00 0.00 178.44 177.01 2qi6 s LYS 7 N -3.72 1.67 0.23 0.49 -0.14 -1.26 -5.11 119.74 111.90 2qi6 s LYS 7 Ca 0.00 -1.76 -0.32 0.00 -1.36 0.00 0.00 55.97 52.54 2qi6 s LYS 7 Cb 0.10 -1.77 -0.12 0.00 -1.68 0.00 0.00 37.83 34.36 2qi6 s LYS 7 CO 0.62 0.33 1.67 0.54 -0.76 0.00 0.00 175.35 177.75 2qi6 n ARG 8 N -0.58 2.70 -1.31 1.68 1.74 -1.26 -4.86 116.66 114.76 2qi6 n ARG 8 Ca -0.05 0.97 -0.41 0.00 -0.77 0.00 0.00 57.85 57.59 2qi6 n ARG 8 Cb 0.60 -2.79 -0.03 0.00 -1.02 0.00 0.00 32.46 29.22 2qi6 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi6 n PRO 9 N 3.36 2.09 -3.12 5.56 -0.04 -1.26 -4.92 135.00 136.67 2qi6 n PRO 9 Ca 0.14 -2.07 -0.39 0.00 -0.04 0.00 0.00 63.50 61.14 2qi6 n PRO 9 Cb 0.35 -2.99 -0.05 0.00 -0.04 0.00 0.00 33.50 30.77 2qi6 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi6 s LEU 10 N 1.35 4.37 0.14 1.53 1.43 -1.26 -1.31 118.68 124.92 2qi6 s LEU 10 Ca 0.53 1.18 0.06 0.00 -1.03 0.00 0.00 54.13 54.87 2qi6 s LEU 10 Cb 0.14 -3.01 -0.04 0.00 0.03 0.00 0.00 46.19 43.31 2qi6 s LEU 10 CO 0.03 -0.01 -0.13 0.68 0.23 0.00 0.00 176.35 177.15 2qi6 s VAL 11 N 0.30 1.34 0.02 -1.59 -7.23 0.44 -4.94 120.40 108.75 2qi6 s VAL 11 Ca 0.34 -1.86 -0.28 0.00 -1.81 0.00 0.00 61.98 58.38 2qi6 s VAL 11 Cb -0.18 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2qi6 s VAL 11 CO 0.18 -0.52 0.89 -0.89 -0.31 0.00 0.00 175.10 174.45 2qi6 s THR 12 N -2.51 4.79 0.17 5.32 2.01 -1.26 -1.04 115.64 123.12 2qi6 s THR 12 Ca 0.12 1.88 0.10 0.00 0.31 0.00 0.00 61.69 64.10 2qi6 s THR 12 Cb -0.03 -4.24 -0.04 0.00 0.01 0.00 0.00 72.50 68.21 2qi6 s THR 12 CO 0.03 0.25 -0.19 0.27 -0.69 0.00 0.00 174.62 174.29 2qi6 s ILE 13 N 0.54 2.68 -0.17 1.82 -4.36 0.81 -1.89 121.20 120.63 2qi6 s ILE 13 Ca 0.46 -1.81 -0.01 0.00 -0.26 0.00 0.00 60.65 59.03 2qi6 s ILE 13 Cb -0.21 -2.28 -0.00 0.00 1.25 0.00 0.00 42.46 41.21 2qi6 s ILE 13 CO 0.26 -0.06 -0.12 -0.60 0.24 0.00 0.00 174.94 174.65 2qi6 s ARG 14 N -2.58 3.27 -0.09 0.37 3.52 0.25 -1.58 118.95 122.12 2qi6 s ARG 14 Ca 0.21 -0.71 -0.03 0.00 -0.13 0.00 0.00 55.73 55.07 2qi6 s ARG 14 Cb -0.09 -2.73 0.05 0.00 -1.56 0.00 0.00 34.95 30.62 2qi6 s ARG 14 CO 0.11 -0.03 0.16 -1.50 -0.81 0.00 0.00 175.30 173.23 2qi6 s ILE 15 N 0.97 -0.26 -1.51 4.11 2.07 -0.57 -1.38 121.20 124.64 2qi6 s ILE 15 Ca -0.02 0.34 -0.05 0.00 -1.41 0.00 0.00 60.65 59.51 2qi6 s ILE 15 Cb -0.15 -0.30 0.02 0.00 0.13 0.00 0.00 42.46 42.16 2qi6 s ILE 15 CO -0.02 0.14 0.57 0.61 -1.91 0.00 0.00 174.94 174.34 2qi6 n GLY 16 N 5.26 -0.52 2.58 1.50 0.00 -1.26 -1.75 105.19 111.00 2qi6 n GLY 16 Ca -0.06 0.12 0.00 0.00 0.00 0.00 0.00 46.02 46.08 2qi6 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi6 n GLY 17 N -1.44 0.49 3.65 -0.02 0.00 -1.26 -5.00 105.19 101.61 2qi6 n GLY 17 Ca -0.10 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 2qi6 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi6 s GLN 18 N -0.43 2.89 -0.14 1.61 -1.52 -0.72 -5.11 119.66 116.24 2qi6 s GLN 18 Ca 0.00 -0.47 -0.11 0.00 -1.95 0.00 0.00 55.36 52.83 2qi6 s GLN 18 Cb 0.00 -2.72 -0.05 0.00 -0.22 0.00 0.00 33.01 30.03 2qi6 s GLN 18 CO 0.00 0.69 0.22 -0.51 -0.25 0.00 0.00 175.29 175.43 2qi6 s LEU 19 N -0.90 4.31 0.08 2.90 1.43 -1.26 -1.51 118.68 123.73 2qi6 s LEU 19 Ca 0.13 0.47 0.01 0.00 -1.03 0.00 0.00 54.13 53.72 2qi6 s LEU 19 Cb -0.11 -2.23 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 2qi6 s LEU 19 CO 0.02 0.24 -0.06 -0.54 0.23 0.00 0.00 176.35 176.25 2qi6 s LYS 20 N -0.20 0.77 -0.16 1.70 1.02 -0.61 -4.98 119.74 117.28 2qi6 s LYS 20 Ca 0.15 -1.28 -0.08 0.00 0.02 0.00 0.00 55.97 54.77 2qi6 s LYS 20 Cb -0.13 -0.11 -0.04 0.00 -0.52 0.00 0.00 37.83 37.03 2qi6 s LYS 20 CO 0.03 -0.04 0.14 -1.21 -0.92 0.00 0.00 175.35 173.35 2qi6 s GLU 21 N -3.76 3.78 0.03 1.68 0.41 -1.26 -0.13 118.70 119.45 2qi6 s GLU 21 Ca 0.10 -0.17 -0.00 0.00 -0.41 0.00 0.00 54.97 54.49 2qi6 s GLU 21 Cb 0.05 -3.29 -0.03 0.00 -1.78 0.00 0.00 34.13 29.08 2qi6 s GLU 21 CO -0.06 0.56 -0.03 0.00 -0.49 0.00 0.00 175.26 175.24 2qi6 s ALA 22 N -0.40 0.28 -0.22 5.21 0.00 -0.20 -4.61 121.76 121.82 2qi6 s ALA 22 Ca 0.12 -0.84 -0.13 0.00 0.00 0.00 0.00 51.96 51.11 2qi6 s ALA 22 Cb -0.12 0.20 -0.05 0.00 0.00 0.00 0.00 23.12 23.16 2qi6 s ALA 22 CO 0.01 -0.24 0.26 -1.17 0.00 0.00 0.00 175.76 174.62 2qi6 s LEU 23 N -2.05 4.13 -0.26 0.00 2.96 -0.05 -0.42 118.68 122.99 2qi6 s LEU 23 Ca -0.07 0.28 -0.29 0.00 -0.22 0.00 0.00 54.13 53.83 2qi6 s LEU 23 Cb -0.03 -2.28 -0.01 0.00 0.50 0.00 0.00 46.19 44.37 2qi6 s LEU 23 CO -0.05 0.00 1.47 -0.76 -1.32 0.00 0.00 176.35 175.70 2qi6 s LEU 24 N 1.17 3.88 -0.45 -0.68 1.43 -0.43 -0.11 118.68 123.50 2qi6 s LEU 24 Ca 0.12 1.43 0.02 0.00 -1.03 0.00 0.00 54.13 54.67 2qi6 s LEU 24 Cb -0.14 -3.54 0.13 0.00 0.03 0.00 0.00 46.19 42.68 2qi6 s LEU 24 CO 0.06 -1.18 0.24 -0.62 0.23 0.00 0.00 176.35 175.08 2qi6 s ASP 25 N 3.59 3.73 0.58 2.29 -1.08 -0.17 -4.79 116.67 120.82 2qi6 s ASP 25 Ca 0.65 -2.66 0.36 0.00 -0.52 0.00 0.00 52.55 50.37 2qi6 s ASP 25 Cb -0.21 -1.10 1.68 0.00 -1.46 0.00 0.00 42.92 41.83 2qi6 s ASP 25 CO 0.26 -0.26 2.11 0.71 0.52 0.00 0.00 175.17 178.51 2qi6 h THR 26 N 5.29 0.11 -0.00 1.71 1.35 -1.93 -1.82 112.91 117.61 2qi6 h THR 26 Ca -0.02 -0.39 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 2qi6 h THR 26 Cb 0.92 1.35 0.00 0.00 -1.73 0.00 0.00 68.15 68.69 2qi6 h THR 26 CO 0.51 0.03 -0.01 0.61 -0.25 0.00 0.00 175.52 176.40 2qi6 n GLY 27 N -0.39 -0.93 3.57 5.82 0.00 -1.26 -4.79 105.19 107.21 2qi6 n GLY 27 Ca -0.01 -0.22 -0.35 0.00 0.00 0.00 0.00 46.02 45.44 2qi6 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi6 s ALA 28 N -2.14 3.29 0.23 4.61 0.00 -0.69 -4.99 121.76 122.07 2qi6 s ALA 28 Ca 0.42 -0.84 0.02 0.00 0.00 0.00 0.00 51.96 51.57 2qi6 s ALA 28 Cb 0.21 -1.89 0.22 0.00 0.00 0.00 0.00 23.12 21.66 2qi6 s ALA 28 CO 0.39 0.04 1.55 -0.44 0.00 0.00 0.00 175.76 177.31 2qi6 h ASP 29 N 7.02 0.36 -2.19 0.00 3.32 -1.86 0.71 116.42 123.77 2qi6 h ASP 29 Ca -0.36 -0.20 -0.58 0.00 0.02 0.00 0.00 57.03 55.91 2qi6 h ASP 29 Cb 1.17 -0.10 -0.11 0.00 0.22 0.00 0.00 39.33 40.51 2qi6 h ASP 29 CO 0.66 0.86 -0.68 -1.81 -1.72 0.00 0.00 179.24 176.55 2qi6 s ASP 30 N -6.90 4.19 -0.24 6.45 1.01 -1.26 -2.73 116.67 117.18 2qi6 s ASP 30 Ca -0.05 -0.80 -0.15 0.00 0.71 0.00 0.00 52.55 52.26 2qi6 s ASP 30 Cb 0.12 -0.63 -0.04 0.00 1.01 0.00 0.00 42.92 43.38 2qi6 s ASP 30 CO 0.81 0.00 0.38 -0.89 0.21 0.00 0.00 175.17 175.68 2qi6 s THR 31 N -2.40 5.18 -0.11 -1.27 2.01 -1.26 -2.94 115.64 114.85 2qi6 s THR 31 Ca 0.31 0.62 -0.00 0.00 0.31 0.00 0.00 61.69 62.93 2qi6 s THR 31 Cb -0.06 -3.71 0.02 0.00 0.01 0.00 0.00 72.50 68.77 2qi6 s THR 31 CO 0.18 0.19 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.53 2qi6 s VAL 32 N 1.78 1.05 0.08 3.82 1.01 -0.46 -1.04 120.40 126.64 2qi6 s VAL 32 Ca 0.16 -0.32 0.06 0.00 0.00 0.00 0.00 61.98 61.89 2qi6 s VAL 32 Cb -0.15 -1.06 -0.04 0.00 0.00 0.00 0.00 36.38 35.13 2qi6 s VAL 32 CO 0.09 0.37 -0.09 -0.76 0.00 0.00 0.00 175.10 174.70 2qi6 s LEU 33 N 1.59 3.05 0.99 3.92 1.43 0.93 -0.75 118.68 129.84 2qi6 s LEU 33 Ca 0.03 -0.33 -0.11 0.00 -1.03 0.00 0.00 54.13 52.69 2qi6 s LEU 33 Cb -0.13 -1.82 0.19 0.00 0.03 0.00 0.00 46.19 44.45 2qi6 s LEU 33 CO -0.07 0.21 1.10 -1.61 0.23 0.00 0.00 176.35 176.20 2qi6 s GLU 34 N -1.97 0.45 0.09 1.70 2.02 -1.26 -1.29 118.70 118.44 2qi6 s GLU 34 Ca 0.20 1.21 -0.36 0.00 0.02 0.00 0.00 54.97 56.04 2qi6 s GLU 34 Cb -0.11 -1.69 -0.17 0.00 0.10 0.00 0.00 34.13 32.26 2qi6 s GLU 34 CO 0.12 -2.91 1.26 -1.91 0.02 0.00 0.00 175.26 171.84 2qi6 n GLU 35 N -4.39 0.96 -3.53 1.61 4.07 -1.25 -4.57 120.64 113.54 2qi6 n GLU 35 Ca 0.08 0.34 -0.08 0.00 -0.06 0.00 0.00 57.16 57.44 2qi6 n GLU 35 Cb 0.53 -1.93 -0.02 0.00 -0.06 0.00 0.00 31.44 29.96 2qi6 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2qi6 s MET 36 N 0.25 0.91 -0.13 5.31 0.23 -1.26 -5.05 119.30 119.56 2qi6 s MET 36 Ca 0.83 -0.36 -0.18 0.00 -1.03 0.00 0.00 55.69 54.95 2qi6 s MET 36 Cb -0.99 0.40 -0.04 0.00 -1.53 0.00 0.00 34.83 32.68 2qi6 s MET 36 CO 0.49 -0.40 0.46 -0.80 -2.03 0.00 0.00 175.02 172.75 2qi6 s ASN 37 N -2.56 6.66 0.06 -1.18 0.02 -1.26 -5.05 114.94 111.63 2qi6 s ASN 37 Ca 0.05 0.78 0.06 0.00 -1.02 0.00 0.00 52.86 52.74 2qi6 s ASN 37 Cb -0.01 -2.28 -0.03 0.00 0.02 0.00 0.00 41.25 38.95 2qi6 s ASN 37 CO -0.08 -0.00 -0.17 -0.76 0.02 0.00 0.00 177.10 176.11 2qi6 s LEU 38 N 0.67 2.23 0.56 0.60 1.43 -1.26 -5.08 118.68 117.83 2qi6 s LEU 38 Ca 0.25 -0.56 -0.15 0.00 -1.03 0.00 0.00 54.13 52.63 2qi6 s LEU 38 Cb -0.15 -0.74 -0.05 0.00 0.03 0.00 0.00 46.19 45.28 2qi6 s LEU 38 CO 0.10 0.05 1.02 -2.84 0.23 0.00 0.00 176.35 174.90 2qi6 s PRO 39 N -1.47 3.63 0.00 1.29 0.02 -1.26 -4.97 135.00 132.23 2qi6 s PRO 39 Ca 0.03 1.03 0.00 0.00 0.02 0.00 0.00 61.00 62.08 2qi6 s PRO 39 Cb -0.09 -2.08 0.00 0.00 0.02 0.00 0.00 34.50 32.35 2qi6 s PRO 39 CO 0.02 -0.54 0.00 0.41 -0.33 0.00 0.00 177.00 176.56 2qi6 n GLY 40 N -1.48 -4.31 3.76 0.52 0.00 -1.26 -4.96 105.19 97.45 2qi6 n GLY 40 Ca 0.07 -2.12 -0.40 0.00 0.00 0.00 0.00 46.02 43.57 2qi6 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi6 s LYS 41 N -0.99 4.63 0.29 1.61 0.00 -1.26 -5.06 119.74 118.95 2qi6 s LYS 41 Ca 0.00 1.82 0.08 0.00 0.00 0.00 0.00 55.97 57.87 2qi6 s LYS 41 Cb 0.00 -3.19 -0.06 0.00 0.00 0.00 0.00 37.83 34.59 2qi6 s LYS 41 CO 0.00 0.20 -0.11 1.67 0.00 0.00 0.00 175.35 177.11 2qi6 s TRP 42 N -1.16 2.09 -0.04 1.78 1.48 -1.26 -4.62 118.94 117.21 2qi6 s TRP 42 Ca 0.45 -0.56 0.07 0.00 -1.06 0.00 0.00 56.10 54.99 2qi6 s TRP 42 Cb -0.32 -1.12 -0.02 0.00 -1.16 0.00 0.00 33.47 30.86 2qi6 s TRP 42 CO 0.41 0.45 -0.25 0.15 -4.06 0.00 0.00 176.95 173.65 2qi6 s LYS 43 N -3.65 2.33 0.26 3.25 -0.14 -0.27 -4.88 119.74 116.64 2qi6 s LYS 43 Ca 0.29 -0.91 -0.30 0.00 -1.36 0.00 0.00 55.97 53.69 2qi6 s LYS 43 Cb 0.01 -2.11 -0.11 0.00 -1.68 0.00 0.00 37.83 33.95 2qi6 s LYS 43 CO 0.13 0.48 1.53 -2.14 -0.76 0.00 0.00 175.35 174.58 2qi6 s PRO 44 N -0.41 4.20 0.03 -1.68 0.02 -1.26 -0.07 135.00 135.83 2qi6 s PRO 44 Ca 0.04 2.43 -0.03 0.00 0.02 0.00 0.00 61.00 63.46 2qi6 s PRO 44 Cb -0.12 -3.08 -0.02 0.00 0.02 0.00 0.00 34.50 31.31 2qi6 s PRO 44 CO 0.01 -0.54 0.03 0.21 -0.33 0.00 0.00 177.00 176.38 2qi6 s LYS 45 N -0.22 0.47 -0.04 5.54 2.20 -0.61 -4.89 119.74 122.19 2qi6 s LYS 45 Ca 0.63 -0.73 0.07 0.00 -0.36 0.00 0.00 55.97 55.58 2qi6 s LYS 45 Cb -0.45 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.03 2qi6 s LYS 45 CO 0.43 -0.10 -0.24 -1.64 -0.36 0.00 0.00 175.35 173.44 2qi6 s MET 46 N -2.21 2.29 0.11 4.03 -1.94 -1.26 -0.61 119.30 119.72 2qi6 s MET 46 Ca -0.09 -0.89 0.05 0.00 -1.71 0.00 0.00 55.69 53.04 2qi6 s MET 46 Cb -0.04 -2.12 -0.04 0.00 2.01 0.00 0.00 34.83 34.64 2qi6 s MET 46 CO -0.03 0.51 -0.12 0.96 -0.01 0.00 0.00 175.02 176.34 2qi6 s ILE 47 N -0.49 1.09 -0.07 2.53 -4.36 -0.76 -4.98 121.20 114.17 2qi6 s ILE 47 Ca 0.06 -1.68 0.02 0.00 -0.26 0.00 0.00 60.65 58.79 2qi6 s ILE 47 Cb -0.11 -1.43 -0.02 0.00 1.25 0.00 0.00 42.46 42.14 2qi6 s ILE 47 CO 0.01 -0.51 -0.12 -0.83 0.24 0.00 0.00 174.94 173.72 2qi6 s GLY 48 N -2.46 1.57 0.00 6.27 0.00 -1.26 -1.03 107.32 110.40 2qi6 s GLY 48 Ca 0.07 -0.94 0.00 0.00 0.00 0.00 0.00 44.72 43.85 2qi6 s GLY 48 CO 0.01 -0.61 0.00 0.61 0.00 0.00 0.00 173.10 173.12 2qi6 n GLY 49 N 2.59 7.02 0.25 0.20 0.00 0.07 -4.99 105.19 110.32 2qi6 n GLY 49 Ca -0.17 -1.85 0.03 0.00 0.00 0.00 0.00 46.02 44.02 2qi6 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qi6 h ILE 50 N 0.02 1.15 -0.13 -0.61 2.10 -2.02 -3.06 117.51 114.96 2qi6 h ILE 50 Ca 0.00 -0.65 0.00 0.00 1.08 0.00 0.00 64.86 65.29 2qi6 h ILE 50 Cb 0.00 1.14 0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2qi6 h ILE 50 CO 0.00 0.21 0.00 0.61 -1.08 0.00 0.00 178.15 177.89 2qi6 n GLY 51 N -0.99 1.15 0.00 8.18 0.00 -1.26 -5.07 105.19 107.20 2qi6 n GLY 51 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 46.02 45.32 2qi6 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi6 n GLY 52 N 1.39 0.65 3.67 -0.02 0.00 -1.16 -5.09 105.19 104.62 2qi6 n GLY 52 Ca 0.16 -2.08 -0.31 0.00 0.00 0.00 0.00 46.02 43.78 2qi6 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi6 s PHE 53 N -1.20 2.99 0.16 1.61 0.40 -1.26 -0.75 117.98 119.92 2qi6 s PHE 53 Ca 0.00 -0.01 0.04 0.00 -0.60 0.00 0.00 56.93 56.36 2qi6 s PHE 53 Cb 0.00 -1.57 -0.05 0.00 0.51 0.00 0.00 43.02 41.91 2qi6 s PHE 53 CO 0.00 0.46 -0.08 0.96 0.70 0.00 0.00 175.22 177.26 2qi6 s ILE 54 N -1.21 1.10 -0.06 0.64 -4.36 -0.20 -4.98 121.20 112.12 2qi6 s ILE 54 Ca 0.23 -2.05 -0.15 0.00 -0.26 0.00 0.00 60.65 58.42 2qi6 s ILE 54 Cb -0.12 -1.92 -0.05 0.00 1.25 0.00 0.00 42.46 41.63 2qi6 s ILE 54 CO 0.15 -0.69 0.40 -0.54 0.24 0.00 0.00 174.94 174.50 2qi6 s LYS 55 N -3.78 4.06 0.24 0.37 1.02 -1.26 -1.82 119.74 118.58 2qi6 s LYS 55 Ca 0.18 0.36 0.04 0.00 0.02 0.00 0.00 55.97 56.57 2qi6 s LYS 55 Cb 0.03 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.98 2qi6 s LYS 55 CO 0.01 0.49 -0.00 0.14 -0.92 0.00 0.00 175.35 175.07 2qi6 s VAL 56 N -0.41 1.10 -0.21 3.17 -7.23 0.23 -4.48 120.40 112.58 2qi6 s VAL 56 Ca 0.23 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.27 2qi6 s VAL 56 Cb -0.16 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 2qi6 s VAL 56 CO 0.11 -0.29 0.09 -0.13 -0.31 0.00 0.00 175.10 174.58 2qi6 s ARG 57 N -3.85 3.98 -0.32 4.82 0.52 0.33 -1.58 118.95 122.86 2qi6 s ARG 57 Ca 0.29 -0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.06 2qi6 s ARG 57 Cb 0.06 -3.33 -0.03 0.00 0.52 0.00 0.00 34.95 32.17 2qi6 s ARG 57 CO 0.10 0.17 0.21 -1.14 0.02 0.00 0.00 175.30 174.66 2qi6 s GLN 58 N 0.69 3.65 -0.18 3.54 0.74 0.90 -0.92 119.66 128.08 2qi6 s GLN 58 Ca 0.05 -0.53 -0.04 0.00 0.05 0.00 0.00 55.36 54.89 2qi6 s GLN 58 Cb -0.13 -3.73 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2qi6 s GLN 58 CO 0.02 -0.34 -0.03 0.71 -0.55 0.00 0.00 175.29 175.09 2qi6 s TYR 59 N 1.73 3.00 0.12 1.67 1.51 -0.28 -1.11 117.35 124.00 2qi6 s TYR 59 Ca 0.06 -0.50 0.02 0.00 -1.01 0.00 0.00 57.07 55.65 2qi6 s TYR 59 Cb -0.17 -2.03 -0.04 0.00 -0.11 0.00 0.00 41.96 39.62 2qi6 s TYR 59 CO 0.10 -0.22 0.24 -0.51 -1.11 0.00 0.00 175.55 174.05 2qi6 s ASP 60 N 0.82 6.22 -1.29 2.29 1.01 -1.26 -0.96 116.67 123.49 2qi6 s ASP 60 Ca -0.01 0.16 -0.03 0.00 0.71 0.00 0.00 52.55 53.38 2qi6 s ASP 60 Cb -0.14 -1.85 0.01 0.00 1.01 0.00 0.00 42.92 41.94 2qi6 s ASP 60 CO 0.02 0.09 0.97 0.00 0.21 0.00 0.00 175.17 176.46 2qi6 n GLN 61 N -0.27 -6.43 -3.53 8.23 1.13 -1.13 -4.90 117.38 110.48 2qi6 n GLN 61 Ca -0.07 0.77 -0.38 0.00 -1.94 0.00 0.00 57.00 55.38 2qi6 n GLN 61 Cb 0.53 -5.67 -0.10 0.00 0.11 0.00 0.00 30.24 25.11 2qi6 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi6 s ILE 62 N -3.42 5.27 0.16 5.09 -1.09 0.01 -4.68 121.20 122.54 2qi6 s ILE 62 Ca 0.20 0.35 -0.31 0.00 -2.23 0.00 0.00 60.65 58.66 2qi6 s ILE 62 Cb -0.09 -3.59 -0.10 0.00 -1.58 0.00 0.00 42.46 37.10 2qi6 s ILE 62 CO 0.76 0.26 1.53 -2.84 -1.23 0.00 0.00 174.94 173.41 2qi6 s PRO 63 N 1.56 4.24 -0.02 2.79 0.02 -1.26 -1.64 135.00 140.69 2qi6 s PRO 63 Ca 0.11 2.30 0.02 0.00 0.02 0.00 0.00 61.00 63.45 2qi6 s PRO 63 Cb -0.15 -3.17 0.00 0.00 0.02 0.00 0.00 34.50 31.20 2qi6 s PRO 63 CO 0.08 -0.57 -0.07 0.42 -0.33 0.00 0.00 177.00 176.54 2qi6 s ILE 64 N 1.09 0.58 -0.28 2.83 1.01 -0.25 -4.53 121.20 121.64 2qi6 s ILE 64 Ca 0.68 -0.26 -0.10 0.00 0.00 0.00 0.00 60.65 60.98 2qi6 s ILE 64 Cb -0.42 -0.53 -0.03 0.00 0.01 0.00 0.00 42.46 41.49 2qi6 s ILE 64 CO 0.31 0.19 0.15 -0.70 0.00 0.00 0.00 174.94 174.89 2qi6 s GLU 65 N 0.19 3.67 -0.37 2.79 2.12 -0.48 -0.79 118.70 125.84 2qi6 s GLU 65 Ca -0.02 -0.49 -0.05 0.00 0.36 0.00 0.00 54.97 54.76 2qi6 s GLU 65 Cb -0.07 -3.54 0.07 0.00 0.26 0.00 0.00 34.13 30.85 2qi6 s GLU 65 CO -0.00 -0.26 0.15 0.42 -0.54 0.00 0.00 175.26 175.03 2qi6 s ILE 66 N 1.68 3.60 -1.49 -3.70 1.01 0.45 -0.58 121.20 122.16 2qi6 s ILE 66 Ca 0.06 -1.49 -0.13 0.00 0.00 0.00 0.00 60.65 59.09 2qi6 s ILE 66 Cb -0.16 -3.20 0.07 0.00 0.01 0.00 0.00 42.46 39.18 2qi6 s ILE 66 CO 0.07 -0.38 1.01 0.00 0.00 0.00 0.00 174.94 175.65 2qi6 n GLY 68 N -1.75 0.87 3.48 0.00 0.00 -1.26 -5.01 105.19 101.52 2qi6 n GLY 68 Ca 0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.72 2qi6 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi6 s HIS 69 N -3.21 2.98 0.05 1.61 4.02 -0.41 -5.09 115.29 115.25 2qi6 s HIS 69 Ca 0.00 -0.35 -0.25 0.00 1.02 0.00 0.00 55.06 55.48 2qi6 s HIS 69 Cb 0.00 -1.93 -0.06 0.00 -1.02 0.00 0.00 32.58 29.58 2qi6 s HIS 69 CO 0.00 -0.05 0.78 0.15 1.02 0.00 0.00 174.74 176.64 2qi6 s LYS 70 N 0.32 4.51 0.08 1.40 1.02 -1.26 -0.41 119.74 125.39 2qi6 s LYS 70 Ca -0.05 1.10 0.05 0.00 0.02 0.00 0.00 55.97 57.08 2qi6 s LYS 70 Cb -0.14 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.77 2qi6 s LYS 70 CO 0.03 0.29 -0.12 0.00 -0.92 0.00 0.00 175.35 174.63 2qi6 s ALA 71 N -0.09 1.14 -0.11 5.17 0.00 0.03 -4.65 121.76 123.24 2qi6 s ALA 71 Ca 0.39 -1.07 -0.02 0.00 0.00 0.00 0.00 51.96 51.26 2qi6 s ALA 71 Cb -0.21 -0.05 0.04 0.00 0.00 0.00 0.00 23.12 22.91 2qi6 s ALA 71 CO 0.24 0.08 0.03 0.42 0.00 0.00 0.00 175.76 176.53 2qi6 s ILE 72 N -1.71 0.29 0.00 0.00 1.01 -1.26 -1.10 121.20 118.44 2qi6 s ILE 72 Ca 0.01 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2qi6 s ILE 72 Cb -0.07 -0.62 0.00 0.00 0.01 0.00 0.00 42.46 41.77 2qi6 s ILE 72 CO 0.02 0.05 0.00 0.61 0.00 0.00 0.00 174.94 175.62 2qi6 n GLY 73 N 5.16 1.11 3.71 6.18 0.00 -0.65 -4.78 105.19 115.91 2qi6 n GLY 73 Ca -0.07 -0.69 -0.42 0.00 0.00 0.00 0.00 46.02 44.84 2qi6 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi6 s THR 74 N -2.23 4.60 -0.09 2.61 2.01 -1.26 -0.81 115.64 120.46 2qi6 s THR 74 Ca 0.00 1.87 0.03 0.00 0.31 0.00 0.00 61.69 63.90 2qi6 s THR 74 Cb 0.00 -4.20 0.01 0.00 0.01 0.00 0.00 72.50 68.32 2qi6 s THR 74 CO 0.00 0.11 -0.18 -0.69 -0.69 0.00 0.00 174.62 173.17 2qi6 s VAL 75 N 1.27 1.65 -0.11 3.82 1.01 -0.13 -4.46 120.40 123.44 2qi6 s VAL 75 Ca 0.53 -0.77 -0.05 0.00 0.00 0.00 0.00 61.98 61.69 2qi6 s VAL 75 Cb -0.23 -1.46 -0.04 0.00 0.00 0.00 0.00 36.38 34.65 2qi6 s VAL 75 CO 0.26 0.47 0.08 -0.76 0.00 0.00 0.00 175.10 175.15 2qi6 s LEU 76 N 0.58 4.04 -0.11 3.92 1.43 -0.21 -1.12 118.68 127.20 2qi6 s LEU 76 Ca -0.15 0.31 0.03 0.00 -1.03 0.00 0.00 54.13 53.29 2qi6 s LEU 76 Cb -0.17 -1.97 0.01 0.00 0.03 0.00 0.00 46.19 44.09 2qi6 s LEU 76 CO 0.05 0.37 -0.21 -0.69 0.23 0.00 0.00 176.35 176.11 2qi6 s VAL 77 N -0.82 1.86 -1.63 -1.59 1.01 -0.10 -0.05 120.40 119.08 2qi6 s VAL 77 Ca 0.13 -0.88 0.00 0.00 0.00 0.00 0.00 61.98 61.23 2qi6 s VAL 77 Cb -0.12 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.62 2qi6 s VAL 77 CO 0.03 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.25 2qi6 n GLY 78 N 3.86 -1.32 2.26 4.51 0.00 -0.41 -0.51 105.19 113.59 2qi6 n GLY 78 Ca -0.20 -0.95 -0.19 0.00 0.00 0.00 0.00 46.02 44.68 2qi6 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi6 n PRO 79 N -0.02 2.16 -2.38 1.61 -0.04 -1.26 -3.88 135.00 131.19 2qi6 n PRO 79 Ca 0.00 -1.25 -0.38 0.00 -0.04 0.00 0.00 63.50 61.83 2qi6 n PRO 79 Cb 0.00 -2.22 -0.03 0.00 -0.04 0.00 0.00 33.50 31.21 2qi6 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi6 s THR 80 N 2.03 3.35 0.45 0.52 -1.32 -1.26 -4.95 115.64 114.46 2qi6 s THR 80 Ca 0.54 1.14 0.27 0.00 -1.21 0.00 0.00 61.69 62.43 2qi6 s THR 80 Cb 0.20 -3.64 0.30 0.00 -1.51 0.00 0.00 72.50 67.86 2qi6 s THR 80 CO -0.02 0.11 2.10 1.55 -2.21 0.00 0.00 174.62 176.15 2qi6 h PRO 81 N 2.77 0.00 -3.17 7.08 0.13 -1.97 -3.44 132.00 133.39 2qi6 h PRO 81 Ca -0.48 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.58 2qi6 h PRO 81 Cb 1.23 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.20 2qi6 h PRO 81 CO 0.63 0.10 -0.11 0.14 -0.23 0.00 0.00 178.00 178.53 2qi6 s VAL 82 N -4.29 0.06 0.13 1.56 -7.23 -1.26 -5.09 120.40 104.28 2qi6 s VAL 82 Ca -0.03 -0.53 -0.31 0.00 -1.81 0.00 0.00 61.98 59.30 2qi6 s VAL 82 Cb 0.14 -1.02 -0.10 0.00 0.56 0.00 0.00 36.38 35.95 2qi6 s VAL 82 CO 0.58 -0.29 1.77 0.20 -0.31 0.00 0.00 175.10 177.05 2qi6 s ASN 83 N -2.27 6.46 -0.04 4.85 0.01 -1.26 -4.74 114.94 117.96 2qi6 s ASN 83 Ca -0.03 2.71 0.04 0.00 -0.71 0.00 0.00 52.86 54.88 2qi6 s ASN 83 Cb 0.00 -2.57 -0.00 0.00 0.41 0.00 0.00 41.25 39.09 2qi6 s ASN 83 CO -0.05 -0.97 -0.15 0.27 -1.51 0.00 0.00 177.10 174.68 2qi6 s ILE 84 N 2.45 1.27 -0.34 0.60 -4.36 0.07 -0.87 121.20 120.02 2qi6 s ILE 84 Ca 0.78 -0.63 -0.16 0.00 -0.26 0.00 0.00 60.65 60.39 2qi6 s ILE 84 Cb -0.45 -1.10 -0.01 0.00 1.25 0.00 0.00 42.46 42.15 2qi6 s ILE 84 CO 0.35 0.37 0.39 -0.63 0.24 0.00 0.00 174.94 175.66 2qi6 s ILE 85 N 0.07 5.14 0.32 8.37 -1.09 0.85 -1.35 121.20 133.51 2qi6 s ILE 85 Ca -0.03 0.14 0.04 0.00 -2.23 0.00 0.00 60.65 58.57 2qi6 s ILE 85 Cb -0.11 -3.83 0.06 0.00 -1.58 0.00 0.00 42.46 37.00 2qi6 s ILE 85 CO 0.02 -0.09 0.44 0.61 -1.23 0.00 0.00 174.94 174.69 2qi6 n GLY 86 N 4.90 1.66 0.25 6.18 0.00 -1.15 -1.00 105.19 116.03 2qi6 n GLY 86 Ca -0.08 -2.14 0.07 0.00 0.00 0.00 0.00 46.02 43.87 2qi6 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi6 h ARG 87 N 0.00 0.00 -0.75 1.61 3.08 -0.88 -0.88 114.38 116.57 2qi6 h ARG 87 Ca -0.15 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.97 2qi6 h ARG 87 Cb 0.65 0.00 -0.05 0.00 0.08 0.00 0.00 29.97 30.65 2qi6 h ARG 87 CO 0.20 0.08 0.49 -2.95 -1.07 0.00 0.00 179.97 176.72 2qi6 h ASN 88 N 0.00 0.67 0.04 7.04 -1.07 -1.78 -2.15 115.58 118.33 2qi6 h ASN 88 Ca -0.00 0.01 -0.28 0.00 0.07 0.00 0.00 56.30 56.10 2qi6 h ASN 88 Cb 0.15 -0.14 -0.05 0.00 -2.07 0.00 0.00 38.32 36.21 2qi6 h ASN 88 CO 0.01 0.42 -2.25 0.18 0.07 0.00 0.00 177.43 175.87 2qi6 n LEU 89 N -4.49 0.05 -0.33 6.14 4.77 -0.81 -4.05 117.00 118.29 2qi6 n LEU 89 Ca 0.11 0.02 0.02 0.00 -0.03 0.00 0.00 56.01 56.14 2qi6 n LEU 89 Cb 0.25 0.36 0.20 0.00 -2.33 0.00 0.00 43.42 41.90 2qi6 n LEU 89 CO 0.33 0.37 1.26 -0.07 -1.33 0.00 0.00 177.39 177.96 2qi6 h LEU 90 N 0.00 0.99 -0.75 2.23 3.38 -1.00 -1.67 115.31 118.49 2qi6 h LEU 90 Ca -0.40 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.49 2qi6 h LEU 90 Cb 1.93 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 2qi6 h LEU 90 CO 0.02 0.67 0.10 0.71 0.09 0.00 0.00 178.44 180.03 2qi6 h THR 91 N 1.14 1.26 -0.74 0.22 1.35 -1.58 -0.56 112.91 114.00 2qi6 h THR 91 Ca 0.38 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 65.21 2qi6 h THR 91 Cb 0.07 0.66 -0.04 0.00 -1.73 0.00 0.00 68.15 67.11 2qi6 h THR 91 CO -0.13 0.38 0.42 1.56 -0.25 0.00 0.00 175.52 177.51 2qi6 h GLN 92 N 0.98 1.01 -0.12 4.72 4.20 -1.46 -2.05 115.11 122.40 2qi6 h GLN 92 Ca 0.20 -0.10 0.00 0.00 0.06 0.00 0.00 58.65 58.81 2qi6 h GLN 92 Cb 0.43 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2qi6 h GLN 92 CO 0.01 0.73 0.00 0.44 -0.67 0.00 0.00 178.83 179.34 2qi6 n ILE 93 N -4.37 0.15 -2.09 2.54 -5.35 -0.94 -4.92 119.36 104.37 2qi6 n ILE 93 Ca 0.08 -0.31 -0.02 0.00 -0.27 0.00 0.00 62.75 62.23 2qi6 n ILE 93 Cb 0.08 0.38 -0.00 0.00 -1.74 0.00 0.00 39.64 38.36 2qi6 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi6 n GLY 94 N 1.13 0.34 3.72 3.28 0.00 -0.77 -5.01 105.19 107.88 2qi6 n GLY 94 Ca 0.17 -0.79 -0.41 0.00 0.00 0.00 0.00 46.02 44.99 2qi6 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi6 s THR 96 N 0.63 1.34 -0.05 0.00 -4.23 -1.26 -4.63 115.64 107.43 2qi6 s THR 96 Ca 0.47 -2.07 -0.16 0.00 -1.18 0.00 0.00 61.69 58.75 2qi6 s THR 96 Cb -0.21 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 71.71 2qi6 s THR 96 CO 0.27 -0.68 0.43 -0.76 -0.54 0.00 0.00 174.62 173.34 2qi6 s LEU 97 N -3.14 4.38 -0.02 4.79 1.43 -1.26 -5.09 118.68 119.77 2qi6 s LEU 97 Ca 0.17 0.88 0.01 0.00 -1.03 0.00 0.00 54.13 54.16 2qi6 s LEU 97 Cb 0.01 -2.62 0.01 0.00 0.03 0.00 0.00 46.19 43.62 2qi6 s LEU 97 CO 0.02 0.18 -0.01 0.20 0.23 0.00 0.00 176.35 176.97 2qi6 s ASN 98 N -0.30 0.36 0.00 2.29 0.01 -1.26 -5.29 114.94 110.75 2qi6 s ASN 98 Ca 0.24 -0.04 0.00 0.00 -0.71 0.00 0.00 52.86 52.36 2qi6 s ASN 98 Cb -0.16 -0.14 0.00 0.00 0.41 0.00 0.00 41.25 41.37 2qi6 s ASN 98 CO 0.12 -0.04 0.00 2.22 -1.51 0.00 0.00 177.10 177.89