#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qi3 s GLN 2 N 0.00 4.03 -0.17 0.54 0.74 -1.26 -5.10 119.66 118.45 2qi3 s GLN 2 Ca 0.00 -0.23 0.01 0.00 0.05 0.00 0.00 55.36 55.19 2qi3 s GLN 2 Cb 0.00 -3.35 0.02 0.00 1.10 0.00 0.00 33.01 30.78 2qi3 s GLN 2 CO 0.00 0.37 -0.19 0.42 -0.55 0.00 0.00 175.29 175.34 2qi3 s ILE 3 N 0.14 1.98 0.70 -2.34 1.01 -1.26 -5.13 121.20 116.30 2qi3 s ILE 3 Ca 0.08 -0.90 -0.06 0.00 0.00 0.00 0.00 60.65 59.78 2qi3 s ILE 3 Cb -0.11 -1.79 0.07 0.00 0.01 0.00 0.00 42.46 40.64 2qi3 s ILE 3 CO -0.01 0.53 1.00 0.42 0.00 0.00 0.00 174.94 176.88 2qi3 s THR 4 N 1.21 2.29 -0.11 2.92 -4.23 -1.26 -5.04 115.64 111.42 2qi3 s THR 4 Ca 0.02 -0.31 0.16 0.00 -1.18 0.00 0.00 61.69 60.38 2qi3 s THR 4 Cb -0.14 -2.98 0.24 0.00 1.34 0.00 0.00 72.50 70.97 2qi3 s THR 4 CO -0.10 0.00 1.12 0.18 -0.54 0.00 0.00 174.62 175.28 2qi3 n LEU 5 N -2.90 2.12 0.22 4.79 4.77 -1.26 -4.52 117.00 120.23 2qi3 n LEU 5 Ca 0.09 -2.83 0.09 0.00 -0.03 0.00 0.00 56.01 53.33 2qi3 n LEU 5 Cb 0.60 -0.36 0.49 0.00 -2.33 0.00 0.00 43.42 41.83 2qi3 n LEU 5 CO 0.51 0.65 0.81 -0.50 -1.33 0.00 0.00 177.39 177.53 2qi3 h TRP 6 N 0.00 0.00 -2.11 -1.77 6.55 -2.07 -3.43 115.95 113.12 2qi3 h TRP 6 Ca 0.00 0.00 -0.59 0.00 0.95 0.00 0.00 58.89 59.25 2qi3 h TRP 6 Cb 0.99 0.00 -0.12 0.00 -0.86 0.00 0.00 29.16 29.17 2qi3 h TRP 6 CO 0.01 0.24 -0.69 0.15 -1.05 0.00 0.00 178.44 177.10 2qi3 s LYS 7 N -3.80 1.91 0.19 0.49 -0.14 -1.26 -5.10 119.74 112.03 2qi3 s LYS 7 Ca -0.01 -1.72 -0.33 0.00 -1.36 0.00 0.00 55.97 52.56 2qi3 s LYS 7 Cb 0.11 -1.88 -0.13 0.00 -1.68 0.00 0.00 37.83 34.26 2qi3 s LYS 7 CO 0.64 0.27 1.63 0.54 -0.76 0.00 0.00 175.35 177.67 2qi3 n ARG 8 N -0.77 2.45 -1.40 1.68 1.74 -1.26 -4.87 116.66 114.23 2qi3 n ARG 8 Ca -0.05 0.88 -0.42 0.00 -0.77 0.00 0.00 57.85 57.49 2qi3 n ARG 8 Cb 0.61 -2.68 -0.04 0.00 -1.02 0.00 0.00 32.46 29.33 2qi3 n ARG 8 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2qi3 n PRO 9 N 3.49 1.87 -3.16 5.56 -0.04 -1.26 -4.92 135.00 136.55 2qi3 n PRO 9 Ca 0.16 -2.11 -0.39 0.00 -0.04 0.00 0.00 63.50 61.12 2qi3 n PRO 9 Cb 0.32 -3.08 -0.05 0.00 -0.04 0.00 0.00 33.50 30.64 2qi3 n PRO 9 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 2qi3 s LEU 10 N 2.23 4.37 0.13 1.53 1.43 -1.26 -1.24 118.68 125.87 2qi3 s LEU 10 Ca 0.56 1.14 0.04 0.00 -1.03 0.00 0.00 54.13 54.84 2qi3 s LEU 10 Cb 0.13 -2.96 -0.04 0.00 0.03 0.00 0.00 46.19 43.35 2qi3 s LEU 10 CO 0.07 0.02 -0.10 0.68 0.23 0.00 0.00 176.35 177.25 2qi3 s VAL 11 N 0.19 1.10 0.01 -1.59 -7.23 0.59 -4.94 120.40 108.54 2qi3 s VAL 11 Ca 0.33 -1.92 -0.25 0.00 -1.81 0.00 0.00 61.98 58.32 2qi3 s VAL 11 Cb -0.18 -1.69 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 2qi3 s VAL 11 CO 0.17 -0.68 0.78 -0.89 -0.31 0.00 0.00 175.10 174.17 2qi3 s THR 12 N -3.02 4.82 0.20 5.32 2.01 -1.26 -0.58 115.64 123.14 2qi3 s THR 12 Ca 0.13 1.65 0.11 0.00 0.31 0.00 0.00 61.69 63.89 2qi3 s THR 12 Cb 0.01 -4.13 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 2qi3 s THR 12 CO 0.00 0.31 -0.17 0.27 -0.69 0.00 0.00 174.62 174.34 2qi3 s ILE 13 N 0.31 2.72 -0.17 1.82 -4.36 0.37 -1.89 121.20 120.00 2qi3 s ILE 13 Ca 0.40 -1.95 0.01 0.00 -0.26 0.00 0.00 60.65 58.86 2qi3 s ILE 13 Cb -0.20 -2.35 0.01 0.00 1.25 0.00 0.00 42.46 41.18 2qi3 s ILE 13 CO 0.23 -0.16 -0.18 -0.60 0.24 0.00 0.00 174.94 174.46 2qi3 s ARG 14 N -2.89 3.06 -0.04 0.37 3.52 0.11 -1.84 118.95 121.23 2qi3 s ARG 14 Ca 0.24 -0.81 -0.02 0.00 -0.13 0.00 0.00 55.73 55.01 2qi3 s ARG 14 Cb -0.08 -2.58 0.03 0.00 -1.56 0.00 0.00 34.95 30.76 2qi3 s ARG 14 CO 0.13 -0.13 0.08 -1.50 -0.81 0.00 0.00 175.30 173.06 2qi3 s ILE 15 N 1.13 -0.11 -1.62 4.11 2.07 -0.22 -1.59 121.20 124.97 2qi3 s ILE 15 Ca 0.01 0.34 -0.03 0.00 -1.41 0.00 0.00 60.65 59.56 2qi3 s ILE 15 Cb -0.14 -0.16 0.01 0.00 0.13 0.00 0.00 42.46 42.29 2qi3 s ILE 15 CO -0.08 0.14 0.35 0.61 -1.91 0.00 0.00 174.94 174.05 2qi3 n GLY 16 N 4.90 -0.51 3.02 1.50 0.00 -1.26 -1.09 105.19 111.74 2qi3 n GLY 16 Ca -0.12 0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2qi3 n GLY 16 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi3 n GLY 17 N -1.29 1.16 3.76 -0.02 0.00 -1.26 -5.02 105.19 102.52 2qi3 n GLY 17 Ca -0.16 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.50 2qi3 n GLY 17 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2qi3 s GLN 18 N -0.01 3.29 -0.20 1.61 -1.52 -0.25 -5.10 119.66 117.49 2qi3 s GLN 18 Ca 0.00 -0.28 -0.10 0.00 -1.95 0.00 0.00 55.36 53.03 2qi3 s GLN 18 Cb 0.00 -3.01 -0.05 0.00 -0.22 0.00 0.00 33.01 29.73 2qi3 s GLN 18 CO 0.00 0.69 0.14 -0.51 -0.25 0.00 0.00 175.29 175.37 2qi3 s LEU 19 N -0.82 4.22 0.07 2.90 1.43 -1.26 -1.05 118.68 124.17 2qi3 s LEU 19 Ca 0.13 0.26 0.02 0.00 -1.03 0.00 0.00 54.13 53.51 2qi3 s LEU 19 Cb -0.12 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.95 2qi3 s LEU 19 CO 0.03 0.18 -0.07 -0.54 0.23 0.00 0.00 176.35 176.18 2qi3 s LYS 20 N 0.35 0.69 -0.02 1.70 1.02 -0.77 -4.98 119.74 117.73 2qi3 s LYS 20 Ca 0.09 -1.08 -0.16 0.00 0.02 0.00 0.00 55.97 54.84 2qi3 s LYS 20 Cb -0.11 -0.22 -0.05 0.00 -0.52 0.00 0.00 37.83 36.92 2qi3 s LYS 20 CO -0.01 0.01 0.44 -1.21 -0.92 0.00 0.00 175.35 173.65 2qi3 s GLU 21 N -2.87 4.05 0.04 1.68 0.41 -1.26 -0.48 118.70 120.27 2qi3 s GLU 21 Ca 0.02 0.45 -0.03 0.00 -0.41 0.00 0.00 54.97 55.00 2qi3 s GLU 21 Cb -0.01 -3.27 -0.02 0.00 -1.78 0.00 0.00 34.13 29.05 2qi3 s GLU 21 CO -0.03 0.56 0.05 0.00 -0.49 0.00 0.00 175.26 175.35 2qi3 s ALA 22 N -0.69 0.08 -0.24 5.21 0.00 0.25 -4.59 121.76 121.78 2qi3 s ALA 22 Ca 0.25 -0.68 -0.12 0.00 0.00 0.00 0.00 51.96 51.41 2qi3 s ALA 22 Cb -0.17 0.23 -0.05 0.00 0.00 0.00 0.00 23.12 23.14 2qi3 s ALA 22 CO 0.13 -0.29 0.22 -1.17 0.00 0.00 0.00 175.76 174.65 2qi3 s LEU 23 N -2.12 4.10 -0.27 0.00 2.96 0.23 -0.30 118.68 123.27 2qi3 s LEU 23 Ca -0.05 0.17 -0.29 0.00 -0.22 0.00 0.00 54.13 53.74 2qi3 s LEU 23 Cb -0.01 -2.20 -0.01 0.00 0.50 0.00 0.00 46.19 44.46 2qi3 s LEU 23 CO -0.05 0.00 1.52 -0.76 -1.32 0.00 0.00 176.35 175.74 2qi3 s LEU 24 N 1.30 3.82 -0.42 -0.68 1.43 -0.37 -0.33 118.68 123.43 2qi3 s LEU 24 Ca 0.10 1.38 0.02 0.00 -1.03 0.00 0.00 54.13 54.60 2qi3 s LEU 24 Cb -0.14 -3.53 0.13 0.00 0.03 0.00 0.00 46.19 42.67 2qi3 s LEU 24 CO 0.07 -1.27 0.21 -0.62 0.23 0.00 0.00 176.35 174.97 2qi3 s ASP 25 N 3.95 3.83 0.55 2.29 -1.08 -0.47 -4.78 116.67 120.96 2qi3 s ASP 25 Ca 0.67 -2.50 0.33 0.00 -0.52 0.00 0.00 52.55 50.53 2qi3 s ASP 25 Cb -0.21 -1.10 1.37 0.00 -1.46 0.00 0.00 42.92 41.51 2qi3 s ASP 25 CO 0.28 -0.29 1.99 0.71 0.52 0.00 0.00 175.17 178.38 2qi3 h THR 26 N 5.51 0.03 -0.02 1.71 1.35 -1.93 -2.39 112.91 117.17 2qi3 h THR 26 Ca -0.04 -0.53 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 2qi3 h THR 26 Cb 0.94 1.51 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 2qi3 h THR 26 CO 0.50 0.01 0.00 0.61 -0.25 0.00 0.00 175.52 176.39 2qi3 n GLY 27 N 0.02 -0.75 3.43 5.82 0.00 -1.26 -4.75 105.19 107.69 2qi3 n GLY 27 Ca 0.00 -0.21 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 2qi3 n GLY 27 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi3 s ALA 28 N -1.97 3.01 0.21 4.61 0.00 -0.90 -4.99 121.76 121.73 2qi3 s ALA 28 Ca 0.35 -1.02 -0.10 0.00 0.00 0.00 0.00 51.96 51.19 2qi3 s ALA 28 Cb 0.17 -1.79 0.15 0.00 0.00 0.00 0.00 23.12 21.65 2qi3 s ALA 28 CO 0.27 -0.21 1.85 -0.44 0.00 0.00 0.00 175.76 177.23 2qi3 h ASP 29 N 7.63 0.90 -4.19 0.00 3.32 -1.86 0.66 116.42 122.88 2qi3 h ASP 29 Ca -0.37 -0.06 -0.56 0.00 0.02 0.00 0.00 57.03 56.06 2qi3 h ASP 29 Cb 1.18 -0.23 -0.22 0.00 0.22 0.00 0.00 39.33 40.28 2qi3 h ASP 29 CO 0.61 0.70 -0.83 -1.81 -1.72 0.00 0.00 179.24 176.19 2qi3 s ASP 30 N -5.98 2.52 -0.03 6.45 1.01 -1.26 -1.81 116.67 117.57 2qi3 s ASP 30 Ca -0.13 -0.67 -0.30 0.00 0.71 0.00 0.00 52.55 52.16 2qi3 s ASP 30 Cb 0.15 -0.14 -0.03 0.00 1.01 0.00 0.00 42.92 43.90 2qi3 s ASP 30 CO 0.79 0.07 1.13 -0.89 0.21 0.00 0.00 175.17 176.47 2qi3 s THR 31 N -1.13 4.41 -0.11 -1.27 2.01 -1.26 -3.88 115.64 114.40 2qi3 s THR 31 Ca 0.06 1.72 -0.01 0.00 0.31 0.00 0.00 61.69 63.78 2qi3 s THR 31 Cb -0.10 -4.11 0.03 0.00 0.01 0.00 0.00 72.50 68.33 2qi3 s THR 31 CO 0.04 0.05 -0.06 -0.69 -0.69 0.00 0.00 174.62 173.27 2qi3 s VAL 32 N 1.70 0.93 0.10 3.82 1.01 -0.34 -1.43 120.40 126.19 2qi3 s VAL 32 Ca 0.54 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.32 2qi3 s VAL 32 Cb -0.24 -0.99 -0.04 0.00 0.00 0.00 0.00 36.38 35.11 2qi3 s VAL 32 CO 0.24 0.32 -0.04 -0.76 0.00 0.00 0.00 175.10 174.86 2qi3 s LEU 33 N 1.74 3.30 1.02 3.92 1.43 0.90 -0.83 118.68 130.16 2qi3 s LEU 33 Ca 0.04 -0.27 -0.11 0.00 -1.03 0.00 0.00 54.13 52.77 2qi3 s LEU 33 Cb -0.13 -2.05 0.20 0.00 0.03 0.00 0.00 46.19 44.25 2qi3 s LEU 33 CO -0.08 0.17 1.09 -1.61 0.23 0.00 0.00 176.35 176.15 2qi3 s GLU 34 N -2.30 0.19 0.11 1.70 2.02 -1.26 -1.39 118.70 117.78 2qi3 s GLU 34 Ca 0.24 1.19 -0.35 0.00 0.02 0.00 0.00 54.97 56.07 2qi3 s GLU 34 Cb -0.11 -1.66 -0.15 0.00 0.10 0.00 0.00 34.13 32.31 2qi3 s GLU 34 CO 0.17 -3.08 1.50 0.39 0.02 0.00 0.00 175.26 174.25 2qi3 n GLU 35 N -4.51 1.73 -3.61 1.61 -0.58 -1.24 -4.52 120.64 109.52 2qi3 n GLU 35 Ca 0.08 0.63 -0.09 0.00 -0.42 0.00 0.00 57.16 57.35 2qi3 n GLU 35 Cb 0.53 -2.34 -0.02 0.00 -0.57 0.00 0.00 31.44 29.04 2qi3 n GLU 35 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qi3 s MET 36 N 0.91 1.40 -0.14 3.49 0.23 -1.26 -5.04 119.30 118.89 2qi3 s MET 36 Ca 0.82 -0.65 -0.17 0.00 -1.03 0.00 0.00 55.69 54.66 2qi3 s MET 36 Cb -0.80 0.56 -0.04 0.00 -1.53 0.00 0.00 34.83 33.02 2qi3 s MET 36 CO 0.42 -0.63 0.42 -0.80 -2.03 0.00 0.00 175.02 172.41 2qi3 s ASN 37 N -2.80 6.59 0.08 -1.18 0.02 -1.26 -5.04 114.94 111.36 2qi3 s ASN 37 Ca 0.06 0.70 0.07 0.00 -1.02 0.00 0.00 52.86 52.67 2qi3 s ASN 37 Cb -0.03 -2.25 -0.03 0.00 0.02 0.00 0.00 41.25 38.96 2qi3 s ASN 37 CO -0.04 0.01 -0.18 -0.76 0.02 0.00 0.00 177.10 176.15 2qi3 s LEU 38 N 0.67 2.27 0.77 0.60 1.43 -1.26 -5.09 118.68 118.07 2qi3 s LEU 38 Ca 0.23 -0.63 -0.12 0.00 -1.03 0.00 0.00 54.13 52.59 2qi3 s LEU 38 Cb -0.14 -0.72 0.05 0.00 0.03 0.00 0.00 46.19 45.40 2qi3 s LEU 38 CO 0.08 0.01 1.13 -2.16 0.23 0.00 0.00 176.35 175.64 2qi3 s PRO 39 N -1.71 2.34 0.00 1.29 0.05 -1.26 -4.97 135.00 130.73 2qi3 s PRO 39 Ca 0.03 0.34 0.00 0.00 0.05 0.00 0.00 61.00 61.42 2qi3 s PRO 39 Cb -0.10 -1.97 0.00 0.00 0.05 0.00 0.00 34.50 32.48 2qi3 s PRO 39 CO 0.03 -1.38 0.00 0.41 0.05 0.00 0.00 177.00 176.11 2qi3 n GLY 40 N -2.97 -0.39 3.78 0.56 0.00 -1.26 -4.94 105.19 99.96 2qi3 n GLY 40 Ca 0.07 -1.78 -0.37 0.00 0.00 0.00 0.00 46.02 43.94 2qi3 n GLY 40 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi3 s LYS 41 N -1.55 4.07 0.17 1.61 0.00 -1.26 -5.06 119.74 117.72 2qi3 s LYS 41 Ca 0.00 1.64 0.07 0.00 0.00 0.00 0.00 55.97 57.68 2qi3 s LYS 41 Cb 0.00 -2.56 -0.04 0.00 0.00 0.00 0.00 37.83 35.23 2qi3 s LYS 41 CO 0.00 -0.26 -0.13 1.67 0.00 0.00 0.00 175.35 176.63 2qi3 s TRP 42 N -1.57 1.53 -0.12 1.78 1.48 -1.26 -4.66 118.94 116.13 2qi3 s TRP 42 Ca 0.59 -0.61 -0.00 0.00 -1.06 0.00 0.00 56.10 55.01 2qi3 s TRP 42 Cb -0.25 -0.75 -0.02 0.00 -1.16 0.00 0.00 33.47 31.29 2qi3 s TRP 42 CO 0.32 0.24 -0.11 -1.59 -4.06 0.00 0.00 176.95 171.75 2qi3 s LYS 43 N -3.42 3.28 0.28 3.25 0.00 -0.81 -4.89 119.74 117.43 2qi3 s LYS 43 Ca 0.18 -0.64 -0.29 0.00 0.00 0.00 0.00 55.97 55.21 2qi3 s LYS 43 Cb -0.01 -2.65 -0.10 0.00 0.00 0.00 0.00 37.83 35.07 2qi3 s LYS 43 CO 0.04 0.31 1.35 -2.14 0.00 0.00 0.00 175.35 174.91 2qi3 s PRO 44 N 0.12 4.34 0.08 1.78 0.02 -1.26 -0.21 135.00 139.87 2qi3 s PRO 44 Ca -0.05 2.21 -0.04 0.00 0.02 0.00 0.00 61.00 63.14 2qi3 s PRO 44 Cb -0.14 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.24 2qi3 s PRO 44 CO 0.04 -0.27 0.07 0.15 -0.33 0.00 0.00 177.00 176.66 2qi3 s LYS 45 N -1.02 0.78 -0.03 5.54 1.02 -0.50 -4.91 119.74 120.62 2qi3 s LYS 45 Ca 0.54 -1.19 0.07 0.00 0.02 0.00 0.00 55.97 55.41 2qi3 s LYS 45 Cb -0.40 0.26 -0.02 0.00 -0.52 0.00 0.00 37.83 37.16 2qi3 s LYS 45 CO 0.47 -0.21 -0.25 -1.64 -0.92 0.00 0.00 175.35 172.80 2qi3 s MET 46 N -3.93 2.15 0.07 1.68 -1.94 -1.26 -1.05 119.30 115.01 2qi3 s MET 46 Ca 0.10 -0.91 0.04 0.00 -1.71 0.00 0.00 55.69 53.22 2qi3 s MET 46 Cb 0.07 -2.02 -0.03 0.00 2.01 0.00 0.00 34.83 34.86 2qi3 s MET 46 CO -0.07 0.51 -0.13 0.96 -0.01 0.00 0.00 175.02 176.29 2qi3 s ILE 47 N -0.51 0.99 -0.12 2.53 -4.36 -0.65 -4.98 121.20 114.09 2qi3 s ILE 47 Ca 0.07 -1.27 0.02 0.00 -0.26 0.00 0.00 60.65 59.21 2qi3 s ILE 47 Cb -0.11 -0.99 0.01 0.00 1.25 0.00 0.00 42.46 42.63 2qi3 s ILE 47 CO -0.00 -0.27 -0.18 -0.83 0.24 0.00 0.00 174.94 173.90 2qi3 s GLY 48 N -1.74 1.17 0.00 6.27 0.00 -1.26 -0.10 107.32 111.67 2qi3 s GLY 48 Ca -0.03 -0.89 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2qi3 s GLY 48 CO 0.02 0.16 0.00 0.61 0.00 0.00 0.00 173.10 173.88 2qi3 n GLY 49 N 4.20 5.33 0.26 0.20 0.00 0.04 -4.95 105.19 110.27 2qi3 n GLY 49 Ca -0.19 -2.01 0.10 0.00 0.00 0.00 0.00 46.02 43.91 2qi3 n GLY 49 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 2qi3 h ILE 50 N 0.00 0.87 -0.12 -0.61 2.10 -2.04 -2.86 117.51 114.86 2qi3 h ILE 50 Ca 0.00 -0.19 0.00 0.00 1.08 0.00 0.00 64.86 65.75 2qi3 h ILE 50 Cb 0.00 1.11 0.00 0.00 -1.09 0.00 0.00 36.82 36.84 2qi3 h ILE 50 CO 0.00 0.05 0.00 0.61 -1.08 0.00 0.00 178.15 177.73 2qi3 n GLY 51 N -1.28 0.88 0.00 8.18 0.00 -1.26 -5.08 105.19 106.62 2qi3 n GLY 51 Ca -0.03 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.41 2qi3 n GLY 51 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qi3 n GLY 52 N 1.15 0.53 3.89 -0.02 0.00 -1.08 -5.09 105.19 104.57 2qi3 n GLY 52 Ca 0.13 -2.18 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 2qi3 n GLY 52 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qi3 s PHE 53 N -0.72 3.57 0.21 1.61 0.08 -1.26 -0.78 117.98 120.68 2qi3 s PHE 53 Ca 0.00 0.44 0.08 0.00 0.12 0.00 0.00 56.93 57.57 2qi3 s PHE 53 Cb 0.00 -1.88 -0.05 0.00 -0.57 0.00 0.00 43.02 40.52 2qi3 s PHE 53 CO 0.00 0.69 -0.15 0.96 -0.10 0.00 0.00 175.22 176.62 2qi3 s ILE 54 N -1.18 1.81 -0.05 0.64 -4.36 0.86 -4.97 121.20 113.95 2qi3 s ILE 54 Ca 0.21 -2.21 -0.16 0.00 -0.26 0.00 0.00 60.65 58.23 2qi3 s ILE 54 Cb -0.12 -2.05 -0.05 0.00 1.25 0.00 0.00 42.46 41.48 2qi3 s ILE 54 CO 0.12 -0.56 0.43 -0.54 0.24 0.00 0.00 174.94 174.62 2qi3 s LYS 55 N -3.58 4.10 0.23 0.37 1.02 -1.26 -1.64 119.74 118.97 2qi3 s LYS 55 Ca 0.23 0.41 0.03 0.00 0.02 0.00 0.00 55.97 56.66 2qi3 s LYS 55 Cb -0.01 -3.31 -0.05 0.00 -0.52 0.00 0.00 37.83 33.94 2qi3 s LYS 55 CO 0.08 0.48 0.00 0.14 -0.92 0.00 0.00 175.35 175.13 2qi3 s VAL 56 N -0.41 0.98 -0.16 3.17 -7.23 -0.21 -4.43 120.40 112.11 2qi3 s VAL 56 Ca 0.24 -2.03 -0.03 0.00 -1.81 0.00 0.00 61.98 58.36 2qi3 s VAL 56 Cb -0.16 -2.35 -0.02 0.00 0.56 0.00 0.00 36.38 34.41 2qi3 s VAL 56 CO 0.12 -0.31 -0.06 -0.13 -0.31 0.00 0.00 175.10 174.41 2qi3 s ARG 57 N -3.88 3.53 -0.30 4.82 0.52 0.31 -1.41 118.95 122.55 2qi3 s ARG 57 Ca 0.29 -0.59 -0.15 0.00 -0.52 0.00 0.00 55.73 54.76 2qi3 s ARG 57 Cb 0.06 -2.86 -0.03 0.00 0.52 0.00 0.00 34.95 32.64 2qi3 s ARG 57 CO 0.09 0.14 0.39 -1.14 0.02 0.00 0.00 175.30 174.80 2qi3 s GLN 58 N 0.60 3.87 -0.15 3.54 0.74 0.71 -0.87 119.66 128.11 2qi3 s GLN 58 Ca -0.04 -0.08 -0.02 0.00 0.05 0.00 0.00 55.36 55.27 2qi3 s GLN 58 Cb -0.15 -3.71 -0.02 0.00 1.10 0.00 0.00 33.01 30.23 2qi3 s GLN 58 CO 0.03 -0.38 -0.07 0.71 -0.55 0.00 0.00 175.29 175.02 2qi3 s TYR 59 N 2.11 2.94 0.15 1.67 1.51 -0.10 -1.93 117.35 123.69 2qi3 s TYR 59 Ca 0.15 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.80 2qi3 s TYR 59 Cb -0.16 -1.92 -0.04 0.00 -0.11 0.00 0.00 41.96 39.74 2qi3 s TYR 59 CO 0.11 -0.11 0.21 -0.51 -1.11 0.00 0.00 175.55 174.13 2qi3 s ASP 60 N 0.38 5.95 -1.29 2.29 1.01 -1.26 -0.61 116.67 123.14 2qi3 s ASP 60 Ca -0.07 0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.23 2qi3 s ASP 60 Cb -0.15 -1.69 -0.00 0.00 1.01 0.00 0.00 42.92 42.09 2qi3 s ASP 60 CO 0.04 0.07 0.71 0.00 0.21 0.00 0.00 175.17 176.20 2qi3 n GLN 61 N -0.36 -4.72 -3.58 8.23 1.13 -1.09 -4.89 117.38 112.10 2qi3 n GLN 61 Ca -0.07 0.62 -0.38 0.00 -1.94 0.00 0.00 57.00 55.23 2qi3 n GLN 61 Cb 0.54 -5.16 -0.10 0.00 0.11 0.00 0.00 30.24 25.63 2qi3 n GLN 61 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 2qi3 s ILE 62 N -3.66 5.30 0.13 5.09 -1.09 0.66 -4.71 121.20 122.93 2qi3 s ILE 62 Ca 0.03 0.23 -0.31 0.00 -2.23 0.00 0.00 60.65 58.36 2qi3 s ILE 62 Cb -0.01 -3.55 -0.09 0.00 -1.58 0.00 0.00 42.46 37.24 2qi3 s ILE 62 CO 0.81 0.26 1.47 -2.84 -1.23 0.00 0.00 174.94 173.41 2qi3 s PRO 63 N 1.64 4.27 -0.03 2.79 0.02 -1.26 -1.88 135.00 140.56 2qi3 s PRO 63 Ca 0.08 2.20 0.02 0.00 0.02 0.00 0.00 61.00 63.32 2qi3 s PRO 63 Cb -0.15 -3.24 0.01 0.00 0.02 0.00 0.00 34.50 31.14 2qi3 s PRO 63 CO 0.09 -0.52 -0.06 0.42 -0.33 0.00 0.00 177.00 176.60 2qi3 s ILE 64 N 1.24 0.60 -0.26 2.83 1.01 -0.21 -4.48 121.20 121.93 2qi3 s ILE 64 Ca 0.67 -0.23 -0.09 0.00 0.00 0.00 0.00 60.65 61.00 2qi3 s ILE 64 Cb -0.40 -0.57 -0.04 0.00 0.01 0.00 0.00 42.46 41.47 2qi3 s ILE 64 CO 0.31 0.21 0.13 -0.70 0.00 0.00 0.00 174.94 174.88 2qi3 s GLU 65 N 0.42 3.80 -0.35 2.79 2.12 -0.62 0.06 118.70 126.92 2qi3 s GLU 65 Ca -0.06 -0.40 -0.05 0.00 0.36 0.00 0.00 54.97 54.83 2qi3 s GLU 65 Cb -0.10 -3.49 0.06 0.00 0.26 0.00 0.00 34.13 30.86 2qi3 s GLU 65 CO 0.00 -0.18 0.11 0.42 -0.54 0.00 0.00 175.26 175.07 2qi3 s ILE 66 N 1.68 3.52 -1.47 -3.70 1.01 0.76 -0.71 121.20 122.30 2qi3 s ILE 66 Ca 0.07 -1.38 -0.12 0.00 0.00 0.00 0.00 60.65 59.22 2qi3 s ILE 66 Cb -0.16 -3.09 0.06 0.00 0.01 0.00 0.00 42.46 39.29 2qi3 s ILE 66 CO 0.07 -0.27 1.02 0.00 0.00 0.00 0.00 174.94 175.76 2qi3 n GLY 68 N -1.76 0.81 3.37 0.00 0.00 -1.26 -5.01 105.19 101.33 2qi3 n GLY 68 Ca 0.01 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.69 2qi3 n GLY 68 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qi3 s HIS 69 N -3.16 2.94 0.11 1.61 4.02 0.11 -5.09 115.29 115.83 2qi3 s HIS 69 Ca 0.00 -0.72 -0.30 0.00 1.02 0.00 0.00 55.06 55.06 2qi3 s HIS 69 Cb 0.00 -2.01 -0.06 0.00 -1.02 0.00 0.00 32.58 29.49 2qi3 s HIS 69 CO 0.00 -0.35 1.05 -1.59 1.02 0.00 0.00 174.74 174.87 2qi3 s LYS 70 N 0.97 4.60 0.11 1.40 0.00 -1.26 -0.17 119.74 125.39 2qi3 s LYS 70 Ca -0.00 1.59 0.05 0.00 0.00 0.00 0.00 55.97 57.60 2qi3 s LYS 70 Cb -0.15 -3.35 -0.04 0.00 0.00 0.00 0.00 37.83 34.30 2qi3 s LYS 70 CO 0.00 0.06 -0.12 0.00 0.00 0.00 0.00 175.35 175.30 2qi3 s ALA 71 N 0.19 1.27 -0.16 0.59 0.00 0.11 -4.66 121.76 119.10 2qi3 s ALA 71 Ca 0.50 -1.22 -0.05 0.00 0.00 0.00 0.00 51.96 51.20 2qi3 s ALA 71 Cb -0.26 -0.02 0.06 0.00 0.00 0.00 0.00 23.12 22.89 2qi3 s ALA 71 CO 0.31 0.03 0.08 0.42 0.00 0.00 0.00 175.76 176.61 2qi3 s ILE 72 N -2.25 -0.05 0.00 0.00 1.01 -1.26 -1.04 121.20 117.61 2qi3 s ILE 72 Ca 0.06 -0.12 0.00 0.00 0.00 0.00 0.00 60.65 60.60 2qi3 s ILE 72 Cb -0.04 -0.55 0.00 0.00 0.01 0.00 0.00 42.46 41.88 2qi3 s ILE 72 CO 0.01 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.34 2qi3 n GLY 73 N 5.27 1.77 3.75 6.18 0.00 -0.79 -4.78 105.19 116.58 2qi3 n GLY 73 Ca -0.07 -0.64 -0.40 0.00 0.00 0.00 0.00 46.02 44.91 2qi3 n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qi3 s THR 74 N -2.35 4.39 -0.07 2.61 2.01 -1.26 -0.24 115.64 120.72 2qi3 s THR 74 Ca 0.00 1.95 0.01 0.00 0.31 0.00 0.00 61.69 63.96 2qi3 s THR 74 Cb 0.00 -4.26 0.02 0.00 0.01 0.00 0.00 72.50 68.27 2qi3 s THR 74 CO 0.00 0.41 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.57 2qi3 s VAL 75 N -0.54 0.93 -0.10 3.82 1.01 0.22 -4.56 120.40 121.19 2qi3 s VAL 75 Ca 0.42 -0.32 -0.11 0.00 0.00 0.00 0.00 61.98 61.98 2qi3 s VAL 75 Cb -0.24 -0.91 -0.05 0.00 0.00 0.00 0.00 36.38 35.19 2qi3 s VAL 75 CO 0.29 0.33 0.25 -0.76 0.00 0.00 0.00 175.10 175.20 2qi3 s LEU 76 N 1.08 4.38 -0.10 3.92 1.43 -0.52 -0.92 118.68 127.94 2qi3 s LEU 76 Ca -0.07 0.61 0.03 0.00 -1.03 0.00 0.00 54.13 53.67 2qi3 s LEU 76 Cb -0.14 -2.28 0.01 0.00 0.03 0.00 0.00 46.19 43.80 2qi3 s LEU 76 CO -0.01 0.31 -0.21 -0.69 0.23 0.00 0.00 176.35 175.98 2qi3 s VAL 77 N -0.67 1.87 -1.90 -1.59 1.01 -0.05 -0.07 120.40 119.00 2qi3 s VAL 77 Ca 0.17 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 61.26 2qi3 s VAL 77 Cb -0.14 -1.64 0.00 0.00 0.00 0.00 0.00 36.38 34.61 2qi3 s VAL 77 CO 0.06 0.52 0.00 0.61 0.00 0.00 0.00 175.10 176.29 2qi3 n GLY 78 N 3.76 -1.24 2.24 4.51 0.00 -0.48 -0.53 105.19 113.44 2qi3 n GLY 78 Ca -0.20 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.66 2qi3 n GLY 78 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2qi3 n PRO 79 N 0.00 2.35 -2.43 1.61 -0.04 -1.26 -3.62 135.00 131.61 2qi3 n PRO 79 Ca 0.00 -1.35 -0.38 0.00 -0.04 0.00 0.00 63.50 61.73 2qi3 n PRO 79 Cb 0.00 -2.27 -0.03 0.00 -0.04 0.00 0.00 33.50 31.16 2qi3 n PRO 79 CO 0.00 0.00 0.00 -0.08 -0.04 0.00 0.00 175.50 175.38 2qi3 s THR 80 N 1.92 3.43 0.53 0.52 -1.32 -1.26 -4.95 115.64 114.51 2qi3 s THR 80 Ca 0.58 1.25 0.19 0.00 -1.21 0.00 0.00 61.69 62.50 2qi3 s THR 80 Cb 0.22 -3.72 0.30 0.00 -1.51 0.00 0.00 72.50 67.78 2qi3 s THR 80 CO -0.02 0.16 2.16 -0.65 -2.21 0.00 0.00 174.62 174.05 2qi3 h PRO 81 N 3.01 0.00 -3.02 7.08 0.11 -1.97 -3.44 132.00 133.76 2qi3 h PRO 81 Ca -0.48 0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.55 2qi3 h PRO 81 Cb 1.22 0.00 -0.17 0.00 0.11 0.00 0.00 31.00 32.16 2qi3 h PRO 81 CO 0.64 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 178.86 2qi3 s VAL 82 N -4.98 0.06 0.04 3.15 0.11 -1.26 -5.09 120.40 112.42 2qi3 s VAL 82 Ca -0.05 -0.46 -0.30 0.00 -2.93 0.00 0.00 61.98 58.24 2qi3 s VAL 82 Cb 0.17 -0.94 -0.08 0.00 -1.53 0.00 0.00 36.38 33.99 2qi3 s VAL 82 CO 0.65 -0.25 1.81 0.20 -3.33 0.00 0.00 175.10 174.18 2qi3 s ASN 83 N -1.98 6.52 -0.09 3.54 0.01 -1.26 -4.75 114.94 116.93 2qi3 s ASN 83 Ca -0.05 2.55 0.03 0.00 -0.71 0.00 0.00 52.86 54.68 2qi3 s ASN 83 Cb -0.01 -2.54 0.00 0.00 0.41 0.00 0.00 41.25 39.11 2qi3 s ASN 83 CO -0.02 -0.99 -0.20 0.27 -1.51 0.00 0.00 177.10 174.65 2qi3 s ILE 84 N 3.73 1.77 -0.36 0.60 -4.36 -0.01 -0.60 121.20 121.96 2qi3 s ILE 84 Ca 0.81 -0.85 -0.18 0.00 -0.26 0.00 0.00 60.65 60.17 2qi3 s ILE 84 Cb -0.41 -1.55 0.00 0.00 1.25 0.00 0.00 42.46 41.76 2qi3 s ILE 84 CO 0.36 0.50 0.53 -0.63 0.24 0.00 0.00 174.94 175.94 2qi3 s ILE 85 N 0.46 4.99 0.48 8.37 -1.09 0.55 -1.19 121.20 133.77 2qi3 s ILE 85 Ca -0.17 0.31 0.03 0.00 -2.23 0.00 0.00 60.65 58.60 2qi3 s ILE 85 Cb -0.17 -4.00 0.09 0.00 -1.58 0.00 0.00 42.46 36.80 2qi3 s ILE 85 CO 0.07 -0.27 0.65 0.61 -1.23 0.00 0.00 174.94 174.78 2qi3 n GLY 86 N 4.81 1.30 0.25 6.18 0.00 -1.25 -1.37 105.19 115.12 2qi3 n GLY 86 Ca -0.04 -2.10 0.09 0.00 0.00 0.00 0.00 46.02 43.96 2qi3 n GLY 86 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qi3 h ARG 87 N 0.00 0.00 -0.47 1.61 3.08 -0.45 -1.51 114.38 116.63 2qi3 h ARG 87 Ca -0.22 0.00 0.07 0.00 0.07 0.00 0.00 59.98 59.90 2qi3 h ARG 87 Cb 0.89 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.92 2qi3 h ARG 87 CO 0.27 0.10 0.32 -2.95 -1.07 0.00 0.00 179.97 176.64 2qi3 h ASN 88 N 0.00 0.30 0.00 7.04 -1.07 -1.63 -1.10 115.58 119.12 2qi3 h ASN 88 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 56.30 56.06 2qi3 h ASN 88 Cb 0.20 -0.06 -0.06 0.00 -2.07 0.00 0.00 38.32 36.33 2qi3 h ASN 88 CO 0.01 0.19 -2.23 0.18 0.07 0.00 0.00 177.43 175.66 2qi3 n LEU 89 N -4.47 0.00 -0.35 6.14 4.77 -0.90 -4.12 117.00 118.06 2qi3 n LEU 89 Ca 0.07 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 56.03 2qi3 n LEU 89 Cb 0.29 0.42 0.11 0.00 -2.33 0.00 0.00 43.42 41.90 2qi3 n LEU 89 CO 0.35 0.42 1.27 -0.07 -1.33 0.00 0.00 177.39 178.02 2qi3 h LEU 90 N 0.00 1.08 -1.00 2.23 3.38 -1.02 -1.76 115.31 118.22 2qi3 h LEU 90 Ca -0.46 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 57.47 2qi3 h LEU 90 Cb 2.03 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.48 2qi3 h LEU 90 CO 0.02 0.77 0.44 0.71 0.09 0.00 0.00 178.44 180.48 2qi3 h THR 91 N 1.27 1.24 -0.59 0.22 1.35 -1.41 -1.23 112.91 113.76 2qi3 h THR 91 Ca 0.36 -0.61 -0.04 0.00 -0.55 0.00 0.00 66.41 65.57 2qi3 h THR 91 Cb -0.11 0.14 -0.03 0.00 -1.73 0.00 0.00 68.15 66.42 2qi3 h THR 91 CO -0.09 0.27 0.22 1.56 -0.25 0.00 0.00 175.52 177.24 2qi3 h GLN 92 N 1.15 0.86 -0.23 4.72 4.20 -1.49 -2.42 115.11 121.91 2qi3 h GLN 92 Ca 0.29 -0.14 0.00 0.00 0.06 0.00 0.00 58.65 58.86 2qi3 h GLN 92 Cb 0.04 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.67 2qi3 h GLN 92 CO -0.05 0.71 0.00 0.44 -0.67 0.00 0.00 178.83 179.27 2qi3 n ILE 93 N -4.32 0.29 -1.69 2.54 -5.35 -0.98 -4.93 119.36 104.93 2qi3 n ILE 93 Ca 0.05 -0.39 -0.01 0.00 -0.27 0.00 0.00 62.75 62.12 2qi3 n ILE 93 Cb 0.17 0.35 -0.00 0.00 -1.74 0.00 0.00 39.64 38.42 2qi3 n ILE 93 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2qi3 n GLY 94 N 1.12 0.37 3.73 3.28 0.00 -0.91 -5.02 105.19 107.76 2qi3 n GLY 94 Ca 0.15 -0.90 -0.41 0.00 0.00 0.00 0.00 46.02 44.86 2qi3 n GLY 94 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qi3 s THR 96 N 0.09 0.76 -0.09 0.00 -4.23 -1.26 -4.66 115.64 106.25 2qi3 s THR 96 Ca 0.48 -1.97 -0.09 0.00 -1.18 0.00 0.00 61.69 58.93 2qi3 s THR 96 Cb -0.24 -1.87 -0.04 0.00 1.34 0.00 0.00 72.50 71.69 2qi3 s THR 96 CO 0.30 -0.71 0.21 -0.76 -0.54 0.00 0.00 174.62 173.12 2qi3 s LEU 97 N -3.11 4.40 -0.03 4.79 1.43 -1.26 -5.10 118.68 119.81 2qi3 s LEU 97 Ca 0.17 0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2qi3 s LEU 97 Cb 0.05 -2.21 0.03 0.00 0.03 0.00 0.00 46.19 44.10 2qi3 s LEU 97 CO -0.01 0.38 0.06 0.20 0.23 0.00 0.00 176.35 177.20 2qi3 s ASN 98 N -0.98 0.03 0.00 2.29 0.01 -1.26 -5.30 114.94 109.73 2qi3 s ASN 98 Ca 0.17 0.10 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 2qi3 s ASN 98 Cb -0.13 -0.01 0.00 0.00 0.41 0.00 0.00 41.25 41.52 2qi3 s ASN 98 CO 0.06 -0.13 0.00 2.22 -1.51 0.00 0.00 177.10 177.74