#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qie s LYS 2 N 0.00 3.58 0.23 2.12 -0.14 -1.26 -5.03 119.74 119.24 2qie s LYS 2 Ca 0.00 -0.17 -0.06 0.00 -1.36 0.00 0.00 55.97 54.37 2qie s LYS 2 Cb 0.00 -2.86 0.21 0.00 -1.68 0.00 0.00 37.83 33.49 2qie s LYS 2 CO 0.00 0.47 1.78 0.37 -0.76 0.00 0.00 175.35 177.21 2qie h GLN 3 N 2.68 1.12 -4.27 1.68 4.15 -1.95 -3.40 115.11 115.12 2qie h GLN 3 Ca -0.46 -0.21 -0.59 0.00 0.77 0.00 0.00 58.65 58.15 2qie h GLN 3 Cb 1.17 -0.18 -0.38 0.00 0.21 0.00 0.00 27.48 28.30 2qie h GLN 3 CO 0.72 0.93 -0.79 -0.06 -1.93 0.00 0.00 178.83 177.70 2qie s PHE 4 N -5.46 2.13 -0.02 3.99 0.40 -1.26 -1.27 117.98 116.49 2qie s PHE 4 Ca -0.12 -1.51 -0.06 0.00 -0.60 0.00 0.00 56.93 54.64 2qie s PHE 4 Cb 0.16 -1.48 0.01 0.00 0.51 0.00 0.00 43.02 42.21 2qie s PHE 4 CO 0.83 -0.72 0.14 -2.00 0.70 0.00 0.00 175.22 174.17 2qie s GLU 5 N 1.49 0.36 -0.17 0.44 2.12 -0.76 -4.92 118.70 117.25 2qie s GLU 5 Ca -0.03 -0.18 -0.07 0.00 0.36 0.00 0.00 54.97 55.04 2qie s GLU 5 Cb -0.18 0.16 -0.04 0.00 0.26 0.00 0.00 34.13 34.33 2qie s GLU 5 CO -0.07 -0.08 0.08 0.42 -0.54 0.00 0.00 175.26 175.07 2qie s ILE 6 N -0.84 4.93 0.08 -3.70 -1.09 -1.26 -1.66 121.20 117.66 2qie s ILE 6 Ca -0.09 0.01 0.07 0.00 -2.23 0.00 0.00 60.65 58.41 2qie s ILE 6 Cb -0.05 -3.21 -0.03 0.00 -1.58 0.00 0.00 42.46 37.59 2qie s ILE 6 CO 0.01 0.49 -0.18 0.68 -1.23 0.00 0.00 174.94 174.71 2qie s VAL 7 N 0.12 1.43 -0.11 2.92 -7.23 -0.30 -4.98 120.40 112.26 2qie s VAL 7 Ca 0.06 -1.38 0.12 0.00 -1.81 0.00 0.00 61.98 58.97 2qie s VAL 7 Cb -0.12 -1.32 -0.24 0.00 0.56 0.00 0.00 36.38 35.27 2qie s VAL 7 CO 0.00 -0.09 0.42 -0.38 -0.31 0.00 0.00 175.10 174.74 2qie n ILE 8 N 1.30 1.56 -2.81 -0.62 5.41 -1.26 -1.02 119.36 121.92 2qie n ILE 8 Ca -0.20 -0.79 -0.33 0.00 1.00 0.00 0.00 62.75 62.43 2qie n ILE 8 Cb 0.54 -0.96 -0.07 0.00 -0.71 0.00 0.00 39.64 38.44 2qie n ILE 8 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 2qie s GLU 9 N -2.56 4.24 0.21 0.38 2.56 -1.26 -4.73 118.70 117.53 2qie s GLU 9 Ca -0.09 1.13 -0.32 0.00 0.00 0.00 0.00 54.97 55.69 2qie s GLU 9 Cb 0.07 -2.20 -0.15 0.00 2.00 0.00 0.00 34.13 33.86 2qie s GLU 9 CO 0.81 -0.02 1.25 -2.30 -0.56 0.00 0.00 175.26 174.43 2qie n PRO 10 N -0.60 1.52 -2.23 4.30 -0.02 -1.26 -4.88 135.00 131.82 2qie n PRO 10 Ca 0.07 0.54 -0.42 0.00 -2.02 0.00 0.00 63.50 61.67 2qie n PRO 10 Cb 0.54 -2.09 -0.03 0.00 -0.02 0.00 0.00 33.50 31.90 2qie n PRO 10 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qie s ILE 11 N -0.21 3.70 -0.27 4.25 1.01 -1.26 -5.00 121.20 123.41 2qie s ILE 11 Ca 0.70 1.10 -0.12 0.00 0.00 0.00 0.00 60.65 62.34 2qie s ILE 11 Cb -0.76 -3.71 -0.05 0.00 0.01 0.00 0.00 42.46 37.95 2qie s ILE 11 CO 0.52 0.01 0.22 -1.10 0.00 0.00 0.00 174.94 174.59 2qie s GLN 12 N 2.23 3.98 -0.18 2.79 -0.21 -1.26 -5.01 119.66 121.99 2qie s GLN 12 Ca 0.64 -0.24 -0.11 0.00 0.02 0.00 0.00 55.36 55.66 2qie s GLN 12 Cb -0.32 -3.65 -0.22 0.00 1.00 0.00 0.00 33.01 29.83 2qie s GLN 12 CO 0.27 -0.18 0.19 0.25 -2.12 0.00 0.00 175.29 173.70 2qie n THR 13 N 5.00 1.65 -0.07 -0.19 -2.24 -1.26 -4.25 114.28 112.92 2qie n THR 13 Ca -0.13 -0.41 0.15 0.00 -2.27 0.00 0.00 64.05 61.38 2qie n THR 13 Cb 0.52 -1.82 0.56 0.00 -2.10 0.00 0.00 70.33 67.49 2qie n THR 13 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 2qie h GLU 14 N -0.39 0.28 -0.18 -0.78 4.39 -2.02 -2.27 114.58 113.61 2qie h GLU 14 Ca -0.44 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.23 2qie h GLU 14 Cb 1.74 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 30.32 2qie h GLU 14 CO -0.08 0.18 0.05 -0.56 -1.16 0.00 0.00 179.01 177.45 2qie h GLN 15 N 0.28 0.24 -0.23 2.33 3.07 -2.00 -2.51 115.11 116.30 2qie h GLN 15 Ca 0.28 -0.03 -0.18 0.00 0.09 0.00 0.00 58.65 58.81 2qie h GLN 15 Cb 0.72 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.24 2qie h GLN 15 CO -0.06 0.23 -0.58 1.88 0.09 0.00 0.00 178.83 180.38 2qie h TYR 16 N 0.25 1.02 -0.18 0.06 -1.99 -1.66 0.85 116.97 115.31 2qie h TYR 16 Ca 0.06 -0.39 0.05 0.00 2.00 0.00 0.00 58.73 60.45 2qie h TYR 16 Cb 0.09 -0.18 -0.06 0.00 2.00 0.00 0.00 36.73 38.58 2qie h TYR 16 CO 0.00 1.21 -0.19 -0.09 -0.00 0.00 0.00 178.16 179.10 2qie h ARG 17 N 0.54 -0.20 -0.49 4.88 2.43 -1.63 -2.97 114.38 116.93 2qie h ARG 17 Ca -0.01 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.15 2qie h ARG 17 Cb 1.19 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 30.77 2qie h ARG 17 CO 0.13 -0.13 0.18 0.93 -1.51 0.00 0.00 179.97 179.56 2qie h GLU 18 N -0.21 0.71 -0.95 0.20 4.39 -0.99 -1.48 114.58 116.26 2qie h GLU 18 Ca 0.12 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.79 2qie h GLU 18 Cb 0.38 -0.13 -0.07 0.00 -0.10 0.00 0.00 28.75 28.84 2qie h GLU 18 CO -0.31 0.60 0.61 0.35 -1.16 0.00 0.00 179.01 179.11 2qie h PHE 19 N 0.70 1.09 -0.00 4.33 3.57 -0.70 -2.96 116.94 122.96 2qie h PHE 19 Ca 0.17 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.70 2qie h PHE 19 Cb 0.17 -0.35 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2qie h PHE 19 CO 0.01 0.53 -0.22 0.25 -2.23 0.00 0.00 178.31 176.66 2qie n THR 20 N -4.52 0.00 -2.96 4.41 -2.24 -0.57 -4.90 114.28 103.51 2qie n THR 20 Ca 0.15 -0.00 -0.39 0.00 -2.27 0.00 0.00 64.05 61.53 2qie n THR 20 Cb 0.24 -0.16 -0.06 0.00 -2.10 0.00 0.00 70.33 68.25 2qie n THR 20 CO 0.00 0.00 0.00 -0.63 -0.57 0.00 0.00 175.07 173.87 2qie s ILE 21 N -2.96 4.36 0.36 2.28 1.01 -1.12 -4.63 121.20 120.49 2qie s ILE 21 Ca 0.14 1.74 -0.07 0.00 0.00 0.00 0.00 60.65 62.45 2qie s ILE 21 Cb 0.18 -4.16 0.02 0.00 0.01 0.00 0.00 42.46 38.52 2qie s ILE 21 CO 0.60 0.51 0.59 0.54 0.00 0.00 0.00 174.94 177.18 2qie s ASN 22 N -1.09 0.58 0.66 3.58 2.20 -1.26 -5.04 114.94 114.56 2qie s ASN 22 Ca 0.36 -1.35 0.41 0.00 -0.94 0.00 0.00 52.86 51.35 2qie s ASN 22 Cb -0.23 0.73 2.28 0.00 -2.00 0.00 0.00 41.25 42.03 2qie s ASN 22 CO 0.27 -1.43 2.32 -0.33 -2.94 0.00 0.00 177.10 174.99 2qie h GLU 23 N 2.07 0.00 0.00 3.55 3.07 -2.04 -1.38 114.58 119.85 2qie h GLU 23 Ca -0.29 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.57 2qie h GLU 23 Cb 1.24 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2qie h GLU 23 CO 0.39 0.00 -0.39 1.88 -1.40 0.00 0.00 179.01 179.49 2qie h TYR 24 N 0.00 0.00 -3.41 4.33 -1.99 -1.99 -3.47 116.97 110.44 2qie h TYR 24 Ca 0.00 0.00 -0.59 0.00 2.00 0.00 0.00 58.73 60.14 2qie h TYR 24 Cb 0.06 0.00 -0.09 0.00 2.00 0.00 0.00 36.73 38.69 2qie h TYR 24 CO 0.00 0.00 0.10 -0.65 -0.00 0.00 0.00 178.16 177.61 2qie s GLN 25 N -3.22 4.22 -0.01 4.88 -1.52 -0.52 -3.94 119.66 119.55 2qie s GLN 25 Ca 0.06 0.61 0.20 0.00 -1.95 0.00 0.00 55.36 54.27 2qie s GLN 25 Cb 0.09 -3.57 -0.21 0.00 -0.22 0.00 0.00 33.01 29.10 2qie s GLN 25 CO 0.70 -0.21 0.57 0.41 -0.25 0.00 0.00 175.29 176.50 2qie n GLY 26 N 3.76 -1.12 2.89 3.09 0.00 -0.49 -4.82 105.19 108.49 2qie n GLY 26 Ca -0.02 -0.32 -0.13 0.00 0.00 0.00 0.00 46.02 45.55 2qie n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qie s ALA 27 N -3.09 0.09 -0.07 4.61 0.00 -0.79 -4.94 121.76 117.57 2qie s ALA 27 Ca -0.06 -0.04 0.04 0.00 0.00 0.00 0.00 51.96 51.90 2qie s ALA 27 Cb 0.10 -0.03 0.00 0.00 0.00 0.00 0.00 23.12 23.20 2qie s ALA 27 CO 0.85 0.02 -0.18 0.08 0.00 0.00 0.00 175.76 176.52 2qie s VAL 28 N -0.01 1.58 -0.13 0.00 1.01 -1.26 -1.27 120.40 120.32 2qie s VAL 28 Ca 0.00 -0.76 0.01 0.00 0.00 0.00 0.00 61.98 61.22 2qie s VAL 28 Cb -0.01 -1.38 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 2qie s VAL 28 CO -0.00 0.45 -0.15 -0.69 0.00 0.00 0.00 175.10 174.71 2qie s VAL 29 N 0.30 2.83 -0.13 2.92 1.01 0.51 -4.98 120.40 122.86 2qie s VAL 29 Ca -0.11 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.16 2qie s VAL 29 Cb -0.15 -2.18 0.01 0.00 0.00 0.00 0.00 36.38 34.06 2qie s VAL 29 CO 0.05 0.53 -0.22 -0.69 0.00 0.00 0.00 175.10 174.77 2qie s VAL 30 N 0.45 2.02 -0.16 2.92 1.01 -1.26 -0.97 120.40 124.40 2qie s VAL 30 Ca -0.11 -0.96 -0.05 0.00 0.00 0.00 0.00 61.98 60.86 2qie s VAL 30 Cb -0.16 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.41 2qie s VAL 30 CO 0.05 0.54 0.00 0.12 0.00 0.00 0.00 175.10 175.82 2qie s PHE 31 N 0.74 3.12 -0.08 5.22 5.36 0.48 -4.95 117.98 127.86 2qie s PHE 31 Ca -0.09 -0.14 0.04 0.00 -0.96 0.00 0.00 56.93 55.77 2qie s PHE 31 Cb -0.16 -2.00 -0.01 0.00 -0.34 0.00 0.00 43.02 40.51 2qie s PHE 31 CO 0.00 0.05 -0.20 0.95 -1.46 0.00 0.00 175.22 174.56 2qie s THR 32 N 0.34 2.49 -0.25 0.12 -4.23 -1.26 -0.57 115.64 112.27 2qie s THR 32 Ca -0.01 -0.90 -0.09 0.00 -1.18 0.00 0.00 61.69 59.50 2qie s THR 32 Cb -0.13 -1.96 -0.04 0.00 1.34 0.00 0.00 72.50 71.70 2qie s THR 32 CO 0.02 0.56 0.13 -0.83 -0.54 0.00 0.00 174.62 173.96 2qie s GLY 33 N -0.10 1.89 0.06 3.99 0.00 -0.18 -5.00 107.32 107.99 2qie s GLY 33 Ca -0.04 -1.03 0.07 0.00 0.00 0.00 0.00 44.72 43.72 2qie s GLY 33 CO 0.04 0.50 -0.15 0.30 0.00 0.00 0.00 173.10 173.79 2qie s HIS 34 N 1.43 2.63 0.08 1.90 3.76 -1.26 -0.24 115.29 123.60 2qie s HIS 34 Ca 0.06 -0.21 -0.31 0.00 -0.15 0.00 0.00 55.06 54.46 2qie s HIS 34 Cb -0.15 -1.46 -0.07 0.00 1.11 0.00 0.00 32.58 32.02 2qie s HIS 34 CO 0.06 0.33 1.32 0.08 -0.85 0.00 0.00 174.74 175.68 2qie s VAL 35 N -1.03 3.62 -0.18 -0.90 1.01 -0.68 -4.84 120.40 117.41 2qie s VAL 35 Ca 0.17 1.15 -0.07 0.00 0.00 0.00 0.00 61.98 63.23 2qie s VAL 35 Cb -0.11 -3.74 -0.04 0.00 0.00 0.00 0.00 36.38 32.50 2qie s VAL 35 CO 0.08 0.08 0.04 -0.60 0.00 0.00 0.00 175.10 174.70 2qie s ARG 36 N 1.23 3.91 0.11 2.72 3.52 -1.26 0.21 118.95 129.39 2qie s ARG 36 Ca 0.62 -0.37 -0.13 0.00 -0.13 0.00 0.00 55.73 55.72 2qie s ARG 36 Cb -0.33 -3.16 -0.10 0.00 -1.56 0.00 0.00 34.95 29.80 2qie s ARG 36 CO 0.29 0.28 1.39 1.49 -0.81 0.00 0.00 175.30 177.94 2qie h GLU 37 N 6.65 0.82 -5.16 5.12 4.81 -1.94 -3.41 114.58 121.46 2qie h GLU 37 Ca -0.36 -0.52 -0.67 0.00 -0.13 0.00 0.00 59.36 57.68 2qie h GLU 37 Cb 1.17 0.06 -0.34 0.00 0.63 0.00 0.00 28.75 30.27 2qie h GLU 37 CO 0.69 1.15 -0.87 -1.58 -0.73 0.00 0.00 179.01 177.67 2qie s TRP 38 N -4.12 2.60 -0.36 0.92 0.52 -1.26 0.08 118.94 117.32 2qie s TRP 38 Ca -0.11 -1.30 0.02 0.00 0.02 0.00 0.00 56.10 54.73 2qie s TRP 38 Cb 0.09 -1.77 0.11 0.00 -1.15 0.00 0.00 33.47 30.75 2qie s TRP 38 CO 0.88 -0.60 0.11 0.99 0.02 0.00 0.00 176.95 178.35 2qie s THR 39 N 0.82 1.67 -1.18 2.01 2.01 -0.19 -4.87 115.64 115.91 2qie s THR 39 Ca -0.07 -2.13 -0.32 0.00 0.31 0.00 0.00 61.69 59.48 2qie s THR 39 Cb -0.16 -2.23 0.04 0.00 0.01 0.00 0.00 72.50 70.17 2qie s THR 39 CO -0.02 -0.69 0.68 2.29 -0.69 0.00 0.00 174.62 176.19 2qie n LYS 40 N 4.26 -0.37 0.00 4.92 2.85 -1.26 -1.66 118.16 126.90 2qie n LYS 40 Ca 0.03 0.14 0.00 0.00 -1.05 0.00 0.00 58.31 57.43 2qie n LYS 40 Cb 0.40 -2.53 0.00 0.00 -0.65 0.00 0.00 35.03 32.25 2qie n LYS 40 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 2qie n GLY 41 N -2.05 2.83 3.77 2.58 0.00 -1.26 -5.04 105.19 106.01 2qie n GLY 41 Ca -0.13 -0.37 -0.39 0.00 0.00 0.00 0.00 46.02 45.14 2qie n GLY 41 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qie s VAL 42 N -1.63 3.68 -0.22 1.61 1.01 -0.66 -5.05 120.40 119.14 2qie s VAL 42 Ca 0.00 1.55 -0.06 0.00 0.00 0.00 0.00 61.98 63.46 2qie s VAL 42 Cb 0.00 -3.93 -0.03 0.00 0.00 0.00 0.00 36.38 32.42 2qie s VAL 42 CO 0.00 0.26 0.04 -0.75 0.00 0.00 0.00 175.10 174.65 2qie s LYS 43 N -1.76 3.68 -0.19 2.72 2.36 -1.26 -1.02 119.74 124.27 2qie s LYS 43 Ca 0.48 -0.48 -0.13 0.00 -2.55 0.00 0.00 55.97 53.30 2qie s LYS 43 Cb -0.27 -3.22 -0.05 0.00 -1.05 0.00 0.00 37.83 33.24 2qie s LYS 43 CO 0.35 -0.05 0.25 0.99 1.55 0.00 0.00 175.35 178.44 2qie s THR 44 N 1.22 5.32 -0.05 3.43 2.01 0.11 -4.60 115.64 123.09 2qie s THR 44 Ca 0.04 0.43 -0.14 0.00 0.31 0.00 0.00 61.69 62.34 2qie s THR 44 Cb -0.14 -3.59 -0.08 0.00 0.01 0.00 0.00 72.50 68.69 2qie s THR 44 CO 0.03 0.37 0.56 -0.33 -0.69 0.00 0.00 174.62 174.55 2qie h GLU 45 N 6.95 -0.38 -2.78 4.92 4.39 -1.20 -3.43 114.58 123.05 2qie h GLU 45 Ca -0.40 0.03 0.10 0.00 0.34 0.00 0.00 59.36 59.42 2qie h GLU 45 Cb 1.16 0.09 -0.07 0.00 -0.10 0.00 0.00 28.75 29.83 2qie h GLU 45 CO 0.73 -0.19 0.31 1.52 -1.16 0.00 0.00 179.01 180.23 2qie s TYR 46 N -3.02 -0.21 0.28 4.33 -0.85 -1.19 -4.56 117.35 112.13 2qie s TYR 46 Ca -0.07 -0.17 0.09 0.00 -0.52 0.00 0.00 57.07 56.39 2qie s TYR 46 Cb 0.01 0.67 -0.04 0.00 0.38 0.00 0.00 41.96 42.97 2qie s TYR 46 CO 0.24 -1.06 0.04 -0.51 -1.52 0.00 0.00 175.55 172.74 2qie s LEU 47 N -2.90 3.26 -0.16 -3.49 1.43 -0.82 -2.02 118.68 113.98 2qie s LEU 47 Ca 0.10 -0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 52.52 2qie s LEU 47 Cb -0.04 -1.77 0.06 0.00 0.03 0.00 0.00 46.19 44.47 2qie s LEU 47 CO 0.03 -0.06 0.08 -0.70 0.23 0.00 0.00 176.35 175.94 2qie s GLU 48 N -3.72 0.10 0.01 1.70 2.12 -0.96 -0.61 118.70 117.35 2qie s GLU 48 Ca 0.33 -0.08 -0.12 0.00 0.36 0.00 0.00 54.97 55.46 2qie s GLU 48 Cb -0.06 -1.76 -0.05 0.00 0.26 0.00 0.00 34.13 32.52 2qie s GLU 48 CO 0.21 -0.64 0.37 0.71 -0.54 0.00 0.00 175.26 175.37 2qie s TYR 49 N 2.12 3.67 0.25 5.30 1.51 -0.57 -0.66 117.35 128.96 2qie s TYR 49 Ca 0.02 0.87 0.02 0.00 -1.01 0.00 0.00 57.07 56.97 2qie s TYR 49 Cb -0.16 -2.20 -0.05 0.00 -0.11 0.00 0.00 41.96 39.44 2qie s TYR 49 CO -0.08 0.62 0.07 -1.83 -1.11 0.00 0.00 175.55 173.21 2qie s GLU 50 N -1.35 1.39 0.09 -0.62 -1.05 -0.36 -0.90 118.70 115.90 2qie s GLU 50 Ca 0.26 -1.74 -0.22 0.00 -0.15 0.00 0.00 54.97 53.11 2qie s GLU 50 Cb -0.15 -0.38 0.06 0.00 -0.44 0.00 0.00 34.13 33.21 2qie s GLU 50 CO 0.14 -0.24 0.54 0.00 0.95 0.00 0.00 175.26 176.65 2qie s ALA 51 N -3.65 -1.38 -0.91 -0.84 0.00 -1.26 -1.05 121.76 112.68 2qie s ALA 51 Ca 0.35 0.51 -0.16 0.00 0.00 0.00 0.00 51.96 52.66 2qie s ALA 51 Cb 0.07 0.56 0.18 0.00 0.00 0.00 0.00 23.12 23.94 2qie s ALA 51 CO 0.12 -0.60 0.98 -0.47 0.00 0.00 0.00 175.76 175.79 2qie s TYR 52 N -2.97 3.51 0.11 0.00 5.04 -0.81 -4.97 117.35 117.27 2qie s TYR 52 Ca -0.02 -1.79 -0.31 0.00 -2.44 0.00 0.00 57.07 52.50 2qie s TYR 52 Cb -0.00 -4.04 -0.10 0.00 0.35 0.00 0.00 41.96 38.16 2qie s TYR 52 CO -0.06 -1.22 1.59 0.82 -1.34 0.00 0.00 175.55 175.34 2qie h ILE 53 N 5.15 0.16 -0.32 3.14 2.04 -1.98 0.34 117.51 126.05 2qie h ILE 53 Ca 0.15 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.98 2qie h ILE 53 Cb 1.01 0.16 -0.02 0.00 -0.74 0.00 0.00 36.82 37.24 2qie h ILE 53 CO 0.94 0.00 0.09 1.55 0.00 0.00 0.00 178.15 180.73 2qie h PRO 54 N -0.66 0.45 0.03 2.37 0.13 -1.99 0.05 132.00 132.37 2qie h PRO 54 Ca 0.02 -0.06 -0.27 0.00 -0.87 0.00 0.00 66.00 64.81 2qie h PRO 54 Cb 0.68 -0.08 0.02 0.00 0.13 0.00 0.00 31.00 31.75 2qie h PRO 54 CO -0.23 0.41 -1.09 1.98 -0.23 0.00 0.00 178.00 178.84 2qie h MET 55 N 0.45 0.68 -0.75 0.86 4.05 -1.83 -2.47 114.93 115.92 2qie h MET 55 Ca 0.11 -0.77 -0.05 0.00 -0.28 0.00 0.00 59.70 58.71 2qie h MET 55 Cb 0.16 0.23 -0.03 0.00 -0.80 0.00 0.00 31.60 31.15 2qie h MET 55 CO -0.01 1.34 0.28 0.00 0.23 0.00 0.00 176.91 178.75 2qie h ALA 56 N 0.38 1.07 -0.48 0.39 0.00 0.11 0.71 119.26 121.45 2qie h ALA 56 Ca -0.14 -0.20 -0.13 0.00 0.00 0.00 0.00 54.91 54.44 2qie h ALA 56 Cb 1.75 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.23 2qie h ALA 56 CO 0.21 0.65 -0.21 0.93 0.00 0.00 0.00 179.25 180.83 2qie h GLU 57 N 1.10 0.99 -0.54 0.00 5.08 -1.05 -1.28 114.58 118.87 2qie h GLU 57 Ca 0.25 -0.42 0.05 0.00 -1.00 0.00 0.00 59.36 58.24 2qie h GLU 57 Cb 0.24 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.41 2qie h GLU 57 CO -0.02 1.09 0.28 0.87 -1.00 0.00 0.00 179.01 180.24 2qie h LYS 58 N 0.85 0.53 -0.14 2.33 1.57 -1.01 -2.58 116.57 118.12 2qie h LYS 58 Ca 0.11 -0.03 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 2qie h LYS 58 Cb 0.79 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.97 2qie h LYS 58 CO 0.07 0.35 -0.38 0.87 -0.57 0.00 0.00 179.45 179.79 2qie h LYS 59 N 0.55 0.30 -0.47 3.15 1.79 -0.60 -1.55 116.57 119.73 2qie h LYS 59 Ca 0.24 -0.13 -0.10 0.00 -2.18 0.00 0.00 60.65 58.47 2qie h LYS 59 Cb 0.14 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 2qie h LYS 59 CO -0.16 0.64 -0.09 -0.07 -1.08 0.00 0.00 179.45 178.68 2qie h LEU 60 N 0.25 0.90 -1.21 2.94 3.38 -1.13 -2.55 115.31 117.88 2qie h LEU 60 Ca 0.03 -0.35 -0.05 0.00 0.09 0.00 0.00 57.88 57.59 2qie h LEU 60 Cb 0.79 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.27 2qie h LEU 60 CO 0.06 1.04 -0.05 0.00 0.09 0.00 0.00 178.44 179.59 2qie h ALA 61 N 0.89 1.36 -0.06 1.53 0.00 -1.19 -2.07 119.26 119.71 2qie h ALA 61 Ca 0.12 -0.22 -0.04 0.00 0.00 0.00 0.00 54.91 54.77 2qie h ALA 61 Cb 0.64 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 2qie h ALA 61 CO 0.04 0.44 -0.16 0.37 0.00 0.00 0.00 179.25 179.94 2qie h GLN 62 N 0.46 0.09 -0.09 0.00 4.15 -1.05 -1.61 115.11 117.06 2qie h GLN 62 Ca 0.10 -0.02 -0.19 0.00 0.77 0.00 0.00 58.65 59.31 2qie h GLN 62 Cb 0.37 -0.01 0.01 0.00 0.21 0.00 0.00 27.48 28.06 2qie h GLN 62 CO 0.02 0.26 -0.67 0.82 -1.93 0.00 0.00 178.83 177.32 2qie h ILE 63 N 0.09 1.34 -0.63 2.39 2.04 -0.98 -1.91 117.51 119.85 2qie h ILE 63 Ca 0.02 -1.96 0.13 0.00 1.00 0.00 0.00 64.86 64.05 2qie h ILE 63 Cb 0.34 2.21 -0.11 0.00 -0.74 0.00 0.00 36.82 38.52 2qie h ILE 63 CO 0.02 0.60 -0.10 1.23 0.00 0.00 0.00 178.15 179.90 2qie h GLY 64 N 0.25 0.54 0.99 5.37 0.00 -1.00 0.26 103.07 109.48 2qie h GLY 64 Ca -0.06 0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.44 2qie h GLY 64 CO 0.14 -0.23 0.39 -0.55 0.00 0.00 0.00 176.54 176.28 2qie h ASP 65 N 0.04 0.66 -0.79 0.19 3.32 -1.21 -0.34 116.42 118.29 2qie h ASP 65 Ca 0.31 -0.02 -0.01 0.00 0.02 0.00 0.00 57.03 57.33 2qie h ASP 65 Cb 0.49 -0.16 -0.04 0.00 0.22 0.00 0.00 39.33 39.84 2qie h ASP 65 CO -0.61 0.48 0.44 -0.33 -1.72 0.00 0.00 179.24 177.50 2qie h GLU 66 N 0.79 1.10 -0.33 3.56 5.08 -0.65 -0.19 114.58 123.92 2qie h GLU 66 Ca 0.22 -0.13 -0.05 0.00 -1.00 0.00 0.00 59.36 58.40 2qie h GLU 66 Cb -0.08 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 28.94 2qie h GLU 66 CO -0.05 0.81 -0.01 0.82 -1.00 0.00 0.00 179.01 179.58 2qie h ILE 67 N 1.09 1.26 -0.44 3.13 2.04 -0.68 -0.59 117.51 123.31 2qie h ILE 67 Ca 0.28 -0.97 0.01 0.00 1.00 0.00 0.00 64.86 65.17 2qie h ILE 67 Cb 0.03 1.24 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 2qie h ILE 67 CO -0.05 0.32 0.29 0.78 0.00 0.00 0.00 178.15 179.50 2qie h ASN 68 N 0.39 0.49 0.32 1.72 2.35 -0.77 0.28 115.58 120.36 2qie h ASN 68 Ca 0.09 -0.01 -0.02 0.00 -0.55 0.00 0.00 56.30 55.82 2qie h ASN 68 Cb 0.46 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.71 2qie h ASN 68 CO 0.02 0.35 -0.15 -0.08 -1.65 0.00 0.00 177.43 175.92 2qie h GLU 69 N 0.58 -0.41 0.05 0.81 4.57 -0.68 -3.19 114.58 116.31 2qie h GLU 69 Ca 0.17 0.03 -0.23 0.00 -1.18 0.00 0.00 59.36 58.15 2qie h GLU 69 Cb -0.03 0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.64 2qie h GLU 69 CO -0.04 -0.11 -1.04 0.87 -1.18 0.00 0.00 179.01 177.51 2qie h LYS 70 N -0.70 0.16 -2.78 1.92 1.57 -0.89 -3.39 116.57 112.46 2qie h LYS 70 Ca -0.04 -0.23 -0.61 0.00 -1.87 0.00 0.00 60.65 57.90 2qie h LYS 70 Cb 0.48 0.08 -0.40 0.00 0.08 0.00 0.00 32.23 32.47 2qie h LYS 70 CO 0.07 1.06 -0.73 0.91 -0.57 0.00 0.00 179.45 180.19 2qie n TRP 71 N -3.52 1.62 -1.67 -1.35 8.01 0.98 -5.09 117.44 116.42 2qie n TRP 71 Ca -0.04 -3.92 -0.43 0.00 -1.31 0.00 0.00 57.50 51.81 2qie n TRP 71 Cb 0.92 -0.28 -0.00 0.00 -2.01 0.00 0.00 31.31 29.94 2qie n TRP 71 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.69 174.38 2qie n PRO 72 N 2.26 1.92 0.00 -0.99 -0.02 -1.20 -2.38 135.00 134.58 2qie n PRO 72 Ca 0.24 0.67 0.00 0.00 -2.02 0.00 0.00 63.50 62.39 2qie n PRO 72 Cb 0.40 -2.23 0.00 0.00 -0.02 0.00 0.00 33.50 31.65 2qie n PRO 72 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qie n GLY 73 N 0.88 0.80 3.79 -1.23 0.00 -1.26 -4.95 105.19 103.21 2qie n GLY 73 Ca 0.06 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.72 2qie n GLY 73 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2qie s THR 74 N -2.21 3.90 -0.01 2.61 -4.23 -1.00 -4.43 115.64 110.27 2qie s THR 74 Ca 0.00 1.39 0.08 0.00 -1.18 0.00 0.00 61.69 61.97 2qie s THR 74 Cb 0.00 -3.68 -0.02 0.00 1.34 0.00 0.00 72.50 70.14 2qie s THR 74 CO 0.00 -0.06 -0.25 -0.63 -0.54 0.00 0.00 174.62 173.14 2qie s ILE 75 N -1.78 2.19 0.00 2.99 1.01 -0.78 -4.84 121.20 119.99 2qie s ILE 75 Ca 0.59 -1.12 0.02 0.00 0.00 0.00 0.00 60.65 60.14 2qie s ILE 75 Cb -0.19 -1.78 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 2qie s ILE 75 CO 0.24 0.54 -0.08 -0.89 0.00 0.00 0.00 174.94 174.75 2qie s THR 76 N -0.67 0.60 -0.05 2.92 2.01 -1.26 -1.06 115.64 118.13 2qie s THR 76 Ca 0.11 -0.46 -0.05 0.00 0.31 0.00 0.00 61.69 61.59 2qie s THR 76 Cb -0.10 -0.53 0.01 0.00 0.01 0.00 0.00 72.50 71.89 2qie s THR 76 CO -0.00 0.07 0.14 -0.55 -0.69 0.00 0.00 174.62 173.59 2qie s SER 77 N -0.44 -0.12 -0.05 3.53 0.15 -0.13 -4.93 113.70 111.70 2qie s SER 77 Ca 0.01 0.22 -0.02 0.00 0.70 0.00 0.00 55.95 56.86 2qie s SER 77 Cb -0.04 0.28 0.03 0.00 -1.71 0.00 0.00 66.02 64.58 2qie s SER 77 CO -0.00 -0.09 0.11 -0.63 1.20 0.00 0.00 173.24 173.83 2qie s ILE 78 N -0.11 -0.05 -0.02 6.45 1.01 -0.40 -0.98 121.20 127.11 2qie s ILE 78 Ca -0.02 0.17 0.03 0.00 0.00 0.00 0.00 60.65 60.82 2qie s ILE 78 Cb -0.02 -0.19 -0.00 0.00 0.01 0.00 0.00 42.46 42.26 2qie s ILE 78 CO 0.00 0.07 -0.10 0.54 0.00 0.00 0.00 174.94 175.45 2qie s VAL 79 N 1.00 0.81 -0.05 2.92 0.11 -0.80 -1.84 120.40 122.56 2qie s VAL 79 Ca -0.08 -0.40 0.04 0.00 -2.93 0.00 0.00 61.98 58.61 2qie s VAL 79 Cb -0.10 -0.70 0.00 0.00 -1.53 0.00 0.00 36.38 34.04 2qie s VAL 79 CO -0.04 0.24 -0.16 -2.28 -3.33 0.00 0.00 175.10 169.53 2qie s HIS 80 N 0.01 1.67 0.25 1.54 2.46 -0.66 -0.88 115.29 119.67 2qie s HIS 80 Ca -0.00 -0.51 -0.05 0.00 0.47 0.00 0.00 55.06 54.97 2qie s HIS 80 Cb -0.07 -1.14 -0.05 0.00 -0.13 0.00 0.00 32.58 31.19 2qie s HIS 80 CO 0.00 -0.19 0.50 0.50 -2.47 0.00 0.00 174.74 173.08 2qie s ARG 81 N 0.17 3.64 0.35 2.88 3.52 0.10 -1.15 118.95 128.45 2qie s ARG 81 Ca -0.06 -0.03 0.03 0.00 -0.13 0.00 0.00 55.73 55.54 2qie s ARG 81 Cb -0.12 -2.71 -0.04 0.00 -1.56 0.00 0.00 34.95 30.52 2qie s ARG 81 CO 0.03 0.30 0.12 0.96 -0.81 0.00 0.00 175.30 175.89 2qie s ILE 82 N -1.95 0.64 0.00 4.11 -4.36 -0.18 -4.89 121.20 114.57 2qie s ILE 82 Ca 0.43 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.82 2qie s ILE 82 Cb -0.11 -2.52 0.00 0.00 1.25 0.00 0.00 42.46 41.08 2qie s ILE 82 CO 0.28 0.00 0.00 0.61 0.24 0.00 0.00 174.94 176.07 2qie n GLY 83 N -0.73 -1.79 3.72 6.27 0.00 -0.08 -4.66 105.19 107.92 2qie n GLY 83 Ca -0.03 -1.87 -0.42 0.00 0.00 0.00 0.00 46.02 43.70 2qie n GLY 83 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qie s PRO 84 N 0.00 4.50 -0.08 1.61 0.04 -1.26 -1.51 135.00 138.30 2qie s PRO 84 Ca 0.00 1.71 0.02 0.00 0.04 0.00 0.00 61.00 62.78 2qie s PRO 84 Cb 0.00 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 31.22 2qie s PRO 84 CO 0.00 -0.12 -0.15 -0.51 0.04 0.00 0.00 177.00 176.26 2qie s LEU 85 N 0.54 1.74 0.71 -3.56 1.02 0.22 -4.98 118.68 114.37 2qie s LEU 85 Ca 0.55 -0.38 -0.08 0.00 0.02 0.00 0.00 54.13 54.24 2qie s LEU 85 Cb -0.28 -0.99 0.06 0.00 0.02 0.00 0.00 46.19 44.99 2qie s LEU 85 CO 0.31 0.05 1.04 -1.10 0.02 0.00 0.00 176.35 176.67 2qie s GLN 86 N 0.67 2.24 0.08 1.70 -1.52 -1.26 -1.95 119.66 119.62 2qie s GLN 86 Ca -0.14 -0.14 -0.36 0.00 -1.95 0.00 0.00 55.36 52.77 2qie s GLN 86 Cb -0.16 -2.13 -0.16 0.00 -0.22 0.00 0.00 33.01 30.33 2qie s GLN 86 CO 0.04 -1.25 1.39 -0.89 -0.25 0.00 0.00 175.29 174.33 2qie n ILE 87 N -2.97 0.02 -0.85 1.08 2.08 -1.26 -1.53 119.36 115.93 2qie n ILE 87 Ca 0.08 -0.00 0.00 0.00 0.56 0.00 0.00 62.75 63.38 2qie n ILE 87 Cb 0.60 -0.95 0.00 0.00 -0.75 0.00 0.00 39.64 38.54 2qie n ILE 87 CO 0.00 0.00 0.00 -1.20 0.56 0.00 0.00 176.55 175.91 2qie n SER 88 N 2.79 -0.39 -4.77 4.38 7.64 0.13 -4.90 113.62 118.49 2qie n SER 88 Ca 0.18 0.00 -0.39 0.00 1.01 0.00 0.00 58.87 59.68 2qie n SER 88 Cb 0.20 -0.92 -0.01 0.00 -1.01 0.00 0.00 64.21 62.47 2qie n SER 88 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2qie s ASP 89 N -2.59 6.34 -0.33 6.43 1.01 -0.58 -4.54 116.67 122.40 2qie s ASP 89 Ca 0.00 2.53 -0.29 0.00 0.71 0.00 0.00 52.55 55.50 2qie s ASP 89 Cb 0.00 -2.63 0.02 0.00 1.01 0.00 0.00 42.92 41.32 2qie s ASP 89 CO 0.00 -0.82 1.10 -0.63 0.21 0.00 0.00 175.17 175.03 2qie s ILE 90 N -1.33 4.46 -0.07 0.77 1.01 -1.26 -1.69 121.20 123.08 2qie s ILE 90 Ca 0.58 1.67 0.09 0.00 0.00 0.00 0.00 60.65 62.99 2qie s ILE 90 Cb -0.35 -4.41 -0.24 0.00 0.01 0.00 0.00 42.46 37.47 2qie s ILE 90 CO 0.44 -0.52 0.56 0.00 0.00 0.00 0.00 174.94 175.42 2qie n ALA 91 N 6.99 1.38 -3.00 9.38 0.00 0.67 -4.67 120.51 131.27 2qie n ALA 91 Ca 0.12 -0.77 -0.12 0.00 0.00 0.00 0.00 53.44 52.67 2qie n ALA 91 Cb 0.47 -0.77 -0.12 0.00 0.00 0.00 0.00 19.45 19.03 2qie n ALA 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2qie s VAL 92 N -2.58 0.03 -0.02 0.00 0.11 -1.20 0.03 120.40 116.77 2qie s VAL 92 Ca -0.09 -0.26 0.03 0.00 -2.93 0.00 0.00 61.98 58.73 2qie s VAL 92 Cb 0.08 -0.21 -0.00 0.00 -1.53 0.00 0.00 36.38 34.72 2qie s VAL 92 CO 0.81 -0.14 -0.10 -0.22 -3.33 0.00 0.00 175.10 172.12 2qie s LEU 93 N -0.43 1.88 -0.11 2.54 0.20 -0.06 -1.01 118.68 121.70 2qie s LEU 93 Ca -0.05 -0.19 -0.01 0.00 0.69 0.00 0.00 54.13 54.57 2qie s LEU 93 Cb -0.03 -0.54 0.03 0.00 -0.43 0.00 0.00 46.19 45.21 2qie s LEU 93 CO 0.00 0.09 -0.04 -0.63 -0.29 0.00 0.00 176.35 175.48 2qie s ILE 94 N 0.02 0.76 -0.13 6.68 1.01 0.27 -1.90 121.20 127.90 2qie s ILE 94 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 60.65 60.49 2qie s ILE 94 Cb -0.07 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.53 2qie s ILE 94 CO 0.00 0.27 -0.21 0.00 0.00 0.00 0.00 174.94 175.00 2qie s ALA 95 N 1.81 2.28 -0.09 9.38 0.00 -0.15 -0.39 121.76 134.60 2qie s ALA 95 Ca 0.04 -1.04 0.01 0.00 0.00 0.00 0.00 51.96 50.97 2qie s ALA 95 Cb -0.13 -0.99 0.02 0.00 0.00 0.00 0.00 23.12 22.03 2qie s ALA 95 CO -0.07 0.07 -0.09 0.08 0.00 0.00 0.00 175.76 175.76 2qie s VAL 96 N 0.66 1.00 0.09 0.00 1.01 -0.14 -0.96 120.40 122.05 2qie s VAL 96 Ca -0.10 -0.33 0.02 0.00 0.00 0.00 0.00 61.98 61.57 2qie s VAL 96 Cb -0.16 -0.98 -0.04 0.00 0.00 0.00 0.00 36.38 35.20 2qie s VAL 96 CO 0.02 0.34 0.12 -0.94 0.00 0.00 0.00 175.10 174.65 2qie s SER 97 N 1.24 5.75 -0.01 3.32 1.04 -0.23 -0.36 113.70 124.45 2qie s SER 97 Ca -0.04 0.05 -0.24 0.00 0.48 0.00 0.00 55.95 56.20 2qie s SER 97 Cb -0.14 -1.61 0.05 0.00 0.10 0.00 0.00 66.02 64.43 2qie s SER 97 CO -0.03 0.16 0.53 -0.55 0.98 0.00 0.00 173.24 174.33 2qie s SER 98 N -2.52 -0.47 0.30 7.02 0.15 -0.40 -1.87 113.70 115.91 2qie s SER 98 Ca 0.31 0.39 0.05 0.00 0.70 0.00 0.00 55.95 57.40 2qie s SER 98 Cb -0.12 0.47 0.76 0.00 -1.71 0.00 0.00 66.02 65.41 2qie s SER 98 CO 0.24 -0.60 1.72 -0.65 1.20 0.00 0.00 173.24 175.14 2qie h PRO 99 N 3.16 0.48 -6.11 5.44 0.11 -1.78 -1.12 132.00 132.18 2qie h PRO 99 Ca -0.29 -0.03 -0.55 0.00 0.11 0.00 0.00 66.00 65.24 2qie h PRO 99 Cb 1.17 -0.11 -0.19 0.00 0.11 0.00 0.00 31.00 31.98 2qie h PRO 99 CO 0.40 0.32 -0.80 -1.01 -0.21 0.00 0.00 178.00 176.69 2qie s HIS 100 N -5.86 1.87 0.17 0.65 3.76 -1.26 -2.36 115.29 112.27 2qie s HIS 100 Ca -0.11 -0.44 -0.09 0.00 -0.15 0.00 0.00 55.06 54.27 2qie s HIS 100 Cb 0.25 -0.97 0.05 0.00 1.11 0.00 0.00 32.58 33.03 2qie s HIS 100 CO 0.79 0.30 1.57 0.07 -0.85 0.00 0.00 174.74 176.62 2qie h ARG 101 N 3.55 0.96 -0.14 1.40 0.11 -1.92 -3.08 114.38 115.25 2qie h ARG 101 Ca -0.44 -0.40 0.01 0.00 0.10 0.00 0.00 59.98 59.25 2qie h ARG 101 Cb 1.20 -0.04 -0.01 0.00 1.11 0.00 0.00 29.97 32.23 2qie h ARG 101 CO 0.46 1.07 0.05 0.87 0.10 0.00 0.00 179.97 182.53 2qie h LYS 102 N 0.83 0.12 -0.55 0.08 1.57 -1.98 -1.64 116.57 115.00 2qie h LYS 102 Ca 0.11 -0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.95 2qie h LYS 102 Cb 0.78 -0.03 -0.06 0.00 0.08 0.00 0.00 32.23 33.00 2qie h LYS 102 CO 0.06 0.08 0.22 -0.44 -0.57 0.00 0.00 179.45 178.81 2qie h ASP 103 N 0.13 0.26 -0.25 0.86 5.19 -1.98 0.19 116.42 120.82 2qie h ASP 103 Ca 0.06 0.06 0.05 0.00 -0.62 0.00 0.00 57.03 56.58 2qie h ASP 103 Cb 0.02 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 39.50 2qie h ASP 103 CO -0.05 0.17 -0.09 0.00 -3.12 0.00 0.00 179.24 176.15 2qie h ALA 104 N 1.35 0.13 -0.41 3.45 0.00 -1.34 0.40 119.26 122.83 2qie h ALA 104 Ca 0.26 0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.23 2qie h ALA 104 Cb 0.27 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.28 2qie h ALA 104 CO -0.24 -0.50 0.12 1.88 0.00 0.00 0.00 179.25 180.51 2qie h TYR 105 N -0.04 0.67 -0.25 0.00 -1.99 -0.90 -2.30 116.97 112.15 2qie h TYR 105 Ca 0.13 -0.07 -0.01 0.00 2.00 0.00 0.00 58.73 60.77 2qie h TYR 105 Cb 0.23 -0.19 -0.01 0.00 2.00 0.00 0.00 36.73 38.76 2qie h TYR 105 CO -0.27 0.62 0.11 0.00 -0.00 0.00 0.00 178.16 178.63 2qie h ARG 106 N 0.52 0.36 -0.52 4.88 2.47 -0.58 -2.18 114.38 119.33 2qie h ARG 106 Ca 0.13 -0.06 -0.06 0.00 -1.26 0.00 0.00 59.98 58.73 2qie h ARG 106 Cb 0.28 -0.06 -0.02 0.00 -1.65 0.00 0.00 29.97 28.51 2qie h ARG 106 CO -0.00 0.38 0.10 0.00 0.56 0.00 0.00 179.97 181.00 2qie h ALA 107 N 0.97 0.69 -0.18 0.04 0.00 -0.26 -1.36 119.26 119.15 2qie h ALA 107 Ca 0.09 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2qie h ALA 107 Cb 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 2qie h ALA 107 CO -0.01 0.41 0.08 -0.97 0.00 0.00 0.00 179.25 178.77 2qie h ASN 108 N 0.74 0.25 -0.42 0.00 -0.73 -1.37 -1.61 115.58 112.43 2qie h ASN 108 Ca 0.16 -0.14 -0.05 0.00 1.87 0.00 0.00 56.30 58.14 2qie h ASN 108 Cb 0.38 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.88 2qie h ASN 108 CO 0.01 0.31 0.09 -0.08 -0.37 0.00 0.00 177.43 177.40 2qie h GLU 109 N 0.16 0.75 -0.33 6.67 4.81 -1.26 -2.00 114.58 123.39 2qie h GLU 109 Ca 0.06 -0.16 0.01 0.00 -0.13 0.00 0.00 59.36 59.14 2qie h GLU 109 Cb 0.14 -0.11 -0.02 0.00 0.63 0.00 0.00 28.75 29.39 2qie h GLU 109 CO -0.01 0.70 0.21 -0.92 -0.73 0.00 0.00 179.01 178.27 2qie h TYR 110 N 0.73 0.40 -0.24 0.92 3.20 -1.04 -2.57 116.97 118.37 2qie h TYR 110 Ca 0.16 0.01 0.06 0.00 3.14 0.00 0.00 58.73 62.10 2qie h TYR 110 Cb 0.31 -0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.38 2qie h TYR 110 CO 0.02 0.25 -0.14 0.00 -1.64 0.00 0.00 178.16 176.64 2qie h ALA 111 N 1.13 0.04 -0.63 1.82 0.00 -0.58 0.11 119.26 121.16 2qie h ALA 111 Ca 0.12 0.09 -0.04 0.00 0.00 0.00 0.00 54.91 55.09 2qie h ALA 111 Cb -0.04 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.05 2qie h ALA 111 CO -0.03 -0.56 0.24 0.97 0.00 0.00 0.00 179.25 179.87 2qie h ILE 112 N -0.12 1.22 -0.24 0.00 6.09 -1.41 -1.56 117.51 121.49 2qie h ILE 112 Ca 0.13 -0.72 -0.00 0.00 -1.37 0.00 0.00 64.86 62.90 2qie h ILE 112 Cb 0.33 0.49 -0.01 0.00 0.47 0.00 0.00 36.82 38.10 2qie h ILE 112 CO -0.32 0.29 0.14 -0.33 -3.07 0.00 0.00 178.15 174.85 2qie h GLU 113 N 0.91 0.32 -0.31 2.19 4.39 -0.93 -2.69 114.58 118.46 2qie h GLU 113 Ca 0.21 -0.03 -0.08 0.00 0.34 0.00 0.00 59.36 59.80 2qie h GLU 113 Cb 0.20 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.77 2qie h GLU 113 CO -0.02 0.27 -0.15 0.00 -1.16 0.00 0.00 179.01 177.95 2qie h ARG 114 N 0.29 0.55 -0.73 2.33 2.47 -0.68 -2.70 114.38 115.90 2qie h ARG 114 Ca 0.08 -0.17 -0.01 0.00 -1.26 0.00 0.00 59.98 58.62 2qie h ARG 114 Cb 0.03 -0.05 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2qie h ARG 114 CO -0.02 0.68 0.42 0.82 0.56 0.00 0.00 179.97 182.43 2qie h ILE 115 N 0.50 1.22 0.00 2.04 2.04 -1.13 0.64 117.51 122.82 2qie h ILE 115 Ca 0.09 -0.52 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2qie h ILE 115 Cb 0.55 0.23 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 2qie h ILE 115 CO 0.03 0.23 0.00 0.11 0.00 0.00 0.00 178.15 178.53 2qie h LYS 116 N 1.00 0.00 0.00 2.37 1.57 -1.16 -3.08 116.57 117.27 2qie h LYS 116 Ca 0.26 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.62 2qie h LYS 116 Cb 0.01 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.25 2qie h LYS 116 CO -0.04 0.00 -2.44 -1.91 -0.57 0.00 0.00 179.45 174.48 2qie n GLU 117 N -2.39 0.62 -0.00 3.15 2.13 -0.62 -4.89 120.64 118.63 2qie n GLU 117 Ca 0.01 0.24 -0.00 0.00 0.66 0.00 0.00 57.16 58.06 2qie n GLU 117 Cb 0.21 -1.52 -0.01 0.00 0.27 0.00 0.00 31.44 30.38 2qie n GLU 117 CO 0.00 0.00 0.00 0.44 -0.41 0.00 0.00 177.13 177.16 2qie n ILE 118 N -3.86 0.06 -2.47 6.31 -5.35 0.12 -5.04 119.36 109.13 2qie n ILE 118 Ca -0.50 -0.04 -0.43 0.00 -0.27 0.00 0.00 62.75 61.52 2qie n ILE 118 Cb 0.92 -0.64 -0.02 0.00 -1.74 0.00 0.00 39.64 38.16 2qie n ILE 118 CO 0.00 0.00 0.00 -0.69 -1.76 0.00 0.00 176.55 174.10 2qie s VAL 119 N -2.04 4.31 -1.09 7.28 1.01 -1.16 -4.92 120.40 123.78 2qie s VAL 119 Ca -0.01 1.61 -0.24 0.00 0.00 0.00 0.00 61.98 63.35 2qie s VAL 119 Cb 0.00 -4.04 -0.09 0.00 0.00 0.00 0.00 36.38 32.25 2qie s VAL 119 CO 0.05 -0.06 1.98 -2.16 0.00 0.00 0.00 175.10 174.90 2qie s PRO 120 N 2.71 2.34 -0.01 2.72 0.04 -1.26 -4.85 135.00 136.69 2qie s PRO 120 Ca 0.54 -0.81 -0.01 0.00 0.04 0.00 0.00 61.00 60.77 2qie s PRO 120 Cb -0.23 -5.15 0.00 0.00 0.04 0.00 0.00 34.50 29.16 2qie s PRO 120 CO 0.18 -4.01 0.03 0.42 0.04 0.00 0.00 177.00 173.66 2qie s ILE 121 N 11.56 0.01 -0.01 0.56 1.01 -1.26 -1.92 121.20 131.16 2qie s ILE 121 Ca 0.71 -0.10 0.02 0.00 0.00 0.00 0.00 60.65 61.28 2qie s ILE 121 Cb -0.03 -0.08 -0.00 0.00 0.01 0.00 0.00 42.46 42.36 2qie s ILE 121 CO 0.10 -0.05 -0.07 0.26 0.00 0.00 0.00 174.94 175.18 2qie s TRP 122 N -0.15 0.67 -0.02 3.97 0.51 -0.21 -5.01 118.94 118.70 2qie s TRP 122 Ca -0.02 -0.14 0.02 0.00 -2.12 0.00 0.00 56.10 53.85 2qie s TRP 122 Cb -0.01 -0.46 -0.03 0.00 -0.81 0.00 0.00 33.47 32.15 2qie s TRP 122 CO -0.00 -0.04 -0.06 -1.59 -0.51 0.00 0.00 176.95 174.75 2qie s LYS 123 N -0.00 2.66 -0.25 4.98 -2.85 -1.26 -1.22 119.74 121.79 2qie s LYS 123 Ca 0.00 -0.64 -0.01 0.00 -1.00 0.00 0.00 55.97 54.32 2qie s LYS 123 Cb -0.05 -2.56 0.03 0.00 -2.06 0.00 0.00 37.83 33.19 2qie s LYS 123 CO -0.00 0.63 -0.07 0.21 0.10 0.00 0.00 175.35 176.22 2qie s LYS 124 N -1.23 2.76 -0.09 1.78 2.20 0.16 -1.91 119.74 123.42 2qie s LYS 124 Ca 0.16 -1.02 -0.30 0.00 -0.36 0.00 0.00 55.97 54.45 2qie s LYS 124 Cb -0.11 -2.96 -0.03 0.00 -1.51 0.00 0.00 37.83 33.22 2qie s LYS 124 CO 0.06 -0.42 1.18 -1.21 -0.36 0.00 0.00 175.35 174.60 2qie s GLU 125 N 1.30 4.34 -0.18 4.03 0.41 -0.66 -2.25 118.70 125.69 2qie s GLU 125 Ca -0.01 1.62 -0.05 0.00 -0.41 0.00 0.00 54.97 56.12 2qie s GLU 125 Cb -0.17 -3.59 -0.03 0.00 -1.78 0.00 0.00 34.13 28.56 2qie s GLU 125 CO -0.05 -0.48 0.01 0.42 -0.49 0.00 0.00 175.26 174.67 2qie s ILE 126 N 2.42 4.19 0.47 -1.63 1.09 -0.85 -1.82 121.20 125.06 2qie s ILE 126 Ca 0.54 -0.24 0.02 0.00 -1.10 0.00 0.00 60.65 59.86 2qie s ILE 126 Cb -0.23 -2.87 0.02 0.00 -1.06 0.00 0.00 42.46 38.31 2qie s ILE 126 CO 0.20 0.46 0.13 -2.67 -0.10 0.00 0.00 174.94 172.95 2qie n TRP 127 N 3.78 0.47 0.20 3.97 2.14 -0.63 -0.66 117.44 126.71 2qie n TRP 127 Ca -0.17 -2.20 0.05 0.00 2.07 0.00 0.00 57.50 57.24 2qie n TRP 127 Cb 0.52 -0.34 0.44 0.00 -0.81 0.00 0.00 31.31 31.12 2qie n TRP 127 CO 0.00 0.00 0.00 1.49 2.07 0.00 0.00 177.69 181.25 2qie h GLU 128 N 0.00 0.00 0.00 -2.67 4.81 -1.97 -3.15 114.58 111.60 2qie h GLU 128 Ca -0.36 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.87 2qie h GLU 128 Cb 1.15 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.53 2qie h GLU 128 CO 0.58 0.29 -0.67 0.22 -0.73 0.00 0.00 179.01 178.71 2qie h ASP 129 N 0.00 0.00 0.00 1.04 3.58 -1.97 -3.50 116.42 115.57 2qie h ASP 129 Ca -0.00 -0.14 0.00 0.00 0.42 0.00 0.00 57.03 57.31 2qie h ASP 129 Cb 0.55 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.60 2qie h ASP 129 CO 0.04 0.07 0.00 0.61 -2.88 0.00 0.00 179.24 177.08 2qie n GLY 130 N 1.28 -0.59 3.75 -0.78 0.00 -1.19 -5.18 105.19 102.49 2qie n GLY 130 Ca 0.03 -0.60 -0.06 0.00 0.00 0.00 0.00 46.02 45.39 2qie n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2qie s SER 131 N -4.00 -0.25 -0.28 1.61 1.04 -1.26 -1.60 113.70 108.95 2qie s SER 131 Ca 0.00 -0.43 -0.22 0.00 0.48 0.00 0.00 55.95 55.79 2qie s SER 131 Cb 0.00 0.59 0.11 0.00 0.10 0.00 0.00 66.02 66.82 2qie s SER 131 CO 0.00 -1.07 0.90 -0.75 0.98 0.00 0.00 173.24 173.30 2qie s LYS 132 N -3.57 0.58 0.21 4.02 2.20 -0.76 -5.01 119.74 117.42 2qie s LYS 132 Ca 0.10 0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 56.21 2qie s LYS 132 Cb -0.03 0.22 -0.08 0.00 -1.51 0.00 0.00 37.83 36.43 2qie s LYS 132 CO 0.02 -0.09 1.13 -1.58 -0.36 0.00 0.00 175.35 174.48 2qie s TRP 133 N 0.74 3.53 0.28 4.03 0.52 -1.26 -1.65 118.94 125.13 2qie s TRP 133 Ca -0.02 1.58 -0.14 0.00 0.02 0.00 0.00 56.10 57.54 2qie s TRP 133 Cb -0.05 -3.33 -0.08 0.00 -1.15 0.00 0.00 33.47 28.86 2qie s TRP 133 CO -0.09 -0.79 0.67 -0.65 0.02 0.00 0.00 176.95 176.11 2qie s GLN 134 N -0.68 3.96 0.00 4.98 -1.52 -0.80 -4.97 119.66 120.63 2qie s GLN 134 Ca 0.49 0.55 0.00 0.00 -1.95 0.00 0.00 55.36 54.45 2qie s GLN 134 Cb -0.31 -2.56 0.00 0.00 -0.22 0.00 0.00 33.01 29.92 2qie s GLN 134 CO 0.38 0.24 0.00 0.41 -0.25 0.00 0.00 175.29 176.07 2qie n GLY 135 N -0.15 0.49 0.91 3.09 0.00 -1.26 -4.74 105.19 103.53 2qie n GLY 135 Ca 0.02 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.15 2qie n GLY 135 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74