#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 4.22 0.22 2.12 1.02 -1.26 -5.00 119.74 121.07 2qie s LYS 2 Ca 0.00 0.89 -0.08 0.00 0.02 0.00 0.00 55.97 56.81 2qie s LYS 2 Cb 0.00 -2.69 0.30 0.00 -0.52 0.00 0.00 37.83 34.92 2qie s LYS 2 CO 0.00 0.28 1.81 0.37 -0.92 0.00 0.00 175.35 176.89 2qie h GLN 3 N 2.94 0.69 -4.73 1.68 4.15 -1.95 -3.39 115.11 114.50 2qie h GLN 3 Ca -0.48 -0.04 -0.60 0.00 0.77 0.00 0.00 58.65 58.30 2qie h GLN 3 Cb 1.19 -0.16 -0.35 0.00 0.21 0.00 0.00 27.48 28.37 2qie h GLN 3 CO 0.65 0.46 -0.84 -0.06 -1.93 0.00 0.00 178.83 177.11 2qie s PHE 4 N -6.07 2.13 -0.08 3.99 0.40 -1.26 -1.99 117.98 115.10 2qie s PHE 4 Ca -0.13 -1.12 -0.13 0.00 -0.60 0.00 0.00 56.93 54.95 2qie s PHE 4 Cb 0.17 -1.54 0.03 0.00 0.51 0.00 0.00 43.02 42.19 2qie s PHE 4 CO 0.77 -0.59 0.33 -2.00 0.70 0.00 0.00 175.22 174.42 2qie s GLU 5 N 1.26 0.53 -0.13 0.44 2.12 -0.68 -4.92 118.70 117.32 2qie s GLU 5 Ca -0.00 0.17 -0.05 0.00 0.36 0.00 0.00 54.97 55.45 2qie s GLU 5 Cb -0.14 0.24 -0.04 0.00 0.26 0.00 0.00 34.13 34.46 2qie s GLU 5 CO -0.07 -0.11 0.05 0.42 -0.54 0.00 0.00 175.26 175.01 2qie s ILE 6 N -0.52 4.70 0.09 -3.70 -1.09 -1.26 -1.36 121.20 118.05 2qie s ILE 6 Ca -0.06 -0.09 0.01 0.00 -2.23 0.00 0.00 60.65 58.28 2qie s ILE 6 Cb -0.04 -3.04 -0.04 0.00 -1.58 0.00 0.00 42.46 37.76 2qie s ILE 6 CO 0.02 0.55 -0.06 0.68 -1.23 0.00 0.00 174.94 174.91 2qie s VAL 7 N -0.43 0.61 -0.18 2.92 -7.23 -0.51 -4.95 120.40 110.64 2qie s VAL 7 Ca 0.09 -1.83 0.06 0.00 -1.81 0.00 0.00 61.98 58.49 2qie s VAL 7 Cb -0.12 -1.55 -0.15 0.00 0.56 0.00 0.00 36.38 35.12 2qie s VAL 7 CO 0.02 -0.84 -0.09 2.30 -0.31 0.00 0.00 175.10 176.18 2qie n ILE 8 N 0.12 1.08 -2.37 -0.62 -5.35 -1.26 -0.34 119.36 110.63 2qie n ILE 8 Ca -0.13 -0.50 -0.37 0.00 -0.27 0.00 0.00 62.75 61.47 2qie n ILE 8 Cb 0.60 -0.97 -0.02 0.00 -1.74 0.00 0.00 39.64 37.51 2qie n ILE 8 CO 0.00 0.00 0.00 -1.61 -1.76 0.00 0.00 176.55 173.18 2qie s GLU 9 N -2.38 4.01 0.36 6.28 2.02 -1.26 -4.79 118.70 122.93 2qie s GLU 9 Ca -0.19 1.71 -0.26 0.00 0.02 0.00 0.00 54.97 56.25 2qie s GLU 9 Cb 0.06 -2.56 -0.13 0.00 0.10 0.00 0.00 34.13 31.61 2qie s GLU 9 CO 0.51 -0.32 0.91 -2.30 0.02 0.00 0.00 175.26 174.08 2qie n PRO 10 N -0.13 1.17 -2.38 0.39 -0.02 -1.26 -4.86 135.00 127.91 2qie n PRO 10 Ca 0.05 0.42 -0.42 0.00 -2.02 0.00 0.00 63.50 61.53 2qie n PRO 10 Cb 0.48 -1.83 -0.03 0.00 -0.02 0.00 0.00 33.50 32.10 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 -1.21 4.12 -0.44 4.25 1.01 -1.26 -4.99 121.20 122.68 2qie s ILE 11 Ca 0.61 1.44 -0.21 0.00 0.00 0.00 0.00 60.65 62.49 2qie s ILE 11 Cb -0.64 -3.93 0.02 0.00 0.01 0.00 0.00 42.46 37.93 2qie s ILE 11 CO 0.58 -0.04 0.65 -1.10 0.00 0.00 0.00 174.94 175.03 2qie s GLN 12 N 2.65 3.28 -0.12 2.79 -1.52 -1.26 -4.97 119.66 120.51 2qie s GLN 12 Ca 0.58 -0.37 -0.26 0.00 -1.95 0.00 0.00 55.36 53.36 2qie s GLN 12 Cb -0.26 -3.95 -0.27 0.00 -0.22 0.00 0.00 33.01 28.31 2qie s GLN 12 CO 0.21 -1.01 0.77 1.79 -0.25 0.00 0.00 175.29 176.80 2qie h THR 13 N 5.88 1.67 -0.91 -0.19 1.35 -2.04 -3.37 112.91 115.30 2qie h THR 13 Ca -0.25 -2.39 0.25 0.00 -0.55 0.00 0.00 66.41 63.46 2qie h THR 13 Cb 1.10 3.28 -0.14 0.00 -1.73 0.00 0.00 68.15 70.66 2qie h THR 13 CO 0.90 0.63 0.35 -0.33 -0.25 0.00 0.00 175.52 176.81 2qie h GLU 14 N -0.82 0.28 -0.15 4.72 3.07 -2.03 -1.89 114.58 117.77 2qie h GLU 14 Ca -0.06 -0.02 0.03 0.00 -0.50 0.00 0.00 59.36 58.82 2qie h GLU 14 Cb 1.20 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 29.04 2qie h GLU 14 CO 0.03 0.19 0.10 -0.56 -1.40 0.00 0.00 179.01 177.37 2qie h GLN 15 N 0.29 0.05 -0.33 2.33 3.07 -2.00 -2.50 115.11 116.02 2qie h GLN 15 Ca 0.59 -0.00 -0.08 0.00 0.09 0.00 0.00 58.65 59.24 2qie h GLN 15 Cb 1.20 -0.01 -0.01 0.00 0.08 0.00 0.00 27.48 28.74 2qie h GLN 15 CO -0.61 0.03 -0.12 1.88 0.09 0.00 0.00 178.83 180.10 2qie h TYR 16 N 0.05 0.76 -0.39 0.06 -1.99 -1.58 -1.66 116.97 112.22 2qie h TYR 16 Ca 0.07 -0.18 0.04 0.00 2.00 0.00 0.00 58.73 60.66 2qie h TYR 16 Cb 0.21 -0.18 -0.04 0.00 2.00 0.00 0.00 36.73 38.72 2qie h TYR 16 CO -0.00 0.86 0.16 -0.09 -0.00 0.00 0.00 178.16 179.09 2qie h ARG 17 N 0.44 0.32 -0.16 4.88 2.43 -1.59 -2.83 114.38 117.87 2qie h ARG 17 Ca 0.08 -0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.21 2qie h ARG 17 Cb 0.64 -0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.11 2qie h ARG 17 CO 0.04 0.21 0.03 0.93 -1.51 0.00 0.00 179.97 179.68 2qie h GLU 18 N 0.33 0.22 -0.55 0.20 4.39 -1.23 -2.56 114.58 115.37 2qie h GLU 18 Ca 0.17 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.75 2qie h GLU 18 Cb 0.13 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 2qie h GLU 18 CO -0.16 0.22 -0.04 0.35 -1.16 0.00 0.00 179.01 178.22 2qie h PHE 19 N 0.22 1.07 0.00 4.33 3.57 -1.06 -3.10 116.94 121.98 2qie h PHE 19 Ca 0.06 -0.19 0.00 0.00 3.53 0.00 0.00 57.97 61.37 2qie h PHE 19 Cb 0.10 -0.28 0.00 0.00 2.79 0.00 0.00 35.95 38.56 2qie h PHE 19 CO 0.00 0.97 -0.01 0.25 -2.23 0.00 0.00 178.31 177.29 2qie n THR 20 N -4.17 0.03 -3.08 4.41 -2.24 -0.97 -4.89 114.28 103.36 2qie n THR 20 Ca 0.02 -0.01 -0.39 0.00 -2.27 0.00 0.00 64.05 61.40 2qie n THR 20 Cb 0.35 -0.49 -0.06 0.00 -2.10 0.00 0.00 70.33 68.04 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 -3.00 4.67 0.35 2.28 1.01 -1.17 -4.65 121.20 120.68 2qie s ILE 21 Ca 0.14 1.49 -0.12 0.00 0.00 0.00 0.00 60.65 62.16 2qie s ILE 21 Cb 0.19 -4.04 0.03 0.00 0.01 0.00 0.00 42.46 38.64 2qie s ILE 21 CO 0.54 0.45 0.65 0.54 0.00 0.00 0.00 174.94 177.12 2qie s ASN 22 N -0.57 0.23 0.64 3.58 2.20 -1.26 -5.05 114.94 114.72 2qie s ASN 22 Ca 0.34 -1.16 0.31 0.00 -0.94 0.00 0.00 52.86 51.41 2qie s ASN 22 Cb -0.21 0.75 1.67 0.00 -2.00 0.00 0.00 41.25 41.47 2qie s ASN 22 CO 0.22 -1.48 1.97 1.05 -2.94 0.00 0.00 177.10 175.92 2qie h GLU 23 N 2.06 0.00 0.00 3.55 9.09 -2.04 -1.29 114.58 125.95 2qie h GLU 23 Ca -0.29 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.05 2qie h GLU 23 Cb 1.25 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.34 2qie h GLU 23 CO 0.37 0.00 -0.91 1.88 0.05 0.00 0.00 179.01 180.40 2qie h TYR 24 N 0.00 0.00 -3.39 2.06 -1.99 -1.98 -3.46 116.97 108.21 2qie h TYR 24 Ca 0.05 0.00 -0.58 0.00 2.00 0.00 0.00 58.73 60.19 2qie h TYR 24 Cb 0.69 0.00 -0.08 0.00 2.00 0.00 0.00 36.73 39.34 2qie h TYR 24 CO 0.00 0.26 0.12 -0.65 -0.00 0.00 0.00 178.16 177.89 2qie s GLN 25 N -3.14 4.27 -0.01 4.88 -1.52 -0.49 -4.07 119.66 119.59 2qie s GLN 25 Ca 0.01 0.69 0.19 0.00 -1.95 0.00 0.00 55.36 54.30 2qie s GLN 25 Cb 0.08 -3.54 -0.24 0.00 -0.22 0.00 0.00 33.01 29.09 2qie s GLN 25 CO 0.77 -0.16 0.69 0.41 -0.25 0.00 0.00 175.29 176.76 2qie n GLY 26 N 3.58 -0.86 2.96 3.09 0.00 0.03 -4.76 105.19 109.24 2qie n GLY 26 Ca -0.01 -0.52 -0.16 0.00 0.00 0.00 0.00 46.02 45.32 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 -3.02 0.46 -0.02 4.61 0.00 -0.44 -4.96 121.76 118.38 2qie s ALA 27 Ca 0.02 -0.23 0.03 0.00 0.00 0.00 0.00 51.96 51.79 2qie s ALA 27 Cb 0.14 -0.12 -0.00 0.00 0.00 0.00 0.00 23.12 23.13 2qie s ALA 27 CO 0.81 0.11 -0.12 0.08 0.00 0.00 0.00 175.76 176.64 2qie s VAL 28 N -0.10 0.94 -0.09 0.00 1.01 -1.26 -1.46 120.40 119.44 2qie s VAL 28 Ca 0.02 -0.49 0.04 0.00 0.00 0.00 0.00 61.98 61.55 2qie s VAL 28 Cb -0.02 -0.80 0.00 0.00 0.00 0.00 0.00 36.38 35.55 2qie s VAL 28 CO -0.00 0.28 -0.22 -0.69 0.00 0.00 0.00 175.10 174.47 2qie s VAL 29 N -0.11 1.86 -0.13 2.92 1.01 -0.39 -4.98 120.40 120.58 2qie s VAL 29 Ca 0.01 -0.91 -0.00 0.00 0.00 0.00 0.00 61.98 61.08 2qie s VAL 29 Cb -0.06 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.73 2qie s VAL 29 CO 0.00 0.52 -0.11 -0.69 0.00 0.00 0.00 175.10 174.82 2qie s VAL 30 N 0.31 1.31 -0.16 2.92 1.01 -1.26 -0.60 120.40 123.92 2qie s VAL 30 Ca -0.15 -0.48 -0.09 0.00 0.00 0.00 0.00 61.98 61.26 2qie s VAL 30 Cb -0.17 -1.27 -0.05 0.00 0.00 0.00 0.00 36.38 34.89 2qie s VAL 30 CO 0.07 0.40 0.14 0.12 0.00 0.00 0.00 175.10 175.83 2qie s PHE 31 N 1.59 3.49 -0.09 5.22 5.36 -0.24 -4.98 117.98 128.34 2qie s PHE 31 Ca 0.05 0.43 0.04 0.00 -0.96 0.00 0.00 56.93 56.48 2qie s PHE 31 Cb -0.13 -2.07 0.00 0.00 -0.34 0.00 0.00 43.02 40.48 2qie s PHE 31 CO -0.09 0.48 -0.22 0.95 -1.46 0.00 0.00 175.22 174.88 2qie s THR 32 N -0.23 1.87 -0.25 0.12 -4.23 -1.26 -1.27 115.64 110.39 2qie s THR 32 Ca 0.11 -0.91 -0.14 0.00 -1.18 0.00 0.00 61.69 59.57 2qie s THR 32 Cb -0.12 -1.62 -0.04 0.00 1.34 0.00 0.00 72.50 72.06 2qie s THR 32 CO 0.01 0.52 0.31 -0.83 -0.54 0.00 0.00 174.62 174.08 2qie s GLY 33 N 0.35 1.96 0.06 3.99 0.00 -0.25 -4.99 107.32 108.45 2qie s GLY 33 Ca -0.17 -0.80 0.06 0.00 0.00 0.00 0.00 44.72 43.81 2qie s GLY 33 CO 0.07 0.77 -0.10 0.30 0.00 0.00 0.00 173.10 174.15 2qie s HIS 34 N 1.64 2.76 -0.13 1.90 3.76 -1.26 0.08 115.29 124.04 2qie s HIS 34 Ca 0.13 -0.13 -0.29 0.00 -0.15 0.00 0.00 55.06 54.62 2qie s HIS 34 Cb -0.15 -1.50 -0.05 0.00 1.11 0.00 0.00 32.58 31.99 2qie s HIS 34 CO 0.08 0.38 1.83 0.08 -0.85 0.00 0.00 174.74 176.26 2qie s VAL 35 N -1.09 3.36 0.01 -0.90 1.01 -0.15 -4.86 120.40 117.79 2qie s VAL 35 Ca 0.19 0.42 -0.21 0.00 0.00 0.00 0.00 61.98 62.37 2qie s VAL 35 Cb -0.11 -3.35 -0.06 0.00 0.00 0.00 0.00 36.38 32.87 2qie s VAL 35 CO 0.10 -0.12 0.63 -0.60 0.00 0.00 0.00 175.10 175.10 2qie s ARG 36 N 4.85 4.34 -0.03 2.72 3.52 -1.26 -0.43 118.95 132.66 2qie s ARG 36 Ca 0.82 0.80 -0.19 0.00 -0.13 0.00 0.00 55.73 57.03 2qie s ARG 36 Cb -0.32 -3.34 -0.32 0.00 -1.56 0.00 0.00 34.95 29.41 2qie s ARG 36 CO 0.34 0.38 0.87 1.49 -0.81 0.00 0.00 175.30 177.57 2qie h GLU 37 N 5.52 0.37 -4.99 5.12 4.81 -1.93 -3.43 114.58 120.05 2qie h GLU 37 Ca -0.45 -0.64 -0.66 0.00 -0.13 0.00 0.00 59.36 57.48 2qie h GLU 37 Cb 1.20 0.24 -0.29 0.00 0.63 0.00 0.00 28.75 30.53 2qie h GLU 37 CO 0.69 1.30 -0.74 -1.58 -0.73 0.00 0.00 179.01 177.95 2qie s TRP 38 N -2.49 2.95 -0.25 0.92 0.52 -1.26 0.75 118.94 120.07 2qie s TRP 38 Ca -0.13 -1.10 0.01 0.00 0.02 0.00 0.00 56.10 54.89 2qie s TRP 38 Cb 0.02 -2.08 0.07 0.00 -1.15 0.00 0.00 33.47 30.33 2qie s TRP 38 CO 0.86 -0.61 -0.03 0.99 0.02 0.00 0.00 176.95 178.18 2qie s THR 39 N 1.44 1.53 -1.54 2.01 2.01 0.35 -4.79 115.64 116.65 2qie s THR 39 Ca 0.05 -1.32 -0.13 0.00 0.31 0.00 0.00 61.69 60.61 2qie s THR 39 Cb -0.14 -1.85 0.09 0.00 0.01 0.00 0.00 72.50 70.60 2qie s THR 39 CO -0.05 -0.18 0.86 0.29 -0.69 0.00 0.00 174.62 174.85 2qie n LYS 40 N 4.65 -4.70 0.00 4.92 5.02 -1.26 -0.90 118.16 125.89 2qie n LYS 40 Ca -0.10 0.53 0.00 0.00 -2.02 0.00 0.00 58.31 56.72 2qie n LYS 40 Cb 0.44 -5.28 0.00 0.00 -0.02 0.00 0.00 35.03 30.16 2qie n LYS 40 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qie n GLY 41 N -1.63 2.48 3.76 0.72 0.00 -1.26 -5.03 105.19 104.23 2qie n GLY 41 Ca -0.01 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.21 5.10 -0.01 1.61 1.01 -0.08 -5.07 120.40 120.75 2qie s VAL 42 Ca 0.00 0.94 -0.12 0.00 0.00 0.00 0.00 61.98 62.80 2qie s VAL 42 Cb 0.00 -3.79 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2qie s VAL 42 CO 0.00 0.42 0.35 -0.75 0.00 0.00 0.00 175.10 175.12 2qie s LYS 43 N -0.03 3.77 -0.07 2.72 2.20 -1.26 -0.49 119.74 126.59 2qie s LYS 43 Ca 0.25 0.23 0.04 0.00 -0.36 0.00 0.00 55.97 56.13 2qie s LYS 43 Cb -0.16 -3.16 -0.02 0.00 -1.51 0.00 0.00 37.83 32.98 2qie s LYS 43 CO 0.12 0.68 -0.17 0.99 -0.36 0.00 0.00 175.35 176.61 2qie s THR 44 N -1.15 2.75 -0.18 3.43 2.01 0.23 -4.72 115.64 118.01 2qie s THR 44 Ca 0.24 -0.82 -0.20 0.00 0.31 0.00 0.00 61.69 61.22 2qie s THR 44 Cb -0.15 -2.07 -0.17 0.00 0.01 0.00 0.00 72.50 70.12 2qie s THR 44 CO 0.13 0.57 0.24 -0.33 -0.69 0.00 0.00 174.62 174.54 2qie h GLU 45 N 5.80 0.00 -3.00 4.92 4.39 -1.63 -3.44 114.58 121.63 2qie h GLU 45 Ca -0.38 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.36 2qie h GLU 45 Cb 1.17 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.78 2qie h GLU 45 CO 0.50 0.81 0.24 1.52 -1.16 0.00 0.00 179.01 180.92 2qie s TYR 46 N -2.28 -0.11 -0.02 4.33 -0.85 -1.25 -4.47 117.35 112.69 2qie s TYR 46 Ca -0.24 -0.40 0.08 0.00 -0.52 0.00 0.00 57.07 55.99 2qie s TYR 46 Cb 0.03 0.74 -0.02 0.00 0.38 0.00 0.00 41.96 43.10 2qie s TYR 46 CO 0.53 -1.32 -0.25 -0.51 -1.52 0.00 0.00 175.55 172.47 2qie s LEU 47 N -2.96 2.05 -0.16 -3.49 1.43 -0.83 -2.58 118.68 112.14 2qie s LEU 47 Ca 0.12 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.69 2qie s LEU 47 Cb -0.06 -1.31 -0.04 0.00 0.03 0.00 0.00 46.19 44.81 2qie s LEU 47 CO 0.08 0.31 0.10 -1.61 0.23 0.00 0.00 176.35 175.45 2qie s GLU 48 N -0.56 3.75 0.02 1.70 2.02 -1.05 -0.01 118.70 124.56 2qie s GLU 48 Ca 0.09 -0.25 0.07 0.00 0.02 0.00 0.00 54.97 54.90 2qie s GLU 48 Cb -0.10 -3.21 -0.03 0.00 0.10 0.00 0.00 34.13 30.89 2qie s GLU 48 CO -0.01 0.49 -0.21 0.71 0.02 0.00 0.00 175.26 176.27 2qie s TYR 49 N -0.22 2.49 0.18 1.61 1.51 -0.22 -0.46 117.35 122.24 2qie s TYR 49 Ca 0.09 -0.30 -0.00 0.00 -1.01 0.00 0.00 57.07 55.85 2qie s TYR 49 Cb -0.12 -1.48 -0.04 0.00 -0.11 0.00 0.00 41.96 40.21 2qie s TYR 49 CO 0.01 0.17 0.08 -1.83 -1.11 0.00 0.00 175.55 172.87 2qie s GLU 50 N -1.15 1.11 -0.03 -0.62 -1.05 -1.06 -0.14 118.70 115.77 2qie s GLU 50 Ca 0.13 -1.56 -0.24 0.00 -0.15 0.00 0.00 54.97 53.15 2qie s GLU 50 Cb -0.10 0.10 0.05 0.00 -0.44 0.00 0.00 34.13 33.74 2qie s GLU 50 CO 0.03 -0.29 0.52 0.00 0.95 0.00 0.00 175.26 176.47 2qie s ALA 51 N -3.98 -1.33 -0.93 -0.84 0.00 -1.26 -1.33 121.76 112.08 2qie s ALA 51 Ca 0.31 0.86 -0.22 0.00 0.00 0.00 0.00 51.96 52.91 2qie s ALA 51 Cb 0.07 0.06 0.08 0.00 0.00 0.00 0.00 23.12 23.33 2qie s ALA 51 CO 0.07 -0.34 1.27 -0.47 0.00 0.00 0.00 175.76 176.30 2qie s TYR 52 N -1.35 2.73 0.08 0.00 5.04 -0.98 -4.94 117.35 117.93 2qie s TYR 52 Ca -0.12 -0.94 -0.31 0.00 -2.44 0.00 0.00 57.07 53.27 2qie s TYR 52 Cb -0.02 -4.51 -0.18 0.00 0.35 0.00 0.00 41.96 37.60 2qie s TYR 52 CO 0.07 -1.76 1.65 0.82 -1.34 0.00 0.00 175.55 174.98 2qie h ILE 53 N 6.31 0.47 -0.34 3.14 2.04 -1.98 -1.11 117.51 126.04 2qie h ILE 53 Ca 0.10 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.98 2qie h ILE 53 Cb 1.02 0.47 -0.02 0.00 -0.74 0.00 0.00 36.82 37.56 2qie h ILE 53 CO 1.28 0.00 0.23 1.55 0.00 0.00 0.00 178.15 181.21 2qie h PRO 54 N -0.71 0.36 -0.07 2.37 0.13 -1.99 -1.90 132.00 130.19 2qie h PRO 54 Ca -0.07 -0.02 -0.20 0.00 -0.87 0.00 0.00 66.00 64.84 2qie h PRO 54 Cb 0.55 -0.08 0.01 0.00 0.13 0.00 0.00 31.00 31.61 2qie h PRO 54 CO 0.11 0.24 -0.73 1.98 -0.23 0.00 0.00 178.00 179.37 2qie h MET 55 N 0.37 0.62 -0.77 0.86 4.05 -1.89 -2.96 114.93 115.21 2qie h MET 55 Ca 0.14 -0.57 -0.03 0.00 -0.28 0.00 0.00 59.70 58.96 2qie h MET 55 Cb 0.09 0.14 -0.04 0.00 -0.80 0.00 0.00 31.60 30.99 2qie h MET 55 CO -0.03 1.19 0.38 0.00 0.23 0.00 0.00 176.91 178.68 2qie h ALA 56 N 0.44 0.99 -0.20 0.39 0.00 -0.91 -0.76 119.26 119.22 2qie h ALA 56 Ca -0.07 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 54.64 2qie h ALA 56 Cb 1.39 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2qie h ALA 56 CO 0.15 0.54 -0.12 0.93 0.00 0.00 0.00 179.25 180.75 2qie h GLU 57 N 1.08 0.32 -0.34 0.00 5.08 -1.41 0.12 114.58 119.43 2qie h GLU 57 Ca 0.27 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.43 2qie h GLU 57 Cb 0.10 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 2qie h GLU 57 CO -0.04 0.45 -0.26 0.87 -1.00 0.00 0.00 179.01 179.04 2qie h LYS 58 N 0.30 0.69 -0.11 2.33 1.57 -1.24 -2.39 116.57 117.72 2qie h LYS 58 Ca 0.06 -0.29 -0.20 0.00 -1.87 0.00 0.00 60.65 58.35 2qie h LYS 58 Cb 0.40 -0.03 0.01 0.00 0.08 0.00 0.00 32.23 32.70 2qie h LYS 58 CO 0.02 0.88 -0.71 0.87 -0.57 0.00 0.00 179.45 179.94 2qie h LYS 59 N 0.60 0.68 -0.31 3.15 1.79 -0.50 -0.63 116.57 121.35 2qie h LYS 59 Ca 0.08 -0.58 0.06 0.00 -2.18 0.00 0.00 60.65 58.03 2qie h LYS 59 Cb 0.75 0.13 -0.06 0.00 -1.58 0.00 0.00 32.23 31.47 2qie h LYS 59 CO 0.06 1.20 -0.06 -0.07 -1.08 0.00 0.00 179.45 179.50 2qie h LEU 60 N 0.36 -0.25 -1.45 2.94 3.38 -0.84 -1.17 115.31 118.28 2qie h LEU 60 Ca -0.06 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2qie h LEU 60 Cb 1.36 0.18 -0.04 0.00 0.09 0.00 0.00 40.66 42.25 2qie h LEU 60 CO 0.15 -0.09 0.41 0.00 0.09 0.00 0.00 178.44 179.00 2qie h ALA 61 N 1.30 1.69 -0.50 1.53 0.00 -1.32 -1.24 119.26 120.72 2qie h ALA 61 Ca 0.15 -0.03 -0.11 0.00 0.00 0.00 0.00 54.91 54.93 2qie h ALA 61 Cb 0.23 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 2qie h ALA 61 CO -0.31 0.23 -0.10 0.37 0.00 0.00 0.00 179.25 179.45 2qie h GLN 62 N 0.71 0.95 -0.72 0.00 4.15 -0.39 -1.40 115.11 118.42 2qie h GLN 62 Ca 0.26 -0.36 -0.00 0.00 0.77 0.00 0.00 58.65 59.32 2qie h GLN 62 Cb 0.13 -0.06 -0.03 0.00 0.21 0.00 0.00 27.48 27.72 2qie h GLN 62 CO -0.07 1.02 0.43 0.82 -1.93 0.00 0.00 178.83 179.10 2qie h ILE 63 N 0.81 1.21 -0.63 2.39 2.04 -0.52 -0.19 117.51 122.61 2qie h ILE 63 Ca 0.13 -0.45 0.12 0.00 1.00 0.00 0.00 64.86 65.66 2qie h ILE 63 Cb 0.66 0.21 -0.09 0.00 -0.74 0.00 0.00 36.82 36.85 2qie h ILE 63 CO 0.05 0.21 0.13 1.23 0.00 0.00 0.00 178.15 179.77 2qie h GLY 64 N 0.98 0.82 0.90 5.37 0.00 -0.81 -0.58 103.07 109.74 2qie h GLY 64 Ca 0.26 -0.02 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 2qie h GLY 64 CO -0.05 -0.14 0.05 -0.55 0.00 0.00 0.00 176.54 175.86 2qie h ASP 65 N 0.25 0.50 -0.59 0.19 3.32 -0.49 -1.93 116.42 117.68 2qie h ASP 65 Ca 0.34 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 57.18 2qie h ASP 65 Cb 0.52 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2qie h ASP 65 CO -0.44 0.63 0.32 -0.33 -1.72 0.00 0.00 179.24 177.70 2qie h GLU 66 N 0.35 0.58 -0.81 3.56 5.08 -0.47 -1.61 114.58 121.26 2qie h GLU 66 Ca 0.10 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.41 2qie h GLU 66 Cb 0.35 -0.13 -0.04 0.00 0.50 0.00 0.00 28.75 29.43 2qie h GLU 66 CO 0.01 0.38 0.45 0.82 -1.00 0.00 0.00 179.01 179.67 2qie h ILE 67 N 0.60 1.24 -0.71 3.13 2.04 -1.04 -1.99 117.51 120.78 2qie h ILE 67 Ca 0.26 -0.59 0.08 0.00 1.00 0.00 0.00 64.86 65.62 2qie h ILE 67 Cb 0.16 0.15 -0.05 0.00 -0.74 0.00 0.00 36.82 36.34 2qie h ILE 67 CO -0.17 0.26 0.47 -1.13 0.00 0.00 0.00 178.15 177.58 2qie h ASN 68 N 1.13 0.58 0.52 1.72 -0.73 -0.49 0.16 115.58 118.47 2qie h ASN 68 Ca 0.29 0.01 -0.29 0.00 1.87 0.00 0.00 56.30 58.17 2qie h ASN 68 Cb 0.02 -0.11 -0.00 0.00 0.27 0.00 0.00 38.32 38.50 2qie h ASN 68 CO -0.05 0.36 -1.41 -0.33 -0.37 0.00 0.00 177.43 175.64 2qie h GLU 69 N 0.66 0.27 0.04 6.67 5.08 -0.99 -3.19 114.58 123.11 2qie h GLU 69 Ca 0.32 -0.46 -0.29 0.00 -1.00 0.00 0.00 59.36 57.93 2qie h GLU 69 Cb 0.39 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.77 2qie h GLU 69 CO -0.11 1.17 -1.61 0.87 -1.00 0.00 0.00 179.01 178.33 2qie h LYS 70 N 0.07 0.08 -2.51 2.33 1.57 -1.20 -3.41 116.57 113.50 2qie h LYS 70 Ca -0.20 -0.13 -0.60 0.00 -1.87 0.00 0.00 60.65 57.85 2qie h LYS 70 Cb 2.00 0.05 -0.40 0.00 0.08 0.00 0.00 32.23 33.96 2qie h LYS 70 CO 0.18 0.77 -0.78 0.91 -0.57 0.00 0.00 179.45 179.96 2qie n TRP 71 N -3.22 1.61 -1.93 -1.35 8.01 0.55 -5.09 117.44 116.03 2qie n TRP 71 Ca -0.16 -3.88 -0.39 0.00 -1.31 0.00 0.00 57.50 51.75 2qie n TRP 71 Cb 1.03 -0.33 0.01 0.00 -2.01 0.00 0.00 31.31 30.02 2qie n TRP 71 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.69 174.54 2qie s PRO 72 N -1.24 3.69 0.00 -0.99 0.02 -1.21 -2.69 135.00 132.59 2qie s PRO 72 Ca 0.32 2.23 0.00 0.00 0.02 0.00 0.00 61.00 63.57 2qie s PRO 72 Cb 0.06 -2.59 0.00 0.00 0.02 0.00 0.00 34.50 31.99 2qie s PRO 72 CO -0.13 -0.75 0.00 0.41 -0.33 0.00 0.00 177.00 176.20 2qie n GLY 73 N 0.63 1.55 3.86 0.52 0.00 -1.26 -5.01 105.19 105.47 2qie n GLY 73 Ca 0.06 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.41 4.67 -0.05 2.61 -4.23 -1.09 -4.60 115.64 110.55 2qie s THR 74 Ca 0.00 0.89 0.04 0.00 -1.18 0.00 0.00 61.69 61.45 2qie s THR 74 Cb 0.00 -3.70 -0.00 0.00 1.34 0.00 0.00 72.50 70.14 2qie s THR 74 CO 0.00 -0.50 -0.18 -0.63 -0.54 0.00 0.00 174.62 172.77 2qie s ILE 75 N -2.37 1.48 -0.03 2.99 1.01 -1.08 -4.88 121.20 118.32 2qie s ILE 75 Ca 0.54 -0.74 0.05 0.00 0.00 0.00 0.00 60.65 60.50 2qie s ILE 75 Cb -0.10 -1.28 -0.01 0.00 0.01 0.00 0.00 42.46 41.08 2qie s ILE 75 CO 0.28 0.43 -0.16 -0.89 0.00 0.00 0.00 174.94 174.59 2qie s THR 76 N 0.09 1.32 -0.04 2.92 2.01 -1.26 -1.80 115.64 118.88 2qie s THR 76 Ca -0.05 -0.68 0.02 0.00 0.31 0.00 0.00 61.69 61.29 2qie s THR 76 Cb -0.12 -1.12 0.01 0.00 0.01 0.00 0.00 72.50 71.28 2qie s THR 76 CO 0.03 0.38 -0.08 -0.55 -0.69 0.00 0.00 174.62 173.70 2qie s SER 77 N -0.14 1.24 -0.02 3.53 0.15 -0.69 -4.91 113.70 112.86 2qie s SER 77 Ca 0.01 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.50 2qie s SER 77 Cb -0.09 -0.46 -0.01 0.00 -1.71 0.00 0.00 66.02 63.75 2qie s SER 77 CO 0.01 0.02 -0.12 -0.63 1.20 0.00 0.00 173.24 173.72 2qie s ILE 78 N 0.49 0.99 0.02 6.45 1.01 -0.84 -0.94 121.20 128.38 2qie s ILE 78 Ca -0.08 -0.51 0.02 0.00 0.00 0.00 0.00 60.65 60.08 2qie s ILE 78 Cb -0.12 -0.84 -0.01 0.00 0.01 0.00 0.00 42.46 41.50 2qie s ILE 78 CO 0.01 0.29 -0.07 0.54 0.00 0.00 0.00 174.94 175.71 2qie s VAL 79 N -0.14 0.51 -0.06 2.92 0.11 -0.66 -1.68 120.40 121.39 2qie s VAL 79 Ca 0.02 -0.62 0.00 0.00 -2.93 0.00 0.00 61.98 58.45 2qie s VAL 79 Cb -0.06 -0.50 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 2qie s VAL 79 CO 0.00 -0.09 -0.04 -2.28 -3.33 0.00 0.00 175.10 169.37 2qie s HIS 80 N -0.67 0.84 0.32 1.54 2.46 -0.47 -1.41 115.29 117.89 2qie s HIS 80 Ca -0.03 -0.27 -0.21 0.00 0.47 0.00 0.00 55.06 55.02 2qie s HIS 80 Cb -0.06 -0.80 -0.10 0.00 -0.13 0.00 0.00 32.58 31.50 2qie s HIS 80 CO 0.00 -0.28 0.85 0.50 -2.47 0.00 0.00 174.74 173.34 2qie s ARG 81 N 1.36 4.30 0.41 2.88 3.52 -0.05 -1.42 118.95 129.95 2qie s ARG 81 Ca -0.04 1.03 0.04 0.00 -0.13 0.00 0.00 55.73 56.63 2qie s ARG 81 Cb -0.13 -2.61 -0.04 0.00 -1.56 0.00 0.00 34.95 30.61 2qie s ARG 81 CO -0.03 0.21 0.06 0.96 -0.81 0.00 0.00 175.30 175.70 2qie s ILE 82 N -1.79 1.12 0.00 4.11 -4.36 0.53 -4.88 121.20 115.93 2qie s ILE 82 Ca 0.52 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.91 2qie s ILE 82 Cb -0.14 -2.53 0.00 0.00 1.25 0.00 0.00 42.46 41.04 2qie s ILE 82 CO 0.19 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.98 2qie n GLY 83 N -0.95 -1.76 3.76 6.27 0.00 0.81 -4.65 105.19 108.66 2qie n GLY 83 Ca -0.08 -1.69 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 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 4.54 -0.03 1.61 0.04 -1.26 -1.05 135.00 138.85 2qie s PRO 84 Ca 0.00 1.93 0.00 0.00 0.04 0.00 0.00 61.00 62.97 2qie s PRO 84 Cb 0.00 -3.17 0.03 0.00 0.04 0.00 0.00 34.50 31.40 2qie s PRO 84 CO 0.00 0.05 -0.00 -0.51 0.04 0.00 0.00 177.00 176.58 2qie s LEU 85 N -1.31 1.14 0.55 -3.56 1.02 0.98 -4.97 118.68 112.54 2qie s LEU 85 Ca 0.47 -0.04 -0.05 0.00 0.02 0.00 0.00 54.13 54.53 2qie s LEU 85 Cb -0.34 -0.25 -0.00 0.00 0.02 0.00 0.00 46.19 45.61 2qie s LEU 85 CO 0.43 -0.10 0.85 -1.10 0.02 0.00 0.00 176.35 176.45 2qie s GLN 86 N 1.07 3.06 0.14 1.70 -1.52 -1.26 -1.97 119.66 120.88 2qie s GLN 86 Ca -0.09 -0.02 -0.34 0.00 -1.95 0.00 0.00 55.36 52.96 2qie s GLN 86 Cb -0.14 -2.32 -0.16 0.00 -0.22 0.00 0.00 33.01 30.17 2qie s GLN 86 CO -0.02 -0.56 1.25 -0.89 -0.25 0.00 0.00 175.29 174.83 2qie n ILE 87 N -2.47 0.54 -0.67 1.08 2.08 -1.26 -0.74 119.36 117.93 2qie n ILE 87 Ca 0.03 -0.14 0.00 0.00 0.56 0.00 0.00 62.75 63.21 2qie n ILE 87 Cb 0.57 -0.89 0.00 0.00 -0.75 0.00 0.00 39.64 38.57 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 2.26 0.00 -4.77 4.38 7.64 0.43 -4.93 113.62 118.63 2qie n SER 88 Ca 0.16 0.00 -0.40 0.00 1.01 0.00 0.00 58.87 59.64 2qie n SER 88 Cb 0.23 -1.00 -0.00 0.00 -1.01 0.00 0.00 64.21 62.43 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 -2.66 6.26 -0.14 6.43 1.01 0.08 -4.53 116.67 123.11 2qie s ASP 89 Ca 0.00 2.82 -0.29 0.00 0.71 0.00 0.00 52.55 55.79 2qie s ASP 89 Cb 0.00 -2.65 -0.02 0.00 1.01 0.00 0.00 42.92 41.26 2qie s ASP 89 CO 0.00 -0.90 1.31 -0.63 0.21 0.00 0.00 175.17 175.16 2qie s ILE 90 N -1.20 4.19 -0.18 0.77 1.01 -1.26 -0.97 121.20 123.57 2qie s ILE 90 Ca 0.56 1.45 0.06 0.00 0.00 0.00 0.00 60.65 62.71 2qie s ILE 90 Cb -0.42 -3.93 -0.22 0.00 0.01 0.00 0.00 42.46 37.90 2qie s ILE 90 CO 0.55 -0.12 0.14 0.00 0.00 0.00 0.00 174.94 175.50 2qie n ALA 91 N 6.57 1.33 -3.09 9.38 0.00 0.11 -4.71 120.51 130.10 2qie n ALA 91 Ca 0.14 -0.99 -0.11 0.00 0.00 0.00 0.00 53.44 52.48 2qie n ALA 91 Cb 0.45 -0.38 -0.10 0.00 0.00 0.00 0.00 19.45 19.41 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 -2.53 0.07 -0.04 0.00 0.11 -1.16 -0.87 120.40 115.98 2qie s VAL 92 Ca -0.21 -0.59 -0.01 0.00 -2.93 0.00 0.00 61.98 58.24 2qie s VAL 92 Cb 0.08 -0.39 0.03 0.00 -1.53 0.00 0.00 36.38 34.56 2qie s VAL 92 CO 0.74 -0.33 0.06 -0.22 -3.33 0.00 0.00 175.10 172.02 2qie s LEU 93 N -1.16 0.76 -0.09 2.54 0.20 -0.50 -1.08 118.68 119.34 2qie s LEU 93 Ca -0.12 0.11 0.03 0.00 0.69 0.00 0.00 54.13 54.84 2qie s LEU 93 Cb -0.07 0.01 0.01 0.00 -0.43 0.00 0.00 46.19 45.71 2qie s LEU 93 CO 0.01 -0.16 -0.19 -0.63 -0.29 0.00 0.00 176.35 175.09 2qie s ILE 94 N 1.38 1.66 -0.09 6.68 1.01 -0.40 -1.66 121.20 129.79 2qie s ILE 94 Ca -0.06 -0.78 0.04 0.00 0.00 0.00 0.00 60.65 59.85 2qie s ILE 94 Cb -0.12 -1.46 0.00 0.00 0.01 0.00 0.00 42.46 40.89 2qie s ILE 94 CO -0.04 0.47 -0.21 0.00 0.00 0.00 0.00 174.94 175.17 2qie s ALA 95 N 0.53 1.92 -0.10 9.38 0.00 -0.12 -1.08 121.76 132.30 2qie s ALA 95 Ca -0.16 -0.82 -0.00 0.00 0.00 0.00 0.00 51.96 50.98 2qie s ALA 95 Cb -0.17 -0.74 0.02 0.00 0.00 0.00 0.00 23.12 22.23 2qie s ALA 95 CO 0.06 0.25 -0.07 0.08 0.00 0.00 0.00 175.76 176.07 2qie s VAL 96 N 0.42 0.93 0.23 0.00 1.01 0.23 -1.70 120.40 121.51 2qie s VAL 96 Ca -0.18 -0.25 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2qie s VAL 96 Cb -0.17 -0.95 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 2qie s VAL 96 CO 0.07 0.34 0.27 -0.94 0.00 0.00 0.00 175.10 174.85 2qie s SER 97 N 1.56 5.92 -0.10 3.32 1.04 -0.74 -1.26 113.70 123.43 2qie s SER 97 Ca 0.01 -0.07 -0.30 0.00 0.48 0.00 0.00 55.95 56.07 2qie s SER 97 Cb -0.13 -1.64 0.11 0.00 0.10 0.00 0.00 66.02 64.46 2qie s SER 97 CO -0.06 -0.04 0.88 -0.55 0.98 0.00 0.00 173.24 174.45 2qie s SER 98 N -3.80 -0.47 0.23 7.02 0.15 -0.54 -2.64 113.70 113.65 2qie s SER 98 Ca 0.33 0.45 -0.07 0.00 0.70 0.00 0.00 55.95 57.37 2qie s SER 98 Cb -0.09 0.39 0.36 0.00 -1.71 0.00 0.00 66.02 64.97 2qie s SER 98 CO 0.27 -0.47 1.75 -0.65 1.20 0.00 0.00 173.24 175.34 2qie h PRO 99 N 2.63 0.48 -5.48 5.44 0.11 -1.81 0.47 132.00 133.83 2qie h PRO 99 Ca -0.22 -0.03 -0.47 0.00 0.11 0.00 0.00 66.00 65.40 2qie h PRO 99 Cb 1.17 -0.11 -0.14 0.00 0.11 0.00 0.00 31.00 32.03 2qie h PRO 99 CO 0.34 0.31 -0.69 -1.01 -0.21 0.00 0.00 178.00 176.74 2qie s HIS 100 N -6.06 1.82 0.21 0.65 3.76 -1.26 -2.27 115.29 112.15 2qie s HIS 100 Ca -0.13 -0.68 -0.03 0.00 -0.15 0.00 0.00 55.06 54.08 2qie s HIS 100 Cb 0.19 -0.98 0.19 0.00 1.11 0.00 0.00 32.58 33.09 2qie s HIS 100 CO 0.76 0.28 1.59 0.07 -0.85 0.00 0.00 174.74 176.58 2qie h ARG 101 N 2.40 0.63 -0.61 1.40 0.11 -1.93 -3.33 114.38 113.05 2qie h ARG 101 Ca -0.39 -0.31 -0.10 0.00 0.10 0.00 0.00 59.98 59.28 2qie h ARG 101 Cb 1.23 -0.00 -0.02 0.00 1.11 0.00 0.00 29.97 32.28 2qie h ARG 101 CO 0.65 0.90 -0.00 0.87 0.10 0.00 0.00 179.97 182.49 2qie h LYS 102 N 0.53 1.07 -0.67 0.08 1.57 -1.98 -2.06 116.57 115.11 2qie h LYS 102 Ca 0.05 -0.34 -0.05 0.00 -1.87 0.00 0.00 60.65 58.44 2qie h LYS 102 Cb 0.88 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 33.06 2qie h LYS 102 CO 0.08 1.04 0.23 -0.44 -0.57 0.00 0.00 179.45 179.79 2qie h ASP 103 N 0.98 0.94 0.20 0.86 5.19 -2.00 -0.42 116.42 122.18 2qie h ASP 103 Ca 0.17 -0.15 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2qie h ASP 103 Cb 0.56 -0.24 0.00 0.00 0.18 0.00 0.00 39.33 39.83 2qie h ASP 103 CO 0.03 0.86 -0.10 0.00 -3.12 0.00 0.00 179.24 176.91 2qie h ALA 104 N 1.27 -0.28 -0.25 3.45 0.00 -1.55 0.01 119.26 121.91 2qie h ALA 104 Ca 0.22 -0.06 0.01 0.00 0.00 0.00 0.00 54.91 55.08 2qie h ALA 104 Cb 0.25 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 2qie h ALA 104 CO -0.01 -0.66 0.14 1.88 0.00 0.00 0.00 179.25 180.60 2qie h TYR 105 N -0.28 0.26 -0.27 0.00 -1.99 -1.11 -2.47 116.97 111.10 2qie h TYR 105 Ca -0.03 0.01 -0.05 0.00 2.00 0.00 0.00 58.73 60.66 2qie h TYR 105 Cb 0.22 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.86 2qie h TYR 105 CO -0.07 0.15 -0.02 0.00 -0.00 0.00 0.00 178.16 178.22 2qie h ARG 106 N 0.29 0.50 -0.59 4.88 2.47 -0.96 -2.48 114.38 118.49 2qie h ARG 106 Ca 0.10 -0.17 -0.07 0.00 -1.26 0.00 0.00 59.98 58.58 2qie h ARG 106 Cb 0.01 -0.04 -0.03 0.00 -1.65 0.00 0.00 29.97 28.26 2qie h ARG 106 CO -0.05 0.67 0.10 0.00 0.56 0.00 0.00 179.97 181.24 2qie h ALA 107 N 0.81 1.06 -0.32 0.04 0.00 -0.99 -0.70 119.26 119.15 2qie h ALA 107 Ca 0.07 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.67 2qie h ALA 107 Cb 0.46 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2qie h ALA 107 CO 0.02 0.61 -0.05 -0.97 0.00 0.00 0.00 179.25 178.86 2qie h ASN 108 N 0.89 0.60 -0.12 0.00 -0.73 -1.41 -0.72 115.58 114.10 2qie h ASN 108 Ca 0.18 -0.34 -0.09 0.00 1.87 0.00 0.00 56.30 57.92 2qie h ASN 108 Cb 0.39 -0.16 -0.01 0.00 0.27 0.00 0.00 38.32 38.80 2qie h ASN 108 CO 0.01 0.80 -0.20 -0.08 -0.37 0.00 0.00 177.43 177.59 2qie h GLU 109 N 0.39 0.53 -0.61 6.67 4.81 -1.27 -2.48 114.58 122.61 2qie h GLU 109 Ca 0.09 -0.18 -0.01 0.00 -0.13 0.00 0.00 59.36 59.13 2qie h GLU 109 Cb 0.52 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.84 2qie h GLU 109 CO 0.03 0.70 0.35 -0.92 -0.73 0.00 0.00 179.01 178.43 2qie h TYR 110 N 0.47 0.82 -0.23 0.92 3.20 -0.94 -2.83 116.97 118.39 2qie h TYR 110 Ca 0.08 -0.01 0.01 0.00 3.14 0.00 0.00 58.73 61.94 2qie h TYR 110 Cb 0.61 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.60 2qie h TYR 110 CO 0.02 0.58 0.14 0.00 -1.64 0.00 0.00 178.16 177.26 2qie h ALA 111 N 1.17 0.29 -0.55 1.82 0.00 -0.68 -0.99 119.26 120.31 2qie h ALA 111 Ca 0.22 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2qie h ALA 111 Cb 0.02 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.70 2qie h ALA 111 CO -0.04 -0.25 0.21 0.97 0.00 0.00 0.00 179.25 180.14 2qie h ILE 112 N 0.29 1.20 -0.39 0.00 6.09 -1.51 -0.65 117.51 122.54 2qie h ILE 112 Ca 0.09 -0.65 -0.07 0.00 -1.37 0.00 0.00 64.86 62.85 2qie h ILE 112 Cb -0.02 0.56 -0.02 0.00 0.47 0.00 0.00 36.82 37.82 2qie h ILE 112 CO -0.03 0.26 -0.07 -0.33 -3.07 0.00 0.00 178.15 174.91 2qie h GLU 113 N 0.79 0.65 -0.03 2.19 4.39 -1.13 -2.70 114.58 118.73 2qie h GLU 113 Ca 0.19 -0.18 -0.20 0.00 0.34 0.00 0.00 59.36 59.50 2qie h GLU 113 Cb 0.17 -0.07 0.01 0.00 -0.10 0.00 0.00 28.75 28.77 2qie h GLU 113 CO -0.02 0.71 -0.78 0.00 -1.16 0.00 0.00 179.01 177.77 2qie h ARG 114 N 0.60 0.58 -0.41 2.33 2.47 -0.60 -2.95 114.38 116.40 2qie h ARG 114 Ca 0.11 -0.59 0.09 0.00 -1.26 0.00 0.00 59.98 58.33 2qie h ARG 114 Cb 0.48 0.16 -0.09 0.00 -1.65 0.00 0.00 29.97 28.86 2qie h ARG 114 CO 0.03 1.20 -0.22 0.82 0.56 0.00 0.00 179.97 182.35 2qie h ILE 115 N 0.19 0.37 0.00 2.04 2.04 -1.10 0.10 117.51 121.16 2qie h ILE 115 Ca -0.09 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.77 2qie h ILE 115 Cb 1.45 0.37 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2qie h ILE 115 CO 0.15 0.00 -0.00 0.11 0.00 0.00 0.00 178.15 178.41 2qie h LYS 116 N -0.15 0.00 0.02 2.37 1.57 -1.49 -2.75 116.57 116.14 2qie h LYS 116 Ca 0.20 0.00 -0.21 0.00 -1.87 0.00 0.00 60.65 58.77 2qie h LYS 116 Cb 0.46 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.74 2qie h LYS 116 CO -0.50 0.00 -1.13 0.93 -0.57 0.00 0.00 179.45 178.18 2qie h GLU 117 N 0.00 0.04 0.00 3.15 5.08 -0.91 -3.46 114.58 118.49 2qie h GLU 117 Ca -0.00 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 2qie h GLU 117 Cb 0.00 0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.28 2qie h GLU 117 CO 0.00 1.04 -0.38 0.44 -1.00 0.00 0.00 179.01 179.11 2qie n ILE 118 N -4.34 0.00 -2.82 3.13 -5.35 0.18 -5.03 119.36 105.13 2qie n ILE 118 Ca -0.28 -0.31 -0.41 0.00 -0.27 0.00 0.00 62.75 61.47 2qie n ILE 118 Cb 0.70 0.81 -0.03 0.00 -1.74 0.00 0.00 39.64 39.38 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 -1.39 4.89 -0.91 7.28 1.01 -1.05 -4.95 120.40 125.29 2qie s VAL 119 Ca 0.00 1.82 -0.24 0.00 0.00 0.00 0.00 61.98 63.56 2qie s VAL 119 Cb 0.00 -4.21 -0.16 0.00 0.00 0.00 0.00 36.38 32.01 2qie s VAL 119 CO 0.01 0.10 1.91 -2.65 0.00 0.00 0.00 175.10 174.48 2qie n PRO 120 N 4.52 1.21 -4.19 2.72 -0.02 -1.26 -4.86 135.00 133.12 2qie n PRO 120 Ca 0.05 -2.01 -0.16 0.00 -2.02 0.00 0.00 63.50 59.35 2qie n PRO 120 Cb 0.50 -3.35 -0.14 0.00 -0.02 0.00 0.00 33.50 30.48 2qie n PRO 120 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 2qie s ILE 121 N 9.38 0.46 0.19 4.25 1.01 -1.26 -2.33 121.20 132.90 2qie s ILE 121 Ca 0.66 -0.25 0.07 0.00 0.00 0.00 0.00 60.65 61.14 2qie s ILE 121 Cb 0.06 -0.39 -0.05 0.00 0.01 0.00 0.00 42.46 42.09 2qie s ILE 121 CO 0.16 0.13 -0.15 0.26 0.00 0.00 0.00 174.94 175.34 2qie s TRP 122 N -0.14 1.67 -0.06 3.97 0.51 -0.44 -5.01 118.94 119.44 2qie s TRP 122 Ca 0.02 -0.57 0.03 0.00 -2.12 0.00 0.00 56.10 53.46 2qie s TRP 122 Cb -0.02 -0.79 0.01 0.00 -0.81 0.00 0.00 33.47 31.85 2qie s TRP 122 CO -0.00 0.33 -0.14 0.21 -0.51 0.00 0.00 176.95 176.84 2qie s LYS 123 N -3.50 1.69 -0.22 4.98 2.20 -1.26 -2.58 119.74 121.05 2qie s LYS 123 Ca 0.20 -0.47 -0.04 0.00 -0.36 0.00 0.00 55.97 55.31 2qie s LYS 123 Cb -0.01 -1.42 -0.01 0.00 -1.51 0.00 0.00 37.83 34.88 2qie s LYS 123 CO 0.06 0.10 -0.05 0.21 -0.36 0.00 0.00 175.35 175.31 2qie s LYS 124 N 0.43 3.35 0.04 4.03 2.20 0.39 -0.49 119.74 129.70 2qie s LYS 124 Ca -0.11 -0.64 -0.30 0.00 -0.36 0.00 0.00 55.97 54.56 2qie s LYS 124 Cb -0.14 -3.00 -0.04 0.00 -1.51 0.00 0.00 37.83 33.14 2qie s LYS 124 CO 0.03 -0.20 0.98 -1.21 -0.36 0.00 0.00 175.35 174.59 2qie s GLU 125 N 1.47 4.60 -0.26 4.03 0.41 -0.31 -2.54 118.70 126.11 2qie s GLU 125 Ca 0.06 1.45 -0.03 0.00 -0.41 0.00 0.00 54.97 56.04 2qie s GLU 125 Cb -0.14 -3.42 0.02 0.00 -1.78 0.00 0.00 34.13 28.80 2qie s GLU 125 CO -0.04 0.03 -0.03 0.42 -0.49 0.00 0.00 175.26 175.16 2qie s ILE 126 N 0.65 3.14 0.47 -1.63 1.09 -1.07 -1.85 121.20 122.00 2qie s ILE 126 Ca 0.51 -0.93 0.08 0.00 -1.10 0.00 0.00 60.65 59.21 2qie s ILE 126 Cb -0.22 -2.59 0.02 0.00 -1.06 0.00 0.00 42.46 38.60 2qie s ILE 126 CO 0.29 0.18 0.50 0.26 -0.10 0.00 0.00 174.94 176.07 2qie s TRP 127 N 1.37 2.24 0.26 3.97 0.51 -0.47 -1.66 118.94 125.16 2qie s TRP 127 Ca 0.01 -0.59 0.01 0.00 -2.12 0.00 0.00 56.10 53.40 2qie s TRP 127 Cb -0.17 -2.17 0.33 0.00 -0.81 0.00 0.00 33.47 30.66 2qie s TRP 127 CO -0.03 -0.46 1.68 1.05 -0.51 0.00 0.00 176.95 178.68 2qie h GLU 128 N 0.73 0.54 -0.23 4.98 4.11 -2.00 -3.25 114.58 119.46 2qie h GLU 128 Ca -0.38 -0.22 -0.14 0.00 0.07 0.00 0.00 59.36 58.69 2qie h GLU 128 Cb 1.28 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2qie h GLU 128 CO 0.52 0.77 -0.40 -0.44 0.07 0.00 0.00 179.01 179.53 2qie h ASP 129 N 0.47 0.75 0.00 3.06 3.32 -1.99 -3.49 116.42 118.54 2qie h ASP 129 Ca 0.06 -0.53 0.00 0.00 0.02 0.00 0.00 57.03 56.58 2qie h ASP 129 Cb 0.73 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.07 2qie h ASP 129 CO 0.06 1.14 0.00 0.61 -1.72 0.00 0.00 179.24 179.33 2qie n GLY 130 N 0.36 2.26 3.51 2.75 0.00 -1.23 -5.20 105.19 107.65 2qie n GLY 130 Ca -0.05 -0.19 -0.08 0.00 0.00 0.00 0.00 46.02 45.70 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 2.00 -0.35 -0.21 1.61 1.04 -1.26 -1.37 113.70 115.16 2qie s SER 131 Ca 0.00 -0.01 -0.27 0.00 0.48 0.00 0.00 55.95 56.15 2qie s SER 131 Cb 0.00 0.37 0.10 0.00 0.10 0.00 0.00 66.02 66.59 2qie s SER 131 CO 0.00 -0.60 0.88 -0.75 0.98 0.00 0.00 173.24 173.75 2qie s LYS 132 N -3.08 0.71 0.25 4.02 2.20 -0.77 -5.01 119.74 118.05 2qie s LYS 132 Ca 0.05 0.54 -0.30 0.00 -0.36 0.00 0.00 55.97 55.91 2qie s LYS 132 Cb -0.01 0.34 -0.09 0.00 -1.51 0.00 0.00 37.83 36.56 2qie s LYS 132 CO -0.09 -0.15 0.95 -1.58 -0.36 0.00 0.00 175.35 174.13 2qie s TRP 133 N -0.28 3.95 0.16 4.03 0.52 -1.26 -1.16 118.94 124.90 2qie s TRP 133 Ca -0.01 1.90 0.01 0.00 0.02 0.00 0.00 56.10 58.01 2qie s TRP 133 Cb -0.03 -2.99 -0.04 0.00 -1.15 0.00 0.00 33.47 29.26 2qie s TRP 133 CO 0.00 0.39 0.32 -0.65 0.02 0.00 0.00 176.95 177.03 2qie s GLN 134 N -1.25 3.48 0.00 4.98 -1.52 0.36 -4.95 119.66 120.76 2qie s GLN 134 Ca 0.42 -0.45 0.00 0.00 -1.95 0.00 0.00 55.36 53.38 2qie s GLN 134 Cb -0.26 -2.92 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 2qie s GLN 134 CO 0.32 0.48 0.00 0.41 -0.25 0.00 0.00 175.29 176.25 2qie n GLY 135 N -0.46 3.46 3.26 3.09 0.00 -1.26 -4.53 105.19 108.74 2qie n GLY 135 Ca -0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.61 2qie n GLY 135 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89