#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qba n LYS 2 N 0.00 0.00 -1.18 2.12 2.85 -1.26 -5.16 118.16 115.52 2qba n LYS 2 Ca 0.00 0.00 -0.36 0.00 -1.05 0.00 0.00 58.31 56.90 2qba n LYS 2 Cb 0.00 0.00 0.06 0.00 -0.65 0.00 0.00 35.03 34.44 2qba n LYS 2 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 177.40 177.60 2qba n THR 3 N 0.00 1.17 -0.83 0.58 -2.24 -1.26 -4.89 114.28 106.81 2qba n THR 3 Ca 0.00 -0.40 -0.31 0.00 -2.27 0.00 0.00 64.05 61.06 2qba n THR 3 Cb 0.00 -0.55 0.03 0.00 -2.10 0.00 0.00 70.33 67.71 2qba n THR 3 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 2qba n PHE 4 N -2.40 -2.38 -2.85 4.78 -0.00 -1.26 -5.03 117.46 108.33 2qba n PHE 4 Ca 0.08 0.33 0.01 0.00 -0.00 0.00 0.00 57.45 57.86 2qba n PHE 4 Cb 0.51 -1.16 0.01 0.00 -0.00 0.00 0.00 39.48 38.83 2qba n PHE 4 CO 0.00 0.00 0.00 -0.08 -0.00 0.00 0.00 176.76 176.68 2qba s THR 5 N -1.66 -0.40 0.23 -2.13 -1.32 -1.26 -4.92 115.64 104.17 2qba s THR 5 Ca 0.31 -0.06 -0.27 0.00 -1.21 0.00 0.00 61.69 60.45 2qba s THR 5 Cb -0.00 0.00 -0.17 0.00 -1.51 0.00 0.00 72.50 70.82 2qba s THR 5 CO 0.60 0.00 0.48 0.00 -2.21 0.00 0.00 174.62 173.49 2qba n ALA 6 N 3.68 -2.85 -2.76 11.08 0.00 -1.18 -4.94 120.51 123.53 2qba n ALA 6 Ca 0.08 0.40 -0.35 0.00 0.00 0.00 0.00 53.44 53.57 2qba n ALA 6 Cb 0.62 -1.60 -0.09 0.00 0.00 0.00 0.00 19.45 18.38 2qba n ALA 6 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2qba s LYS 7 N -1.01 4.10 0.00 0.00 -0.14 -1.26 -4.95 119.74 116.47 2qba s LYS 7 Ca 0.63 -0.26 0.00 0.00 -1.36 0.00 0.00 55.97 54.98 2qba s LYS 7 Cb -0.89 -3.34 0.00 0.00 -1.68 0.00 0.00 37.83 31.92 2qba s LYS 7 CO 0.57 0.30 0.41 -2.30 -0.76 0.00 0.00 175.35 173.57 2qba n PRO 8 N 3.48 0.00 -0.07 -1.68 -0.02 -1.26 -1.70 135.00 133.76 2qba n PRO 8 Ca -0.16 0.08 -0.14 0.00 -2.02 0.00 0.00 63.50 61.26 2qba n PRO 8 Cb 0.52 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.39 2qba n PRO 8 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2qba n GLU 9 N -0.91 0.32 -0.60 -0.52 4.71 -1.26 -4.65 120.64 117.74 2qba n GLU 9 Ca 0.00 0.14 -0.06 0.00 -0.01 0.00 0.00 57.16 57.23 2qba n GLU 9 Cb 0.07 -1.05 -0.08 0.00 -1.01 0.00 0.00 31.44 29.36 2qba n GLU 9 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 177.13 177.47 2qba n THR 10 N -3.80 1.91 -3.74 2.62 -2.24 -0.69 -4.85 114.28 103.49 2qba n THR 10 Ca -0.25 -0.84 -0.32 0.00 -2.27 0.00 0.00 64.05 60.37 2qba n THR 10 Cb 0.60 -1.70 -0.05 0.00 -2.10 0.00 0.00 70.33 67.08 2qba n THR 10 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qba s VAL 11 N 1.27 5.24 -0.13 2.28 1.01 -1.24 -4.71 120.40 124.12 2qba s VAL 11 Ca 0.33 -0.02 -0.08 0.00 0.00 0.00 0.00 61.98 62.21 2qba s VAL 11 Cb 0.16 -3.62 -0.03 0.00 0.00 0.00 0.00 36.38 32.89 2qba s VAL 11 CO 0.00 0.13 -0.16 0.07 0.00 0.00 0.00 175.10 175.14 2qba h LYS 12 N 3.13 0.00 0.00 2.72 2.10 -1.88 -3.48 116.57 119.15 2qba h LYS 12 Ca -0.47 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.18 2qba h LYS 12 Cb 1.17 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 2qba h LYS 12 CO 0.72 0.00 0.00 0.54 -2.00 0.00 0.00 179.45 178.71 2qba n ARG 13 N -4.42 0.00 -0.89 0.07 5.12 -1.26 -4.94 116.66 110.34 2qba n ARG 13 Ca -0.06 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.86 2qba n ARG 13 Cb 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.54 2qba n ARG 13 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2qba n ASP 14 N 4.70 -5.37 -4.92 0.55 8.00 -1.26 -3.83 116.55 114.43 2qba n ASP 14 Ca 0.00 0.67 -0.27 0.00 0.71 0.00 0.00 54.79 55.90 2qba n ASP 14 Cb 0.00 -2.07 -0.01 0.00 -0.02 0.00 0.00 41.12 39.01 2qba n ASP 14 CO 0.00 0.00 0.00 0.26 -0.39 0.00 0.00 177.20 177.07 2qba s TRP 15 N -2.21 3.51 0.31 1.24 0.52 -1.26 -1.67 118.94 119.38 2qba s TRP 15 Ca 0.00 0.62 -0.09 0.00 0.02 0.00 0.00 56.10 56.65 2qba s TRP 15 Cb 0.00 -2.12 0.01 0.00 -1.15 0.00 0.00 33.47 30.21 2qba s TRP 15 CO 0.00 -0.02 0.52 0.71 0.02 0.00 0.00 176.95 178.19 2qba s TYR 16 N -2.41 0.63 -0.07 -1.98 1.51 -1.26 -3.47 117.35 110.30 2qba s TYR 16 Ca 0.44 -0.98 -0.11 0.00 -1.01 0.00 0.00 57.07 55.41 2qba s TYR 16 Cb -0.10 0.17 0.02 0.00 -0.11 0.00 0.00 41.96 41.94 2qba s TYR 16 CO 0.37 -1.14 0.28 0.08 -1.11 0.00 0.00 175.55 174.03 2qba s VAL 17 N -3.34 0.03 0.05 0.71 1.01 -0.76 -3.13 120.40 114.96 2qba s VAL 17 Ca 0.25 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 61.82 2qba s VAL 17 Cb -0.01 -0.47 0.04 0.00 0.00 0.00 0.00 36.38 35.93 2qba s VAL 17 CO 0.14 -0.12 0.43 0.54 0.00 0.00 0.00 175.10 176.09 2qba s VAL 18 N -0.46 0.05 -0.32 2.92 0.11 -0.76 -1.96 120.40 119.98 2qba s VAL 18 Ca -0.06 -0.43 0.04 0.00 -2.93 0.00 0.00 61.98 58.60 2qba s VAL 18 Cb -0.04 -0.96 0.09 0.00 -1.53 0.00 0.00 36.38 33.95 2qba s VAL 18 CO 0.02 -0.24 0.01 -0.62 -3.33 0.00 0.00 175.10 170.94 2qba s ASP 19 N -2.01 4.70 -1.26 3.54 3.68 -1.26 0.99 116.67 125.06 2qba s ASP 19 Ca -0.05 -1.97 -0.19 0.00 2.13 0.00 0.00 52.55 52.47 2qba s ASP 19 Cb -0.01 -1.62 0.05 0.00 -1.45 0.00 0.00 42.92 39.90 2qba s ASP 19 CO -0.02 -0.34 1.73 0.00 0.13 0.00 0.00 175.17 176.67 2qba s ALA 20 N 0.96 3.10 0.00 3.66 0.00 -1.26 -4.70 121.76 123.52 2qba s ALA 20 Ca 0.06 -2.77 0.00 0.00 0.00 0.00 0.00 51.96 49.25 2qba s ALA 20 Cb -0.19 -4.64 0.00 0.00 0.00 0.00 0.00 23.12 18.29 2qba s ALA 20 CO -0.07 -3.52 0.00 2.41 0.00 0.00 0.00 175.76 174.58 2qba n THR 21 N 6.59 0.00 0.91 0.00 -1.04 -1.26 -2.67 114.28 116.82 2qba n THR 21 Ca 0.47 0.00 0.05 0.00 -2.04 0.00 0.00 64.05 62.52 2qba n THR 21 Cb 0.47 -0.60 0.27 0.00 -1.82 0.00 0.00 70.33 68.64 2qba n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2qba n GLY 22 N 3.17 -0.46 3.77 3.41 0.00 -1.26 -2.66 105.19 111.16 2qba n GLY 22 Ca 0.00 -0.06 -0.40 0.00 0.00 0.00 0.00 46.02 45.57 2qba n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qba s LYS 23 N -2.00 4.20 0.00 1.61 -0.14 -1.26 -4.68 119.74 117.47 2qba s LYS 23 Ca 0.14 2.06 0.21 0.00 -1.36 0.00 0.00 55.97 57.02 2qba s LYS 23 Cb 0.06 -2.90 1.24 0.00 -1.68 0.00 0.00 37.83 34.55 2qba s LYS 23 CO 0.10 -0.26 1.71 0.25 -0.76 0.00 0.00 175.35 176.39 2qba n THR 24 N 0.48 0.00 -1.06 2.17 -2.24 -1.26 -0.01 114.28 112.36 2qba n THR 24 Ca 0.02 0.00 0.01 0.00 -2.27 0.00 0.00 64.05 61.81 2qba n THR 24 Cb 0.44 -0.46 -0.01 0.00 -2.10 0.00 0.00 70.33 68.20 2qba n THR 24 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 2qba n LEU 25 N -0.88 -1.10 0.00 3.22 -0.00 -1.19 -3.95 117.00 113.10 2qba n LEU 25 Ca 0.16 1.91 0.00 0.00 -0.00 0.00 0.00 56.01 58.07 2qba n LEU 25 Cb 0.07 -1.84 0.00 0.00 -0.00 0.00 0.00 43.42 41.65 2qba n LEU 25 CO 0.12 -0.65 0.00 0.61 -0.00 0.00 0.00 177.39 177.46 2qba n GLY 26 N -2.40 1.09 0.36 -3.96 0.00 -1.26 -4.16 105.19 94.86 2qba n GLY 26 Ca -0.01 -0.01 0.17 0.00 0.00 0.00 0.00 46.02 46.18 2qba n GLY 26 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qba h ARG 27 N 0.00 0.00 0.02 1.61 3.08 -1.99 0.98 114.38 118.09 2qba h ARG 27 Ca 0.00 0.00 -0.39 0.00 0.07 0.00 0.00 59.98 59.66 2qba h ARG 27 Cb 0.00 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 29.99 2qba h ARG 27 CO 0.00 0.00 -2.39 -0.11 -1.07 0.00 0.00 179.97 176.40 2qba n LEU 28 N -3.27 2.90 -0.25 3.04 0.00 -1.26 -4.13 117.00 114.04 2qba n LEU 28 Ca 0.02 -0.07 0.01 0.00 0.00 0.00 0.00 56.01 55.97 2qba n LEU 28 Cb 0.49 -0.94 0.13 0.00 0.00 0.00 0.00 43.42 43.10 2qba n LEU 28 CO 0.20 0.92 1.08 0.00 0.00 0.00 0.00 177.39 179.59 2qba h ALA 29 N 0.02 0.98 -0.36 1.96 0.00 -0.83 0.50 119.26 121.53 2qba h ALA 29 Ca -0.55 0.05 0.07 0.00 0.00 0.00 0.00 54.91 54.48 2qba h ALA 29 Cb 1.93 -0.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.58 2qba h ALA 29 CO -0.05 -0.02 -0.10 0.00 0.00 0.00 0.00 179.25 179.08 2qba h THR 30 N 0.63 0.62 -0.25 0.00 1.03 0.61 1.00 112.91 116.55 2qba h THR 30 Ca 0.35 0.00 -0.01 0.00 -0.01 0.00 0.00 66.41 66.74 2qba h THR 30 Cb 0.34 0.62 -0.01 0.00 -1.07 0.00 0.00 68.15 68.03 2qba h THR 30 CO -0.25 0.00 0.12 -0.08 -0.01 0.00 0.00 175.52 175.30 2qba h GLU 31 N -0.02 0.36 -0.36 0.00 4.57 -1.33 0.38 114.58 118.19 2qba h GLU 31 Ca 0.17 -0.05 0.08 0.00 -1.18 0.00 0.00 59.36 58.37 2qba h GLU 31 Cb 0.28 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 28.72 2qba h GLU 31 CO -0.38 0.37 -0.29 -0.07 -1.18 0.00 0.00 179.01 177.46 2qba h LEU 32 N 0.27 -0.97 -0.12 1.64 3.38 0.16 0.58 115.31 120.25 2qba h LEU 32 Ca 0.09 0.18 0.01 0.00 0.09 0.00 0.00 57.88 58.24 2qba h LEU 32 Cb 0.13 0.46 -0.01 0.00 0.09 0.00 0.00 40.66 41.32 2qba h LEU 32 CO -0.01 -0.30 0.03 0.00 0.09 0.00 0.00 178.44 178.25 2qba h ALA 33 N 0.81 0.13 -0.44 1.53 0.00 0.14 0.52 119.26 121.95 2qba h ALA 33 Ca 0.17 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.22 2qba h ALA 33 Cb 0.51 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.30 2qba h ALA 33 CO -0.50 -0.42 0.32 -0.09 0.00 0.00 0.00 179.25 178.56 2qba h ARG 34 N 0.09 0.00 0.14 0.00 1.12 0.11 0.24 114.38 116.09 2qba h ARG 34 Ca 0.05 -0.00 -0.01 0.00 -1.11 0.00 0.00 59.98 58.92 2qba h ARG 34 Cb 0.04 -0.00 0.00 0.00 -0.01 0.00 0.00 29.97 30.00 2qba h ARG 34 CO -0.06 0.00 -0.07 -0.09 -3.11 0.00 0.00 179.97 176.64 2qba h ARG 35 N 0.00 -0.19 -0.29 0.20 9.65 0.17 -0.55 114.38 123.38 2qba h ARG 35 Ca 0.21 0.01 0.04 0.00 -1.10 0.00 0.00 59.98 59.14 2qba h ARG 35 Cb 0.83 0.04 -0.01 0.00 -1.39 0.00 0.00 29.97 29.44 2qba h ARG 35 CO -0.00 0.27 0.20 -0.07 2.80 0.00 0.00 179.97 183.16 2qba h LEU 36 N -0.83 0.20 0.00 3.80 -0.00 0.16 0.13 115.31 118.78 2qba h LEU 36 Ca -0.02 -0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.86 2qba h LEU 36 Cb 0.54 -0.05 0.00 0.00 -0.00 0.00 0.00 40.66 41.15 2qba h LEU 36 CO 0.03 0.14 -0.17 -0.09 -0.00 0.00 0.00 178.44 178.35 2qba h ARG 37 N 0.23 0.00 -3.53 1.13 2.43 -0.59 -3.16 114.38 110.90 2qba h ARG 37 Ca 0.12 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 59.06 2qba h ARG 37 Cb 0.21 0.00 0.07 0.00 -0.42 0.00 0.00 29.97 29.82 2qba h ARG 37 CO -0.02 0.00 -0.39 0.41 -1.51 0.00 0.00 179.97 178.46 2qba n GLY 38 N 1.12 0.04 0.21 2.80 0.00 0.31 -3.84 105.19 105.82 2qba n GLY 38 Ca 0.03 -0.16 0.09 0.00 0.00 0.00 0.00 46.02 45.98 2qba n GLY 38 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2qba h LYS 39 N -1.35 0.00 0.00 1.61 1.63 -1.59 -3.22 116.57 113.66 2qba h LYS 39 Ca -0.33 0.00 -0.10 0.00 -0.85 0.00 0.00 60.65 59.37 2qba h LYS 39 Cb 1.22 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.83 2qba h LYS 39 CO 0.33 0.22 -0.48 1.12 -3.45 0.00 0.00 179.45 177.20 2qba h HIS 40 N 0.00 0.00 -0.08 1.91 2.07 -1.92 -3.42 115.15 113.71 2qba h HIS 40 Ca -0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2qba h HIS 40 Cb 0.95 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.93 2qba h HIS 40 CO 0.00 0.48 0.00 1.63 -3.07 0.00 0.00 177.93 176.97 2qba n LYS 41 N -3.76 3.24 -2.47 5.12 5.02 -1.21 -4.90 118.16 119.20 2qba n LYS 41 Ca -0.01 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.87 2qba n LYS 41 Cb 0.53 0.00 0.02 0.00 -0.02 0.00 0.00 35.03 35.56 2qba n LYS 41 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2qba n ALA 42 N -3.00 6.19 0.00 7.82 0.00 -1.26 -4.84 120.51 125.41 2qba n ALA 42 Ca 0.00 -4.49 0.00 0.00 0.00 0.00 0.00 53.44 48.95 2qba n ALA 42 Cb 0.00 -2.14 0.00 0.00 0.00 0.00 0.00 19.45 17.31 2qba n ALA 42 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2qba n GLU 43 N -0.18 0.00 -1.22 0.00 0.00 -1.25 -4.64 120.64 113.36 2qba n GLU 43 Ca 0.49 0.07 -0.14 0.00 0.00 0.00 0.00 57.16 57.58 2qba n GLU 43 Cb 0.25 -1.89 -0.14 0.00 0.00 0.00 0.00 31.44 29.65 2qba n GLU 43 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 2qba n TYR 44 N -1.04 0.00 0.00 4.31 -0.00 -1.26 -3.50 117.16 115.67 2qba n TYR 44 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2qba n TYR 44 Cb 0.39 -0.45 0.00 0.00 -0.00 0.00 0.00 39.34 39.28 2qba n TYR 44 CO 0.00 0.00 0.00 -2.37 -0.00 0.00 0.00 176.86 174.49 2qba n THR 45 N 4.70 0.00 0.17 2.97 5.66 -1.26 -3.13 114.28 123.39 2qba n THR 45 Ca 0.43 0.00 0.04 0.00 -3.05 0.00 0.00 64.05 61.46 2qba n THR 45 Cb 0.23 0.00 0.21 0.00 -1.55 0.00 0.00 70.33 69.22 2qba n THR 45 CO 0.00 0.00 0.00 -0.65 -3.05 0.00 0.00 175.07 171.37 2qba h PRO 46 N 0.00 0.00 -0.48 1.09 0.11 -1.98 0.59 132.00 131.33 2qba h PRO 46 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2qba h PRO 46 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2qba h PRO 46 CO 0.00 0.00 0.00 -2.39 -0.21 0.00 0.00 178.00 175.40 2qba n HIS 47 N -1.94 1.39 -3.81 0.65 1.44 -1.26 -4.91 115.22 106.78 2qba n HIS 47 Ca -0.01 -0.72 -0.15 0.00 -2.01 0.00 0.00 57.72 54.83 2qba n HIS 47 Cb 0.51 -0.32 -0.16 0.00 0.12 0.00 0.00 29.99 30.14 2qba n HIS 47 CO 0.00 0.00 0.00 0.08 -2.81 0.00 0.00 176.34 173.61 2qba s VAL 48 N -2.33 0.00 -0.67 0.61 1.01 0.21 -5.09 120.40 114.14 2qba s VAL 48 Ca 0.47 0.18 -0.26 0.00 0.00 0.00 0.00 61.98 62.36 2qba s VAL 48 Cb 0.34 -0.12 -0.01 0.00 0.00 0.00 0.00 36.38 36.58 2qba s VAL 48 CO 0.16 0.10 1.76 -0.62 0.00 0.00 0.00 175.10 176.50 2qba s ASP 49 N 1.03 5.44 -0.00 3.32 2.15 -1.26 -4.75 116.67 122.58 2qba s ASP 49 Ca -0.09 0.07 0.14 0.00 0.43 0.00 0.00 52.55 53.10 2qba s ASP 49 Cb -0.13 -2.54 0.40 0.00 -0.30 0.00 0.00 42.92 40.36 2qba s ASP 49 CO -0.03 -2.30 1.34 0.35 -0.17 0.00 0.00 175.17 174.36 2qba n THR 50 N 7.12 1.01 -1.09 1.71 -2.24 -1.26 -4.94 114.28 114.59 2qba n THR 50 Ca 0.20 -1.01 -0.31 0.00 -2.27 0.00 0.00 64.05 60.66 2qba n THR 50 Cb 0.51 0.49 0.12 0.00 -2.10 0.00 0.00 70.33 69.35 2qba n THR 50 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2qba s GLY 51 N -1.01 1.68 0.00 3.38 0.00 -1.20 -4.46 107.32 105.72 2qba s GLY 51 Ca 0.31 0.35 0.00 0.00 0.00 0.00 0.00 44.72 45.38 2qba s GLY 51 CO 0.21 0.72 0.00 1.22 0.00 0.00 0.00 173.10 175.25 2qba n ASP 52 N -3.75 0.00 -0.37 1.64 10.43 -0.32 -4.20 116.55 119.98 2qba n ASP 52 Ca 0.10 0.00 0.00 0.00 2.57 0.00 0.00 54.79 57.46 2qba n ASP 52 Cb 0.53 0.00 0.00 0.00 1.84 0.00 0.00 41.12 43.49 2qba n ASP 52 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 2qba n TYR 53 N 0.00 0.00 -1.19 1.24 4.01 -0.67 -4.65 117.16 115.90 2qba n TYR 53 Ca 0.00 0.00 -0.44 0.00 -0.16 0.00 0.00 57.90 57.30 2qba n TYR 53 Cb 0.00 0.16 -0.05 0.00 -0.31 0.00 0.00 39.34 39.14 2qba n TYR 53 CO 0.00 0.00 0.00 1.51 -0.46 0.00 0.00 176.86 177.91 2qba n ILE 54 N 0.00 0.78 -3.83 -0.72 0.13 -1.26 -4.19 119.36 110.28 2qba n ILE 54 Ca 0.00 -0.20 -0.25 0.00 -1.10 0.00 0.00 62.75 61.21 2qba n ILE 54 Cb 0.54 0.00 -0.17 0.00 -0.84 0.00 0.00 39.64 39.16 2qba n ILE 54 CO 0.00 0.00 0.00 0.27 2.80 0.00 0.00 176.55 179.62 2qba s ILE 55 N -0.39 0.66 0.97 9.51 -4.36 -1.18 -3.59 121.20 122.81 2qba s ILE 55 Ca 0.64 -0.10 -0.12 0.00 -0.26 0.00 0.00 60.65 60.82 2qba s ILE 55 Cb -0.91 -0.78 0.17 0.00 1.25 0.00 0.00 42.46 42.19 2qba s ILE 55 CO 0.46 0.27 1.09 -0.69 0.24 0.00 0.00 174.94 176.31 2qba s VAL 56 N 1.85 2.39 0.00 8.37 1.01 -1.25 -1.82 120.40 130.95 2qba s VAL 56 Ca 0.05 0.13 0.00 0.00 0.00 0.00 0.00 61.98 62.15 2qba s VAL 56 Cb -0.13 -2.44 0.00 0.00 0.00 0.00 0.00 36.38 33.82 2qba s VAL 56 CO -0.07 -0.16 0.00 -0.11 0.00 0.00 0.00 175.10 174.76 2qba n LEU 57 N -4.20 0.00 0.02 3.92 7.94 0.28 -3.94 117.00 121.02 2qba n LEU 57 Ca 0.07 0.00 -0.01 0.00 -1.11 0.00 0.00 56.01 54.96 2qba n LEU 57 Cb 0.55 0.00 -0.00 0.00 0.53 0.00 0.00 43.42 44.49 2qba n LEU 57 CO 0.55 0.00 0.48 0.78 -1.11 0.00 0.00 177.39 178.09 2qba h ASN 58 N 0.00 -0.05 0.00 1.96 4.21 -1.79 -3.31 115.58 116.59 2qba h ASN 58 Ca 0.00 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.51 2qba h ASN 58 Cb 0.00 0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.21 2qba h ASN 58 CO 0.00 -0.04 0.00 0.00 -1.29 0.00 0.00 177.43 176.10 2qba n ALA 59 N -2.03 0.00 0.00 -0.83 0.00 -1.09 -4.18 120.51 112.38 2qba n ALA 59 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qba n ALA 59 Cb 0.02 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.47 2qba n ALA 59 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2qba n ASP 60 N 0.61 0.00 -1.10 0.00 5.75 -1.25 0.38 116.55 120.93 2qba n ASP 60 Ca 0.00 0.06 0.02 0.00 -0.01 0.00 0.00 54.79 54.86 2qba n ASP 60 Cb 0.00 -0.06 0.13 0.00 -1.03 0.00 0.00 41.12 40.16 2qba n ASP 60 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 2qba n LYS 61 N -1.06 1.43 -3.55 0.11 5.02 -1.26 -5.06 118.16 113.79 2qba n LYS 61 Ca 0.00 -3.09 -0.37 0.00 -2.02 0.00 0.00 58.31 52.83 2qba n LYS 61 Cb 0.00 -1.29 -0.06 0.00 -0.02 0.00 0.00 35.03 33.66 2qba n LYS 61 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2qba s VAL 62 N -2.61 5.08 0.86 -0.18 0.11 0.16 -4.14 120.40 119.69 2qba s VAL 62 Ca 0.38 0.65 -0.12 0.00 -2.93 0.00 0.00 61.98 59.96 2qba s VAL 62 Cb 0.38 -3.66 0.11 0.00 -1.53 0.00 0.00 36.38 31.67 2qba s VAL 62 CO -0.08 0.47 1.16 0.00 -3.33 0.00 0.00 175.10 173.31 2qba s ALA 63 N -1.20 2.17 0.00 1.54 0.00 0.99 -4.94 121.76 120.33 2qba s ALA 63 Ca 0.27 -0.58 0.00 0.00 0.00 0.00 0.00 51.96 51.65 2qba s ALA 63 Cb -0.15 -3.00 0.00 0.00 0.00 0.00 0.00 23.12 19.97 2qba s ALA 63 CO 0.15 -2.01 0.00 1.55 0.00 0.00 0.00 175.76 175.45 2qba n VAL 64 N -3.56 0.00 -0.13 0.00 3.14 -1.25 -3.17 118.33 113.35 2qba n VAL 64 Ca 0.07 0.00 0.02 0.00 -2.96 0.00 0.00 64.34 61.47 2qba n VAL 64 Cb 0.60 0.16 -0.01 0.00 -1.06 0.00 0.00 33.84 33.53 2qba n VAL 64 CO 0.00 0.00 0.00 1.07 -6.46 0.00 0.00 176.83 171.44 2qba n THR 65 N 0.00 -0.05 -2.22 1.55 5.66 -1.26 -4.87 114.28 113.08 2qba n THR 65 Ca 0.00 0.07 0.00 0.00 -3.05 0.00 0.00 64.05 61.07 2qba n THR 65 Cb 0.00 -0.11 0.00 0.00 -1.55 0.00 0.00 70.33 68.67 2qba n THR 65 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 2qba n GLY 66 N -2.37 0.45 0.55 1.09 0.00 -1.26 -2.90 105.19 100.76 2qba n GLY 66 Ca -0.01 -0.77 0.03 0.00 0.00 0.00 0.00 46.02 45.28 2qba n GLY 66 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qba n ASN 67 N -3.56 1.54 -0.33 1.61 3.02 -1.26 -4.27 115.26 112.02 2qba n ASN 67 Ca 0.00 -2.07 0.36 0.00 -0.03 0.00 0.00 54.58 52.84 2qba n ASN 67 Cb 0.00 -0.25 0.75 0.00 -0.61 0.00 0.00 39.78 39.67 2qba n ASN 67 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2qba h LYS 68 N 1.35 0.00 -1.01 3.52 1.57 -1.79 0.63 116.57 120.84 2qba h LYS 68 Ca 0.00 0.00 0.08 0.00 -1.87 0.00 0.00 60.65 58.86 2qba h LYS 68 Cb 0.47 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.70 2qba h LYS 68 CO 0.04 0.00 0.65 -0.09 -0.57 0.00 0.00 179.45 179.47 2qba h ARG 69 N 0.00 1.10 -0.03 3.15 9.65 -1.78 -2.11 114.38 124.35 2qba h ARG 69 Ca 0.58 -0.07 0.00 0.00 -1.10 0.00 0.00 59.98 59.39 2qba h ARG 69 Cb 2.36 -0.25 0.00 0.00 -1.39 0.00 0.00 29.97 30.69 2qba h ARG 69 CO -0.01 0.73 0.00 0.25 2.80 0.00 0.00 179.97 183.74 2qba n THR 70 N -4.53 0.16 -2.57 0.20 -2.24 0.13 -0.70 114.28 104.73 2qba n THR 70 Ca 0.16 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 61.28 2qba n THR 70 Cb 0.23 1.02 0.04 0.00 -2.10 0.00 0.00 70.33 69.52 2qba n THR 70 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 2qba n ASP 71 N 0.27 2.69 0.00 3.42 9.92 0.18 -4.96 116.55 128.06 2qba n ASP 71 Ca 0.04 -2.60 0.00 0.00 -0.53 0.00 0.00 54.79 51.70 2qba n ASP 71 Cb 0.17 -0.43 0.00 0.00 -0.64 0.00 0.00 41.12 40.22 2qba n ASP 71 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 2qba n LYS 72 N -0.63 3.70 0.00 -1.24 0.00 -0.81 -4.64 118.16 114.53 2qba n LYS 72 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.50 2qba n LYS 72 Cb 0.86 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.89 2qba n LYS 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 2qba n VAL 73 N 0.00 0.00 -2.81 3.15 0.24 -1.26 -4.85 118.33 112.80 2qba n VAL 73 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.34 62.28 2qba n VAL 73 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qba n VAL 73 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qba n TYR 74 N -0.25 -3.50 -4.28 6.34 0.53 -1.25 -3.01 117.16 111.73 2qba n TYR 74 Ca 0.00 1.53 -0.31 0.00 -1.02 0.00 0.00 57.90 58.10 2qba n TYR 74 Cb 0.00 -3.68 -0.09 0.00 -1.03 0.00 0.00 39.34 34.54 2qba n TYR 74 CO 0.00 0.00 0.00 0.71 -1.02 0.00 0.00 176.86 176.55 2qba s TYR 75 N -1.71 2.91 -0.26 -0.72 2.02 -1.26 -1.92 117.35 116.41 2qba s TYR 75 Ca 0.04 -0.05 -0.25 0.00 -0.37 0.00 0.00 57.07 56.45 2qba s TYR 75 Cb -0.01 -1.55 0.07 0.00 -0.40 0.00 0.00 41.96 40.07 2qba s TYR 75 CO 0.70 0.43 0.71 -3.38 -1.57 0.00 0.00 175.55 172.45 2qba s HIS 76 N -1.16 -0.78 -0.02 2.71 -3.43 -0.72 -5.02 115.29 106.87 2qba s HIS 76 Ca 0.21 1.88 -0.01 0.00 -0.80 0.00 0.00 55.06 56.34 2qba s HIS 76 Cb -0.11 0.28 -0.04 0.00 -1.43 0.00 0.00 32.58 31.27 2qba s HIS 76 CO 0.13 -0.39 0.07 -1.58 -2.00 0.00 0.00 174.74 170.96 2qba s HIS 77 N 0.30 3.26 -0.49 0.38 2.46 -1.26 -0.95 115.29 118.99 2qba s HIS 77 Ca -0.01 0.21 0.24 0.00 0.47 0.00 0.00 55.06 55.97 2qba s HIS 77 Cb -0.05 -1.75 0.42 0.00 -0.13 0.00 0.00 32.58 31.07 2qba s HIS 77 CO 0.01 0.54 1.62 1.79 -2.47 0.00 0.00 174.74 176.23 2qba h THR 78 N 3.41 0.00 0.00 0.89 1.35 -1.91 -3.47 112.91 113.19 2qba h THR 78 Ca -0.50 -0.90 0.00 0.00 -0.55 0.00 0.00 66.41 64.47 2qba h THR 78 Cb 1.19 1.87 0.00 0.00 -1.73 0.00 0.00 68.15 69.48 2qba h THR 78 CO 0.60 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 176.48 2qba n GLY 79 N 1.15 0.71 3.31 5.82 0.00 -1.26 -5.07 105.19 109.85 2qba n GLY 79 Ca 0.04 -0.30 -0.26 0.00 0.00 0.00 0.00 46.02 45.51 2qba n GLY 79 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 2qba s HIS 80 N -2.00 1.96 0.00 1.61 3.76 -1.26 -5.04 115.29 114.32 2qba s HIS 80 Ca 0.00 -0.40 0.00 0.00 -0.15 0.00 0.00 55.06 54.51 2qba s HIS 80 Cb 0.00 -1.08 0.00 0.00 1.11 0.00 0.00 32.58 32.61 2qba s HIS 80 CO 0.00 0.23 0.00 1.51 -0.85 0.00 0.00 174.74 175.63 2qba n ILE 81 N 1.12 0.00 -0.01 0.60 3.06 -1.26 -2.74 119.36 120.13 2qba n ILE 81 Ca -0.19 0.00 -0.05 0.00 -2.50 0.00 0.00 62.75 60.02 2qba n ILE 81 Cb 0.53 0.00 -0.02 0.00 0.54 0.00 0.00 39.64 40.70 2qba n ILE 81 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 2qba n GLY 82 N 0.00 -0.22 6.71 4.50 0.00 -1.26 -4.99 105.19 109.92 2qba n GLY 82 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 46.02 45.91 2qba n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qba n GLY 83 N 2.66 0.53 3.26 -0.02 0.00 -1.11 -4.82 105.19 105.70 2qba n GLY 83 Ca -0.08 0.66 -0.27 0.00 0.00 0.00 0.00 46.02 46.33 2qba n GLY 83 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qba n ILE 84 N 0.00 -2.88 -2.98 -0.61 0.13 -1.26 -4.91 119.36 106.85 2qba n ILE 84 Ca 0.00 0.03 -0.28 0.00 -1.10 0.00 0.00 62.75 61.40 2qba n ILE 84 Cb 0.00 -2.60 -0.02 0.00 -0.84 0.00 0.00 39.64 36.18 2qba n ILE 84 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 2qba s LYS 85 N -3.03 3.61 0.09 9.51 -0.14 -0.13 -4.94 119.74 124.72 2qba s LYS 85 Ca 0.18 0.13 -0.10 0.00 -1.36 0.00 0.00 55.97 54.81 2qba s LYS 85 Cb -0.02 -2.49 0.01 0.00 -1.68 0.00 0.00 37.83 33.64 2qba s LYS 85 CO 0.72 -0.00 0.23 1.14 -0.76 0.00 0.00 175.35 176.68 2qba s GLN 86 N -4.16 0.88 -0.25 1.68 -2.07 -1.26 -1.75 119.66 112.72 2qba s GLN 86 Ca 0.46 -0.87 -0.12 0.00 -1.82 0.00 0.00 55.36 53.00 2qba s GLN 86 Cb -0.10 0.36 0.08 0.00 -1.09 0.00 0.00 33.01 32.26 2qba s GLN 86 CO 0.36 -0.29 0.58 0.00 -1.32 0.00 0.00 175.29 174.63 2qba s ALA 87 N -3.72 -1.62 0.63 2.60 0.00 -0.81 -5.03 121.76 113.80 2qba s ALA 87 Ca 0.04 2.09 -0.13 0.00 0.00 0.00 0.00 51.96 53.95 2qba s ALA 87 Cb 0.04 -1.35 -0.03 0.00 0.00 0.00 0.00 23.12 21.78 2qba s ALA 87 CO -0.11 -0.49 1.04 -0.08 0.00 0.00 0.00 175.76 176.13 2qba s THR 88 N 1.90 4.18 0.13 0.00 -1.32 -1.25 -3.95 115.64 115.34 2qba s THR 88 Ca -0.08 0.84 -0.25 0.00 -1.21 0.00 0.00 61.69 60.99 2qba s THR 88 Cb -0.08 -3.54 -0.06 0.00 -1.51 0.00 0.00 72.50 67.32 2qba s THR 88 CO -0.17 -0.80 1.42 0.33 -2.21 0.00 0.00 174.62 173.19 2qba n PHE 89 N -2.52 -0.36 -0.26 9.09 -0.00 -1.26 -0.32 117.46 121.84 2qba n PHE 89 Ca 0.07 1.02 0.03 0.00 -0.00 0.00 0.00 57.45 58.57 2qba n PHE 89 Cb 0.54 -0.56 0.11 0.00 -0.00 0.00 0.00 39.48 39.57 2qba n PHE 89 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 2qba h GLU 90 N 0.00 0.03 -0.61 -4.13 4.81 -1.17 0.16 114.58 113.67 2qba h GLU 90 Ca 0.13 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.36 2qba h GLU 90 Cb 0.33 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 2qba h GLU 90 CO -0.77 0.02 0.39 0.93 -0.73 0.00 0.00 179.01 178.85 2qba h GLU 91 N 0.03 0.81 0.07 1.92 5.08 -0.95 -2.19 114.58 119.35 2qba h GLU 91 Ca 0.38 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.70 2qba h GLU 91 Cb 0.62 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.65 2qba h GLU 91 CO -0.73 0.56 -0.25 0.52 -1.00 0.00 0.00 179.01 178.11 2qba h MET 92 N 0.82 -0.41 -0.65 2.33 2.86 0.14 -2.41 114.93 117.61 2qba h MET 92 Ca 0.22 0.03 0.10 0.00 -2.06 0.00 0.00 59.70 57.99 2qba h MET 92 Cb -0.06 0.09 -0.08 0.00 0.06 0.00 0.00 31.60 31.62 2qba h MET 92 CO -0.04 -0.28 0.25 0.82 1.06 0.00 0.00 176.91 178.72 2qba h ILE 93 N -0.43 0.75 -1.02 -1.22 5.03 -1.06 -1.71 117.51 117.85 2qba h ILE 93 Ca 0.04 -0.15 0.40 0.00 -0.12 0.00 0.00 64.86 65.04 2qba h ILE 93 Cb 0.48 0.28 -0.17 0.00 -3.03 0.00 0.00 36.82 34.38 2qba h ILE 93 CO -0.18 0.08 0.57 0.00 -0.68 0.00 0.00 178.15 177.94 2qba h ALA 94 N 1.45 2.17 -2.81 1.87 0.00 -0.87 -3.37 119.26 117.69 2qba h ALA 94 Ca 0.33 0.25 -0.19 0.00 0.00 0.00 0.00 54.91 55.29 2qba h ALA 94 Cb 0.42 0.29 -0.31 0.00 0.00 0.00 0.00 17.79 18.19 2qba h ALA 94 CO -0.32 -0.92 -0.50 -0.98 0.00 0.00 0.00 179.25 176.53 2qba s ARG 95 N -5.53 0.18 -0.60 0.00 1.04 -0.64 -4.96 118.95 108.44 2qba s ARG 95 Ca -0.09 0.78 -0.02 0.00 -1.04 0.00 0.00 55.73 55.36 2qba s ARG 95 Cb 0.33 0.02 -0.03 0.00 -2.04 0.00 0.00 34.95 33.23 2qba s ARG 95 CO 0.78 -0.27 0.54 0.54 -0.04 0.00 0.00 175.30 176.85 2qba n ARG 96 N 5.25 -1.22 0.11 3.89 1.74 -1.25 -4.76 116.66 120.42 2qba n ARG 96 Ca -0.08 0.77 -0.01 0.00 -0.77 0.00 0.00 57.85 57.75 2qba n ARG 96 Cb 0.50 -4.26 0.24 0.00 -1.02 0.00 0.00 32.46 27.93 2qba n ARG 96 CO 0.00 0.00 0.00 -1.35 -1.52 0.00 0.00 177.63 174.76 2qba h PRO 97 N -0.33 0.18 -0.99 5.56 0.11 -1.72 -3.23 132.00 131.58 2qba h PRO 97 Ca -0.25 -0.09 0.32 0.00 0.11 0.00 0.00 66.00 66.10 2qba h PRO 97 Cb 1.13 -0.00 -0.18 0.00 0.11 0.00 0.00 31.00 32.05 2qba h PRO 97 CO 0.25 0.57 0.20 0.39 -0.21 0.00 0.00 178.00 179.20 2qba n GLU 98 N -4.03 -0.07 -0.30 1.05 4.71 -1.26 0.38 120.64 121.12 2qba n GLU 98 Ca -0.02 1.45 -0.00 0.00 -0.01 0.00 0.00 57.16 58.58 2qba n GLU 98 Cb 0.47 -2.40 0.12 0.00 -1.01 0.00 0.00 31.44 28.63 2qba n GLU 98 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2qba h ARG 99 N 0.00 0.94 -1.43 3.49 3.08 -1.96 -1.21 114.38 117.29 2qba h ARG 99 Ca 0.68 -0.06 0.46 0.00 0.07 0.00 0.00 59.98 61.14 2qba h ARG 99 Cb 1.58 -0.21 -0.12 0.00 0.08 0.00 0.00 29.97 31.30 2qba h ARG 99 CO -0.88 0.62 0.94 0.28 -1.07 0.00 0.00 179.97 179.86 2qba h VAL 100 N 0.96 0.08 0.06 2.04 2.07 -0.28 0.70 116.25 121.89 2qba h VAL 100 Ca 0.35 -0.02 -0.34 0.00 0.82 0.00 0.00 66.70 67.52 2qba h VAL 100 Cb 0.12 0.03 -0.03 0.00 -1.52 0.00 0.00 31.29 29.88 2qba h VAL 100 CO -0.15 0.01 -1.88 -0.38 0.02 0.00 0.00 177.57 175.19 2qba n ILE 101 N -4.59 1.65 -0.11 4.57 2.08 -0.69 -3.18 119.36 119.08 2qba n ILE 101 Ca 0.39 -0.42 -0.05 0.00 0.56 0.00 0.00 62.75 63.22 2qba n ILE 101 Cb 1.55 -1.81 0.01 0.00 -0.75 0.00 0.00 39.64 38.64 2qba n ILE 101 CO 0.00 0.00 0.00 -0.33 0.56 0.00 0.00 176.55 176.78 2qba h GLU 102 N -0.37 -0.02 0.00 0.38 5.08 0.91 1.21 114.58 121.77 2qba h GLU 102 Ca -0.45 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 57.85 2qba h GLU 102 Cb 1.75 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.00 2qba h GLU 102 CO -0.08 -0.01 -0.31 -0.84 -1.00 0.00 0.00 179.01 176.77 2qba h ILE 103 N -0.02 0.67 -0.09 3.13 -0.00 -0.04 0.23 117.51 121.38 2qba h ILE 103 Ca 0.18 -1.46 -0.09 0.00 -0.00 0.00 0.00 64.86 63.49 2qba h ILE 103 Cb 0.30 1.97 0.00 0.00 -0.00 0.00 0.00 36.82 39.09 2qba h ILE 103 CO -0.40 0.31 -0.31 0.00 -0.00 0.00 0.00 178.15 177.75 2qba h ALA 104 N 1.69 0.16 -0.08 0.16 0.00 -0.91 0.94 119.26 121.22 2qba h ALA 104 Ca -0.00 -0.43 -0.19 0.00 0.00 0.00 0.00 54.91 54.29 2qba h ALA 104 Cb 0.94 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 2qba h ALA 104 CO 0.04 0.20 -0.75 -0.39 0.00 0.00 0.00 179.25 178.36 2qba h VAL 105 N -0.08 1.37 -0.07 0.00 -1.51 0.15 -2.90 116.25 113.21 2qba h VAL 105 Ca -0.01 -2.15 -0.11 0.00 -1.23 0.00 0.00 66.70 63.20 2qba h VAL 105 Cb 0.94 2.12 -0.01 0.00 -2.13 0.00 0.00 31.29 32.20 2qba h VAL 105 CO 0.07 0.65 -0.45 0.50 -1.23 0.00 0.00 177.57 177.10 2qba h LYS 106 N 0.30 0.16 -0.59 5.19 1.63 -0.55 0.10 116.57 122.80 2qba h LYS 106 Ca -0.04 -0.08 -0.03 0.00 -0.85 0.00 0.00 60.65 59.65 2qba h LYS 106 Cb 1.33 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.93 2qba h LYS 106 CO 0.13 0.58 0.23 0.78 -3.45 0.00 0.00 179.45 177.73 2qba h GLY 107 N 1.31 0.92 0.65 5.01 0.00 -0.64 -2.42 103.07 107.90 2qba h GLY 107 Ca 0.01 -0.47 -0.08 0.00 0.00 0.00 0.00 47.33 46.79 2qba h GLY 107 CO 0.07 0.44 -0.26 -0.33 0.00 0.00 0.00 176.54 176.46 2qba h MET 108 N 0.85 0.30 -6.52 4.80 2.86 -1.21 -3.46 114.93 112.54 2qba h MET 108 Ca 0.20 -0.23 -0.59 0.00 -2.06 0.00 0.00 59.70 57.02 2qba h MET 108 Cb 0.17 0.04 0.15 0.00 0.06 0.00 0.00 31.60 32.03 2qba h MET 108 CO -0.02 0.86 -0.20 1.28 1.06 0.00 0.00 176.91 179.90 2qba n LEU 109 N -4.48 1.31 -4.96 1.22 4.77 0.30 -5.00 117.00 110.15 2qba n LEU 109 Ca -0.08 0.87 -0.25 0.00 -0.03 0.00 0.00 56.01 56.53 2qba n LEU 109 Cb 0.47 -1.22 0.10 0.00 -2.33 0.00 0.00 43.42 40.43 2qba n LEU 109 CO 0.40 -2.47 0.59 -2.16 -1.33 0.00 0.00 177.39 172.42 2qba s PRO 110 N -1.98 1.83 0.00 3.23 0.04 -1.26 -4.93 135.00 131.92 2qba s PRO 110 Ca 0.66 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 61.00 2qba s PRO 110 Cb -0.52 -2.24 0.00 0.00 0.04 0.00 0.00 34.50 31.78 2qba s PRO 110 CO 0.55 -1.40 0.00 1.63 0.04 0.00 0.00 177.00 177.82 2qba n LYS 111 N -2.91 0.00 0.07 4.56 4.01 -1.26 -3.83 118.16 118.80 2qba n LYS 111 Ca 0.12 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 2qba n LYS 111 Cb 0.60 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 35.12 2qba n LYS 111 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2qba n GLY 112 N 0.00 -0.16 0.41 0.72 0.00 -1.26 -4.58 105.19 100.32 2qba n GLY 112 Ca 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.87 2qba n GLY 112 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2qba h PRO 113 N 0.00 -0.79 0.13 1.61 0.13 -1.99 0.65 132.00 131.75 2qba h PRO 113 Ca 0.00 0.05 -0.30 0.00 -0.87 0.00 0.00 66.00 64.89 2qba h PRO 113 Cb 0.04 0.18 -0.00 0.00 0.13 0.00 0.00 31.00 31.35 2qba h PRO 113 CO 0.00 -0.52 -1.44 1.25 -0.23 0.00 0.00 178.00 177.05 2qba h LEU 114 N -0.82 0.42 0.41 1.56 5.85 -1.93 -2.99 115.31 117.83 2qba h LEU 114 Ca -0.05 -0.53 -0.01 0.00 0.84 0.00 0.00 57.88 58.13 2qba h LEU 114 Cb 0.71 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.58 2qba h LEU 114 CO -0.07 1.44 -0.50 1.23 -0.34 0.00 0.00 178.44 180.21 2qba h GLY 115 N 1.57 -1.19 1.65 3.75 0.00 -1.66 -1.07 103.07 106.12 2qba h GLY 115 Ca -0.21 0.58 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 2qba h GLY 115 CO 0.18 -0.35 0.08 -0.09 0.00 0.00 0.00 176.54 176.36 2qba h ARG 116 N -0.93 0.45 -0.06 4.80 9.65 -1.02 -0.85 114.38 126.42 2qba h ARG 116 Ca -0.05 -0.07 0.02 0.00 -1.10 0.00 0.00 59.98 58.78 2qba h ARG 116 Cb 0.84 -0.08 -0.00 0.00 -1.39 0.00 0.00 29.97 29.33 2qba h ARG 116 CO -0.11 0.42 0.07 0.00 2.80 0.00 0.00 179.97 183.15 2qba h ALA 117 N 1.64 1.65 0.01 2.80 0.00 -1.20 -0.63 119.26 123.54 2qba h ALA 117 Ca 0.11 -0.00 -0.28 0.00 0.00 0.00 0.00 54.91 54.73 2qba h ALA 117 Cb 0.18 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2qba h ALA 117 CO -0.00 -0.10 -1.59 0.52 0.00 0.00 0.00 179.25 178.08 2qba h MET 118 N 0.00 0.03 -0.17 0.00 2.86 0.08 -3.37 114.93 114.36 2qba h MET 118 Ca 0.03 -0.05 -0.00 0.00 -2.06 0.00 0.00 59.70 57.62 2qba h MET 118 Cb 0.16 0.02 -0.01 0.00 0.06 0.00 0.00 31.60 31.83 2qba h MET 118 CO -0.00 0.66 0.10 0.35 1.06 0.00 0.00 176.91 179.07 2qba h PHE 119 N 0.01 0.22 0.00 -0.22 3.04 -0.68 -2.43 116.94 116.88 2qba h PHE 119 Ca -0.24 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.70 2qba h PHE 119 Cb 1.97 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 40.41 2qba h PHE 119 CO 0.01 0.20 0.45 0.07 -2.02 0.00 0.00 178.31 177.02 2qba h ARG 120 N 0.18 0.00 0.10 1.11 0.11 -1.61 0.65 114.38 114.92 2qba h ARG 120 Ca 0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.13 2qba h ARG 120 Cb 0.05 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.13 2qba h ARG 120 CO -0.01 0.00 -0.05 0.87 0.10 0.00 0.00 179.97 180.88 2qba h LYS 121 N 0.00 -0.13 -6.52 0.08 1.57 -1.65 -3.44 116.57 106.48 2qba h LYS 121 Ca 0.00 0.01 -0.53 0.00 -1.87 0.00 0.00 60.65 58.26 2qba h LYS 121 Cb 0.90 0.03 0.03 0.00 0.08 0.00 0.00 32.23 33.27 2qba h LYS 121 CO 0.00 0.38 0.92 -1.17 -0.57 0.00 0.00 179.45 179.01 2qba s LEU 122 N -8.92 4.37 0.00 2.94 0.20 0.22 -4.81 118.68 112.67 2qba s LEU 122 Ca -0.14 2.51 0.00 0.00 0.69 0.00 0.00 54.13 57.19 2qba s LEU 122 Cb 0.00 -3.58 0.00 0.00 -0.43 0.00 0.00 46.19 42.18 2qba s LEU 122 CO 0.53 -0.83 0.00 0.29 -0.29 0.00 0.00 176.35 176.05 2qba n LYS 123 N 4.76 3.05 0.00 1.98 4.01 -1.24 -5.00 118.16 125.73 2qba n LYS 123 Ca 0.15 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.95 2qba n LYS 123 Cb 0.40 0.00 0.00 0.00 -0.51 0.00 0.00 35.03 34.92 2qba n LYS 123 CO 0.00 0.00 0.00 1.33 -1.11 0.00 0.00 177.40 177.62 2qba n VAL 124 N 0.00 0.00 0.00 -0.18 0.24 -1.25 -3.84 118.33 113.30 2qba n VAL 124 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2qba n VAL 124 Cb 0.00 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.37 2qba n VAL 124 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 2qba n TYR 125 N -0.42 0.00 0.00 6.34 4.01 -1.26 -3.24 117.16 122.60 2qba n TYR 125 Ca 0.00 0.00 -0.04 0.00 -0.16 0.00 0.00 57.90 57.70 2qba n TYR 125 Cb 0.00 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.00 2qba n TYR 125 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2qba h ALA 126 N 0.00 -0.12 0.00 -0.72 0.00 -1.78 -3.42 119.26 113.21 2qba h ALA 126 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.80 2qba h ALA 126 Cb 0.00 0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.84 2qba h ALA 126 CO 0.00 -0.12 0.00 0.41 0.00 0.00 0.00 179.25 179.54 2qba n GLY 127 N 1.39 0.49 3.40 0.00 0.00 -1.25 -3.94 105.19 105.28 2qba n GLY 127 Ca -0.03 0.65 -0.17 0.00 0.00 0.00 0.00 46.02 46.47 2qba n GLY 127 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2qba n ASN 128 N 0.00 -3.54 -2.67 1.61 3.02 -1.26 -4.84 115.26 107.58 2qba n ASN 128 Ca 0.00 -0.67 -0.04 0.00 -0.03 0.00 0.00 54.58 53.84 2qba n ASN 128 Cb 0.00 -5.05 0.05 0.00 -0.61 0.00 0.00 39.78 34.18 2qba n ASN 128 CO 0.00 0.00 0.00 -1.84 -2.62 0.00 0.00 177.26 172.80 2qba n GLU 129 N -3.85 0.15 -3.82 3.52 -0.00 -1.26 -5.10 120.64 110.28 2qba n GLU 129 Ca -0.22 -0.82 -0.36 0.00 -0.00 0.00 0.00 57.16 55.77 2qba n GLU 129 Cb 0.65 -0.13 -0.07 0.00 -0.00 0.00 0.00 31.44 31.89 2qba n GLU 129 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2qba s HIS 130 N 0.59 3.47 -0.27 -1.84 -3.43 -1.26 -4.83 115.29 107.72 2qba s HIS 130 Ca 0.25 0.39 0.03 0.00 -0.80 0.00 0.00 55.06 54.92 2qba s HIS 130 Cb 0.16 -2.06 0.34 0.00 -1.43 0.00 0.00 32.58 29.59 2qba s HIS 130 CO -0.10 0.46 1.41 0.09 -2.00 0.00 0.00 174.74 174.59 2qba n ASN 131 N 2.90 3.36 -1.10 7.38 3.02 -1.26 -4.12 115.26 125.44 2qba n ASN 131 Ca -0.18 -2.74 0.05 0.00 -0.03 0.00 0.00 54.58 51.68 2qba n ASN 131 Cb 0.53 -0.66 0.26 0.00 -0.61 0.00 0.00 39.78 39.31 2qba n ASN 131 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 2qba n HIS 132 N -0.23 1.18 -0.19 3.10 8.25 -1.26 -4.66 115.22 121.42 2qba n HIS 132 Ca 0.27 -1.03 0.13 0.00 -0.26 0.00 0.00 57.72 56.83 2qba n HIS 132 Cb 1.03 -0.39 0.45 0.00 1.12 0.00 0.00 29.99 32.20 2qba n HIS 132 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qba h ALA 133 N 1.84 1.98 0.00 -1.41 0.00 -2.02 -1.24 119.26 118.41 2qba h ALA 133 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.98 2qba h ALA 133 Cb 1.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.30 2qba h ALA 133 CO 0.32 -0.18 0.22 0.00 0.00 0.00 0.00 179.25 179.61 2qba n ALA 134 N -2.49 0.67 0.79 0.00 0.00 -1.26 0.36 120.51 118.59 2qba n ALA 134 Ca 0.14 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.75 2qba n ALA 134 Cb 0.46 -0.78 0.03 0.00 0.00 0.00 0.00 19.45 19.17 2qba n ALA 134 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2qba n GLN 135 N -1.76 1.59 -3.84 0.00 3.00 -0.47 -5.02 117.38 110.88 2qba n GLN 135 Ca -0.01 -1.20 -0.34 0.00 -0.01 0.00 0.00 57.00 55.45 2qba n GLN 135 Cb 0.23 -1.34 0.02 0.00 0.00 0.00 0.00 30.24 29.15 2qba n GLN 135 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.06 178.10 2qba n GLN 136 N 0.41 -1.31 -2.27 -1.09 6.02 0.16 -4.87 117.38 114.43 2qba n GLN 136 Ca 0.09 0.34 -0.41 0.00 -0.01 0.00 0.00 57.00 57.01 2qba n GLN 136 Cb 0.42 -3.78 -0.03 0.00 1.02 0.00 0.00 30.24 27.87 2qba n GLN 136 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 2qba s PRO 137 N -6.47 4.41 0.35 -1.09 0.02 -1.26 -4.96 135.00 125.99 2qba s PRO 137 Ca 0.39 1.99 -0.25 0.00 0.02 0.00 0.00 61.00 63.15 2qba s PRO 137 Cb -0.16 -3.23 -0.10 0.00 0.02 0.00 0.00 34.50 31.03 2qba s PRO 137 CO 0.90 -0.24 0.97 -0.65 -0.33 0.00 0.00 177.00 177.65 2qba s GLN 138 N 0.12 4.46 0.64 5.54 -0.21 -1.23 -4.60 119.66 124.39 2qba s GLN 138 Ca 0.57 1.36 -0.16 0.00 0.02 0.00 0.00 55.36 57.15 2qba s GLN 138 Cb -0.35 -2.69 -0.01 0.00 1.00 0.00 0.00 33.01 30.96 2qba s GLN 138 CO 0.36 0.16 1.13 0.14 -2.12 0.00 0.00 175.29 174.95 2qba s VAL 139 N -1.67 3.12 -0.05 1.09 -7.23 -1.26 -1.83 120.40 112.56 2qba s VAL 139 Ca 0.53 0.56 0.02 0.00 -1.81 0.00 0.00 61.98 61.27 2qba s VAL 139 Cb -0.19 -3.10 0.02 0.00 0.56 0.00 0.00 36.38 33.67 2qba s VAL 139 CO 0.24 -0.29 -0.09 -0.22 -0.31 0.00 0.00 175.10 174.44 2qba s LEU 140 N -4.68 1.53 -0.58 1.32 0.20 -0.83 -4.82 118.68 110.82 2qba s LEU 140 Ca 0.69 -0.21 -0.27 0.00 0.69 0.00 0.00 54.13 55.03 2qba s LEU 140 Cb -0.22 -0.63 -0.03 0.00 -0.43 0.00 0.00 46.19 44.88 2qba s LEU 140 CO 0.39 0.00 1.91 -1.81 -0.29 0.00 0.00 176.35 176.55 2qba s ASP 141 N 0.70 5.23 0.00 3.68 -0.00 -1.26 -4.79 116.67 120.23 2qba s ASP 141 Ca -0.12 0.48 0.00 0.00 -0.00 0.00 0.00 52.55 52.91 2qba s ASP 141 Cb -0.14 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.25 2qba s ASP 141 CO 0.02 -2.38 0.00 -0.38 -0.00 0.00 0.00 175.17 172.43