#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qan n ARG 2 N 0.00 0.20 0.00 0.00 5.12 -1.26 -4.93 116.66 115.79 2qan n ARG 2 Ca 0.00 -1.30 0.00 0.00 -1.93 0.00 0.00 57.85 54.62 2qan n ARG 2 Cb 0.00 0.33 0.00 0.00 -1.16 0.00 0.00 32.46 31.63 2qan n ARG 2 CO 0.00 0.00 0.00 0.98 -1.93 0.00 0.00 177.63 176.68 2qan n TYR 3 N -0.09 0.00 -3.42 -1.55 9.36 -1.26 -4.79 117.16 115.41 2qan n TYR 3 Ca -0.19 0.00 -0.35 0.00 3.32 0.00 0.00 57.90 60.68 2qan n TYR 3 Cb 0.81 0.00 0.04 0.00 -0.63 0.00 0.00 39.34 39.56 2qan n TYR 3 CO 0.00 0.00 0.00 1.47 0.22 0.00 0.00 176.86 178.55 2qan n LEU 4 N 0.00 -3.29 0.00 2.98 -0.00 -1.26 -4.98 117.00 110.45 2qan n LEU 4 Ca 0.00 -0.06 0.00 0.00 -0.00 0.00 0.00 56.01 55.95 2qan n LEU 4 Cb 0.00 -1.86 0.00 0.00 -0.00 0.00 0.00 43.42 41.56 2qan n LEU 4 CO 0.00 -0.35 0.00 0.61 -0.00 0.00 0.00 177.39 177.65 2qan n GLY 5 N -0.20 2.36 3.57 1.47 0.00 -1.26 -5.07 105.19 106.06 2qan n GLY 5 Ca -0.06 -0.61 -0.19 0.00 0.00 0.00 0.00 46.02 45.16 2qan n GLY 5 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2qan s PRO 6 N 1.31 1.94 0.26 1.61 0.04 -1.26 -4.81 135.00 134.08 2qan s PRO 6 Ca 0.00 -0.09 -0.03 0.00 0.04 0.00 0.00 61.00 60.92 2qan s PRO 6 Cb 0.00 -4.96 0.43 0.00 0.04 0.00 0.00 34.50 30.02 2qan s PRO 6 CO 0.00 -4.23 1.83 0.87 0.04 0.00 0.00 177.00 175.51 2qan h LYS 7 N 11.73 0.88 -0.96 4.56 1.57 -1.98 -1.81 116.57 130.57 2qan h LYS 7 Ca 0.06 -0.05 0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2qan h LYS 7 Cb 0.99 -0.20 -0.06 0.00 0.08 0.00 0.00 32.23 33.04 2qan h LYS 7 CO 1.10 0.58 0.62 -0.07 -0.57 0.00 0.00 179.45 181.11 2qan h LEU 8 N 0.91 1.00 -0.60 2.94 -0.00 -1.93 -2.36 115.31 115.27 2qan h LEU 8 Ca 0.43 0.00 0.12 0.00 -0.00 0.00 0.00 57.88 58.43 2qan h LEU 8 Cb 0.36 -0.21 -0.10 0.00 -0.00 0.00 0.00 40.66 40.70 2qan h LEU 8 CO -0.24 0.66 0.00 0.50 -0.00 0.00 0.00 178.44 179.36 2qan h LYS 9 N 1.15 0.11 -0.35 1.13 3.64 -1.71 -0.63 116.57 119.91 2qan h LYS 9 Ca 0.40 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.84 2qan h LYS 9 Cb 0.11 -0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 31.85 2qan h LYS 9 CO -0.16 0.08 0.02 -0.07 -2.27 0.00 0.00 179.45 177.05 2qan h LEU 10 N 0.12 -0.10 -2.08 5.20 3.38 -1.44 -0.19 115.31 120.19 2qan h LEU 10 Ca 0.31 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.34 2qan h LEU 10 Cb 0.49 0.12 -0.00 0.00 0.09 0.00 0.00 40.66 41.37 2qan h LEU 10 CO -0.51 -0.01 -0.06 0.28 0.09 0.00 0.00 178.44 178.23 2qan h SER 11 N 0.12 0.00 -0.15 -0.43 0.02 -1.11 -2.11 113.55 109.88 2qan h SER 11 Ca 0.17 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.93 2qan h SER 11 Cb 0.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.77 2qan h SER 11 CO -0.27 0.06 -0.62 0.03 -1.14 0.00 0.00 176.83 174.89 2qan h ARG 12 N 0.00 0.77 0.24 3.45 3.08 0.25 -1.44 114.38 120.74 2qan h ARG 12 Ca -0.00 -0.53 -0.01 0.00 0.07 0.00 0.00 59.98 59.51 2qan h ARG 12 Cb 0.13 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.27 2qan h ARG 12 CO 0.01 1.15 -0.12 -0.09 -1.07 0.00 0.00 179.97 179.85 2qan h ARG 13 N 0.57 -0.32 0.00 0.04 9.65 -0.71 -2.82 114.38 120.78 2qan h ARG 13 Ca -0.01 0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.88 2qan h ARG 13 Cb 1.23 0.07 -0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2qan h ARG 13 CO 0.13 -0.03 -0.06 0.93 2.80 0.00 0.00 179.97 183.74 2qan h GLU 14 N -0.59 0.00 -0.04 0.20 4.39 -1.54 -3.46 114.58 113.54 2qan h GLU 14 Ca -0.03 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.66 2qan h GLU 14 Cb 0.43 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.08 2qan h GLU 14 CO 0.06 0.06 -0.01 0.41 -1.16 0.00 0.00 179.01 178.37 2qan n GLY 15 N -0.77 0.37 3.62 -3.84 0.00 -0.70 -5.04 105.19 98.83 2qan n GLY 15 Ca -0.02 -0.93 -0.09 0.00 0.00 0.00 0.00 46.02 44.97 2qan n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qan s THR 16 N -2.01 0.00 -0.60 2.61 2.01 -0.63 -4.91 115.64 112.11 2qan s THR 16 Ca 0.00 -1.36 -0.17 0.00 0.31 0.00 0.00 61.69 60.47 2qan s THR 16 Cb 0.00 -2.27 0.13 0.00 0.01 0.00 0.00 72.50 70.37 2qan s THR 16 CO 0.00 0.00 0.63 -0.62 -0.69 0.00 0.00 174.62 173.94 2qan s ASP 17 N -3.03 6.26 0.00 3.53 -1.08 -1.26 -4.39 116.67 116.69 2qan s ASP 17 Ca 0.22 -1.75 0.04 0.00 -0.52 0.00 0.00 52.55 50.54 2qan s ASP 17 Cb -0.02 -2.25 0.24 0.00 -1.46 0.00 0.00 42.92 39.43 2qan s ASP 17 CO 0.10 -0.94 0.77 0.18 0.52 0.00 0.00 175.17 175.80 2qan n LEU 18 N 5.60 0.00 -0.96 -1.34 7.99 -1.26 -4.80 117.00 122.23 2qan n LEU 18 Ca -0.08 0.00 -0.13 0.00 -0.01 0.00 0.00 56.01 55.79 2qan n LEU 18 Cb 0.42 0.00 -0.05 0.00 -0.11 0.00 0.00 43.42 43.68 2qan n LEU 18 CO 0.54 0.00 -0.12 0.49 -1.51 0.00 0.00 177.39 176.79 2qan n PHE 19 N -0.61 0.00 0.39 -1.77 3.72 -1.26 -4.84 117.46 113.09 2qan n PHE 19 Ca 0.03 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.56 2qan n PHE 19 Cb 0.01 -2.33 0.51 0.00 -0.94 0.00 0.00 39.48 36.73 2qan n PHE 19 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 2qan h LEU 20 N 0.00 0.00 -4.92 4.37 3.38 -1.92 -2.99 115.31 113.23 2qan h LEU 20 Ca -0.26 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.32 2qan h LEU 20 Cb 0.85 0.00 -0.40 0.00 0.09 0.00 0.00 40.66 41.20 2qan h LEU 20 CO 0.38 0.00 -1.09 1.17 0.09 0.00 0.00 178.44 178.99 2qan n LYS 21 N -2.38 1.75 -0.05 1.13 3.00 -1.26 -4.90 118.16 115.45 2qan n LYS 21 Ca 0.02 -3.56 0.00 0.00 -0.00 0.00 0.00 58.31 54.77 2qan n LYS 21 Cb 0.26 -1.52 0.00 0.00 0.00 0.00 0.00 35.03 33.77 2qan n LYS 21 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qan n SER 22 N -0.24 0.83 -3.33 3.14 7.64 -1.13 -4.78 113.62 115.74 2qan n SER 22 Ca 0.16 -0.85 -0.31 0.00 1.01 0.00 0.00 58.87 58.88 2qan n SER 22 Cb 0.79 -0.16 0.29 0.00 -1.01 0.00 0.00 64.21 64.12 2qan n SER 22 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2qan s GLY 23 N 1.52 1.42 0.00 0.23 0.00 -1.26 -4.74 107.32 104.49 2qan s GLY 23 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 44.72 43.80 2qan s GLY 23 CO 0.00 0.11 0.28 3.33 0.00 0.00 0.00 173.10 176.82 2qan n VAL 24 N -5.64 0.00 0.00 1.40 0.24 -1.26 -4.81 118.33 108.26 2qan n VAL 24 Ca 0.14 0.78 0.00 0.00 -2.04 0.00 0.00 64.34 63.22 2qan n VAL 24 Cb 0.61 -1.66 0.00 0.00 -1.47 0.00 0.00 33.84 31.32 2qan n VAL 24 CO 0.00 0.00 0.00 -2.11 -2.14 0.00 0.00 176.83 172.58 2qan n ARG 25 N -0.35 3.08 0.00 7.34 -4.01 -1.26 -4.81 116.66 116.65 2qan n ARG 25 Ca 0.00 0.00 0.00 0.00 -1.04 0.00 0.00 57.85 56.81 2qan n ARG 25 Cb 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 32.46 29.42 2qan n ARG 25 CO 0.00 0.00 0.00 0.00 -3.04 0.00 0.00 177.63 174.59 2qan n ALA 26 N -3.00 0.00 -2.64 2.89 0.00 -1.26 -4.97 120.51 111.52 2qan n ALA 26 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2qan n ALA 26 Cb 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 2qan n ALA 26 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 2qan n ILE 27 N 0.00-11.76 -1.01 0.00 -0.00 -1.26 -4.83 119.36 100.50 2qan n ILE 27 Ca 0.00 1.91 0.13 0.00 -0.00 0.00 0.00 62.75 64.79 2qan n ILE 27 Cb 0.00 -6.76 -0.05 0.00 -0.00 0.00 0.00 39.64 32.83 2qan n ILE 27 CO 0.00 0.00 0.00 -0.90 -0.00 0.00 0.00 176.55 175.65 2qan n ASP 28 N 0.81 -5.99 -1.47 4.38 5.75 -1.26 -5.00 116.55 113.76 2qan n ASP 28 Ca -0.06 0.77 0.19 0.00 -0.01 0.00 0.00 54.79 55.69 2qan n ASP 28 Cb 0.09 -3.31 -0.06 0.00 -1.03 0.00 0.00 41.12 36.81 2qan n ASP 28 CO 0.00 0.00 0.00 0.41 -0.11 0.00 0.00 177.20 177.50 2qan n THR 29 N -3.75 0.00 -1.78 2.12 -1.04 -1.26 -4.77 114.28 103.79 2qan n THR 29 Ca -0.03 0.30 -0.18 0.00 -2.04 0.00 0.00 64.05 62.10 2qan n THR 29 Cb 0.47 -0.80 -0.06 0.00 -1.82 0.00 0.00 70.33 68.12 2qan n THR 29 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2qan n LYS 30 N -4.33 -1.53 0.00 -2.82 4.01 -1.26 -4.24 118.16 107.99 2qan n LYS 30 Ca -0.02 1.03 0.00 0.00 -0.51 0.00 0.00 58.31 58.81 2qan n LYS 30 Cb 0.68 -5.46 0.00 0.00 -0.51 0.00 0.00 35.03 29.74 2qan n LYS 30 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qan n LYS 32 N -0.11 -2.07 -1.65 0.00 3.00 -1.26 -4.97 118.16 111.10 2qan n LYS 32 Ca 0.00 0.28 -0.44 0.00 -0.00 0.00 0.00 58.31 58.15 2qan n LYS 32 Cb 0.00 -3.56 -0.01 0.00 0.00 0.00 0.00 35.03 31.46 2qan n LYS 32 CO 0.00 0.00 0.00 1.51 0.00 0.00 0.00 177.40 178.91 2qan n ILE 33 N -2.02 1.76 -3.28 3.15 0.13 -1.26 -3.02 119.36 114.81 2qan n ILE 33 Ca -0.09 -0.44 -0.11 0.00 -1.10 0.00 0.00 62.75 61.01 2qan n ILE 33 Cb 0.55 -1.33 0.02 0.00 -0.84 0.00 0.00 39.64 38.05 2qan n ILE 33 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 2qan n GLU 34 N 0.92 -1.56 0.00 9.51 4.07 -1.26 -4.91 120.64 127.41 2qan n GLU 34 Ca 0.08 1.10 0.00 0.00 -0.06 0.00 0.00 57.16 58.28 2qan n GLU 34 Cb 0.33 -5.14 0.00 0.00 -0.06 0.00 0.00 31.44 26.57 2qan n GLU 34 CO 0.00 0.00 0.00 1.04 -0.06 0.00 0.00 177.13 178.11 2qan n GLN 35 N -2.59 0.00 0.00 5.31 3.00 -1.17 -5.09 117.38 116.84 2qan n GLN 35 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.92 2qan n GLN 35 Cb 0.57 -0.32 0.00 0.00 0.00 0.00 0.00 30.24 30.49 2qan n GLN 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2qan n ALA 36 N -1.17 0.00 0.06 -1.58 0.00 -1.26 -3.80 120.51 112.75 2qan n ALA 36 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.47 2qan n ALA 36 Cb 0.00 0.00 0.14 0.00 0.00 0.00 0.00 19.45 19.59 2qan n ALA 36 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 2qan n PRO 37 N 0.00 0.03 0.00 0.00 -0.02 -1.26 -4.67 135.00 129.08 2qan n PRO 37 Ca 0.00 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2qan n PRO 37 Cb 0.00 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2qan n PRO 37 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2qan n GLY 38 N -1.33 3.36 0.25 -1.23 0.00 -1.26 -4.85 105.19 100.13 2qan n GLY 38 Ca -0.00 -0.76 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 2qan n GLY 38 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 2qan h GLN 39 N 0.00 0.55 -0.02 1.61 -0.00 -2.02 -3.04 115.11 112.19 2qan h GLN 39 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 58.65 58.45 2qan h GLN 39 Cb 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 27.48 27.44 2qan h GLN 39 CO 0.00 0.73 -0.09 0.72 -0.00 0.00 0.00 178.83 180.19 2qan n HIS 40 N -4.14 0.00 -0.32 0.06 8.25 -1.26 -4.54 115.22 113.27 2qan n HIS 40 Ca 0.00 0.00 0.36 0.00 -0.26 0.00 0.00 57.72 57.82 2qan n HIS 40 Cb 0.39 0.00 0.69 0.00 1.12 0.00 0.00 29.99 32.19 2qan n HIS 40 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 2qan h GLY 41 N 3.91 0.00 -0.47 -1.41 0.00 -1.80 -0.63 103.07 102.67 2qan h GLY 41 Ca 0.00 0.00 0.31 0.00 0.00 0.00 0.00 47.33 47.64 2qan h GLY 41 CO 0.00 0.00 0.56 0.00 0.00 0.00 0.00 176.54 177.10 2qan h ALA 42 N 1.10 1.91 -2.48 3.60 0.00 -1.80 -3.41 119.26 118.19 2qan h ALA 42 Ca 0.58 0.18 -0.48 0.00 0.00 0.00 0.00 54.91 55.19 2qan h ALA 42 Cb 2.62 0.14 0.04 0.00 0.00 0.00 0.00 17.79 20.59 2qan h ALA 42 CO -0.01 -0.53 0.42 1.03 0.00 0.00 0.00 179.25 180.16 2qan s ARG 43 N -5.69 3.84 -0.86 0.00 1.81 -0.24 -4.99 118.95 112.83 2qan s ARG 43 Ca -0.10 1.51 -0.06 0.00 -1.72 0.00 0.00 55.73 55.36 2qan s ARG 43 Cb 0.30 -2.27 0.22 0.00 -0.45 0.00 0.00 34.95 32.74 2qan s ARG 43 CO 0.79 -0.42 0.76 0.21 -0.68 0.00 0.00 175.30 175.96 2qan s LYS 44 N -2.92 3.36 0.81 3.54 2.20 -1.26 -5.06 119.74 120.41 2qan s LYS 44 Ca 0.64 -2.93 -0.11 0.00 -0.36 0.00 0.00 55.97 53.22 2qan s LYS 44 Cb -0.21 -4.12 0.08 0.00 -1.51 0.00 0.00 37.83 32.07 2qan s LYS 44 CO 0.26 -1.24 1.09 -1.25 -0.36 0.00 0.00 175.35 173.84 2qan s PRO 45 N -0.72 1.94 -0.40 4.03 0.04 -1.26 -5.01 135.00 133.61 2qan s PRO 45 Ca 0.24 0.96 -0.17 0.00 0.04 0.00 0.00 61.00 62.07 2qan s PRO 45 Cb -0.11 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.56 2qan s PRO 45 CO -0.09 -1.81 0.42 1.03 0.04 0.00 0.00 177.00 176.59 2qan s ARG 46 N -4.95 3.20 0.25 4.56 0.52 -1.26 -5.05 118.95 116.22 2qan s ARG 46 Ca 0.62 -0.68 -0.30 0.00 -0.52 0.00 0.00 55.73 54.85 2qan s ARG 46 Cb -0.17 -3.93 -0.09 0.00 0.52 0.00 0.00 34.95 31.28 2qan s ARG 46 CO 0.56 -0.78 1.31 -1.17 0.02 0.00 0.00 175.30 175.24 2qan s LEU 47 N 2.11 4.43 0.48 2.53 2.96 -1.26 -5.01 118.68 124.92 2qan s LEU 47 Ca 0.12 2.51 -0.11 0.00 -0.22 0.00 0.00 54.13 56.43 2qan s LEU 47 Cb -0.17 -3.63 -0.06 0.00 0.50 0.00 0.00 46.19 42.84 2qan s LEU 47 CO 0.13 -0.52 0.87 -0.94 -1.32 0.00 0.00 176.35 174.57 2qan s SER 48 N -0.03 6.46 0.34 3.68 1.04 -1.26 -4.77 113.70 119.15 2qan s SER 48 Ca 0.53 1.26 0.13 0.00 0.48 0.00 0.00 55.95 58.35 2qan s SER 48 Cb -0.38 -2.38 1.07 0.00 0.10 0.00 0.00 66.02 64.43 2qan s SER 48 CO 0.44 -0.55 1.61 -0.78 0.98 0.00 0.00 173.24 174.94 2qan h ASP 49 N 0.76 0.19 0.01 7.02 3.58 -2.00 0.58 116.42 126.56 2qan h ASP 49 Ca -0.47 0.23 -0.00 0.00 0.42 0.00 0.00 57.03 57.22 2qan h ASP 49 Cb 1.19 0.27 0.00 0.00 1.72 0.00 0.00 39.33 42.51 2qan h ASP 49 CO 0.63 -0.29 -0.01 0.22 -2.88 0.00 0.00 179.24 176.91 2qan h TYR 50 N 0.13 -0.01 -0.90 0.28 3.20 -2.01 -3.17 116.97 114.49 2qan h TYR 50 Ca 0.73 -0.00 0.14 0.00 3.14 0.00 0.00 58.73 62.74 2qan h TYR 50 Cb 1.73 0.00 -0.09 0.00 1.54 0.00 0.00 36.73 39.92 2qan h TYR 50 CO -0.13 0.40 0.51 0.78 -1.64 0.00 0.00 178.16 178.08 2qan h GLY 51 N -0.43 1.49 0.40 1.82 0.00 -0.32 0.67 103.07 106.70 2qan h GLY 51 Ca -0.00 -0.32 0.14 0.00 0.00 0.00 0.00 47.33 47.15 2qan h GLY 51 CO 0.00 0.02 0.62 -2.08 0.00 0.00 0.00 176.54 175.11 2qan h VAL 52 N 0.75 0.87 0.00 4.60 2.07 -0.76 0.10 116.25 123.88 2qan h VAL 52 Ca 0.48 -0.31 -0.10 0.00 0.82 0.00 0.00 66.70 67.59 2qan h VAL 52 Cb 0.62 -0.13 0.01 0.00 -1.52 0.00 0.00 31.29 30.27 2qan h VAL 52 CO -0.33 0.17 -0.38 1.56 0.02 0.00 0.00 177.57 178.61 2qan h GLN 53 N 0.92 0.25 0.00 1.57 4.20 -0.96 -2.47 115.11 118.63 2qan h GLN 53 Ca 0.51 -0.28 -0.00 0.00 0.06 0.00 0.00 58.65 58.94 2qan h GLN 53 Cb 0.60 0.08 -0.00 0.00 0.30 0.00 0.00 27.48 28.46 2qan h GLN 53 CO -0.28 0.99 -0.00 1.25 -0.67 0.00 0.00 178.83 180.12 2qan h LEU 54 N -0.37 0.00 0.00 1.46 7.12 -0.33 -0.08 115.31 123.11 2qan h LEU 54 Ca -0.05 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 57.96 2qan h LEU 54 Cb 1.13 0.00 -0.00 0.00 -0.53 0.00 0.00 40.66 41.26 2qan h LEU 54 CO 0.08 0.00 -0.04 -0.09 -0.13 0.00 0.00 178.44 178.26 2qan h ARG 55 N 0.00 0.00 -1.01 1.25 9.65 -0.87 -1.44 114.38 121.96 2qan h ARG 55 Ca -0.00 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.10 2qan h ARG 55 Cb 0.00 0.00 -0.11 0.00 -1.39 0.00 0.00 29.97 28.47 2qan h ARG 55 CO 0.00 0.67 0.61 1.49 2.80 0.00 0.00 179.97 185.54 2qan h GLU 56 N -1.00 0.63 -0.13 0.20 4.57 -1.17 0.21 114.58 117.89 2qan h GLU 56 Ca -0.01 -0.04 -0.13 0.00 -1.18 0.00 0.00 59.36 58.00 2qan h GLU 56 Cb 0.69 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.14 2qan h GLU 56 CO -0.01 0.42 -0.43 -0.22 -1.18 0.00 0.00 179.01 177.59 2qan h LYS 57 N 0.65 0.52 -0.59 1.92 3.11 -1.10 -3.16 116.57 117.93 2qan h LYS 57 Ca 0.61 -0.39 -0.02 0.00 -2.81 0.00 0.00 60.65 58.05 2qan h LYS 57 Cb 1.09 0.07 -0.03 0.00 -1.00 0.00 0.00 32.23 32.36 2qan h LYS 57 CO -0.42 1.01 0.31 0.37 -2.81 0.00 0.00 179.45 177.91 2qan h GLN 58 N 0.14 0.83 0.00 1.90 5.75 0.16 -2.61 115.11 121.28 2qan h GLN 58 Ca -0.02 -0.11 0.00 0.00 -0.15 0.00 0.00 58.65 58.38 2qan h GLN 58 Cb 1.06 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 29.45 2qan h GLN 58 CO 0.09 0.65 0.00 1.17 -2.65 0.00 0.00 178.83 178.09 2qan n LYS 59 N -4.56 0.00 0.03 1.69 4.81 0.53 -1.81 118.16 118.85 2qan n LYS 59 Ca 0.04 0.58 0.21 0.00 -0.87 0.00 0.00 58.31 58.26 2qan n LYS 59 Cb 0.10 -1.44 0.58 0.00 0.02 0.00 0.00 35.03 34.29 2qan n LYS 59 CO 0.00 0.00 0.00 -0.24 1.17 0.00 0.00 177.40 178.33 2qan h VAL 60 N 0.00 0.15 -0.00 3.15 3.04 -1.60 -0.24 116.25 120.75 2qan h VAL 60 Ca 0.00 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.69 2qan h VAL 60 Cb 0.00 0.36 0.00 0.00 -2.01 0.00 0.00 31.29 29.64 2qan h VAL 60 CO 0.00 0.00 -0.01 -0.09 -1.01 0.00 0.00 177.57 176.46 2qan h ARG 61 N 0.00 0.01 0.00 4.17 2.43 -1.02 -3.28 114.38 116.69 2qan h ARG 61 Ca 0.26 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.42 2qan h ARG 61 Cb 1.78 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.33 2qan h ARG 61 CO -0.00 0.75 0.00 2.89 -1.51 0.00 0.00 179.97 182.10 2qan n ARG 62 N -4.72 0.11 -0.19 0.20 1.85 -0.17 -2.59 116.66 111.16 2qan n ARG 62 Ca -0.09 0.24 -0.10 0.00 -1.00 0.00 0.00 57.85 56.89 2qan n ARG 62 Cb 0.37 -1.67 0.01 0.00 -1.05 0.00 0.00 32.46 30.12 2qan n ARG 62 CO 0.00 0.00 0.00 0.82 -0.01 0.00 0.00 177.63 178.44 2qan h ILE 63 N 0.00 1.27 -0.01 8.89 2.04 -1.42 -2.82 117.51 125.45 2qan h ILE 63 Ca 0.00 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.62 2qan h ILE 63 Cb 0.44 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.48 2qan h ILE 63 CO 0.00 0.44 -0.28 -1.22 0.00 0.00 0.00 178.15 177.09 2qan n TYR 64 N -4.18 0.00 0.00 1.37 4.02 -1.17 -4.95 117.16 112.26 2qan n TYR 64 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.90 2qan n TYR 64 Cb 0.39 -0.05 0.00 0.00 -0.02 0.00 0.00 39.34 39.65 2qan n TYR 64 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 2qan n GLY 65 N 1.35 2.93 3.72 2.72 0.00 -1.07 -4.97 105.19 109.87 2qan n GLY 65 Ca 0.12 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.73 2qan n GLY 65 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qan n VAL 66 N -2.00 2.39 -2.31 1.61 0.24 -1.17 -4.88 118.33 112.21 2qan n VAL 66 Ca 0.00 -0.50 -0.26 0.00 -2.04 0.00 0.00 64.34 61.54 2qan n VAL 66 Cb 0.00 -1.66 0.16 0.00 -1.47 0.00 0.00 33.84 30.87 2qan n VAL 66 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 2qan s LEU 67 N -1.71 2.85 0.03 1.34 1.43 -1.26 -4.44 118.68 116.92 2qan s LEU 67 Ca 0.59 -0.19 -0.16 0.00 -1.03 0.00 0.00 54.13 53.34 2qan s LEU 67 Cb -0.51 -1.93 -0.08 0.00 0.03 0.00 0.00 46.19 43.70 2qan s LEU 67 CO 0.60 -2.37 1.24 -0.08 0.23 0.00 0.00 176.35 175.96 2qan h GLU 68 N -1.10 -0.48 -0.47 1.70 4.57 -1.97 -2.00 114.58 114.83 2qan h GLU 68 Ca -0.39 0.03 0.04 0.00 -1.18 0.00 0.00 59.36 57.87 2qan h GLU 68 Cb 1.24 0.11 -0.06 0.00 -0.16 0.00 0.00 28.75 29.88 2qan h GLU 68 CO 0.36 -0.32 -0.32 -0.09 -1.18 0.00 0.00 179.01 177.45 2qan h ARG 69 N -0.50 -0.06 -0.61 1.92 9.65 -1.99 0.41 114.38 123.20 2qan h ARG 69 Ca -0.04 0.00 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 2qan h ARG 69 Cb 0.41 0.01 -0.08 0.00 -1.39 0.00 0.00 29.97 28.92 2qan h ARG 69 CO 0.03 -0.04 0.18 0.37 2.80 0.00 0.00 179.97 183.32 2qan h GLN 70 N -0.06 0.32 -0.28 0.20 4.15 -1.97 -1.13 115.11 116.34 2qan h GLN 70 Ca 0.08 -0.02 0.04 0.00 0.77 0.00 0.00 58.65 59.51 2qan h GLN 70 Cb 0.26 -0.07 -0.04 0.00 0.21 0.00 0.00 27.48 27.84 2qan h GLN 70 CO -0.47 0.21 0.06 0.35 -1.93 0.00 0.00 178.83 177.05 2qan h PHE 71 N 0.33 0.11 -0.55 3.99 3.57 -0.33 -2.35 116.94 121.71 2qan h PHE 71 Ca 0.32 0.02 0.10 0.00 3.53 0.00 0.00 57.97 61.93 2qan h PHE 71 Cb 0.44 -0.01 -0.11 0.00 2.79 0.00 0.00 35.95 39.07 2qan h PHE 71 CO -0.21 0.03 -0.35 -0.09 -2.23 0.00 0.00 178.31 175.47 2qan h ARG 72 N 0.17 -0.18 -0.72 1.11 9.65 0.10 0.15 114.38 124.66 2qan h ARG 72 Ca 0.13 0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.08 2qan h ARG 72 Cb 0.13 0.04 -0.04 0.00 -1.39 0.00 0.00 29.97 28.71 2qan h ARG 72 CO -0.17 -0.12 0.48 -0.91 2.80 0.00 0.00 179.97 182.05 2qan h ASN 73 N -0.19 0.68 -0.68 -3.80 4.21 -1.04 -1.23 115.58 113.53 2qan h ASN 73 Ca 0.21 0.00 0.02 0.00 1.21 0.00 0.00 56.30 57.74 2qan h ASN 73 Cb 0.55 -0.14 -0.04 0.00 -1.12 0.00 0.00 38.32 37.57 2qan h ASN 73 CO -0.65 0.44 0.44 1.88 -1.29 0.00 0.00 177.43 178.25 2qan h TYR 74 N 0.77 0.83 -0.48 1.19 0.05 -0.21 -1.80 116.97 117.31 2qan h TYR 74 Ca 0.31 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 59.09 2qan h TYR 74 Cb 0.23 -0.28 -0.02 0.00 1.01 0.00 0.00 36.73 37.67 2qan h TYR 74 CO -0.00 0.50 0.24 -0.92 -1.05 0.00 0.00 178.16 176.93 2qan h TYR 75 N 0.88 0.69 -0.90 4.88 3.20 -0.53 -0.79 116.97 124.40 2qan h TYR 75 Ca 0.26 -0.03 0.20 0.00 3.14 0.00 0.00 58.73 62.30 2qan h TYR 75 Cb -0.05 -0.22 -0.07 0.00 1.54 0.00 0.00 36.73 37.94 2qan h TYR 75 CO -0.03 0.54 0.59 0.87 -1.64 0.00 0.00 178.16 178.48 2qan h LYS 76 N 0.64 0.43 0.05 1.82 1.57 -0.55 -1.61 116.57 118.92 2qan h LYS 76 Ca 0.17 -0.03 -0.00 0.00 -1.87 0.00 0.00 60.65 58.92 2qan h LYS 76 Cb 0.10 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.31 2qan h LYS 76 CO -0.02 0.28 -0.02 1.49 -0.57 0.00 0.00 179.45 180.61 2qan h GLU 77 N 0.44 -0.07 -1.51 3.15 4.57 -0.62 -2.97 114.58 117.58 2qan h GLU 77 Ca 0.47 0.00 0.44 0.00 -1.18 0.00 0.00 59.36 59.10 2qan h GLU 77 Cb 1.11 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.64 2qan h GLU 77 CO -0.19 0.56 1.06 0.00 -1.18 0.00 0.00 179.01 179.26 2qan h ALA 78 N -0.10 3.30 0.02 2.92 0.00 -0.24 0.13 119.26 125.30 2qan h ALA 78 Ca -0.01 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.81 2qan h ALA 78 Cb 0.65 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.57 2qan h ALA 78 CO 0.01 -1.78 -0.36 0.00 0.00 0.00 0.00 179.25 177.12 2qan h ALA 79 N 1.30 0.04 0.00 0.00 0.00 -1.44 -3.17 119.26 115.99 2qan h ALA 79 Ca 0.75 -0.67 0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qan h ALA 79 Cb 2.85 0.16 0.00 0.00 0.00 0.00 0.00 17.79 20.80 2qan h ALA 79 CO -0.09 0.19 0.00 2.89 0.00 0.00 0.00 179.25 182.25 2qan n ARG 80 N -4.50 0.15 -2.48 0.00 1.85 0.10 -4.71 116.66 107.07 2qan n ARG 80 Ca -0.15 0.46 -0.41 0.00 -1.00 0.00 0.00 57.85 56.75 2qan n ARG 80 Cb 0.57 -1.84 -0.04 0.00 -1.05 0.00 0.00 32.46 30.10 2qan n ARG 80 CO 0.00 0.00 0.00 -0.51 -0.01 0.00 0.00 177.63 177.11 2qan s LEU 81 N -4.27 4.48 0.00 2.89 1.43 0.23 -4.88 118.68 118.57 2qan s LEU 81 Ca 0.03 2.13 0.00 0.00 -1.03 0.00 0.00 54.13 55.26 2qan s LEU 81 Cb 0.08 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.70 2qan s LEU 81 CO 0.32 -0.25 0.23 0.29 0.23 0.00 0.00 176.35 177.17 2qan n LYS 82 N 2.33 0.00 0.00 1.70 5.02 -1.26 -4.58 118.16 121.37 2qan n LYS 82 Ca 0.03 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.32 2qan n LYS 82 Cb 0.46 -1.23 0.00 0.00 -0.02 0.00 0.00 35.03 34.24 2qan n LYS 82 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qan n GLY 83 N -0.72 2.30 3.33 0.72 0.00 -1.26 -5.08 105.19 104.48 2qan n GLY 83 Ca 0.00 -1.74 -0.37 0.00 0.00 0.00 0.00 46.02 43.91 2qan n GLY 83 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2qan s ASN 84 N -0.76 5.12 0.35 1.61 3.04 -1.26 -4.98 114.94 118.05 2qan s ASN 84 Ca 0.00 -0.75 0.17 0.00 0.04 0.00 0.00 52.86 52.32 2qan s ASN 84 Cb 0.00 -1.87 1.20 0.00 -1.54 0.00 0.00 41.25 39.03 2qan s ASN 84 CO 0.00 -0.20 1.62 0.74 -3.04 0.00 0.00 177.10 176.22 2qan h THR 85 N 5.90 0.16 0.00 -5.21 2.02 -1.86 0.11 112.91 114.03 2qan h THR 85 Ca -0.31 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 66.82 2qan h THR 85 Cb 1.12 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2qan h THR 85 CO 0.60 0.03 0.00 0.61 0.37 0.00 0.00 175.52 177.13 2qan n GLY 86 N -1.28 -3.09 0.18 2.16 0.00 -1.26 -1.20 105.19 100.70 2qan n GLY 86 Ca 0.34 0.28 -0.04 0.00 0.00 0.00 0.00 46.02 46.61 2qan n GLY 86 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 2qan h GLU 87 N 0.00 0.06 -0.92 1.61 4.22 -1.87 -2.39 114.58 115.29 2qan h GLU 87 Ca 0.00 -0.00 0.18 0.00 0.08 0.00 0.00 59.36 59.61 2qan h GLU 87 Cb 0.00 -0.01 -0.17 0.00 0.50 0.00 0.00 28.75 29.07 2qan h GLU 87 CO 0.00 0.04 -0.26 -0.91 -2.18 0.00 0.00 179.01 175.70 2qan h ASN 88 N 0.06 -0.96 0.30 1.04 4.21 -0.74 0.61 115.58 120.11 2qan h ASN 88 Ca 0.21 0.28 -0.01 0.00 1.21 0.00 0.00 56.30 57.99 2qan h ASN 88 Cb 0.32 0.60 0.00 0.00 -1.12 0.00 0.00 38.32 38.12 2qan h ASN 88 CO -0.40 -0.30 -0.15 0.25 -1.29 0.00 0.00 177.43 175.55 2qan h LEU 89 N -0.01 -0.34 -0.43 1.61 5.85 -0.61 0.22 115.31 121.59 2qan h LEU 89 Ca 0.42 0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.21 2qan h LEU 89 Cb 0.66 0.09 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 2qan h LEU 89 CO -0.94 -0.25 0.13 -0.07 -0.34 0.00 0.00 178.44 176.98 2qan h LEU 90 N -0.41 0.12 -0.55 2.25 -0.00 -1.18 -1.69 115.31 113.86 2qan h LEU 90 Ca -0.04 0.06 -0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2qan h LEU 90 Cb 0.31 0.05 -0.03 0.00 -0.00 0.00 0.00 40.66 41.00 2qan h LEU 90 CO 0.07 0.10 0.32 0.00 -0.00 0.00 0.00 178.44 178.93 2qan h ALA 91 N 1.29 0.70 -0.87 1.53 0.00 -0.74 0.22 119.26 121.39 2qan h ALA 91 Ca 0.20 -0.08 0.14 0.00 0.00 0.00 0.00 54.91 55.18 2qan h ALA 91 Cb 0.21 -0.22 -0.07 0.00 0.00 0.00 0.00 17.79 17.71 2qan h ALA 91 CO -0.22 0.19 0.56 -0.07 0.00 0.00 0.00 179.25 179.71 2qan h LEU 92 N 0.74 0.62 0.02 0.00 -0.00 0.16 0.11 115.31 116.97 2qan h LEU 92 Ca 0.20 0.04 -0.00 0.00 -0.00 0.00 0.00 57.88 58.11 2qan h LEU 92 Cb 0.00 -0.09 0.00 0.00 -0.00 0.00 0.00 40.66 40.57 2qan h LEU 92 CO -0.04 0.32 -0.01 -0.07 -0.00 0.00 0.00 178.44 178.65 2qan h LEU 93 N 0.66 -0.02 -1.40 1.67 3.38 -0.57 -3.26 115.31 115.78 2qan h LEU 93 Ca 0.43 -0.67 0.14 0.00 0.09 0.00 0.00 57.88 57.88 2qan h LEU 93 Cb 0.71 0.01 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 2qan h LEU 93 CO -0.19 0.68 0.55 -0.08 0.09 0.00 0.00 178.44 179.49 2qan h GLU 94 N -0.75 0.58 0.00 1.13 4.57 -0.28 0.22 114.58 120.05 2qan h GLU 94 Ca -0.00 -0.03 -0.00 0.00 -1.18 0.00 0.00 59.36 58.14 2qan h GLU 94 Cb 0.69 -0.13 -0.00 0.00 -0.16 0.00 0.00 28.75 29.15 2qan h GLU 94 CO 0.00 0.38 -0.01 0.78 -1.18 0.00 0.00 179.01 178.99 2qan h GLY 95 N 0.59 0.00 -5.46 1.92 0.00 -0.84 -3.37 103.07 95.92 2qan h GLY 95 Ca 0.42 0.00 -0.65 0.00 0.00 0.00 0.00 47.33 47.10 2qan h GLY 95 CO -0.17 0.00 0.73 0.54 0.00 0.00 0.00 176.54 177.64 2qan n ARG 96 N -3.16 1.64 0.04 4.80 1.74 0.76 -0.71 116.66 121.76 2qan n ARG 96 Ca -0.02 0.59 -0.10 0.00 -0.77 0.00 0.00 57.85 57.55 2qan n ARG 96 Cb 0.13 -2.31 -0.04 0.00 -1.02 0.00 0.00 32.46 29.21 2qan n ARG 96 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2qan h LEU 97 N 6.07 -0.57 -1.85 0.55 5.85 0.90 0.26 115.31 126.52 2qan h LEU 97 Ca -0.47 0.09 0.25 0.00 0.84 0.00 0.00 57.88 58.59 2qan h LEU 97 Cb 1.30 0.25 -0.05 0.00 0.37 0.00 0.00 40.66 42.53 2qan h LEU 97 CO 0.87 -0.25 0.63 -2.24 -0.34 0.00 0.00 178.44 177.11 2qan h ASP 98 N -0.28 0.12 0.04 1.25 -0.00 -1.40 0.24 116.42 116.38 2qan h ASP 98 Ca 0.07 0.01 -0.08 0.00 -0.00 0.00 0.00 57.03 57.04 2qan h ASP 98 Cb 0.38 -0.01 0.01 0.00 -0.00 0.00 0.00 39.33 39.71 2qan h ASP 98 CO -0.21 0.04 -0.33 -1.13 -0.00 0.00 0.00 179.24 177.61 2qan h ASN 99 N 0.11 0.22 -0.10 4.15 -1.24 -1.33 -3.17 115.58 114.22 2qan h ASN 99 Ca 0.44 -0.91 0.04 0.00 0.71 0.00 0.00 56.30 56.59 2qan h ASN 99 Cb 1.57 -0.07 -0.05 0.00 0.73 0.00 0.00 38.32 40.50 2qan h ASN 99 CO -0.06 1.11 -0.23 0.58 -1.29 0.00 0.00 177.43 177.54 2qan h VAL 100 N -0.64 0.45 -0.50 2.57 2.07 0.19 -1.81 116.25 118.58 2qan h VAL 100 Ca -0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.57 2qan h VAL 100 Cb 1.19 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 31.32 2qan h VAL 100 CO 0.06 0.00 -0.18 0.58 0.02 0.00 0.00 177.57 178.06 2qan h VAL 101 N -0.30 0.41 0.07 2.57 2.07 -0.78 -2.18 116.25 118.10 2qan h VAL 101 Ca 0.09 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.63 2qan h VAL 101 Cb 0.43 0.41 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 2qan h VAL 101 CO -0.28 0.00 -0.46 0.22 0.02 0.00 0.00 177.57 177.08 2qan h TYR 102 N -0.06 -1.30 0.00 1.57 3.20 -1.36 -1.16 116.97 117.86 2qan h TYR 102 Ca 0.24 0.04 0.00 0.00 3.14 0.00 0.00 58.73 62.15 2qan h TYR 102 Cb 0.43 0.56 0.00 0.00 1.54 0.00 0.00 36.73 39.26 2qan h TYR 102 CO -0.47 -0.54 0.00 0.54 -1.64 0.00 0.00 178.16 176.05 2qan n ARG 103 N -5.47 0.11 -1.68 1.82 1.74 -0.74 -2.23 116.66 110.21 2qan n ARG 103 Ca -0.07 0.05 -0.26 0.00 -0.77 0.00 0.00 57.85 56.79 2qan n ARG 103 Cb 0.39 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.38 2qan n ARG 103 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 2qan n MET 104 N -1.05 3.15 0.00 5.56 2.81 -0.44 -4.71 117.12 122.43 2qan n MET 104 Ca 0.03 -3.78 0.00 0.00 -1.81 0.00 0.00 57.70 52.13 2qan n MET 104 Cb 0.02 -2.25 0.00 0.00 -0.71 0.00 0.00 33.22 30.28 2qan n MET 104 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2qan n GLY 105 N -0.82 1.10 3.56 3.03 0.00 -0.94 -4.93 105.19 106.19 2qan n GLY 105 Ca 0.50 -0.00 -0.47 0.00 0.00 0.00 0.00 46.02 46.04 2qan n GLY 105 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2qan n PHE 106 N 0.00 1.04 -1.56 1.61 3.72 -1.23 -3.38 117.46 117.65 2qan n PHE 106 Ca 0.00 0.74 0.00 0.00 -0.05 0.00 0.00 57.45 58.14 2qan n PHE 106 Cb 0.00 -2.22 0.00 0.00 -0.94 0.00 0.00 39.48 36.32 2qan n PHE 106 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2qan n GLY 107 N 1.71 -4.83 0.06 1.37 0.00 -1.26 -3.87 105.19 98.36 2qan n GLY 107 Ca 0.14 -0.43 -0.11 0.00 0.00 0.00 0.00 46.02 45.61 2qan n GLY 107 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qan h ALA 108 N 2.90 0.06 -2.72 4.61 0.00 -1.85 -3.44 119.26 118.81 2qan h ALA 108 Ca 0.00 0.00 -0.58 0.00 0.00 0.00 0.00 54.91 54.33 2qan h ALA 108 Cb 0.00 -0.01 -0.17 0.00 0.00 0.00 0.00 17.79 17.61 2qan h ALA 108 CO 0.00 -0.45 -0.78 0.95 0.00 0.00 0.00 179.25 178.97 2qan s THR 109 N -6.19 2.16 0.22 0.00 -4.23 -1.26 -4.76 115.64 101.58 2qan s THR 109 Ca -0.13 -2.12 -0.07 0.00 -1.18 0.00 0.00 61.69 58.19 2qan s THR 109 Cb 0.07 -2.08 0.17 0.00 1.34 0.00 0.00 72.50 72.00 2qan s THR 109 CO 0.67 -0.31 1.77 0.03 -0.54 0.00 0.00 174.62 176.24 2qan h ARG 110 N 2.88 0.54 -0.43 3.99 3.08 -1.85 0.21 114.38 122.80 2qan h ARG 110 Ca -0.42 -0.03 0.11 0.00 0.07 0.00 0.00 59.98 59.70 2qan h ARG 110 Cb 1.22 -0.12 -0.02 0.00 0.08 0.00 0.00 29.97 31.13 2qan h ARG 110 CO 0.54 0.36 0.30 0.00 -1.07 0.00 0.00 179.97 180.10 2qan h ALA 111 N 1.44 2.31 0.03 0.04 0.00 -1.91 0.22 119.26 121.38 2qan h ALA 111 Ca 0.35 -0.01 -0.22 0.00 0.00 0.00 0.00 54.91 55.02 2qan h ALA 111 Cb 0.39 0.01 0.02 0.00 0.00 0.00 0.00 17.79 18.21 2qan h ALA 111 CO -0.29 -0.42 -0.89 1.49 0.00 0.00 0.00 179.25 179.14 2qan h GLU 112 N 0.08 0.55 -0.78 0.00 4.81 -1.05 -3.24 114.58 114.94 2qan h GLU 112 Ca 0.20 -0.63 0.07 0.00 -0.13 0.00 0.00 59.36 58.87 2qan h GLU 112 Cb 0.71 0.19 -0.06 0.00 0.63 0.00 0.00 28.75 30.22 2qan h GLU 112 CO -0.02 1.24 0.46 0.00 -0.73 0.00 0.00 179.01 179.96 2qan h ALA 113 N 0.32 1.07 -0.75 2.92 0.00 0.47 -2.03 119.26 121.27 2qan h ALA 113 Ca -0.12 0.01 0.15 0.00 0.00 0.00 0.00 54.91 54.95 2qan h ALA 113 Cb 1.58 -0.17 -0.14 0.00 0.00 0.00 0.00 17.79 19.06 2qan h ALA 113 CO 0.17 0.15 -0.20 -0.09 0.00 0.00 0.00 179.25 179.28 2qan h ARG 114 N 0.82 -0.01 -0.63 0.00 1.12 -1.12 0.16 114.38 114.72 2qan h ARG 114 Ca 0.35 0.00 0.02 0.00 -1.11 0.00 0.00 59.98 59.24 2qan h ARG 114 Cb 0.22 0.00 -0.04 0.00 -0.01 0.00 0.00 29.97 30.15 2qan h ARG 114 CO -0.19 -0.01 0.40 0.37 -3.11 0.00 0.00 179.97 177.43 2qan h GLN 115 N -0.01 0.77 -0.87 0.20 4.15 -1.46 -0.13 115.11 117.76 2qan h GLN 115 Ca 0.36 -0.05 0.05 0.00 0.77 0.00 0.00 58.65 59.78 2qan h GLN 115 Cb 0.56 -0.17 -0.06 0.00 0.21 0.00 0.00 27.48 28.01 2qan h GLN 115 CO -0.78 0.51 0.55 -0.07 -1.93 0.00 0.00 178.83 177.10 2qan h LEU 116 N 0.79 0.88 0.66 -2.39 3.38 -0.62 0.13 115.31 118.13 2qan h LEU 116 Ca 0.24 0.01 -0.03 0.00 0.09 0.00 0.00 57.88 58.19 2qan h LEU 116 Cb -0.02 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.56 2qan h LEU 116 CO -0.09 0.58 -0.32 0.58 0.09 0.00 0.00 178.44 179.29 2qan h VAL 117 N 1.02 0.00 -0.53 1.22 2.07 -0.41 0.10 116.25 119.72 2qan h VAL 117 Ca 0.37 -0.21 0.15 0.00 0.82 0.00 0.00 66.70 67.83 2qan h VAL 117 Cb 0.11 0.00 -0.02 0.00 -1.52 0.00 0.00 31.29 29.86 2qan h VAL 117 CO -0.15 0.00 0.40 -1.28 0.02 0.00 0.00 177.57 176.56 2qan h SER 118 N -1.09 0.00 -0.72 0.57 0.87 -0.89 -2.26 113.55 110.03 2qan h SER 118 Ca -0.09 0.00 -0.42 0.00 -1.23 0.00 0.00 61.79 60.05 2qan h SER 118 Cb 0.68 0.00 -0.22 0.00 -0.44 0.00 0.00 62.40 62.42 2qan h SER 118 CO 0.15 0.00 0.54 1.41 -0.53 0.00 0.00 176.83 178.40 2qan n HIS 119 N -4.30 2.26 -2.92 2.24 -0.00 0.43 -4.86 115.22 108.07 2qan n HIS 119 Ca 0.10 -1.90 -0.15 0.00 -0.00 0.00 0.00 57.72 55.77 2qan n HIS 119 Cb 0.62 -0.94 -0.01 0.00 -0.00 0.00 0.00 29.99 29.66 2qan n HIS 119 CO 0.00 0.00 0.00 1.63 -0.00 0.00 0.00 176.34 177.97 2qan n LYS 120 N -0.49 -2.72 0.00 -0.41 4.01 -0.85 -4.81 118.16 112.90 2qan n LYS 120 Ca 0.44 0.35 0.12 0.00 -0.51 0.00 0.00 58.31 58.71 2qan n LYS 120 Cb 1.03 -4.96 0.17 0.00 -0.51 0.00 0.00 35.03 30.76 2qan n LYS 120 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qan n ALA 121 N -2.87 3.67 -2.46 7.82 0.00 0.35 -4.80 120.51 122.23 2qan n ALA 121 Ca -0.04 -0.46 -0.26 0.00 0.00 0.00 0.00 53.44 52.68 2qan n ALA 121 Cb 0.54 -1.00 -0.11 0.00 0.00 0.00 0.00 19.45 18.88 2qan n ALA 121 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2qan s ILE 122 N -2.78 2.49 -0.13 0.00 -1.09 -1.21 -1.15 121.20 117.33 2qan s ILE 122 Ca 0.15 -2.10 -0.05 0.00 -2.23 0.00 0.00 60.65 56.42 2qan s ILE 122 Cb 0.18 -2.23 0.06 0.00 -1.58 0.00 0.00 42.46 38.89 2qan s ILE 122 CO 0.66 -0.20 0.29 -0.32 -1.23 0.00 0.00 174.94 174.14 2qan s MET 123 N -2.94 0.20 -0.30 2.79 -2.45 -0.85 -2.42 119.30 113.34 2qan s MET 123 Ca 0.24 0.72 -0.10 0.00 -1.25 0.00 0.00 55.69 55.30 2qan s MET 123 Cb -0.07 -0.02 -0.02 0.00 1.25 0.00 0.00 34.83 35.96 2qan s MET 123 CO 0.12 -0.24 0.16 0.08 1.05 0.00 0.00 175.02 176.19 2qan s VAL 124 N 2.02 4.80 -0.91 10.11 1.01 0.34 -2.06 120.40 135.71 2qan s VAL 124 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 61.98 61.68 2qan s VAL 124 Cb -0.11 -3.37 -0.02 0.00 0.00 0.00 0.00 36.38 32.87 2qan s VAL 124 CO -0.09 0.15 0.77 0.59 0.00 0.00 0.00 175.10 176.52 2qan n ASN 125 N 5.01 -6.65 -2.21 3.32 4.13 -0.77 -2.36 115.26 115.73 2qan n ASN 125 Ca -0.14 -0.54 -0.14 0.00 1.68 0.00 0.00 54.58 55.44 2qan n ASN 125 Cb 0.50 -4.46 -0.02 0.00 -1.54 0.00 0.00 39.78 34.27 2qan n ASN 125 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2qan n GLY 126 N -1.60 -0.11 2.79 7.41 0.00 -1.26 -4.94 105.19 107.49 2qan n GLY 126 Ca -0.08 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.80 2qan n GLY 126 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2qan s ARG 127 N -4.63 -0.02 0.24 1.61 3.00 -0.99 -5.14 118.95 113.02 2qan s ARG 127 Ca 0.00 0.22 -0.30 0.00 0.00 0.00 0.00 55.73 55.66 2qan s ARG 127 Cb 0.00 -0.24 -0.09 0.00 0.00 0.00 0.00 34.95 34.62 2qan s ARG 127 CO 0.00 -0.17 1.07 0.54 0.00 0.00 0.00 175.30 176.74 2qan s VAL 128 N 1.11 3.69 -0.01 3.52 0.11 -1.26 0.13 120.40 127.68 2qan s VAL 128 Ca -0.09 1.62 -0.01 0.00 -2.93 0.00 0.00 61.98 60.57 2qan s VAL 128 Cb -0.13 -4.03 0.00 0.00 -1.53 0.00 0.00 36.38 30.69 2qan s VAL 128 CO -0.03 0.36 0.03 -0.69 -3.33 0.00 0.00 175.10 171.43 2qan s VAL 129 N -0.89 0.01 -0.08 2.04 1.01 -1.02 -4.85 120.40 116.62 2qan s VAL 129 Ca 0.45 -0.10 0.17 0.00 0.00 0.00 0.00 61.98 62.51 2qan s VAL 129 Cb -0.30 -0.08 0.36 0.00 0.00 0.00 0.00 36.38 36.36 2qan s VAL 129 CO 0.38 -0.05 1.16 -0.46 0.00 0.00 0.00 175.10 176.13 2qan n ASN 130 N 2.90 1.20 -4.15 3.32 6.94 -1.24 -4.39 115.26 119.84 2qan n ASN 130 Ca -0.13 -2.68 -0.38 0.00 -0.02 0.00 0.00 54.58 51.36 2qan n ASN 130 Cb 0.59 -0.37 -0.09 0.00 -2.36 0.00 0.00 39.78 37.55 2qan n ASN 130 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2qan s ILE 131 N -1.24 3.94 0.33 1.53 1.01 -1.26 -3.84 121.20 121.67 2qan s ILE 131 Ca 0.31 -2.49 0.11 0.00 0.00 0.00 0.00 60.65 58.57 2qan s ILE 131 Cb 0.32 -3.58 0.35 0.00 0.01 0.00 0.00 42.46 39.57 2qan s ILE 131 CO -0.10 -0.84 1.61 0.00 0.00 0.00 0.00 174.94 175.61 2qan h ALA 132 N 7.60 1.69 0.00 9.38 0.00 -1.92 0.98 119.26 137.00 2qan h ALA 132 Ca -0.06 0.26 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qan h ALA 132 Cb 1.00 0.35 0.00 0.00 0.00 0.00 0.00 17.79 19.14 2qan h ALA 132 CO 0.74 -0.67 0.00 -1.13 0.00 0.00 0.00 179.25 178.19 2qan n SER 133 N -5.26 0.69 -4.71 0.00 3.41 -1.26 -1.14 113.62 105.36 2qan n SER 133 Ca 0.29 -1.96 -0.42 0.00 -0.26 0.00 0.00 58.87 56.53 2qan n SER 133 Cb 0.96 -0.35 -0.03 0.00 -0.26 0.00 0.00 64.21 64.54 2qan n SER 133 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 2qan s TYR 134 N -1.29 3.05 -0.22 7.33 5.04 0.34 -4.72 117.35 126.87 2qan s TYR 134 Ca 0.00 0.73 -0.25 0.00 -2.44 0.00 0.00 57.07 55.11 2qan s TYR 134 Cb 0.00 -3.81 -0.01 0.00 0.35 0.00 0.00 41.96 38.49 2qan s TYR 134 CO 0.00 -2.99 0.85 -1.14 -1.34 0.00 0.00 175.55 170.93 2qan s GLN 135 N 1.39 4.22 -0.35 4.97 2.00 -1.26 0.93 119.66 131.56 2qan s GLN 135 Ca 0.68 1.00 -0.17 0.00 -2.00 0.00 0.00 55.36 54.87 2qan s GLN 135 Cb -0.40 -3.63 -0.00 0.00 0.80 0.00 0.00 33.01 29.78 2qan s GLN 135 CO 0.31 -0.48 0.47 0.08 -0.50 0.00 0.00 175.29 175.17 2qan s VAL 136 N 2.70 5.06 0.81 1.34 1.01 0.11 -4.94 120.40 126.48 2qan s VAL 136 Ca 0.37 0.25 -0.10 0.00 0.00 0.00 0.00 61.98 62.49 2qan s VAL 136 Cb -0.16 -3.93 0.10 0.00 0.00 0.00 0.00 36.38 32.40 2qan s VAL 136 CO 0.08 -0.19 1.15 -0.94 0.00 0.00 0.00 175.10 175.20 2qan s SER 137 N 1.75 4.27 0.97 3.32 1.04 -1.26 -4.82 113.70 118.97 2qan s SER 137 Ca 0.17 0.49 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 2qan s SER 137 Cb -0.16 -0.92 0.17 0.00 0.10 0.00 0.00 66.02 65.22 2qan s SER 137 CO 0.13 -2.00 1.08 -2.16 0.98 0.00 0.00 173.24 171.28 2qan s PRO 138 N -5.52 0.65 0.00 4.02 0.04 -1.26 -3.29 135.00 129.64 2qan s PRO 138 Ca 0.64 0.86 0.00 0.00 0.04 0.00 0.00 61.00 62.54 2qan s PRO 138 Cb -0.09 -1.74 0.00 0.00 0.04 0.00 0.00 34.50 32.72 2qan s PRO 138 CO 0.48 -2.67 0.00 0.09 0.04 0.00 0.00 177.00 174.95 2qan n ASN 139 N -4.18 0.00 -4.70 6.66 3.02 0.17 -4.94 115.26 111.29 2qan n ASN 139 Ca 0.06 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.21 2qan n ASN 139 Cb 0.55 -0.29 0.02 0.00 -0.61 0.00 0.00 39.78 39.45 2qan n ASN 139 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 2qan n ASP 140 N 0.00 2.49 -4.35 6.41 8.00 -1.21 -4.41 116.55 123.48 2qan n ASP 140 Ca 0.00 1.08 -0.38 0.00 0.71 0.00 0.00 54.79 56.20 2qan n ASP 140 Cb 0.00 -1.50 -0.12 0.00 -0.02 0.00 0.00 41.12 39.47 2qan n ASP 140 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2qan s VAL 141 N -1.22 4.07 -0.44 2.53 -7.23 -1.26 0.17 120.40 117.01 2qan s VAL 141 Ca 0.63 -0.73 -0.20 0.00 -1.81 0.00 0.00 61.98 59.87 2qan s VAL 141 Cb -0.49 -3.13 0.03 0.00 0.56 0.00 0.00 36.38 33.34 2qan s VAL 141 CO 0.57 0.02 0.63 -0.69 -0.31 0.00 0.00 175.10 175.32 2qan s VAL 142 N 1.51 4.85 0.43 1.32 1.01 0.53 -1.84 120.40 128.19 2qan s VAL 142 Ca 0.02 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.08 2qan s VAL 142 Cb -0.18 -4.20 -0.05 0.00 0.00 0.00 0.00 36.38 31.96 2qan s VAL 142 CO 0.03 -0.60 0.03 -0.94 0.00 0.00 0.00 175.10 173.62 2qan s SER 143 N 2.04 3.54 0.03 3.32 1.04 -0.87 -1.35 113.70 121.44 2qan s SER 143 Ca 0.21 -1.51 0.06 0.00 0.48 0.00 0.00 55.95 55.19 2qan s SER 143 Cb -0.15 0.11 -0.03 0.00 0.10 0.00 0.00 66.02 66.05 2qan s SER 143 CO 0.18 -0.69 -0.17 -0.63 0.98 0.00 0.00 173.24 172.92 2qan s ILE 144 N -2.94 2.90 0.03 -1.02 1.01 -1.16 -2.00 121.20 118.02 2qan s ILE 144 Ca 0.24 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 2qan s ILE 144 Cb 0.06 -2.21 -0.07 0.00 0.01 0.00 0.00 42.46 40.24 2qan s ILE 144 CO 0.12 0.37 1.65 -0.13 0.00 0.00 0.00 174.94 176.95 2qan s ARG 145 N -1.35 4.20 0.30 2.79 1.81 -0.30 -4.73 118.95 121.67 2qan s ARG 145 Ca 0.15 2.28 0.06 0.00 -1.72 0.00 0.00 55.73 56.50 2qan s ARG 145 Cb -0.11 -3.71 0.78 0.00 -0.45 0.00 0.00 34.95 31.46 2qan s ARG 145 CO 0.05 -0.76 1.71 1.05 -0.68 0.00 0.00 175.30 176.68 2qan h GLU 146 N 8.67 0.47 0.00 3.54 -0.00 -1.97 1.15 114.58 126.45 2qan h GLU 146 Ca -0.42 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 58.91 2qan h GLU 146 Cb 1.20 -0.11 0.00 0.00 -0.00 0.00 0.00 28.75 29.84 2qan h GLU 146 CO 0.93 0.31 0.00 0.36 -0.00 0.00 0.00 179.01 180.62 2qan n LYS 147 N -4.97 0.28 0.00 1.06 -0.00 -1.26 -1.46 118.16 111.82 2qan n LYS 147 Ca 0.24 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.55 2qan n LYS 147 Cb 0.68 -1.42 0.00 0.00 -0.00 0.00 0.00 35.03 34.28 2qan n LYS 147 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qan n ALA 148 N -0.92 0.40 0.21 0.58 0.00 0.34 -4.78 120.51 116.33 2qan n ALA 148 Ca 0.06 -0.02 0.10 0.00 0.00 0.00 0.00 53.44 53.58 2qan n ALA 148 Cb 0.03 0.00 0.17 0.00 0.00 0.00 0.00 19.45 19.65 2qan n ALA 148 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.50 179.07 2qan h LYS 149 N 0.00 0.00 -0.47 0.00 2.10 0.14 -2.81 116.57 115.52 2qan h LYS 149 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2qan h LYS 149 Cb 0.09 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.42 2qan h LYS 149 CO 0.00 0.11 0.00 1.17 -2.00 0.00 0.00 179.45 178.73 2qan n LYS 150 N -3.13 2.27 -0.69 0.07 3.00 -1.20 -4.77 118.16 113.71 2qan n LYS 150 Ca 0.03 -1.96 -0.29 0.00 -0.00 0.00 0.00 58.31 56.09 2qan n LYS 150 Cb 0.56 -1.45 0.25 0.00 0.00 0.00 0.00 35.03 34.39 2qan n LYS 150 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.40 176.26 2qan s GLN 151 N -1.37 -1.15 -0.13 1.64 0.74 -1.06 -5.00 119.66 113.33 2qan s GLN 151 Ca 0.37 0.52 -0.12 0.00 0.05 0.00 0.00 55.36 56.18 2qan s GLN 151 Cb 0.20 -1.55 -0.10 0.00 1.10 0.00 0.00 33.01 32.66 2qan s GLN 151 CO 0.27 -3.79 0.20 1.03 -0.55 0.00 0.00 175.29 172.45 2qan h SER 152 N -2.66 0.00 -0.82 6.67 0.87 -1.92 -3.39 113.55 112.31 2qan h SER 152 Ca -0.56 -0.33 0.20 0.00 -1.23 0.00 0.00 61.79 59.86 2qan h SER 152 Cb 1.33 0.00 -0.14 0.00 -0.44 0.00 0.00 62.40 63.16 2qan h SER 152 CO 0.47 0.80 0.09 0.08 -0.53 0.00 0.00 176.83 177.75 2qan h ARG 153 N -1.00 0.14 0.00 2.24 0.11 -1.95 -2.91 114.38 111.01 2qan h ARG 153 Ca -0.04 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.03 2qan h ARG 153 Cb 0.53 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 31.57 2qan h ARG 153 CO -0.03 0.09 0.00 1.33 0.10 0.00 0.00 179.97 181.47 2qan n VAL 154 N -5.30 0.00 -0.14 0.08 0.24 -1.26 -0.89 118.33 111.05 2qan n VAL 154 Ca 0.17 1.46 -0.04 0.00 -2.04 0.00 0.00 64.34 63.89 2qan n VAL 154 Cb 0.56 -2.10 0.03 0.00 -1.47 0.00 0.00 33.84 30.86 2qan n VAL 154 CO 0.00 0.00 0.00 0.07 -2.14 0.00 0.00 176.83 174.76 2qan h LYS 155 N 0.00 -0.03 -0.95 7.34 2.10 -1.73 0.16 116.57 123.46 2qan h LYS 155 Ca 0.00 0.00 0.25 0.00 -2.00 0.00 0.00 60.65 58.90 2qan h LYS 155 Cb 0.00 0.01 -0.06 0.00 -0.90 0.00 0.00 32.23 31.27 2qan h LYS 155 CO 0.00 -0.02 0.65 0.00 -2.00 0.00 0.00 179.45 178.08 2qan h ALA 156 N 1.40 2.48 -0.02 0.07 0.00 -1.28 0.63 119.26 122.54 2qan h ALA 156 Ca 0.22 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qan h ALA 156 Cb 0.37 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 2qan h ALA 156 CO -0.49 -0.79 -0.00 0.00 0.00 0.00 0.00 179.25 177.97 2qan h ALA 157 N 1.58 0.02 0.00 0.00 0.00 0.13 -2.62 119.26 118.37 2qan h ALA 157 Ca 0.49 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2qan h ALA 157 Cb 1.49 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.28 2qan h ALA 157 CO -0.14 -0.30 0.00 1.28 0.00 0.00 0.00 179.25 180.09 2qan n LEU 158 N -4.90 0.00 -0.14 0.00 4.32 0.01 -2.94 117.00 113.34 2qan n LEU 158 Ca -0.08 0.34 -0.03 0.00 -0.02 0.00 0.00 56.01 56.22 2qan n LEU 158 Cb 0.19 -0.34 0.18 0.00 -1.62 0.00 0.00 43.42 41.84 2qan n LEU 158 CO 0.34 -0.14 0.98 -0.08 -1.22 0.00 0.00 177.39 177.27 2qan h GLU 159 N 0.00 0.85 -0.09 3.23 4.81 -0.60 -3.03 114.58 119.76 2qan h GLU 159 Ca 0.00 -0.17 0.00 0.00 -0.13 0.00 0.00 59.36 59.06 2qan h GLU 159 Cb 0.19 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 29.44 2qan h GLU 159 CO 0.00 0.76 0.00 1.47 -0.73 0.00 0.00 179.01 180.51 2qan n LEU 160 N -4.28 2.08 0.25 1.64 -0.00 -1.16 -4.53 117.00 111.01 2qan n LEU 160 Ca 0.04 -1.27 -0.15 0.00 -0.00 0.00 0.00 56.01 54.63 2qan n LEU 160 Cb 0.22 -0.06 -0.08 0.00 -0.00 0.00 0.00 43.42 43.51 2qan n LEU 160 CO 0.40 0.45 0.58 0.00 -0.00 0.00 0.00 177.39 178.82 2qan h ALA 161 N 1.86 -0.63 0.00 1.47 0.00 -1.41 0.30 119.26 120.86 2qan h ALA 161 Ca 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 2qan h ALA 161 Cb 0.49 0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.52 2qan h ALA 161 CO 0.00 -0.75 -0.06 1.05 0.00 0.00 0.00 179.25 179.49 2qan h GLU 162 N -0.82 0.00 -0.23 0.00 9.09 -1.82 0.97 114.58 121.77 2qan h GLU 162 Ca -0.06 0.00 -0.15 0.00 0.05 0.00 0.00 59.36 59.19 2qan h GLU 162 Cb 0.56 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.66 2qan h GLU 162 CO 0.10 0.06 -0.49 1.96 0.05 0.00 0.00 179.01 180.69 2qan h GLN 163 N 0.00 0.61 0.00 1.06 4.20 -1.65 -3.44 115.11 115.88 2qan h GLN 163 Ca -0.00 -0.35 0.00 0.00 0.06 0.00 0.00 58.65 58.36 2qan h GLN 163 Cb 0.13 0.03 0.00 0.00 0.30 0.00 0.00 27.48 27.94 2qan h GLN 163 CO 0.01 0.96 0.00 -2.13 -0.67 0.00 0.00 178.83 177.00 2qan n ARG 164 N -3.99 0.18 0.00 1.46 3.00 0.10 -5.08 116.66 112.33 2qan n ARG 164 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.82 2qan n ARG 164 Cb 0.57 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.03 2qan n ARG 164 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2qan n GLU 165 N -0.79 2.15 -3.67 -0.14 4.07 -1.26 -4.95 120.64 116.05 2qan n GLU 165 Ca 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 57.16 57.00 2qan n GLU 165 Cb 0.00 0.00 -0.09 0.00 -0.06 0.00 0.00 31.44 31.29 2qan n GLU 165 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 2qan s LYS 166 N 0.00 0.59 -1.03 5.31 1.02 -1.26 -4.75 119.74 119.62 2qan s LYS 166 Ca 0.00 0.98 -0.23 0.00 0.02 0.00 0.00 55.97 56.74 2qan s LYS 166 Cb 0.00 0.12 0.04 0.00 -0.52 0.00 0.00 37.83 37.47 2qan s LYS 166 CO 0.00 -0.14 1.53 -1.25 -0.92 0.00 0.00 175.35 174.57 2qan s PRO 167 N 1.25 3.48 -0.16 -1.68 0.04 -1.26 -4.88 135.00 131.79 2qan s PRO 167 Ca -0.08 -1.08 -0.03 0.00 0.04 0.00 0.00 61.00 59.85 2qan s PRO 167 Cb -0.06 -5.34 -0.10 0.00 0.04 0.00 0.00 34.50 29.04 2qan s PRO 167 CO -0.13 -2.37 1.91 0.25 0.04 0.00 0.00 177.00 176.71 2qan n THR 168 N 6.98 1.49 -1.37 1.26 -2.24 -1.26 -2.48 114.28 116.66 2qan n THR 168 Ca 0.35 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 2qan n THR 168 Cb 0.50 -1.79 0.00 0.00 -2.10 0.00 0.00 70.33 66.95 2qan n THR 168 CO 0.00 0.00 0.00 -2.67 -0.57 0.00 0.00 175.07 171.83 2qan n TRP 169 N 3.12 0.00 -3.63 4.78 2.14 -1.26 -5.01 117.44 117.57 2qan n TRP 169 Ca 0.23 0.00 -0.11 0.00 2.07 0.00 0.00 57.50 59.69 2qan n TRP 169 Cb 0.35 0.17 -0.07 0.00 -0.81 0.00 0.00 31.31 30.95 2qan n TRP 169 CO 0.00 0.00 0.00 -0.48 2.07 0.00 0.00 177.69 179.28 2qan s LEU 170 N 0.00 -0.77 0.34 5.67 0.05 -1.03 -2.01 118.68 120.92 2qan s LEU 170 Ca 0.00 1.39 -0.14 0.00 0.05 0.00 0.00 54.13 55.43 2qan s LEU 170 Cb 0.00 2.36 -0.08 0.00 -2.05 0.00 0.00 46.19 46.42 2qan s LEU 170 CO 0.00 -0.23 0.73 -1.61 -0.55 0.00 0.00 176.35 174.69 2qan s GLU 171 N 0.76 3.95 -0.28 1.48 2.02 0.15 -4.86 118.70 121.92 2qan s GLU 171 Ca -0.03 0.61 0.02 0.00 0.02 0.00 0.00 54.97 55.59 2qan s GLU 171 Cb -0.05 -2.43 0.17 0.00 0.10 0.00 0.00 34.13 31.92 2qan s GLU 171 CO -0.06 0.12 0.46 0.54 0.02 0.00 0.00 175.26 176.34 2qan s VAL 172 N -2.06 -0.74 -0.90 2.63 0.11 -1.26 0.12 120.40 118.30 2qan s VAL 172 Ca 0.53 -0.17 -0.21 0.00 -2.93 0.00 0.00 61.98 59.21 2qan s VAL 172 Cb -0.10 -0.96 0.10 0.00 -1.53 0.00 0.00 36.38 33.88 2qan s VAL 172 CO 0.20 -0.17 1.18 -0.62 -3.33 0.00 0.00 175.10 172.36 2qan s ASP 173 N 2.63 6.52 0.65 3.54 -1.08 -1.25 -4.85 116.67 122.84 2qan s ASP 173 Ca 0.11 -1.70 0.30 0.00 -0.52 0.00 0.00 52.55 50.74 2qan s ASP 173 Cb -0.13 -2.45 1.62 0.00 -1.46 0.00 0.00 42.92 40.50 2qan s ASP 173 CO -0.26 -1.25 1.93 0.00 0.52 0.00 0.00 175.17 176.11 2qan h ALA 174 N 9.20 1.46 0.26 3.66 0.00 -1.95 -1.33 119.26 130.56 2qan h ALA 174 Ca 0.09 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 2qan h ALA 174 Cb 1.03 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2qan h ALA 174 CO 1.20 -0.38 -0.32 0.78 0.00 0.00 0.00 179.25 180.52 2qan h GLY 175 N 0.00 -1.09 -2.74 0.00 0.00 -1.96 -3.17 103.07 94.10 2qan h GLY 175 Ca 0.03 0.51 -0.21 0.00 0.00 0.00 0.00 47.33 47.66 2qan h GLY 175 CO -0.00 -0.34 0.16 0.28 0.00 0.00 0.00 176.54 176.65 2qan n LYS 176 N -4.32 2.67 -3.41 4.80 4.01 -1.09 -4.95 118.16 115.87 2qan n LYS 176 Ca -0.07 -3.06 -0.19 0.00 -0.51 0.00 0.00 58.31 54.48 2qan n LYS 176 Cb 0.28 -2.00 0.07 0.00 -0.51 0.00 0.00 35.03 32.87 2qan n LYS 176 CO 0.00 0.00 0.00 -1.33 -1.11 0.00 0.00 177.40 174.96 2qan n MET 177 N -0.73 -3.33 -2.42 1.97 2.81 -0.94 -4.79 117.12 109.70 2qan n MET 177 Ca 0.38 0.77 -0.14 0.00 -1.81 0.00 0.00 57.70 56.90 2qan n MET 177 Cb 1.22 -5.49 0.04 0.00 -0.71 0.00 0.00 33.22 28.28 2qan n MET 177 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 2qan n GLU 178 N -3.70 0.76 0.00 0.03 -0.58 -0.54 -3.01 120.64 113.60 2qan n GLU 178 Ca -0.15 -2.11 0.00 0.00 -0.42 0.00 0.00 57.16 54.48 2qan n GLU 178 Cb 0.63 -0.11 0.00 0.00 -0.57 0.00 0.00 31.44 31.40 2qan n GLU 178 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2qan n GLY 179 N 0.32 -1.51 3.78 0.62 0.00 -0.45 -3.74 105.19 104.21 2qan n GLY 179 Ca 0.09 0.94 -0.37 0.00 0.00 0.00 0.00 46.02 46.68 2qan n GLY 179 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2qan s THR 180 N 0.00 4.22 -1.10 2.61 2.01 0.33 0.20 115.64 123.91 2qan s THR 180 Ca 0.00 1.80 -0.07 0.00 0.31 0.00 0.00 61.69 63.73 2qan s THR 180 Cb 0.00 -4.00 0.29 0.00 0.01 0.00 0.00 72.50 68.80 2qan s THR 180 CO 0.00 0.13 1.26 0.33 -0.69 0.00 0.00 174.62 175.66 2qan n PHE 181 N 0.54 4.08 -0.18 4.92 7.35 0.13 -0.67 117.46 133.62 2qan n PHE 181 Ca 0.02 -3.39 -0.05 0.00 -0.76 0.00 0.00 57.45 53.28 2qan n PHE 181 Cb 0.50 -1.52 -0.04 0.00 0.35 0.00 0.00 39.48 38.76 2qan n PHE 181 CO 0.00 0.00 0.00 1.63 -0.76 0.00 0.00 176.76 177.63 2qan n LYS 182 N 2.13 -0.19 -3.73 -4.13 5.02 -1.14 0.44 118.16 116.56 2qan n LYS 182 Ca 0.25 1.17 -0.03 0.00 -2.02 0.00 0.00 58.31 57.68 2qan n LYS 182 Cb 0.37 -1.73 -0.01 0.00 -0.02 0.00 0.00 35.03 33.64 2qan n LYS 182 CO 0.00 0.00 0.00 -0.98 -0.52 0.00 0.00 177.40 175.90 2qan s ARG 183 N -4.12 1.06 0.33 1.97 1.04 -0.85 -4.09 118.95 114.29 2qan s ARG 183 Ca -0.05 -0.58 -0.29 0.00 -1.04 0.00 0.00 55.73 53.77 2qan s ARG 183 Cb 0.05 0.36 -0.12 0.00 -2.04 0.00 0.00 34.95 33.20 2qan s ARG 183 CO 0.26 -0.48 1.36 1.63 -0.04 0.00 0.00 175.30 178.03 2qan n LYS 184 N -0.47 2.24 -2.25 3.89 4.76 -1.26 -4.75 118.16 120.31 2qan n LYS 184 Ca -0.06 0.79 -0.43 0.00 -2.87 0.00 0.00 58.31 55.73 2qan n LYS 184 Cb 0.61 -2.42 -0.02 0.00 -1.84 0.00 0.00 35.03 31.36 2qan n LYS 184 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2qan s PRO 185 N -1.59 3.53 0.84 1.97 0.04 -1.26 -4.98 135.00 133.55 2qan s PRO 185 Ca 0.58 1.09 -0.13 0.00 0.04 0.00 0.00 61.00 62.57 2qan s PRO 185 Cb -0.56 -4.07 0.06 0.00 0.04 0.00 0.00 34.50 29.97 2qan s PRO 185 CO 0.60 -1.62 0.87 -1.91 0.04 0.00 0.00 177.00 174.97 2qan n GLU 186 N 8.14 0.00 0.21 4.56 0.00 -1.26 -4.65 120.64 127.64 2qan n GLU 186 Ca 0.18 0.07 0.17 0.00 0.00 0.00 0.00 57.16 57.58 2qan n GLU 186 Cb 0.48 -2.17 0.70 0.00 0.00 0.00 0.00 31.44 30.45 2qan n GLU 186 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 2qan h ARG 187 N -1.09 0.00 0.00 5.31 9.65 -1.95 -1.94 114.38 124.35 2qan h ARG 187 Ca -0.45 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.43 2qan h ARG 187 Cb 1.30 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.88 2qan h ARG 187 CO 0.42 0.00 0.00 0.43 2.80 0.00 0.00 179.97 183.62 2qan n SER 188 N -3.18 0.00 0.00 -3.80 7.64 -1.26 -1.23 113.62 111.79 2qan n SER 188 Ca 0.03 0.48 0.00 0.00 1.01 0.00 0.00 58.87 60.39 2qan n SER 188 Cb 0.59 -0.36 0.00 0.00 -1.01 0.00 0.00 64.21 63.43 2qan n SER 188 CO 0.00 0.00 0.00 -0.90 -3.01 0.00 0.00 175.04 171.13 2qan n ASP 189 N -1.57 0.00 -0.00 6.43 5.68 -1.12 0.05 116.55 126.03 2qan n ASP 189 Ca 0.00 0.43 0.05 0.00 -0.50 0.00 0.00 54.79 54.77 2qan n ASP 189 Cb 0.00 -0.43 -0.07 0.00 -1.14 0.00 0.00 41.12 39.49 2qan n ASP 189 CO 0.00 0.00 0.00 -0.11 -1.33 0.00 0.00 177.20 175.76 2qan n LEU 190 N -1.42 0.51 0.00 -2.12 0.00 -0.74 -4.91 117.00 108.32 2qan n LEU 190 Ca 0.00 -0.48 -0.20 0.00 0.00 0.00 0.00 56.01 55.33 2qan n LEU 190 Cb 0.03 0.00 0.20 0.00 0.00 0.00 0.00 43.42 43.65 2qan n LEU 190 CO 0.00 0.13 0.23 -1.54 0.00 0.00 0.00 177.39 176.21 2qan n SER 191 N -1.30 -3.40 0.00 1.96 3.41 0.11 -5.03 113.62 109.37 2qan n SER 191 Ca 0.02 -0.58 0.00 0.00 -0.26 0.00 0.00 58.87 58.05 2qan n SER 191 Cb 0.18 -0.74 0.00 0.00 -0.26 0.00 0.00 64.21 63.40 2qan n SER 191 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qan n ALA 192 N -4.79 0.00 0.72 7.33 0.00 -1.26 -4.92 120.51 117.58 2qan n ALA 192 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.31 2qan n ALA 192 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 2qan n ALA 192 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2qan n ASP 193 N 2.15 2.95 -4.15 0.00 8.00 -1.26 -4.66 116.55 119.57 2qan n ASP 193 Ca 0.00 -1.84 -0.35 0.00 0.71 0.00 0.00 54.79 53.31 2qan n ASP 193 Cb 0.00 -0.52 -0.13 0.00 -0.02 0.00 0.00 41.12 40.45 2qan n ASP 193 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 2qan s ILE 194 N 0.12 3.04 -0.50 0.53 2.07 -1.26 -5.06 121.20 120.14 2qan s ILE 194 Ca 0.00 -1.63 -0.16 0.00 -1.41 0.00 0.00 60.65 57.44 2qan s ILE 194 Cb 0.00 -2.88 0.09 0.00 0.13 0.00 0.00 42.46 39.81 2qan s ILE 194 CO 0.00 -0.31 0.46 0.54 -1.91 0.00 0.00 174.94 173.72 2qan s ASN 195 N 1.39 6.17 0.11 4.50 2.20 -1.26 -4.97 114.94 123.08 2qan s ASN 195 Ca -0.00 -1.46 -0.21 0.00 -0.94 0.00 0.00 52.86 50.25 2qan s ASN 195 Cb -0.21 -2.21 -0.09 0.00 -2.00 0.00 0.00 41.25 36.75 2qan s ASN 195 CO -0.02 -0.76 1.75 1.05 -2.94 0.00 0.00 177.10 176.19 2qan h GLU 196 N 8.84 0.14 -0.99 3.55 9.09 -1.97 -3.10 114.58 130.14 2qan h GLU 196 Ca -0.29 -0.01 0.40 0.00 0.05 0.00 0.00 59.36 59.51 2qan h GLU 196 Cb 1.10 -0.03 -0.16 0.00 -1.65 0.00 0.00 28.75 28.02 2qan h GLU 196 CO 0.95 0.09 0.56 -2.39 0.05 0.00 0.00 179.01 178.27 2qan n HIS 197 N -5.03 0.99 -0.31 2.06 1.44 -1.26 0.16 115.22 113.27 2qan n HIS 197 Ca -0.04 1.00 0.17 0.00 -2.01 0.00 0.00 57.72 56.84 2qan n HIS 197 Cb 0.04 -1.41 0.43 0.00 0.12 0.00 0.00 29.99 29.18 2qan n HIS 197 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2qan h LEU 198 N 0.00 0.57 0.15 2.39 6.46 -1.96 -1.27 115.31 121.65 2qan h LEU 198 Ca 0.79 0.07 -0.36 0.00 -0.12 0.00 0.00 57.88 58.27 2qan h LEU 198 Cb 2.18 -0.03 -0.01 0.00 -0.73 0.00 0.00 40.66 42.08 2qan h LEU 198 CO -0.65 0.19 -1.87 0.16 -0.62 0.00 0.00 178.44 175.65 2qan h ILE 199 N 0.55 0.77 -0.10 4.05 3.07 0.13 -3.20 117.51 122.78 2qan h ILE 199 Ca 0.55 -2.41 0.03 0.00 1.55 0.00 0.00 64.86 64.57 2qan h ILE 199 Cb 1.14 2.62 -0.00 0.00 -0.27 0.00 0.00 36.82 40.31 2qan h ILE 199 CO -0.29 0.88 0.20 -0.37 -1.05 0.00 0.00 178.15 177.52 2qan h VAL 200 N 0.07 0.22 0.21 0.16 -1.51 -0.75 0.18 116.25 114.83 2qan h VAL 200 Ca -0.39 0.00 -0.35 0.00 -1.23 0.00 0.00 66.70 64.74 2qan h VAL 200 Cb 2.05 0.82 0.02 0.00 -2.13 0.00 0.00 31.29 32.05 2qan h VAL 200 CO 0.12 0.00 -1.65 -0.33 -1.23 0.00 0.00 177.57 174.49 2qan h GLU 201 N 0.00 0.45 -0.03 5.19 5.08 -1.36 -3.27 114.58 120.64 2qan h GLU 201 Ca 0.05 -0.77 0.01 0.00 -1.00 0.00 0.00 59.36 57.65 2qan h GLU 201 Cb 0.45 0.29 -0.00 0.00 0.50 0.00 0.00 28.75 29.99 2qan h GLU 201 CO -0.00 1.37 0.06 1.25 -1.00 0.00 0.00 179.01 180.69 2qan h LEU 202 N 0.11 0.00 -2.51 1.33 5.85 -0.67 0.11 115.31 119.54 2qan h LEU 202 Ca -0.31 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.39 2qan h LEU 202 Cb 2.12 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 43.14 2qan h LEU 202 CO 0.21 0.00 0.03 -1.22 -0.34 0.00 0.00 178.44 177.12 2qan n TYR 203 N -3.42 1.23 -1.73 1.25 0.53 -0.82 -3.52 117.16 110.69 2qan n TYR 203 Ca -0.02 -0.47 0.00 0.00 -1.02 0.00 0.00 57.90 56.38 2qan n TYR 203 Cb 0.14 -0.36 0.00 0.00 -1.03 0.00 0.00 39.34 38.09 2qan n TYR 203 CO 0.00 0.00 0.00 0.43 -1.02 0.00 0.00 176.86 176.27 2qan n SER 204 N 0.30 0.00 0.00 7.72 7.64 0.38 -5.08 113.62 124.58 2qan n SER 204 Ca 0.17 -1.55 0.10 0.00 1.01 0.00 0.00 58.87 58.60 2qan n SER 204 Cb 0.82 -0.11 0.58 0.00 -1.01 0.00 0.00 64.21 64.49 2qan n SER 204 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20