#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao h LYS 3 N 0.00 0.47 0.48 -0.67 1.79 -2.07 -2.25 116.57 114.32 2qao h LYS 3 Ca 0.00 -0.06 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 2qao h LYS 3 Cb 0.00 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.56 2qao h LYS 3 CO 0.00 0.40 -0.23 -0.22 -1.08 0.00 0.00 179.45 178.32 2qao h LYS 4 N 0.42 -0.62 -0.29 3.15 3.64 -2.06 -2.53 116.57 118.27 2qao h LYS 4 Ca 0.12 0.04 0.08 0.00 -1.27 0.00 0.00 60.65 59.62 2qao h LYS 4 Cb 0.07 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 2qao h LYS 4 CO -0.02 -0.34 0.51 0.77 -2.27 0.00 0.00 179.45 178.10 2qao h SER 5 N -0.83 0.00 0.21 4.20 0.02 -2.00 -2.24 113.55 112.90 2qao h SER 5 Ca -0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2qao h SER 5 Cb 0.57 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.11 2qao h SER 5 CO 0.11 0.00 -0.10 0.00 -1.14 0.00 0.00 176.83 175.70 2qao h ALA 6 N 1.25 -0.52 -0.80 3.77 0.00 -0.97 -3.25 119.26 118.74 2qao h ALA 6 Ca 0.14 -0.06 0.18 0.00 0.00 0.00 0.00 54.91 55.16 2qao h ALA 6 Cb 1.15 0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.90 2qao h ALA 6 CO -0.00 -0.50 -0.09 -0.09 0.00 0.00 0.00 179.25 178.57 2qao h ARG 7 N -0.53 0.04 -0.26 0.00 2.43 -1.28 -2.25 114.38 112.53 2qao h ARG 7 Ca -0.03 -0.00 0.03 0.00 -0.81 0.00 0.00 59.98 59.17 2qao h ARG 7 Cb 0.21 -0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.71 2qao h ARG 7 CO 0.05 0.03 -0.27 0.82 -1.51 0.00 0.00 179.97 179.09 2qao h ILE 8 N 0.04 0.00 -0.71 1.20 2.04 -1.60 0.17 117.51 118.66 2qao h ILE 8 Ca 0.42 0.00 0.17 0.00 1.00 0.00 0.00 64.86 66.45 2qao h ILE 8 Cb 0.71 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 2qao h ILE 8 CO -0.77 0.00 0.48 0.08 0.00 0.00 0.00 178.15 177.94 2qao h ARG 9 N -0.14 0.23 -0.30 2.37 0.11 -1.44 0.16 114.38 115.36 2qao h ARG 9 Ca 0.04 -0.01 0.00 0.00 0.10 0.00 0.00 59.98 60.11 2qao h ARG 9 Cb 0.26 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 2qao h ARG 9 CO -0.32 0.15 0.19 0.00 0.10 0.00 0.00 179.97 180.09 2qao h ARG 10 N 0.23 0.40 0.00 0.08 3.08 -0.63 -2.76 114.38 114.77 2qao h ARG 10 Ca 0.34 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.36 2qao h ARG 10 Cb 1.02 -0.09 0.00 0.00 0.08 0.00 0.00 29.97 30.98 2qao h ARG 10 CO -0.07 0.29 -0.46 0.00 -1.07 0.00 0.00 179.97 178.65 2qao h ALA 11 N 1.09 0.72 -0.58 0.04 0.00 -0.58 -3.32 119.26 116.62 2qao h ALA 11 Ca 0.11 0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.19 2qao h ALA 11 Cb -0.02 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 2qao h ALA 11 CO -0.02 0.00 0.52 1.15 0.00 0.00 0.00 179.25 180.90 2qao h THR 12 N 0.00 0.44 0.00 0.00 2.02 -0.43 0.12 112.91 115.06 2qao h THR 12 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.18 2qao h THR 12 Cb 0.83 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 67.84 2qao h THR 12 CO 0.00 0.00 0.00 -1.14 0.37 0.00 0.00 175.52 174.75 2qao n ARG 13 N -3.91 0.00 -0.32 6.66 3.00 -1.25 -3.17 116.66 117.68 2qao n ARG 13 Ca 0.11 0.05 0.22 0.00 -0.00 0.00 0.00 57.85 58.23 2qao n ARG 13 Cb 0.75 -0.88 0.50 0.00 0.00 0.00 0.00 32.46 32.83 2qao n ARG 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2qao h ALA 14 N -2.00 2.19 0.00 5.13 0.00 -1.77 0.90 119.26 123.71 2qao h ALA 14 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 2qao h ALA 14 Cb 0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 2qao h ALA 14 CO 0.00 -0.59 0.00 0.54 0.00 0.00 0.00 179.25 179.20 2qao n ARG 15 N -4.63 0.38 -0.01 0.00 1.74 0.42 -0.11 116.66 114.45 2qao n ARG 15 Ca 0.25 0.00 -0.01 0.00 -0.77 0.00 0.00 57.85 57.31 2qao n ARG 15 Cb 0.84 -1.08 -0.01 0.00 -1.02 0.00 0.00 32.46 31.19 2qao n ARG 15 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2qao n ARG 16 N -0.58 0.05 0.00 5.56 3.00 0.31 -4.15 116.66 120.84 2qao n ARG 16 Ca 0.02 0.01 0.10 0.00 -0.00 0.00 0.00 57.85 57.98 2qao n ARG 16 Cb 0.01 -0.99 0.49 0.00 0.00 0.00 0.00 32.46 31.96 2qao n ARG 16 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 2qao n LYS 17 N -2.61 0.11 -0.08 -0.14 0.00 -0.66 -1.03 118.16 113.74 2qao n LYS 17 Ca -0.03 0.12 -0.13 0.00 0.00 0.00 0.00 58.31 58.26 2qao n LYS 17 Cb 0.53 -1.50 -0.07 0.00 0.00 0.00 0.00 35.03 33.99 2qao n LYS 17 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 2qao h LEU 18 N 0.00 0.00 -0.39 3.14 5.85 -0.74 -2.99 115.31 120.18 2qao h LEU 18 Ca 0.00 -0.34 0.04 0.00 0.84 0.00 0.00 57.88 58.43 2qao h LEU 18 Cb 0.31 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.30 2qao h LEU 18 CO 0.00 1.10 0.15 -0.61 -0.34 0.00 0.00 178.44 178.73 2qao h GLN 19 N -1.00 0.30 -0.82 1.25 4.15 -1.69 -1.61 115.11 115.70 2qao h GLN 19 Ca -0.16 -0.02 0.08 0.00 0.77 0.00 0.00 58.65 59.32 2qao h GLN 19 Cb 0.88 -0.07 -0.07 0.00 0.21 0.00 0.00 27.48 28.43 2qao h GLN 19 CO -0.10 0.20 0.48 1.49 -1.93 0.00 0.00 178.83 178.97 2qao h GLU 20 N 0.31 0.81 0.00 1.69 4.22 -1.25 0.31 114.58 120.67 2qao h GLU 20 Ca 0.18 -0.05 0.00 0.00 0.08 0.00 0.00 59.36 59.57 2qao h GLU 20 Cb 0.14 -0.18 0.00 0.00 0.50 0.00 0.00 28.75 29.21 2qao h GLU 20 CO -0.17 0.53 0.00 1.28 -2.18 0.00 0.00 179.01 178.48 2qao n LEU 21 N -4.71 0.00 -2.24 1.64 4.77 -0.64 -4.82 117.00 111.00 2qao n LEU 21 Ca 0.13 0.10 -0.12 0.00 -0.03 0.00 0.00 56.01 56.09 2qao n LEU 21 Cb 0.24 -0.10 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2qao n LEU 21 CO 0.28 -0.05 -0.15 0.61 -1.33 0.00 0.00 177.39 176.75 2qao n GLY 22 N -0.07 -0.20 3.95 -0.72 0.00 0.11 -4.93 105.19 103.32 2qao n GLY 22 Ca 0.10 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 2qao n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qao s ALA 23 N -2.49 3.76 -0.37 4.61 0.00 -1.18 -4.87 121.76 121.23 2qao s ALA 23 Ca 0.00 -1.00 -0.21 0.00 0.00 0.00 0.00 51.96 50.75 2qao s ALA 23 Cb 0.00 -2.07 0.01 0.00 0.00 0.00 0.00 23.12 21.06 2qao s ALA 23 CO 0.00 -0.09 0.66 0.95 0.00 0.00 0.00 175.76 177.28 2qao s THR 24 N -2.34 4.86 0.14 0.00 -4.23 -1.26 -4.38 115.64 108.42 2qao s THR 24 Ca 0.42 0.56 0.01 0.00 -1.18 0.00 0.00 61.69 61.49 2qao s THR 24 Cb -0.10 -4.11 -0.04 0.00 1.34 0.00 0.00 72.50 69.59 2qao s THR 24 CO 0.36 -0.37 0.29 0.00 -0.54 0.00 0.00 174.62 174.36 2qao s ARG 25 N 2.78 3.47 -0.50 3.99 1.70 -1.24 -1.22 118.95 127.93 2qao s ARG 25 Ca 0.25 -0.48 -0.01 0.00 -0.47 0.00 0.00 55.73 55.02 2qao s ARG 25 Cb -0.14 -2.95 0.13 0.00 -0.57 0.00 0.00 34.95 31.42 2qao s ARG 25 CO 0.16 0.51 0.28 -1.17 -1.08 0.00 0.00 175.30 174.00 2qao s LEU 26 N -3.05 5.09 0.65 -1.89 2.96 0.17 -2.29 118.68 120.31 2qao s LEU 26 Ca 0.36 -2.47 -0.17 0.00 -0.22 0.00 0.00 54.13 51.63 2qao s LEU 26 Cb -0.12 -1.80 -0.01 0.00 0.50 0.00 0.00 46.19 44.77 2qao s LEU 26 CO 0.28 -0.43 1.24 -0.69 -1.32 0.00 0.00 176.35 175.43 2qao s VAL 27 N 0.50 2.35 -0.39 1.68 1.01 -0.55 -2.95 120.40 122.05 2qao s VAL 27 Ca 0.13 0.21 0.03 0.00 0.00 0.00 0.00 61.98 62.34 2qao s VAL 27 Cb -0.22 -2.99 0.16 0.00 0.00 0.00 0.00 36.38 33.32 2qao s VAL 27 CO -0.04 -0.06 0.33 0.54 0.00 0.00 0.00 175.10 175.87 2qao s VAL 28 N -1.64 0.02 0.40 2.92 0.11 -1.20 -1.97 120.40 119.04 2qao s VAL 28 Ca 0.78 -1.81 -0.24 0.00 -2.93 0.00 0.00 61.98 57.79 2qao s VAL 28 Cb -0.32 -0.98 -0.09 0.00 -1.53 0.00 0.00 36.38 33.45 2qao s VAL 28 CO 0.38 -0.91 1.01 -2.28 -3.33 0.00 0.00 175.10 169.97 2qao s HIS 29 N 0.80 3.33 0.11 1.54 5.65 -1.23 -4.69 115.29 120.80 2qao s HIS 29 Ca 0.24 1.66 0.04 0.00 0.25 0.00 0.00 55.06 57.25 2qao s HIS 29 Cb -0.11 -3.04 -0.04 0.00 -1.18 0.00 0.00 32.58 28.22 2qao s HIS 29 CO -0.07 -0.40 -0.11 0.50 -0.65 0.00 0.00 174.74 174.01 2qao s ARG 30 N -2.59 0.91 -0.01 2.88 3.00 -1.26 -0.75 118.95 121.12 2qao s ARG 30 Ca 0.58 -1.23 -0.29 0.00 -1.00 0.00 0.00 55.73 53.79 2qao s ARG 30 Cb -0.19 -0.59 0.09 0.00 0.00 0.00 0.00 34.95 34.25 2qao s ARG 30 CO 0.24 0.09 0.75 -0.08 0.00 0.00 0.00 175.30 176.30 2qao s THR 31 N -2.60 0.00 0.20 4.11 -1.32 -0.53 -5.00 115.64 110.51 2qao s THR 31 Ca 0.08 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.34 2qao s THR 31 Cb -0.02 -1.00 0.13 0.00 -1.51 0.00 0.00 72.50 70.10 2qao s THR 31 CO 0.00 0.00 1.55 -0.65 -2.21 0.00 0.00 174.62 173.32 2qao h PRO 32 N 2.53 -0.03 -0.41 7.08 0.11 -1.99 -1.65 132.00 137.64 2qao h PRO 32 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 2qao h PRO 32 Cb 1.20 0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2qao h PRO 32 CO 0.36 -0.02 0.00 0.54 -0.21 0.00 0.00 178.00 178.67 2qao n ARG 33 N -5.40 2.33 -3.81 1.05 3.00 -1.26 -4.78 116.66 107.78 2qao n ARG 33 Ca 0.07 -2.03 -0.09 0.00 -0.01 0.00 0.00 57.85 55.78 2qao n ARG 33 Cb 0.35 -1.48 -0.04 0.00 0.00 0.00 0.00 32.46 31.29 2qao n ARG 33 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.63 176.62 2qao s HIS 34 N -1.47 0.02 -0.01 -1.55 3.76 -0.62 -4.51 115.29 110.90 2qao s HIS 34 Ca 0.38 -0.37 0.01 0.00 -0.15 0.00 0.00 55.06 54.92 2qao s HIS 34 Cb 0.21 0.32 0.01 0.00 1.11 0.00 0.00 32.58 34.24 2qao s HIS 34 CO 0.30 -0.92 -0.01 -1.50 -0.85 0.00 0.00 174.74 171.75 2qao s ILE 35 N -3.91 0.17 0.35 0.60 -1.16 -1.26 -1.46 121.20 114.53 2qao s ILE 35 Ca 0.12 -0.01 0.05 0.00 -0.51 0.00 0.00 60.65 60.31 2qao s ILE 35 Cb -0.01 -0.20 -0.07 0.00 0.61 0.00 0.00 42.46 42.79 2qao s ILE 35 CO -0.00 0.09 0.03 -0.31 -2.81 0.00 0.00 174.94 171.94 2qao s TYR 36 N 0.45 2.15 -0.30 3.50 4.12 0.07 -2.19 117.35 125.15 2qao s TYR 36 Ca -0.04 -0.84 -0.18 0.00 0.02 0.00 0.00 57.07 56.03 2qao s TYR 36 Cb -0.07 -1.43 0.20 0.00 -1.52 0.00 0.00 41.96 39.13 2qao s TYR 36 CO -0.01 0.18 1.23 0.00 0.02 0.00 0.00 175.55 176.97 2qao s ALA 37 N -3.08 -2.94 -0.14 3.71 0.00 -1.25 -3.48 121.76 114.58 2qao s ALA 37 Ca 0.35 1.91 -0.12 0.00 0.00 0.00 0.00 51.96 54.11 2qao s ALA 37 Cb 0.09 -2.12 0.04 0.00 0.00 0.00 0.00 23.12 21.12 2qao s ALA 37 CO 0.16 -0.69 0.36 1.14 0.00 0.00 0.00 175.76 176.73 2qao s GLN 38 N 1.68 0.41 -0.38 0.00 -2.07 -0.83 -1.60 119.66 116.87 2qao s GLN 38 Ca -0.04 0.53 -0.18 0.00 -1.82 0.00 0.00 55.36 53.85 2qao s GLN 38 Cb -0.02 0.17 0.00 0.00 -1.09 0.00 0.00 33.01 32.08 2qao s GLN 38 CO -0.14 -0.06 0.53 0.08 -1.32 0.00 0.00 175.29 174.37 2qao s VAL 39 N 0.34 4.99 0.02 3.63 1.01 -0.87 -1.49 120.40 128.03 2qao s VAL 39 Ca -0.01 0.21 -0.01 0.00 0.00 0.00 0.00 61.98 62.17 2qao s VAL 39 Cb -0.03 -4.02 -0.04 0.00 0.00 0.00 0.00 36.38 32.29 2qao s VAL 39 CO -0.01 -0.31 0.14 -0.63 0.00 0.00 0.00 175.10 174.29 2qao s ILE 40 N 2.44 5.07 0.92 2.22 1.01 -0.97 0.57 121.20 132.46 2qao s ILE 40 Ca 0.18 -0.37 -0.11 0.00 0.00 0.00 0.00 60.65 60.35 2qao s ILE 40 Cb -0.15 -3.39 0.14 0.00 0.01 0.00 0.00 42.46 39.07 2qao s ILE 40 CO 0.14 0.27 1.09 0.00 0.00 0.00 0.00 174.94 176.44 2qao s ALA 41 N -1.33 1.36 0.31 9.38 0.00 -0.37 -3.66 121.76 127.45 2qao s ALA 41 Ca 0.28 0.08 0.06 0.00 0.00 0.00 0.00 51.96 52.38 2qao s ALA 41 Cb -0.12 -3.25 0.76 0.00 0.00 0.00 0.00 23.12 20.50 2qao s ALA 41 CO 0.19 -2.54 1.78 -1.35 0.00 0.00 0.00 175.76 173.84 2qao h PRO 42 N -1.69 0.73 0.00 0.00 0.11 -1.90 0.38 132.00 129.63 2qao h PRO 42 Ca -0.49 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.57 2qao h PRO 42 Cb 1.28 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 32.23 2qao h PRO 42 CO 0.51 0.48 0.00 0.27 -0.21 0.00 0.00 178.00 179.06 2qao n ASN 43 N -4.77 0.00 0.00 -2.05 0.23 -1.26 -4.84 115.26 102.58 2qao n ASN 43 Ca 0.24 0.12 0.00 0.00 -0.53 0.00 0.00 54.58 54.40 2qao n ASN 43 Cb 0.59 -0.29 0.00 0.00 -2.08 0.00 0.00 39.78 38.00 2qao n ASN 43 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qao n GLY 44 N -0.26 0.00 0.12 4.83 0.00 0.13 -4.75 105.19 105.26 2qao n GLY 44 Ca 0.06 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.83 2qao n GLY 44 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2qao n SER 45 N -0.33 1.91 -4.82 1.61 7.64 -1.26 -4.93 113.62 113.44 2qao n SER 45 Ca 0.00 0.39 -0.37 0.00 1.01 0.00 0.00 58.87 59.90 2qao n SER 45 Cb 0.32 -0.88 -0.07 0.00 -1.01 0.00 0.00 64.21 62.58 2qao n SER 45 CO 0.00 0.00 0.00 -1.83 -3.01 0.00 0.00 175.04 170.20 2qao s GLU 46 N -2.45 3.79 0.25 1.43 -1.05 -1.26 -5.00 118.70 114.40 2qao s GLU 46 Ca -0.33 -0.00 -0.06 0.00 -0.15 0.00 0.00 54.97 54.42 2qao s GLU 46 Cb 0.10 -3.27 -0.06 0.00 -0.44 0.00 0.00 34.13 30.46 2qao s GLU 46 CO 0.52 0.59 0.52 0.08 0.95 0.00 0.00 175.26 177.92 2qao s VAL 47 N -0.55 5.03 -0.18 1.83 1.01 -1.26 -1.23 120.40 125.05 2qao s VAL 47 Ca 0.16 0.14 -0.09 0.00 0.00 0.00 0.00 61.98 62.18 2qao s VAL 47 Cb -0.13 -3.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.49 2qao s VAL 47 CO 0.05 -0.19 -0.24 0.18 0.00 0.00 0.00 175.10 174.90 2qao n LEU 48 N -0.55 1.33 -4.30 3.92 4.77 0.19 -4.86 117.00 117.49 2qao n LEU 48 Ca -0.01 0.23 -0.18 0.00 -0.03 0.00 0.00 56.01 56.02 2qao n LEU 48 Cb 0.53 -0.55 -0.09 0.00 -2.33 0.00 0.00 43.42 40.98 2qao n LEU 48 CO 0.47 0.31 -0.19 0.68 -1.33 0.00 0.00 177.39 177.34 2qao s VAL 49 N -2.36 0.21 -0.24 4.08 -7.23 -1.14 -4.98 120.40 108.74 2qao s VAL 49 Ca -0.25 -2.00 -0.28 0.00 -1.81 0.00 0.00 61.98 57.64 2qao s VAL 49 Cb 0.09 -2.50 0.15 0.00 0.56 0.00 0.00 36.38 34.68 2qao s VAL 49 CO 0.32 0.00 1.15 0.00 -0.31 0.00 0.00 175.10 176.26 2qao s ALA 50 N -3.67 -2.03 -0.32 1.32 0.00 -1.26 -2.06 121.76 113.74 2qao s ALA 50 Ca 0.37 1.74 0.05 0.00 0.00 0.00 0.00 51.96 54.12 2qao s ALA 50 Cb 0.05 -1.24 0.18 0.00 0.00 0.00 0.00 23.12 22.10 2qao s ALA 50 CO 0.18 -0.24 0.52 0.00 0.00 0.00 0.00 175.76 176.23 2qao s ALA 51 N -0.53 -1.82 0.03 0.00 0.00 -0.63 -4.81 121.76 114.00 2qao s ALA 51 Ca 0.03 0.40 0.05 0.00 0.00 0.00 0.00 51.96 52.44 2qao s ALA 51 Cb -0.03 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.67 2qao s ALA 51 CO -0.05 -1.93 -0.12 -1.54 0.00 0.00 0.00 175.76 172.13 2qao s SER 52 N 2.38 4.26 0.43 0.00 1.04 -1.26 -3.92 113.70 116.64 2qao s SER 52 Ca 0.12 -0.29 0.24 0.00 0.48 0.00 0.00 55.95 56.50 2qao s SER 52 Cb -0.10 -0.86 1.31 0.00 0.10 0.00 0.00 66.02 66.47 2qao s SER 52 CO -0.21 0.26 1.71 0.71 0.98 0.00 0.00 173.24 176.69 2qao h THR 53 N 3.76 0.00 0.00 2.02 1.35 -1.79 0.19 112.91 118.45 2qao h THR 53 Ca -0.48 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.31 2qao h THR 53 Cb 1.16 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.11 2qao h THR 53 CO 0.51 0.00 -0.35 1.62 -0.25 0.00 0.00 175.52 177.05 2qao h VAL 54 N 0.00 1.02 -2.68 6.82 3.04 -1.95 -3.31 116.25 119.20 2qao h VAL 54 Ca 0.00 -1.29 -0.55 0.00 -1.01 0.00 0.00 66.70 63.85 2qao h VAL 54 Cb 0.29 1.74 -0.01 0.00 -2.01 0.00 0.00 31.29 31.31 2qao h VAL 54 CO 0.00 0.34 1.04 -1.61 -1.01 0.00 0.00 177.57 176.33 2qao s GLU 55 N -3.95 4.20 0.31 4.17 2.02 0.05 -4.82 118.70 120.68 2qao s GLU 55 Ca -0.02 2.09 0.08 0.00 0.02 0.00 0.00 54.97 57.14 2qao s GLU 55 Cb 0.13 -3.91 0.85 0.00 0.10 0.00 0.00 34.13 31.30 2qao s GLU 55 CO 0.69 -0.80 1.69 -0.22 0.02 0.00 0.00 175.26 176.64 2qao h LYS 56 N 9.17 0.39 -0.07 1.61 3.64 -1.88 0.15 116.57 129.59 2qao h LYS 56 Ca -0.37 -0.02 0.02 0.00 -1.27 0.00 0.00 60.65 59.00 2qao h LYS 56 Cb 1.17 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.89 2qao h LYS 56 CO 0.95 0.26 0.66 0.00 -2.27 0.00 0.00 179.45 179.05 2qao h ALA 57 N 1.76 1.73 0.00 5.00 0.00 -1.94 -1.30 119.26 124.50 2qao h ALA 57 Ca 0.62 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.53 2qao h ALA 57 Cb 1.25 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2qao h ALA 57 CO -0.55 -0.69 -0.94 -0.89 0.00 0.00 0.00 179.25 176.18 2qao n ILE 58 N -2.78 0.00 -0.17 0.00 5.41 0.34 -4.63 119.36 117.53 2qao n ILE 58 Ca 0.00 0.00 0.01 0.00 1.00 0.00 0.00 62.75 63.77 2qao n ILE 58 Cb 0.70 -0.80 0.28 0.00 -0.71 0.00 0.00 39.64 39.12 2qao n ILE 58 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2qao h ALA 59 N 0.00 1.52 0.16 -1.39 0.00 0.01 -1.43 119.26 118.13 2qao h ALA 59 Ca 0.00 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 2qao h ALA 59 Cb 0.94 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.45 2qao h ALA 59 CO 0.00 0.44 -0.08 0.93 0.00 0.00 0.00 179.25 180.55 2qao h GLU 60 N 0.92 -0.20 0.00 0.00 4.39 -1.55 -3.20 114.58 114.94 2qao h GLU 60 Ca 0.25 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.97 2qao h GLU 60 Cb -0.09 0.05 0.00 0.00 -0.10 0.00 0.00 28.75 28.60 2qao h GLU 60 CO -0.06 -0.14 0.09 1.04 -1.16 0.00 0.00 179.01 178.78 2qao n GLN 61 N -3.31 0.00 0.00 2.33 1.13 -1.23 -4.52 117.38 111.77 2qao n GLN 61 Ca -0.03 0.29 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2qao n GLN 61 Cb 0.08 -1.59 0.00 0.00 0.11 0.00 0.00 30.24 28.85 2qao n GLN 61 CO 0.00 0.00 0.00 -0.11 -1.44 0.00 0.00 177.06 175.51 2qao n LEU 62 N -1.26 0.00 0.15 1.08 -0.00 -0.54 -5.09 117.00 111.33 2qao n LEU 62 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 2qao n LEU 62 Cb 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.51 2qao n LEU 62 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 177.39 178.56 2qao n LYS 63 N 0.00 0.00 -3.50 1.96 4.81 -1.26 -5.06 118.16 115.10 2qao n LYS 63 Ca 0.00 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.33 2qao n LYS 63 Cb 0.00 0.00 -0.10 0.00 0.02 0.00 0.00 35.03 34.95 2qao n LYS 63 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 2qao s TYR 64 N -1.89 -0.69 -0.35 5.64 5.04 -1.26 -5.10 117.35 118.74 2qao s TYR 64 Ca 0.00 0.97 -0.32 0.00 -2.44 0.00 0.00 57.07 55.28 2qao s TYR 64 Cb 0.00 0.04 -0.10 0.00 0.35 0.00 0.00 41.96 42.26 2qao s TYR 64 CO 0.00 -0.58 2.24 0.25 -1.34 0.00 0.00 175.55 176.12 2qao n THR 65 N 5.36 0.20 0.00 4.34 -2.24 -1.26 -0.48 114.28 120.20 2qao n THR 65 Ca -0.06 -0.35 0.00 0.00 -2.27 0.00 0.00 64.05 61.37 2qao n THR 65 Cb 0.50 -1.95 0.00 0.00 -2.10 0.00 0.00 70.33 66.77 2qao n THR 65 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qao n GLY 66 N 6.30 1.40 1.60 3.38 0.00 -1.26 -3.74 105.19 112.87 2qao n GLY 66 Ca 0.39 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.29 2qao n GLY 66 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2qao n ASN 67 N 0.00 3.40 0.00 1.61 4.05 0.37 -4.91 115.26 119.78 2qao n ASN 67 Ca 0.00 -2.79 0.00 0.00 0.45 0.00 0.00 54.58 52.24 2qao n ASN 67 Cb 0.00 -0.67 0.00 0.00 1.23 0.00 0.00 39.78 40.34 2qao n ASN 67 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 177.26 175.38 2qao n LYS 68 N -0.30 0.00 0.12 1.20 4.81 -1.26 -3.29 118.16 119.44 2qao n LYS 68 Ca 0.29 0.00 0.11 0.00 -0.87 0.00 0.00 58.31 57.84 2qao n LYS 68 Cb 1.07 0.00 0.48 0.00 0.02 0.00 0.00 35.03 36.60 2qao n LYS 68 CO 0.00 0.00 0.00 -0.40 1.17 0.00 0.00 177.40 178.17 2qao n ASP 69 N 2.89 0.55 0.23 3.14 3.85 -1.26 0.25 116.55 126.20 2qao n ASP 69 Ca 0.00 0.67 0.12 0.00 -0.71 0.00 0.00 54.79 54.87 2qao n ASP 69 Cb 0.00 -0.77 0.42 0.00 -1.35 0.00 0.00 41.12 39.42 2qao n ASP 69 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 2qao h ALA 70 N 2.20 0.97 0.06 2.12 0.00 -1.83 -2.35 119.26 120.43 2qao h ALA 70 Ca 0.00 -0.14 -0.27 0.00 0.00 0.00 0.00 54.91 54.50 2qao h ALA 70 Cb 0.23 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2qao h ALA 70 CO 0.00 0.19 -1.46 0.00 0.00 0.00 0.00 179.25 177.98 2qao h ALA 71 N 1.85 0.29 -1.01 0.00 0.00 -0.49 -3.33 119.26 116.56 2qao h ALA 71 Ca -0.00 -1.21 0.26 0.00 0.00 0.00 0.00 54.91 53.95 2qao h ALA 71 Cb 0.80 0.66 -0.13 0.00 0.00 0.00 0.00 17.79 19.11 2qao h ALA 71 CO 0.02 0.88 0.59 0.00 0.00 0.00 0.00 179.25 180.74 2qao h ALA 72 N -0.23 1.83 0.16 0.00 0.00 -1.12 0.63 119.26 120.54 2qao h ALA 72 Ca -0.35 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.70 2qao h ALA 72 Cb 1.59 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.41 2qao h ALA 72 CO -0.07 -0.33 -0.18 0.00 0.00 0.00 0.00 179.25 178.67 2qao h ALA 73 N 1.75 -0.34 -0.94 0.00 0.00 -1.56 -0.46 119.26 117.71 2qao h ALA 73 Ca 0.66 -0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.58 2qao h ALA 73 Cb 1.32 0.26 -0.06 0.00 0.00 0.00 0.00 17.79 19.31 2qao h ALA 73 CO -0.50 -0.72 0.60 0.28 0.00 0.00 0.00 179.25 178.92 2qao h VAL 74 N -0.37 1.11 0.14 0.00 2.07 -0.37 0.12 116.25 118.95 2qao h VAL 74 Ca 0.01 -0.39 0.01 0.00 0.82 0.00 0.00 66.70 67.15 2qao h VAL 74 Cb 0.36 -0.12 -0.05 0.00 -1.52 0.00 0.00 31.29 29.97 2qao h VAL 74 CO -0.05 0.21 -0.48 1.23 0.02 0.00 0.00 177.57 178.49 2qao h GLY 75 N 1.13 -1.03 1.04 2.17 0.00 0.11 0.13 103.07 106.63 2qao h GLY 75 Ca 0.39 0.58 -0.03 0.00 0.00 0.00 0.00 47.33 48.27 2qao h GLY 75 CO -0.15 -0.27 0.43 1.70 0.00 0.00 0.00 176.54 178.25 2qao h LYS 76 N -0.73 1.23 -0.53 4.80 3.64 -0.81 -2.65 116.57 121.53 2qao h LYS 76 Ca 0.00 -0.17 0.11 0.00 -1.27 0.00 0.00 60.65 59.32 2qao h LYS 76 Cb 0.74 -0.23 -0.11 0.00 -0.41 0.00 0.00 32.23 32.23 2qao h LYS 76 CO -0.26 0.94 -0.21 0.00 -2.27 0.00 0.00 179.45 177.64 2qao h ALA 77 N 1.24 0.19 -0.19 5.00 0.00 0.13 0.36 119.26 125.98 2qao h ALA 77 Ca 0.30 0.19 0.04 0.00 0.00 0.00 0.00 54.91 55.44 2qao h ALA 77 Cb 0.10 0.54 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 2qao h ALA 77 CO -0.04 -0.53 -0.07 0.28 0.00 0.00 0.00 179.25 178.89 2qao h VAL 78 N -0.09 0.75 -0.53 0.00 2.07 -0.66 -1.74 116.25 116.06 2qao h VAL 78 Ca 0.25 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.86 2qao h VAL 78 Cb 0.47 0.75 -0.08 0.00 -1.52 0.00 0.00 31.29 30.91 2qao h VAL 78 CO -0.59 0.00 0.07 0.00 0.02 0.00 0.00 177.57 177.07 2qao h ALA 79 N 1.15 0.57 -0.06 1.67 0.00 -0.67 0.23 119.26 122.15 2qao h ALA 79 Ca 0.10 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 2qao h ALA 79 Cb 0.19 0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qao h ALA 79 CO -0.22 -0.34 0.00 0.39 0.00 0.00 0.00 179.25 179.08 2qao n GLU 80 N -5.16 0.00 0.05 0.00 -0.58 0.10 -2.59 120.64 112.47 2qao n GLU 80 Ca 0.07 0.83 -0.11 0.00 -0.42 0.00 0.00 57.16 57.52 2qao n GLU 80 Cb 0.28 -1.49 -0.07 0.00 -0.57 0.00 0.00 31.44 29.59 2qao n GLU 80 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qao h ARG 81 N 0.00 -0.46 -4.77 3.49 -0.00 -1.17 -3.11 114.38 108.36 2qao h ARG 81 Ca 0.00 0.03 -0.56 0.00 -0.50 0.00 0.00 59.98 58.95 2qao h ARG 81 Cb 0.00 0.11 0.05 0.00 0.00 0.00 0.00 29.97 30.13 2qao h ARG 81 CO 0.00 -0.31 1.83 0.00 0.00 0.00 0.00 179.97 181.50 2qao n ALA 82 N -2.80 2.49 0.03 0.04 0.00 0.80 -2.38 120.51 118.69 2qao n ALA 82 Ca -0.05 -3.11 0.00 0.00 0.00 0.00 0.00 53.44 50.27 2qao n ALA 82 Cb 0.27 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 16.10 2qao n ALA 82 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qao n LEU 83 N 9.44 -0.58 0.09 0.00 7.94 -1.15 -4.53 117.00 128.21 2qao n LEU 83 Ca 0.48 0.31 0.02 0.00 -1.11 0.00 0.00 56.01 55.70 2qao n LEU 83 Cb 0.42 0.78 0.36 0.00 0.53 0.00 0.00 43.42 45.52 2qao n LEU 83 CO 0.99 -0.02 0.89 -0.08 -1.11 0.00 0.00 177.39 178.06 2qao h GLU 84 N 0.00 0.31 0.00 1.96 4.81 -1.44 0.67 114.58 120.89 2qao h GLU 84 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 2qao h GLU 84 Cb 0.00 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.34 2qao h GLU 84 CO 0.00 0.43 0.00 1.63 -0.73 0.00 0.00 179.01 180.34 2qao n LYS 85 N -4.27 0.03 -0.54 1.92 4.76 -1.08 -4.80 118.16 114.18 2qao n LYS 85 Ca -0.00 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.71 2qao n LYS 85 Cb 0.27 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 31.96 2qao n LYS 85 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2qao n GLY 86 N -0.30 0.76 3.71 0.72 0.00 0.23 -5.03 105.19 105.27 2qao n GLY 86 Ca 0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.64 2qao n GLY 86 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qao s ILE 87 N -2.71 4.93 0.17 -0.61 -1.09 -1.24 -4.88 121.20 115.77 2qao s ILE 87 Ca 0.00 1.78 -0.24 0.00 -2.23 0.00 0.00 60.65 59.96 2qao s ILE 87 Cb 0.00 -4.19 0.06 0.00 -1.58 0.00 0.00 42.46 36.74 2qao s ILE 87 CO 0.00 0.17 0.80 -0.75 -1.23 0.00 0.00 174.94 173.93 2qao s LYS 88 N 1.11 1.34 -0.30 2.79 2.20 -1.26 -2.92 119.74 122.70 2qao s LYS 88 Ca 0.45 -0.66 -0.03 0.00 -0.36 0.00 0.00 55.97 55.36 2qao s LYS 88 Cb -0.19 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.64 2qao s LYS 88 CO 0.22 -0.60 0.12 -0.25 -0.36 0.00 0.00 175.35 174.47 2qao n ASP 89 N -0.41 -7.44 -4.05 1.43 10.43 -1.17 -4.89 116.55 110.45 2qao n ASP 89 Ca -0.08 1.13 -0.08 0.00 2.57 0.00 0.00 54.79 58.33 2qao n ASP 89 Cb 0.61 -4.94 -0.10 0.00 1.84 0.00 0.00 41.12 38.53 2qao n ASP 89 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 2qao s VAL 90 N -1.69 0.19 -0.02 2.53 -7.23 -0.78 -4.79 120.40 108.61 2qao s VAL 90 Ca 0.05 -1.58 -0.21 0.00 -1.81 0.00 0.00 61.98 58.43 2qao s VAL 90 Cb -0.01 -1.26 -0.05 0.00 0.56 0.00 0.00 36.38 35.61 2qao s VAL 90 CO 0.71 -0.87 0.60 -0.44 -0.31 0.00 0.00 175.10 174.78 2qao s SER 91 N -2.63 6.95 -0.17 4.85 0.01 -0.36 -4.57 113.70 117.78 2qao s SER 91 Ca 0.02 1.14 -0.23 0.00 1.31 0.00 0.00 55.95 58.19 2qao s SER 91 Cb 0.04 -2.36 -0.02 0.00 0.21 0.00 0.00 66.02 63.89 2qao s SER 91 CO -0.08 0.07 0.75 0.12 0.41 0.00 0.00 173.24 174.51 2qao s PHE 92 N -0.03 3.41 -0.84 2.43 5.36 -1.26 -0.65 117.98 126.40 2qao s PHE 92 Ca 0.31 1.13 -0.06 0.00 -0.96 0.00 0.00 56.93 57.35 2qao s PHE 92 Cb -0.18 -2.92 0.21 0.00 -0.34 0.00 0.00 43.02 39.79 2qao s PHE 92 CO 0.17 -0.19 0.73 0.34 -1.46 0.00 0.00 175.22 174.80 2qao s ASP 93 N 1.15 6.16 0.04 6.13 3.68 -1.15 -4.89 116.67 127.79 2qao s ASP 93 Ca 0.35 -3.21 0.02 0.00 2.13 0.00 0.00 52.55 51.84 2qao s ASP 93 Cb -0.16 -2.01 0.10 0.00 -1.45 0.00 0.00 42.92 39.40 2qao s ASP 93 CO 0.12 -0.35 0.96 -2.11 0.13 0.00 0.00 175.17 173.93 2qao n ARG 94 N 3.11 0.01 -3.60 4.34 1.85 -1.26 -3.22 116.66 117.90 2qao n ARG 94 Ca 0.16 0.42 -0.22 0.00 -1.00 0.00 0.00 57.85 57.21 2qao n ARG 94 Cb 0.40 -1.65 0.01 0.00 -1.05 0.00 0.00 32.46 30.18 2qao n ARG 94 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 2qao n SER 95 N -1.48 -5.68 0.00 2.89 7.64 -1.26 -1.48 113.62 114.25 2qao n SER 95 Ca -0.00 -0.79 0.00 0.00 1.01 0.00 0.00 58.87 59.09 2qao n SER 95 Cb 0.11 -3.07 0.00 0.00 -1.01 0.00 0.00 64.21 60.24 2qao n SER 95 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2qao n GLY 96 N -1.72 0.20 3.55 0.23 0.00 -1.26 -4.84 105.19 101.36 2qao n GLY 96 Ca -0.16 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.44 2qao n GLY 96 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qao s PHE 97 N -1.39 3.08 -0.90 1.61 0.08 -0.55 -4.90 117.98 115.00 2qao s PHE 97 Ca 0.00 0.25 -0.27 0.00 0.12 0.00 0.00 56.93 57.04 2qao s PHE 97 Cb 0.00 -3.40 -0.21 0.00 -0.57 0.00 0.00 43.02 38.85 2qao s PHE 97 CO 0.00 -0.81 2.56 0.94 -0.10 0.00 0.00 175.22 177.82 2qao n GLN 98 N 6.38 0.20 -1.54 0.44 0.00 -1.26 -4.75 117.38 116.85 2qao n GLN 98 Ca 0.01 -0.03 -0.36 0.00 -0.00 0.00 0.00 57.00 56.62 2qao n GLN 98 Cb 0.48 -1.86 -0.06 0.00 0.00 0.00 0.00 30.24 28.80 2qao n GLN 98 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.06 178.04 2qao n TYR 99 N 11.10 1.19 0.00 3.69 4.19 -1.26 -4.05 117.16 132.02 2qao n TYR 99 Ca 0.60 0.17 0.00 0.00 3.31 0.00 0.00 57.90 61.99 2qao n TYR 99 Cb 0.15 -2.54 0.00 0.00 0.49 0.00 0.00 39.34 37.44 2qao n TYR 99 CO 0.00 0.00 0.00 1.58 0.91 0.00 0.00 176.86 179.35 2qao n HIS 100 N 14.71 0.00 0.00 2.98 -0.00 -1.26 -4.84 115.22 126.81 2qao n HIS 100 Ca 0.45 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.63 2qao n HIS 100 Cb 0.42 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.29 2qao n HIS 100 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2qao n GLY 101 N -0.88 0.42 0.30 1.57 0.00 -1.26 -4.51 105.19 100.83 2qao n GLY 101 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2qao n GLY 101 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2qao h ARG 102 N 0.00 0.72 -0.35 1.61 3.08 -1.90 0.87 114.38 118.41 2qao h ARG 102 Ca 0.00 -0.10 -0.14 0.00 0.07 0.00 0.00 59.98 59.80 2qao h ARG 102 Cb 0.00 -0.13 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 2qao h ARG 102 CO 0.00 0.60 -0.35 0.28 -1.07 0.00 0.00 179.97 179.43 2qao h VAL 103 N 0.71 1.28 -0.26 2.04 2.07 -1.90 -2.51 116.25 117.68 2qao h VAL 103 Ca 0.17 -1.51 0.00 0.00 0.82 0.00 0.00 66.70 66.19 2qao h VAL 103 Cb 0.15 1.38 -0.01 0.00 -1.52 0.00 0.00 31.29 31.29 2qao h VAL 103 CO -0.02 0.50 0.17 -0.61 0.02 0.00 0.00 177.57 177.63 2qao h GLN 104 N 0.66 0.33 -7.36 1.57 4.15 -1.55 -3.24 115.11 109.67 2qao h GLN 104 Ca 0.07 -0.02 -0.46 0.00 0.77 0.00 0.00 58.65 59.00 2qao h GLN 104 Cb 0.90 -0.07 0.15 0.00 0.21 0.00 0.00 27.48 28.66 2qao h GLN 104 CO 0.08 0.22 0.22 0.00 -1.93 0.00 0.00 178.83 177.42 2qao s ALA 105 N -6.17 1.18 0.00 3.38 0.00 0.21 -2.28 121.76 118.07 2qao s ALA 105 Ca -0.13 -0.31 0.00 0.00 0.00 0.00 0.00 51.96 51.52 2qao s ALA 105 Cb 0.09 -3.13 0.00 0.00 0.00 0.00 0.00 23.12 20.09 2qao s ALA 105 CO 0.70 -2.66 0.00 1.47 0.00 0.00 0.00 175.76 175.27 2qao n LEU 106 N -4.07 0.00 0.00 0.00 -0.00 -1.26 -4.54 117.00 107.13 2qao n LEU 106 Ca 0.06 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.07 2qao n LEU 106 Cb 0.57 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.99 2qao n LEU 106 CO 0.57 0.00 0.11 0.00 -0.00 0.00 0.00 177.39 178.07 2qao n ALA 107 N 0.00 -0.04 0.04 1.47 0.00 -1.11 0.31 120.51 121.20 2qao n ALA 107 Ca 0.00 0.00 0.21 0.00 0.00 0.00 0.00 53.44 53.65 2qao n ALA 107 Cb 0.00 0.00 0.73 0.00 0.00 0.00 0.00 19.45 20.18 2qao n ALA 107 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 2qao h ASP 108 N 0.00 0.00 0.57 0.00 -0.00 -1.69 0.60 116.42 115.90 2qao h ASP 108 Ca 0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 57.03 57.00 2qao h ASP 108 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.34 2qao h ASP 108 CO 0.00 0.00 -0.27 0.00 -0.00 0.00 0.00 179.24 178.97 2qao h ALA 109 N 1.58 -0.77 -0.17 4.15 0.00 -1.79 0.81 119.26 123.08 2qao h ALA 109 Ca 0.23 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2qao h ALA 109 Cb 1.10 0.30 -0.01 0.00 0.00 0.00 0.00 17.79 19.17 2qao h ALA 109 CO -0.00 -0.82 0.01 0.00 0.00 0.00 0.00 179.25 178.43 2qao h ALA 110 N -0.69 1.71 0.01 0.00 0.00 0.21 0.41 119.26 120.90 2qao h ALA 110 Ca -0.08 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 2qao h ALA 110 Cb 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2qao h ALA 110 CO 0.13 0.23 -0.00 -0.09 0.00 0.00 0.00 179.25 179.51 2qao h ARG 111 N 0.24 -0.01 -0.25 0.00 2.43 0.46 -2.45 114.38 114.80 2qao h ARG 111 Ca 0.06 0.00 -0.08 0.00 -0.81 0.00 0.00 59.98 59.15 2qao h ARG 111 Cb 0.15 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.69 2qao h ARG 111 CO 0.00 0.15 -0.18 1.49 -1.51 0.00 0.00 179.97 179.92 2qao h GLU 112 N -0.16 0.44 0.00 0.20 4.22 0.16 -2.01 114.58 117.42 2qao h GLU 112 Ca -0.00 -0.14 0.00 0.00 0.08 0.00 0.00 59.36 59.30 2qao h GLU 112 Cb 0.16 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.37 2qao h GLU 112 CO 0.00 0.60 0.04 0.00 -2.18 0.00 0.00 179.01 177.48 2qao n ALA 113 N -2.48 0.98 0.00 2.92 0.00 0.14 -4.79 120.51 117.28 2qao n ALA 113 Ca 0.00 0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qao n ALA 113 Cb 0.35 -1.23 0.00 0.00 0.00 0.00 0.00 19.45 18.57 2qao n ALA 113 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qao n GLY 114 N -1.30 1.69 3.48 0.00 0.00 -0.76 -4.92 105.19 103.38 2qao n GLY 114 Ca -0.01 -0.21 -0.45 0.00 0.00 0.00 0.00 46.02 45.35 2qao n GLY 114 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2qao n LEU 115 N 0.00 0.21 -4.45 0.99 -0.00 -0.97 -4.91 117.00 107.87 2qao n LEU 115 Ca 0.00 1.07 -0.43 0.00 -0.00 0.00 0.00 56.01 56.65 2qao n LEU 115 Cb 0.00 -1.12 -0.08 0.00 -0.00 0.00 0.00 43.42 42.22 2qao n LEU 115 CO 0.00 -2.40 0.14 -1.58 -0.00 0.00 0.00 177.39 173.54 2qao s GLN 116 N -1.39 3.07 0.00 1.96 2.00 -1.26 -4.59 119.66 119.45 2qao s GLN 116 Ca 0.62 -0.92 0.00 0.00 -2.00 0.00 0.00 55.36 53.06 2qao s GLN 116 Cb -0.73 -4.03 0.00 0.00 0.80 0.00 0.00 33.01 29.04 2qao s GLN 116 CO 0.58 -0.97 0.00 1.97 -0.50 0.00 0.00 175.29 176.38