#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao h GLU 2 N 0.00 -0.37 -4.51 0.03 4.39 -1.98 -3.24 114.58 108.90 2qao h GLU 2 Ca 0.00 0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.73 2qao h GLU 2 Cb 0.00 0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.73 2qao h GLU 2 CO 0.00 -0.08 0.00 -2.37 -1.16 0.00 0.00 179.01 175.40 2qao n THR 3 N -5.04 -0.71 -4.34 1.13 5.66 -1.26 -4.17 114.28 105.56 2qao n THR 3 Ca -0.07 0.00 -0.26 0.00 -3.05 0.00 0.00 64.05 60.67 2qao n THR 3 Cb 0.23 -1.83 -0.09 0.00 -1.55 0.00 0.00 70.33 67.09 2qao n THR 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 175.07 172.29 2qao s ILE 4 N 0.00 3.02 -0.12 1.09 -5.25 -1.26 -3.71 121.20 114.97 2qao s ILE 4 Ca 0.00 -1.88 -0.13 0.00 -0.99 0.00 0.00 60.65 57.65 2qao s ILE 4 Cb 0.00 -2.53 0.03 0.00 2.95 0.00 0.00 42.46 42.91 2qao s ILE 4 CO 0.00 -0.21 0.36 0.00 -1.79 0.00 0.00 174.94 173.30 2qao s ALA 5 N -1.96 -0.90 0.20 2.27 0.00 -0.89 -5.00 121.76 115.48 2qao s ALA 5 Ca 0.26 0.96 -0.07 0.00 0.00 0.00 0.00 51.96 53.11 2qao s ALA 5 Cb -0.08 -0.52 -0.02 0.00 0.00 0.00 0.00 23.12 22.50 2qao s ALA 5 CO 0.15 -0.19 0.28 -1.59 0.00 0.00 0.00 175.76 174.42 2qao s LYS 6 N 0.01 1.28 -0.16 0.00 -2.85 -1.26 -1.29 119.74 115.47 2qao s LYS 6 Ca -0.02 -1.37 0.01 0.00 -1.00 0.00 0.00 55.97 53.59 2qao s LYS 6 Cb -0.03 0.36 0.02 0.00 -2.06 0.00 0.00 37.83 36.13 2qao s LYS 6 CO 0.01 -0.47 -0.15 -1.58 0.10 0.00 0.00 175.35 173.26 2qao s HIS 7 N -4.05 2.34 0.06 1.78 5.65 0.65 -4.99 115.29 116.72 2qao s HIS 7 Ca 0.26 -1.36 0.00 0.00 0.25 0.00 0.00 55.06 54.21 2qao s HIS 7 Cb 0.03 -1.67 -0.04 0.00 -1.18 0.00 0.00 32.58 29.72 2qao s HIS 7 CO 0.07 -0.71 0.19 1.03 -0.65 0.00 0.00 174.74 174.67 2qao s ARG 8 N 1.43 3.37 -1.37 2.88 0.52 -1.26 -1.31 118.95 123.21 2qao s ARG 8 Ca 0.04 -0.46 -0.09 0.00 -0.52 0.00 0.00 55.73 54.70 2qao s ARG 8 Cb -0.13 -3.00 0.02 0.00 0.52 0.00 0.00 34.95 32.35 2qao s ARG 8 CO -0.11 0.61 1.16 0.72 0.02 0.00 0.00 175.30 177.70 2qao n HIS 9 N 0.38 -2.82 -1.79 -0.53 8.25 -0.75 -4.90 115.22 113.06 2qao n HIS 9 Ca -0.06 1.01 -0.42 0.00 -0.26 0.00 0.00 57.72 57.99 2qao n HIS 9 Cb 0.51 -4.96 -0.03 0.00 1.12 0.00 0.00 29.99 26.63 2qao n HIS 9 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2qao s ALA 10 N -3.32 3.73 -1.26 -1.41 0.00 0.14 -4.75 121.76 114.88 2qao s ALA 10 Ca 0.57 1.36 -0.12 0.00 0.00 0.00 0.00 51.96 53.76 2qao s ALA 10 Cb -0.25 -3.74 -0.06 0.00 0.00 0.00 0.00 23.12 19.07 2qao s ALA 10 CO 0.74 -1.18 2.37 0.54 0.00 0.00 0.00 175.76 178.23 2qao n ARG 11 N 5.67 2.69 0.00 0.00 5.12 -1.26 -2.51 116.66 126.36 2qao n ARG 11 Ca 0.17 -2.09 0.00 0.00 -1.93 0.00 0.00 57.85 54.00 2qao n ARG 11 Cb 0.39 -2.89 0.00 0.00 -1.16 0.00 0.00 32.46 28.80 2qao n ARG 11 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 2qao n SER 12 N 5.17 0.00 0.00 0.55 2.88 -1.26 -5.08 113.62 115.88 2qao n SER 12 Ca 0.58 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 58.12 2qao n SER 12 Cb 0.29 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.75 2qao n SER 12 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2qao n SER 13 N -1.24 0.00 0.00 -3.46 3.41 -1.25 -4.86 113.62 106.22 2qao n SER 13 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2qao n SER 13 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2qao n SER 13 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2qao n ALA 14 N 0.00 0.00 0.20 7.33 0.00 -1.26 -2.54 120.51 124.24 2qao n ALA 14 Ca 0.00 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.57 2qao n ALA 14 Cb 0.00 0.00 0.68 0.00 0.00 0.00 0.00 19.45 20.13 2qao n ALA 14 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 177.50 176.94 2qao h GLN 15 N 0.00 0.00 0.00 0.00 -0.00 -1.97 0.63 115.11 113.77 2qao h GLN 15 Ca 0.00 0.00 -0.23 0.00 -0.00 0.00 0.00 58.65 58.42 2qao h GLN 15 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 27.48 27.44 2qao h GLN 15 CO 0.00 0.00 -1.31 0.87 -0.00 0.00 0.00 178.83 178.39 2qao h LYS 16 N 0.00 0.00 0.06 0.06 1.57 -1.97 -3.28 116.57 113.01 2qao h LYS 16 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 2qao h LYS 16 Cb 0.12 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2qao h LYS 16 CO 0.00 0.64 -0.72 0.28 -0.57 0.00 0.00 179.45 179.08 2qao h VAL 17 N 0.00 1.41 0.00 0.50 2.07 -0.30 -3.24 116.25 116.69 2qao h VAL 17 Ca -0.15 -2.37 0.00 0.00 0.82 0.00 0.00 66.70 65.00 2qao h VAL 17 Cb 1.81 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 34.57 2qao h VAL 17 CO 0.09 0.60 0.00 -2.11 0.02 0.00 0.00 177.57 176.17 2qao n ARG 18 N -4.32 0.73 -0.01 1.57 1.85 0.96 -1.27 116.66 116.17 2qao n ARG 18 Ca -0.18 0.00 -0.00 0.00 -1.00 0.00 0.00 57.85 56.67 2qao n ARG 18 Cb 0.68 -1.19 -0.03 0.00 -1.05 0.00 0.00 32.46 30.87 2qao n ARG 18 CO 0.00 0.00 0.00 -0.11 -0.01 0.00 0.00 177.63 177.51 2qao n LEU 19 N 0.51 0.00 -0.01 2.89 7.94 -1.22 -4.51 117.00 122.60 2qao n LEU 19 Ca 0.00 0.00 0.07 0.00 -1.11 0.00 0.00 56.01 54.97 2qao n LEU 19 Cb 0.32 0.05 -0.11 0.00 0.53 0.00 0.00 43.42 44.22 2qao n LEU 19 CO 0.00 0.05 -0.56 0.55 -1.11 0.00 0.00 177.39 176.32 2qao n VAL 20 N -1.93 0.00 0.02 1.96 3.14 -0.40 -4.43 118.33 116.70 2qao n VAL 20 Ca -0.04 -0.30 -0.10 0.00 -2.96 0.00 0.00 64.34 60.94 2qao n VAL 20 Cb 0.41 0.31 0.03 0.00 -1.06 0.00 0.00 33.84 33.53 2qao n VAL 20 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qao h ALA 21 N 1.44 0.62 -0.37 1.55 0.00 -1.60 -3.01 119.26 117.89 2qao h ALA 21 Ca 0.00 -0.56 0.07 0.00 0.00 0.00 0.00 54.91 54.41 2qao h ALA 21 Cb 0.61 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2qao h ALA 21 CO 0.00 0.72 0.26 -0.44 0.00 0.00 0.00 179.25 179.78 2qao h ASP 22 N 0.37 0.19 -0.75 0.00 5.19 -1.79 -1.39 116.42 118.24 2qao h ASP 22 Ca -0.02 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 56.42 2qao h ASP 22 Cb 1.21 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 40.64 2qao h ASP 22 CO 0.12 0.12 0.48 -0.07 -3.12 0.00 0.00 179.24 176.77 2qao h LEU 23 N 0.22 0.80 0.00 1.55 3.38 -1.77 -3.32 115.31 116.17 2qao h LEU 23 Ca 0.17 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2qao h LEU 23 Cb 0.39 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2qao h LEU 23 CO -0.03 0.55 0.00 -0.38 0.09 0.00 0.00 178.44 178.68 2qao n ILE 24 N -4.62 0.00 -0.75 1.22 5.41 -0.57 -4.86 119.36 115.19 2qao n ILE 24 Ca 0.08 0.47 0.00 0.00 1.00 0.00 0.00 62.75 64.31 2qao n ILE 24 Cb 0.08 -1.08 0.00 0.00 -0.71 0.00 0.00 39.64 37.93 2qao n ILE 24 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 176.55 175.41 2qao n ARG 25 N -1.24 0.00 0.00 0.38 0.63 -0.90 -2.09 116.66 113.44 2qao n ARG 25 Ca 0.00 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 2qao n ARG 25 Cb 0.00 0.00 0.00 0.00 0.45 0.00 0.00 32.46 32.91 2qao n ARG 25 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2qao n GLY 26 N 0.19 2.39 2.51 5.14 0.00 0.19 -4.98 105.19 110.64 2qao n GLY 26 Ca 0.00 -0.47 -0.09 0.00 0.00 0.00 0.00 46.02 45.46 2qao n GLY 26 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 27 N 0.00 0.00 0.00 1.61 4.01 -0.89 -3.57 118.16 119.32 2qao n LYS 27 Ca 0.00 0.00 0.00 0.00 -0.51 0.00 0.00 58.31 57.80 2qao n LYS 27 Cb 0.00 -0.77 0.00 0.00 -0.51 0.00 0.00 35.03 33.75 2qao n LYS 27 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2qao n LYS 28 N 3.86 0.00 0.00 1.97 4.76 -1.26 -3.32 118.16 124.17 2qao n LYS 28 Ca 0.28 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.72 2qao n LYS 28 Cb 0.24 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.43 2qao n LYS 28 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 2qao n VAL 29 N 0.00 0.00 0.25 -0.18 0.31 -1.24 -0.68 118.33 116.79 2qao n VAL 29 Ca 0.00 0.00 -0.10 0.00 -0.01 0.00 0.00 64.34 64.23 2qao n VAL 29 Cb 0.00 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 32.88 2qao n VAL 29 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 2qao h SER 30 N 0.00 -0.56 0.52 4.52 0.02 -1.83 -2.84 113.55 113.38 2qao h SER 30 Ca 0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 61.79 60.86 2qao h SER 30 Cb 0.00 0.14 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2qao h SER 30 CO 0.00 -0.35 -0.50 1.56 -1.14 0.00 0.00 176.83 176.41 2qao h GLN 31 N -0.76 0.00 -0.22 3.45 1.08 -1.93 -2.44 115.11 114.29 2qao h GLN 31 Ca -0.07 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.13 2qao h GLN 31 Cb 0.50 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.93 2qao h GLN 31 CO 0.11 0.50 0.00 0.00 -0.95 0.00 0.00 178.83 178.49 2qao n ALA 32 N -2.44 1.74 0.00 3.87 0.00 -1.17 -0.62 120.51 121.90 2qao n ALA 32 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qao n ALA 32 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 2qao n ALA 32 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2qao n LEU 33 N -0.07 0.00 0.07 0.00 4.77 -0.93 -4.65 117.00 116.20 2qao n LEU 33 Ca 0.00 0.00 -0.18 0.00 -0.03 0.00 0.00 56.01 55.80 2qao n LEU 33 Cb 0.05 0.00 -0.09 0.00 -2.33 0.00 0.00 43.42 41.05 2qao n LEU 33 CO 0.00 0.00 0.06 0.44 -1.33 0.00 0.00 177.39 176.56 2qao h ASP 34 N 0.00 0.73 -0.33 -1.43 3.45 -0.76 -2.22 116.42 115.86 2qao h ASP 34 Ca 0.00 -0.63 0.02 0.00 0.43 0.00 0.00 57.03 56.85 2qao h ASP 34 Cb 0.50 -0.23 -0.03 0.00 -0.56 0.00 0.00 39.33 39.01 2qao h ASP 34 CO 0.00 1.44 0.17 0.40 -1.57 0.00 0.00 179.24 179.68 2qao h ILE 35 N 0.28 0.99 0.34 0.35 1.08 -1.37 -0.49 117.51 118.68 2qao h ILE 35 Ca -0.13 -0.12 -0.02 0.00 -0.39 0.00 0.00 64.86 64.20 2qao h ILE 35 Cb 1.75 0.61 0.00 0.00 -3.07 0.00 0.00 36.82 36.11 2qao h ILE 35 CO 0.20 0.06 -0.16 -0.07 -0.69 0.00 0.00 178.15 177.49 2qao h LEU 36 N 0.35 -0.38 -1.72 1.44 -0.00 -1.80 -1.98 115.31 111.22 2qao h LEU 36 Ca 0.14 -0.05 0.00 0.00 -0.00 0.00 0.00 57.88 57.97 2qao h LEU 36 Cb 0.04 0.10 0.00 0.00 -0.00 0.00 0.00 40.66 40.80 2qao h LEU 36 CO -0.09 -0.20 0.05 0.71 -0.00 0.00 0.00 178.44 178.92 2qao h THR 37 N -0.55 0.00 -1.89 0.22 1.35 -1.19 -2.58 112.91 108.27 2qao h THR 37 Ca -0.05 0.00 -0.55 0.00 -0.55 0.00 0.00 66.41 65.26 2qao h THR 37 Cb 0.41 0.57 -0.41 0.00 -1.73 0.00 0.00 68.15 66.98 2qao h THR 37 CO 0.08 0.00 -0.81 -1.22 -0.25 0.00 0.00 175.52 173.31 2qao n TYR 38 N -2.43 2.97 -3.17 4.73 4.02 -0.21 -4.90 117.16 118.16 2qao n TYR 38 Ca -0.02 -3.59 -0.02 0.00 -0.01 0.00 0.00 57.90 54.26 2qao n TYR 38 Cb 0.09 -0.35 -0.02 0.00 -0.02 0.00 0.00 39.34 39.05 2qao n TYR 38 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 2qao s THR 39 N -4.33 -0.91 -0.90 -0.72 -4.23 -0.97 -4.85 115.64 98.73 2qao s THR 39 Ca 0.45 -0.28 -0.26 0.00 -1.18 0.00 0.00 61.69 60.42 2qao s THR 39 Cb 0.34 -0.09 -0.14 0.00 1.34 0.00 0.00 72.50 73.95 2qao s THR 39 CO -0.13 -0.08 2.24 0.20 -0.54 0.00 0.00 174.62 176.31 2qao s ASN 40 N 1.65 4.08 -0.30 3.99 -0.87 -1.26 -4.75 114.94 117.48 2qao s ASN 40 Ca 0.18 -0.40 -0.06 0.00 -1.57 0.00 0.00 52.86 51.01 2qao s ASN 40 Cb -0.05 -2.56 0.17 0.00 -0.02 0.00 0.00 41.25 38.79 2qao s ASN 40 CO -0.06 -3.82 0.70 -0.54 -2.57 0.00 0.00 177.10 170.81 2qao s LYS 41 N 8.32 0.50 0.09 -0.60 1.02 -1.26 -5.06 119.74 122.74 2qao s LYS 41 Ca 0.85 1.01 -0.05 0.00 0.02 0.00 0.00 55.97 57.80 2qao s LYS 41 Cb -0.09 0.58 0.10 0.00 -0.52 0.00 0.00 37.83 37.90 2qao s LYS 41 CO 0.09 -0.41 0.54 1.17 -0.92 0.00 0.00 175.35 175.82 2qao n LYS 42 N 5.40 -0.07 -0.39 1.68 4.81 -1.26 0.18 118.16 128.51 2qao n LYS 42 Ca -0.05 0.54 0.32 0.00 -0.87 0.00 0.00 58.31 58.25 2qao n LYS 42 Cb 0.51 -0.80 0.63 0.00 0.02 0.00 0.00 35.03 35.38 2qao n LYS 42 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2qao h ALA 43 N 0.54 2.69 -0.18 3.14 0.00 -1.95 -2.41 119.26 121.09 2qao h ALA 43 Ca 0.13 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.10 2qao h ALA 43 Cb 0.22 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.12 2qao h ALA 43 CO -0.35 -1.18 0.00 0.00 0.00 0.00 0.00 179.25 177.72 2qao n ALA 44 N -2.58 -0.38 0.25 0.00 0.00 0.49 -1.36 120.51 116.93 2qao n ALA 44 Ca 0.31 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.88 2qao n ALA 44 Cb 1.23 0.09 0.53 0.00 0.00 0.00 0.00 19.45 21.30 2qao n ALA 44 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 2qao h VAL 45 N 0.00 0.05 0.07 0.00 -1.51 -1.58 1.49 116.25 114.77 2qao h VAL 45 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 66.70 65.47 2qao h VAL 45 Cb 0.00 0.40 0.00 0.00 -2.13 0.00 0.00 31.29 29.56 2qao h VAL 45 CO 0.00 0.00 -0.03 -0.07 -1.23 0.00 0.00 177.57 176.24 2qao h LEU 46 N 0.00 -0.08 -0.02 4.19 3.38 -1.18 -2.67 115.31 118.93 2qao h LEU 46 Ca 0.07 -0.54 -0.26 0.00 0.09 0.00 0.00 57.88 57.24 2qao h LEU 46 Cb 1.33 0.02 0.02 0.00 0.09 0.00 0.00 40.66 42.12 2qao h LEU 46 CO -0.00 0.59 -1.04 -0.37 0.09 0.00 0.00 178.44 177.71 2qao h VAL 47 N -0.85 1.29 -0.95 1.22 -1.51 0.65 -2.90 116.25 113.21 2qao h VAL 47 Ca -0.01 -2.28 0.26 0.00 -1.23 0.00 0.00 66.70 63.44 2qao h VAL 47 Cb 0.61 2.40 -0.05 0.00 -2.13 0.00 0.00 31.29 32.12 2qao h VAL 47 CO 0.02 0.70 0.66 0.50 -1.23 0.00 0.00 177.57 178.22 2qao h LYS 48 N 0.37 0.15 0.06 5.19 1.63 0.18 0.42 116.57 124.57 2qao h LYS 48 Ca -0.13 -0.01 -0.23 0.00 -0.85 0.00 0.00 60.65 59.44 2qao h LYS 48 Cb 1.69 -0.03 0.02 0.00 -0.60 0.00 0.00 32.23 33.31 2qao h LYS 48 CO 0.20 0.10 -0.92 -0.22 -3.45 0.00 0.00 179.45 175.16 2qao h LYS 49 N 0.15 0.51 -0.00 1.90 3.64 -1.34 -2.94 116.57 118.49 2qao h LYS 49 Ca 0.48 -0.63 -0.00 0.00 -1.27 0.00 0.00 60.65 59.22 2qao h LYS 49 Cb 1.62 0.20 -0.00 0.00 -0.41 0.00 0.00 32.23 33.64 2qao h LYS 49 CO -0.09 1.25 0.00 0.28 -2.27 0.00 0.00 179.45 178.63 2qao h VAL 50 N 0.06 1.08 -0.01 2.00 2.07 -0.27 -2.84 116.25 118.33 2qao h VAL 50 Ca -0.13 -0.23 0.01 0.00 0.82 0.00 0.00 66.70 67.16 2qao h VAL 50 Cb 1.63 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 32.61 2qao h VAL 50 CO 0.18 0.06 -0.16 0.25 0.02 0.00 0.00 177.57 177.92 2qao h LEU 51 N -0.10 -0.50 -3.78 2.57 5.85 -0.46 0.44 115.31 119.33 2qao h LEU 51 Ca 0.00 0.06 -0.07 0.00 0.84 0.00 0.00 57.88 58.71 2qao h LEU 51 Cb 0.10 0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.29 2qao h LEU 51 CO -0.00 -0.15 -0.08 -1.84 -0.34 0.00 0.00 178.44 176.03 2qao n GLU 52 N -3.38 1.10 0.00 1.25 0.28 -1.11 0.62 120.64 119.39 2qao n GLU 52 Ca -0.02 -0.37 0.00 0.00 -0.16 0.00 0.00 57.16 56.61 2qao n GLU 52 Cb 0.12 -1.51 0.00 0.00 1.43 0.00 0.00 31.44 31.48 2qao n GLU 52 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2qao n SER 53 N 2.15 0.00 -0.01 -1.84 2.88 -0.03 -4.71 113.62 112.05 2qao n SER 53 Ca 0.16 -0.60 -0.02 0.00 -1.33 0.00 0.00 58.87 57.08 2qao n SER 53 Cb 0.52 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 63.97 2qao n SER 53 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2qao n ALA 54 N 0.00 2.22 0.05 -1.46 0.00 0.20 -3.91 120.51 117.61 2qao n ALA 54 Ca 0.00 -0.10 0.04 0.00 0.00 0.00 0.00 53.44 53.38 2qao n ALA 54 Cb 0.15 0.45 0.45 0.00 0.00 0.00 0.00 19.45 20.50 2qao n ALA 54 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 2qao h ILE 55 N -0.03 1.10 0.00 0.00 6.09 -0.78 0.59 117.51 124.48 2qao h ILE 55 Ca -0.06 -0.24 -0.04 0.00 -1.37 0.00 0.00 64.86 63.16 2qao h ILE 55 Cb 1.07 0.64 -0.01 0.00 0.47 0.00 0.00 36.82 39.00 2qao h ILE 55 CO -0.02 0.11 -0.46 0.00 -3.07 0.00 0.00 178.15 174.71 2qao h ALA 56 N 1.76 0.78 0.00 0.18 0.00 -1.80 -3.17 119.26 117.01 2qao h ALA 56 Ca 0.12 -0.16 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 2qao h ALA 56 Cb -0.00 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 2qao h ALA 56 CO -0.02 0.21 -0.82 -0.97 0.00 0.00 0.00 179.25 177.64 2qao h ASN 57 N 0.00 0.01 0.00 0.00 -0.00 -0.48 -2.55 115.58 112.57 2qao h ASN 57 Ca -0.01 -0.01 0.00 0.00 -0.00 0.00 0.00 56.30 56.27 2qao h ASN 57 Cb 1.13 -0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.44 2qao h ASN 57 CO 0.02 0.83 0.00 0.00 -0.00 0.00 0.00 177.43 178.27 2qao n ALA 58 N -2.39 2.57 -1.06 1.57 0.00 0.17 -3.41 120.51 117.96 2qao n ALA 58 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.35 2qao n ALA 58 Cb 0.78 -1.22 0.00 0.00 0.00 0.00 0.00 19.45 19.02 2qao n ALA 58 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2qao n GLU 59 N -0.71 0.00 -0.71 0.00 -0.58 -0.97 -2.66 120.64 115.00 2qao n GLU 59 Ca 0.10 0.00 -0.09 0.00 -0.42 0.00 0.00 57.16 56.75 2qao n GLU 59 Cb 0.05 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 30.80 2qao n GLU 59 CO 0.00 0.00 0.00 1.58 -0.48 0.00 0.00 177.13 178.23 2qao n HIS 60 N -1.39 0.07 0.00 -0.32 -0.00 -1.13 -4.61 115.22 107.84 2qao n HIS 60 Ca 0.00 -1.10 0.00 0.00 0.46 0.00 0.00 57.72 57.08 2qao n HIS 60 Cb 0.00 -1.27 0.00 0.00 -0.12 0.00 0.00 29.99 28.60 2qao n HIS 60 CO 0.00 0.00 0.00 0.09 0.46 0.00 0.00 176.34 176.89 2qao n ASN 61 N 2.70 0.00 -4.43 0.26 5.03 -1.22 -4.98 115.26 112.63 2qao n ASN 61 Ca 0.31 0.00 -0.47 0.00 0.87 0.00 0.00 54.58 55.29 2qao n ASN 61 Cb 0.62 0.00 -0.02 0.00 -1.02 0.00 0.00 39.78 39.36 2qao n ASN 61 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 2qao n ASP 62 N 0.00 -0.91 0.00 6.41 8.00 -1.25 -4.61 116.55 124.19 2qao n ASP 62 Ca 0.00 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.60 2qao n ASP 62 Cb 0.00 -1.01 0.00 0.00 -0.02 0.00 0.00 41.12 40.09 2qao n ASP 62 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2qao n GLY 63 N 1.88 0.79 3.79 0.44 0.00 -1.26 -3.95 105.19 106.87 2qao n GLY 63 Ca 0.16 -0.72 -0.04 0.00 0.00 0.00 0.00 46.02 45.41 2qao n GLY 63 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2qao s ALA 64 N -1.31 -1.51 0.61 4.61 0.00 -1.09 -4.62 121.76 118.44 2qao s ALA 64 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.91 2qao s ALA 64 Cb 0.00 0.70 0.00 0.00 0.00 0.00 0.00 23.12 23.82 2qao s ALA 64 CO 0.00 -1.04 0.00 -3.47 0.00 0.00 0.00 175.76 171.25 2qao n ASP 65 N -0.56 -7.87 0.00 0.00 2.03 -1.26 -4.92 116.55 103.96 2qao n ASP 65 Ca -0.05 1.40 0.00 0.00 0.52 0.00 0.00 54.79 56.66 2qao n ASP 65 Cb 0.60 -4.90 0.00 0.00 -0.72 0.00 0.00 41.12 36.10 2qao n ASP 65 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2qao n ILE 66 N -4.32 0.00 0.16 5.18 -0.00 -1.26 -4.71 119.36 114.41 2qao n ILE 66 Ca -0.09 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 62.71 2qao n ILE 66 Cb 0.68 -0.66 0.28 0.00 -0.00 0.00 0.00 39.64 39.94 2qao n ILE 66 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2qao n ASP 67 N -1.76 0.26 -0.09 7.28 8.00 -1.26 0.46 116.55 129.45 2qao n ASP 67 Ca 0.00 0.49 0.01 0.00 0.71 0.00 0.00 54.79 56.00 2qao n ASP 67 Cb 0.37 -0.39 0.01 0.00 -0.02 0.00 0.00 41.12 41.09 2qao n ASP 67 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 2qao n ASP 68 N -1.97 1.45 -4.74 -2.24 5.75 -1.26 -5.03 116.55 108.51 2qao n ASP 68 Ca -0.01 -1.34 -0.40 0.00 -0.01 0.00 0.00 54.79 53.04 2qao n ASP 68 Cb 0.40 -0.01 -0.05 0.00 -1.03 0.00 0.00 41.12 40.43 2qao n ASP 68 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 2qao s LEU 69 N -0.40 4.44 -0.01 -2.12 1.02 0.17 -4.62 118.68 117.16 2qao s LEU 69 Ca 0.03 1.44 0.05 0.00 0.02 0.00 0.00 54.13 55.67 2qao s LEU 69 Cb 0.02 -3.23 -0.01 0.00 0.02 0.00 0.00 46.19 42.99 2qao s LEU 69 CO 0.03 0.01 -0.15 -1.59 0.02 0.00 0.00 176.35 174.66 2qao s LYS 70 N -0.01 1.28 -1.03 1.70 -2.85 0.16 -3.68 119.74 115.30 2qao s LYS 70 Ca 0.39 -0.55 -0.24 0.00 -1.00 0.00 0.00 55.97 54.57 2qao s LYS 70 Cb -0.20 -1.23 -0.06 0.00 -2.06 0.00 0.00 37.83 34.28 2qao s LYS 70 CO 0.23 0.33 1.92 0.54 0.10 0.00 0.00 175.35 178.46 2qao s VAL 71 N -0.34 3.52 0.20 1.79 0.11 0.14 0.83 120.40 126.66 2qao s VAL 71 Ca 0.05 -0.65 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 2qao s VAL 71 Cb -0.06 -4.30 0.13 0.00 -1.53 0.00 0.00 36.38 30.61 2qao s VAL 71 CO -0.00 -1.03 1.76 0.71 -3.33 0.00 0.00 175.10 173.21 2qao h THR 72 N 6.76 0.83 -4.00 5.04 1.35 -1.33 0.57 112.91 122.13 2qao h THR 72 Ca 0.16 -0.15 -0.20 0.00 -0.55 0.00 0.00 66.41 65.67 2qao h THR 72 Cb 0.97 0.34 -0.19 0.00 -1.73 0.00 0.00 68.15 67.54 2qao h THR 72 CO 1.23 0.08 -0.71 -0.54 -0.25 0.00 0.00 175.52 175.33 2qao s LYS 73 N -6.10 0.48 -0.11 4.72 -0.14 -0.85 -4.55 119.74 113.19 2qao s LYS 73 Ca -0.13 -0.83 -0.13 0.00 -1.36 0.00 0.00 55.97 53.52 2qao s LYS 73 Cb 0.16 -0.02 0.03 0.00 -1.68 0.00 0.00 37.83 36.32 2qao s LYS 73 CO 0.74 -0.03 0.35 -1.50 -0.76 0.00 0.00 175.35 174.16 2qao s ILE 74 N -2.07 0.01 -0.28 2.17 1.10 -1.26 -0.96 121.20 119.91 2qao s ILE 74 Ca -0.08 -0.10 -0.29 0.00 -0.51 0.00 0.00 60.65 59.68 2qao s ILE 74 Cb -0.05 -0.53 0.19 0.00 0.15 0.00 0.00 42.46 42.21 2qao s ILE 74 CO -0.03 -0.06 1.34 0.72 -2.11 0.00 0.00 174.94 174.81 2qao s PHE 75 N -0.15 -0.07 0.05 3.50 -0.71 -0.88 -5.02 117.98 114.70 2qao s PHE 75 Ca -0.03 0.13 0.06 0.00 -1.04 0.00 0.00 56.93 56.05 2qao s PHE 75 Cb -0.03 0.49 -0.03 0.00 -1.21 0.00 0.00 43.02 42.24 2qao s PHE 75 CO 0.01 -0.06 -0.17 0.14 -1.34 0.00 0.00 175.22 173.80 2qao s VAL 76 N -0.87 1.39 0.20 -2.49 -7.23 -1.26 -0.65 120.40 109.48 2qao s VAL 76 Ca 0.08 -1.17 0.09 0.00 -1.81 0.00 0.00 61.98 59.16 2qao s VAL 76 Cb -0.01 -1.25 -0.04 0.00 0.56 0.00 0.00 36.38 35.63 2qao s VAL 76 CO -0.08 0.05 -0.17 -1.81 -0.31 0.00 0.00 175.10 172.78 2qao s ASP 77 N -1.31 2.78 0.18 4.85 1.11 -1.13 -4.88 116.67 118.27 2qao s ASP 77 Ca 0.04 -0.95 -0.32 0.00 0.18 0.00 0.00 52.55 51.51 2qao s ASP 77 Cb -0.09 -0.17 -0.11 0.00 1.07 0.00 0.00 42.92 43.62 2qao s ASP 77 CO 0.02 -0.08 1.71 -1.61 1.18 0.00 0.00 175.17 176.39 2qao s GLU 78 N -3.23 4.15 0.36 8.23 2.02 -1.26 -0.77 118.70 128.19 2qao s GLU 78 Ca 0.20 2.55 0.08 0.00 0.02 0.00 0.00 54.97 57.82 2qao s GLU 78 Cb -0.04 -3.20 -0.03 0.00 0.10 0.00 0.00 34.13 30.97 2qao s GLU 78 CO 0.08 -0.74 0.27 0.20 0.02 0.00 0.00 175.26 175.09 2qao s GLY 79 N 1.48 1.93 -0.87 -1.39 0.00 0.06 -4.80 107.32 103.73 2qao s GLY 79 Ca 0.75 -1.77 -0.19 0.00 0.00 0.00 0.00 44.72 43.51 2qao s GLY 79 CO 0.33 -1.67 2.32 -1.05 0.00 0.00 0.00 173.10 173.03 2qao n PRO 80 N -1.36 0.32 -2.03 2.90 -0.02 -1.26 -3.92 135.00 129.63 2qao n PRO 80 Ca -0.01 -0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 60.66 2qao n PRO 80 Cb 0.61 -2.42 -0.03 0.00 -0.02 0.00 0.00 33.50 31.64 2qao n PRO 80 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 2qao s SER 81 N 6.22 6.68 0.23 2.55 1.04 -1.26 -4.44 113.70 124.72 2qao s SER 81 Ca 1.12 2.49 -0.30 0.00 0.48 0.00 0.00 55.95 59.74 2qao s SER 81 Cb -0.50 -2.59 -0.09 0.00 0.10 0.00 0.00 66.02 62.94 2qao s SER 81 CO 0.32 -0.76 1.20 -0.04 0.98 0.00 0.00 173.24 174.95 2qao s MET 82 N 1.23 4.49 0.13 4.02 -1.94 0.11 -4.79 119.30 122.55 2qao s MET 82 Ca 0.68 1.93 -0.12 0.00 -1.71 0.00 0.00 55.69 56.46 2qao s MET 82 Cb -0.41 -3.20 -0.07 0.00 2.01 0.00 0.00 34.83 33.17 2qao s MET 82 CO 0.31 -0.05 0.50 0.15 -0.01 0.00 0.00 175.02 175.91 2qao s LYS 83 N -0.71 3.89 0.00 2.03 -0.14 -1.26 0.16 119.74 123.71 2qao s LYS 83 Ca 0.51 0.37 0.00 0.00 -1.36 0.00 0.00 55.97 55.48 2qao s LYS 83 Cb -0.34 -2.94 0.00 0.00 -1.68 0.00 0.00 37.83 32.87 2qao s LYS 83 CO 0.40 0.50 0.00 -2.13 -0.76 0.00 0.00 175.35 173.36 2qao n ARG 84 N 0.78 0.00 -3.79 1.68 3.00 -1.02 -4.92 116.66 112.39 2qao n ARG 84 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 57.85 57.66 2qao n ARG 84 Cb 0.52 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.85 2qao n ARG 84 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2qao s ILE 85 N -2.48 -0.01 -0.22 5.15 1.01 -1.25 -4.45 121.20 118.95 2qao s ILE 85 Ca 0.00 0.04 0.01 0.00 0.00 0.00 0.00 60.65 60.70 2qao s ILE 85 Cb 0.00 -0.26 0.05 0.00 0.01 0.00 0.00 42.46 42.26 2qao s ILE 85 CO 0.00 0.02 -0.09 -0.04 0.00 0.00 0.00 174.94 174.83 2qao s MET 86 N 0.37 1.93 0.16 2.79 -1.94 -0.19 -4.92 119.30 117.50 2qao s MET 86 Ca -0.02 -0.95 -0.31 0.00 -1.71 0.00 0.00 55.69 52.69 2qao s MET 86 Cb -0.04 -2.53 -0.11 0.00 2.01 0.00 0.00 34.83 34.16 2qao s MET 86 CO -0.02 -0.50 1.78 -2.14 -0.01 0.00 0.00 175.02 174.14 2qao s PRO 87 N 1.36 4.13 0.42 2.03 0.02 -1.26 -1.06 135.00 140.64 2qao s PRO 87 Ca -0.04 2.60 0.07 0.00 0.02 0.00 0.00 61.00 63.65 2qao s PRO 87 Cb -0.18 -3.36 -0.07 0.00 0.02 0.00 0.00 34.50 30.92 2qao s PRO 87 CO -0.07 -0.80 0.06 1.03 -0.33 0.00 0.00 177.00 176.88 2qao s ARG 88 N 2.03 2.05 0.57 5.54 3.00 0.26 -4.94 118.95 127.45 2qao s ARG 88 Ca 0.78 -2.06 -0.20 0.00 0.00 0.00 0.00 55.73 54.25 2qao s ARG 88 Cb -0.48 -1.73 -0.04 0.00 0.00 0.00 0.00 34.95 32.71 2qao s ARG 88 CO 0.34 -0.09 1.28 0.00 0.00 0.00 0.00 175.30 176.83 2qao s ALA 89 N -2.69 2.67 -1.56 2.13 0.00 -1.26 -2.93 121.76 118.11 2qao s ALA 89 Ca 0.35 1.18 0.00 0.00 0.00 0.00 0.00 51.96 53.49 2qao s ALA 89 Cb 0.08 -3.52 0.00 0.00 0.00 0.00 0.00 23.12 19.68 2qao s ALA 89 CO 0.18 -1.29 0.00 1.63 0.00 0.00 0.00 175.76 176.28 2qao n LYS 90 N -1.31 -1.11 0.00 0.00 5.02 -1.26 -3.00 118.16 116.50 2qao n LYS 90 Ca 0.12 0.97 0.00 0.00 -2.02 0.00 0.00 58.31 57.38 2qao n LYS 90 Cb 0.47 -5.17 0.00 0.00 -0.02 0.00 0.00 35.03 30.31 2qao n LYS 90 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2qao n GLY 91 N -1.07 3.21 3.65 0.72 0.00 -1.15 -5.04 105.19 105.50 2qao n GLY 91 Ca -0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.49 2qao n GLY 91 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao n ARG 92 N -2.00 0.78 -4.37 1.61 1.74 -1.16 -4.69 116.66 108.57 2qao n ARG 92 Ca 0.00 0.32 -0.21 0.00 -0.77 0.00 0.00 57.85 57.18 2qao n ARG 92 Cb 0.00 -2.29 -0.11 0.00 -1.02 0.00 0.00 32.46 29.05 2qao n ARG 92 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2qao s ALA 93 N -1.61 2.17 0.08 7.54 0.00 -1.26 0.90 121.76 129.57 2qao s ALA 93 Ca 0.77 -1.62 0.06 0.00 0.00 0.00 0.00 51.96 51.18 2qao s ALA 93 Cb -0.38 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.54 2qao s ALA 93 CO 0.46 0.20 -0.17 -0.51 0.00 0.00 0.00 175.76 175.74 2qao s ASP 94 N -3.01 2.05 0.11 0.00 1.01 -0.22 -4.90 116.67 111.70 2qao s ASP 94 Ca 0.21 -0.61 -0.26 0.00 0.71 0.00 0.00 52.55 52.60 2qao s ASP 94 Cb -0.04 -0.10 -0.07 0.00 1.01 0.00 0.00 42.92 43.71 2qao s ASP 94 CO 0.08 0.01 1.65 -0.09 0.21 0.00 0.00 175.17 177.03 2qao h ARG 95 N 4.35 -0.36 -5.66 8.23 9.65 -1.90 -0.49 114.38 128.21 2qao h ARG 95 Ca -0.43 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.48 2qao h ARG 95 Cb 1.18 0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.83 2qao h ARG 95 CO 0.41 -0.24 -0.24 1.51 2.80 0.00 0.00 179.97 184.20 2qao n ILE 96 N -5.34 -2.80 -4.10 1.20 3.06 -1.26 -3.21 119.36 106.91 2qao n ILE 96 Ca -0.06 0.46 -0.35 0.00 -2.50 0.00 0.00 62.75 60.31 2qao n ILE 96 Cb 0.25 -3.00 -0.09 0.00 0.54 0.00 0.00 39.64 37.34 2qao n ILE 96 CO 0.00 0.00 0.00 -0.76 -2.50 0.00 0.00 176.55 173.29 2qao s LEU 97 N -0.10 3.80 -0.99 9.51 1.02 -1.26 -2.44 118.68 128.22 2qao s LEU 97 Ca -0.04 0.13 -0.06 0.00 0.02 0.00 0.00 54.13 54.18 2qao s LEU 97 Cb 0.00 -1.93 0.25 0.00 0.02 0.00 0.00 46.19 44.53 2qao s LEU 97 CO 0.11 0.25 0.93 -0.54 0.02 0.00 0.00 176.35 177.11 2qao s LYS 98 N -0.10 3.71 0.60 1.70 1.02 0.12 -4.92 119.74 121.88 2qao s LYS 98 Ca 0.06 -3.20 -0.18 0.00 0.02 0.00 0.00 55.97 52.68 2qao s LYS 98 Cb -0.12 -4.26 -0.03 0.00 -0.52 0.00 0.00 37.83 32.90 2qao s LYS 98 CO 0.01 -1.25 1.17 -0.98 -0.92 0.00 0.00 175.35 173.38 2qao s ARG 99 N -1.21 2.97 0.38 1.68 1.70 -1.26 0.05 118.95 123.26 2qao s ARG 99 Ca 0.28 1.71 0.05 0.00 -0.47 0.00 0.00 55.73 57.30 2qao s ARG 99 Cb -0.09 -1.94 -0.06 0.00 -0.57 0.00 0.00 34.95 32.28 2qao s ARG 99 CO -0.10 -1.18 0.04 0.95 -1.08 0.00 0.00 175.30 173.94 2qao s THR 100 N -1.78 1.42 0.19 4.99 -4.23 -1.25 -3.87 115.64 111.12 2qao s THR 100 Ca 0.75 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 2qao s THR 100 Cb -0.27 -2.78 -0.05 0.00 1.34 0.00 0.00 72.50 70.74 2qao s THR 100 CO 0.34 0.00 0.06 -0.94 -0.54 0.00 0.00 174.62 173.53 2qao s SER 101 N -3.60 0.87 -0.64 3.99 1.04 -1.05 -0.76 113.70 113.55 2qao s SER 101 Ca 0.33 -1.27 0.05 0.00 0.48 0.00 0.00 55.95 55.53 2qao s SER 101 Cb 0.08 0.20 0.18 0.00 0.10 0.00 0.00 66.02 66.58 2qao s SER 101 CO 0.15 -0.69 0.49 1.41 0.98 0.00 0.00 173.24 175.59 2qao n HIS 102 N -0.28 2.45 -1.95 5.02 8.25 0.05 -0.69 115.22 128.07 2qao n HIS 102 Ca -0.03 -4.10 -0.41 0.00 -0.26 0.00 0.00 57.72 52.91 2qao n HIS 102 Cb 0.65 -0.45 -0.02 0.00 1.12 0.00 0.00 29.99 31.28 2qao n HIS 102 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 2qao s ILE 103 N -1.28 2.51 -0.12 1.59 1.01 -0.43 -2.82 121.20 121.66 2qao s ILE 103 Ca 0.28 0.43 -0.03 0.00 0.00 0.00 0.00 60.65 61.33 2qao s ILE 103 Cb -0.00 -3.27 0.04 0.00 0.01 0.00 0.00 42.46 39.24 2qao s ILE 103 CO -0.16 0.07 0.04 -0.89 0.00 0.00 0.00 174.94 174.00 2qao s THR 104 N 0.09 0.19 -0.04 2.92 2.01 0.17 -0.25 115.64 120.73 2qao s THR 104 Ca 0.61 -0.05 -0.01 0.00 0.31 0.00 0.00 61.69 62.55 2qao s THR 104 Cb -0.43 -0.59 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 2qao s THR 104 CO 0.43 -0.01 0.03 -0.69 -0.69 0.00 0.00 174.62 173.69 2qao s VAL 105 N 2.03 4.43 -0.35 3.82 1.01 -0.41 -2.08 120.40 128.84 2qao s VAL 105 Ca 0.03 -0.37 -0.00 0.00 0.00 0.00 0.00 61.98 61.63 2qao s VAL 105 Cb -0.14 -2.94 0.13 0.00 0.00 0.00 0.00 36.38 33.43 2qao s VAL 105 CO -0.06 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.02 2qao s VAL 106 N -1.03 0.31 0.10 2.92 1.01 -0.13 -2.11 120.40 121.47 2qao s VAL 106 Ca 0.18 -1.71 -0.21 0.00 0.00 0.00 0.00 61.98 60.23 2qao s VAL 106 Cb -0.12 -1.24 -0.07 0.00 0.00 0.00 0.00 36.38 34.96 2qao s VAL 106 CO 0.08 -0.94 0.64 0.54 0.00 0.00 0.00 175.10 175.42 2qao s VAL 107 N 1.11 4.63 0.33 2.92 0.11 -1.24 -0.97 120.40 127.28 2qao s VAL 107 Ca 0.17 1.38 0.08 0.00 -2.93 0.00 0.00 61.98 60.68 2qao s VAL 107 Cb -0.22 -3.98 -0.03 0.00 -1.53 0.00 0.00 36.38 30.62 2qao s VAL 107 CO -0.04 0.53 0.28 -0.24 -3.33 0.00 0.00 175.10 172.31 2qao n SER 108 N 1.76 -0.72 0.00 3.54 2.88 0.24 -4.35 113.62 116.97 2qao n SER 108 Ca -0.09 -3.17 0.00 0.00 -1.33 0.00 0.00 58.87 54.28 2qao n SER 108 Cb 0.50 1.68 0.00 0.00 -0.75 0.00 0.00 64.21 65.64 2qao n SER 108 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 2qao n ASP 109 N -1.69 0.00 0.00 -3.46 9.92 -1.22 0.35 116.55 120.45 2qao n ASP 109 Ca 0.08 0.15 0.00 0.00 -0.53 0.00 0.00 54.79 54.49 2qao n ASP 109 Cb 0.60 -0.17 0.00 0.00 -0.64 0.00 0.00 41.12 40.91 2qao n ASP 109 CO 0.00 0.00 0.00 -1.14 0.13 0.00 0.00 177.20 176.19