#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao n GLN 2 N 0.00 0.00 -1.83 2.12 1.13 -1.26 0.00 117.38 117.55 2qao n GLN 2 Ca 0.00 0.17 0.00 0.00 -1.94 0.00 0.00 57.00 55.23 2qao n GLN 2 Cb 0.00 -0.60 0.00 0.00 0.11 0.00 0.00 30.24 29.75 2qao n GLN 2 CO 0.00 0.00 0.00 1.33 -1.44 0.00 0.00 177.06 176.95 2qao n VAL 3 N -1.93 -5.25 -2.81 5.09 0.24 -1.26 -3.60 118.33 108.81 2qao n VAL 3 Ca 0.00 2.43 -0.42 0.00 -2.04 0.00 0.00 64.34 64.31 2qao n VAL 3 Cb 0.00 -3.20 -0.03 0.00 -1.47 0.00 0.00 33.84 29.14 2qao n VAL 3 CO 0.00 0.00 0.00 -0.63 -2.14 0.00 0.00 176.83 174.06 2qao s ILE 4 N -2.44 4.80 0.94 1.34 1.09 0.17 -3.61 121.20 123.50 2qao s ILE 4 Ca 0.00 1.76 -0.12 0.00 -1.10 0.00 0.00 60.65 61.19 2qao s ILE 4 Cb 0.00 -4.19 0.09 0.00 -1.06 0.00 0.00 42.46 37.30 2qao s ILE 4 CO 0.00 -0.07 0.74 0.18 -0.10 0.00 0.00 174.94 175.69 2qao n LEU 5 N 5.77 1.27 -0.01 2.97 4.77 0.26 -2.50 117.00 129.54 2qao n LEU 5 Ca 0.07 0.35 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 2qao n LEU 5 Cb 0.48 -1.32 0.00 0.00 -2.33 0.00 0.00 43.42 40.24 2qao n LEU 5 CO 0.49 -2.98 0.31 0.18 -1.33 0.00 0.00 177.39 174.07 2qao n LEU 6 N -2.68 0.50 0.00 2.23 4.32 -0.65 -2.02 117.00 118.69 2qao n LEU 6 Ca 0.09 -0.52 0.00 0.00 -0.02 0.00 0.00 56.01 55.55 2qao n LEU 6 Cb 0.53 -0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.33 2qao n LEU 6 CO 0.50 0.13 0.00 -0.67 -1.22 0.00 0.00 177.39 176.13 2qao n ASP 7 N -0.13 2.76 -0.02 -1.43 2.03 -1.26 -4.55 116.55 113.96 2qao n ASP 7 Ca 0.00 0.00 -0.21 0.00 0.52 0.00 0.00 54.79 55.10 2qao n ASP 7 Cb 0.45 0.00 -0.13 0.00 -0.72 0.00 0.00 41.12 40.71 2qao n ASP 7 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 2qao h LYS 8 N 0.00 0.19 -3.97 -0.67 3.64 -1.90 0.51 116.57 114.37 2qao h LYS 8 Ca 0.00 -0.33 -0.05 0.00 -1.27 0.00 0.00 60.65 59.00 2qao h LYS 8 Cb 0.00 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 2qao h LYS 8 CO 0.00 1.16 -0.56 0.28 -2.27 0.00 0.00 179.45 178.06 2qao n VAL 9 N -3.92 -1.30 0.00 2.00 0.31 -1.26 -2.11 118.33 112.06 2qao n VAL 9 Ca -0.29 0.20 0.00 0.00 -0.01 0.00 0.00 64.34 64.25 2qao n VAL 9 Cb 0.89 -1.64 0.00 0.00 -0.91 0.00 0.00 33.84 32.18 2qao n VAL 9 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2qao n ALA 10 N 0.66 0.00 0.32 3.52 0.00 -1.26 0.17 120.51 123.92 2qao n ALA 10 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2qao n ALA 10 Cb 0.29 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.74 2qao n ALA 10 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2qao n ASN 11 N 0.00 0.78 0.00 0.00 4.13 -1.26 -4.10 115.26 114.81 2qao n ASN 11 Ca 0.00 -0.64 0.00 0.00 1.68 0.00 0.00 54.58 55.62 2qao n ASN 11 Cb 0.00 -0.16 0.00 0.00 -1.54 0.00 0.00 39.78 38.08 2qao n ASN 11 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2qao n LEU 12 N 0.70 0.00 -3.75 3.41 -0.00 0.13 -5.17 117.00 112.32 2qao n LEU 12 Ca 0.00 0.00 -0.13 0.00 -0.00 0.00 0.00 56.01 55.88 2qao n LEU 12 Cb 0.14 0.00 -0.10 0.00 -0.00 0.00 0.00 43.42 43.46 2qao n LEU 12 CO 0.00 0.00 0.04 -0.83 -0.00 0.00 0.00 177.39 176.60 2qao s GLY 13 N 0.00 -0.25 0.00 1.47 0.00 -0.90 -4.33 107.32 103.32 2qao s GLY 13 Ca 0.00 0.83 0.00 0.00 0.00 0.00 0.00 44.72 45.55 2qao s GLY 13 CO 0.00 0.66 0.55 1.44 0.00 0.00 0.00 173.10 175.75 2qao n SER 14 N 2.34 0.00 -1.45 1.64 7.64 -0.23 -4.85 113.62 118.70 2qao n SER 14 Ca -0.16 -1.17 -0.10 0.00 1.01 0.00 0.00 58.87 58.45 2qao n SER 14 Cb 0.57 -0.03 -0.04 0.00 -1.01 0.00 0.00 64.21 63.70 2qao n SER 14 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2qao n LEU 15 N 0.00 -0.77 0.00 -3.43 -0.00 0.00 -4.47 117.00 108.33 2qao n LEU 15 Ca 0.00 0.25 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 2qao n LEU 15 Cb 0.53 -1.70 0.00 0.00 -0.00 0.00 0.00 43.42 42.25 2qao n LEU 15 CO 0.00 -0.48 0.00 0.61 -0.00 0.00 0.00 177.39 177.52 2qao n GLY 16 N -0.27 0.47 3.64 -3.96 0.00 -0.86 -4.66 105.19 99.56 2qao n GLY 16 Ca -0.10 0.26 -0.05 0.00 0.00 0.00 0.00 46.02 46.13 2qao n GLY 16 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2qao s ASP 17 N 0.00 -0.33 0.12 1.61 3.68 -1.23 -4.84 116.67 115.68 2qao s ASP 17 Ca 0.00 0.60 -0.23 0.00 2.13 0.00 0.00 52.55 55.04 2qao s ASP 17 Cb 0.00 0.74 -0.07 0.00 -1.45 0.00 0.00 42.92 42.14 2qao s ASP 17 CO 0.00 -0.10 0.71 -1.10 0.13 0.00 0.00 175.17 174.81 2qao s GLN 18 N 0.44 4.44 -0.24 4.34 -0.21 -1.26 0.92 119.66 128.10 2qao s GLN 18 Ca 0.01 1.01 -0.14 0.00 0.02 0.00 0.00 55.36 56.27 2qao s GLN 18 Cb -0.05 -3.27 0.07 0.00 1.00 0.00 0.00 33.01 30.77 2qao s GLN 18 CO -0.11 0.56 0.59 0.14 -2.12 0.00 0.00 175.29 174.35 2qao s VAL 19 N -0.99 -0.01 -0.11 1.09 -7.23 -1.24 -4.97 120.40 106.94 2qao s VAL 19 Ca 0.34 0.03 -0.29 0.00 -1.81 0.00 0.00 61.98 60.25 2qao s VAL 19 Cb -0.22 -0.86 -0.05 0.00 0.56 0.00 0.00 36.38 35.81 2qao s VAL 19 CO 0.23 0.01 1.70 0.21 -0.31 0.00 0.00 175.10 176.95 2qao s ASN 20 N 1.56 6.47 0.05 4.85 3.84 -1.26 -4.34 114.94 126.11 2qao s ASN 20 Ca -0.10 2.04 -0.00 0.00 0.21 0.00 0.00 52.86 55.01 2qao s ASN 20 Cb -0.06 -2.53 -0.03 0.00 -0.55 0.00 0.00 41.25 38.07 2qao s ASN 20 CO -0.17 -1.12 -0.04 0.54 -2.79 0.00 0.00 177.10 173.52 2qao s VAL 21 N 4.75 0.28 0.22 -5.21 0.11 0.10 -4.99 120.40 115.65 2qao s VAL 21 Ca 0.76 -1.51 -0.31 0.00 -2.93 0.00 0.00 61.98 57.99 2qao s VAL 21 Cb -0.31 -1.10 -0.11 0.00 -1.53 0.00 0.00 36.38 33.32 2qao s VAL 21 CO 0.31 -0.79 1.63 -0.54 -3.33 0.00 0.00 175.10 172.38 2qao s LYS 22 N -3.01 4.16 0.35 1.54 1.02 -1.26 -3.86 119.74 118.68 2qao s LYS 22 Ca -0.00 2.52 0.21 0.00 0.02 0.00 0.00 55.97 58.71 2qao s LYS 22 Cb 0.01 -3.09 1.13 0.00 -0.52 0.00 0.00 37.83 35.37 2qao s LYS 22 CO -0.06 -0.67 1.61 0.00 -0.92 0.00 0.00 175.35 175.32 2qao h ALA 23 N 6.26 1.06 0.00 5.17 0.00 -1.90 0.61 119.26 130.46 2qao h ALA 23 Ca -0.44 0.00 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 2qao h ALA 23 Cb 1.21 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2qao h ALA 23 CO 0.90 -0.06 -0.43 0.78 0.00 0.00 0.00 179.25 180.44 2qao h GLY 24 N 0.00 0.00 1.94 0.00 0.00 -1.95 -2.82 103.07 100.23 2qao h GLY 24 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.14 2qao h GLY 24 CO 0.00 0.00 -0.91 -1.82 0.00 0.00 0.00 176.54 173.81 2qao h TYR 25 N 0.00 0.00 -1.19 5.60 5.03 -0.14 -3.41 116.97 122.85 2qao h TYR 25 Ca -0.00 0.00 -0.47 0.00 2.58 0.00 0.00 58.73 60.84 2qao h TYR 25 Cb 1.20 0.00 0.03 0.00 1.55 0.00 0.00 36.73 39.52 2qao h TYR 25 CO 0.00 0.86 -0.10 0.00 -1.32 0.00 0.00 178.16 177.60 2qao s ALA 26 N -2.77 4.50 -0.75 1.82 0.00 -0.99 -0.40 121.76 123.17 2qao s ALA 26 Ca 0.01 -1.95 -0.06 0.00 0.00 0.00 0.00 51.96 49.96 2qao s ALA 26 Cb 0.09 -1.60 0.06 0.00 0.00 0.00 0.00 23.12 21.67 2qao s ALA 26 CO 0.80 -0.81 0.20 0.54 0.00 0.00 0.00 175.76 176.49 2qao n ARG 27 N -2.24 -2.57 0.00 0.00 5.12 -1.26 -4.22 116.66 111.49 2qao n ARG 27 Ca 0.14 0.22 0.00 0.00 -1.93 0.00 0.00 57.85 56.27 2qao n ARG 27 Cb 0.61 -4.79 0.00 0.00 -1.16 0.00 0.00 32.46 27.12 2qao n ARG 27 CO 0.00 0.00 0.00 0.09 -1.93 0.00 0.00 177.63 175.79 2qao n ASN 28 N -1.87 0.00 0.10 0.55 5.03 -1.26 -4.99 115.26 112.82 2qao n ASN 28 Ca -0.01 0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.44 2qao n ASN 28 Cb 0.52 0.00 0.00 0.00 -1.02 0.00 0.00 39.78 39.28 2qao n ASN 28 CO 0.00 0.00 0.00 0.33 -1.83 0.00 0.00 177.26 175.76 2qao n PHE 29 N 0.00 -3.30 0.00 3.10 7.35 -1.12 -4.90 117.46 118.58 2qao n PHE 29 Ca 0.00 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.37 2qao n PHE 29 Cb 0.00 1.96 0.00 0.00 0.35 0.00 0.00 39.48 41.79 2qao n PHE 29 CO 0.00 0.00 0.00 1.28 -0.76 0.00 0.00 176.76 177.28 2qao n LEU 30 N -2.86 0.00 0.00 -2.13 4.77 0.47 -4.18 117.00 113.07 2qao n LEU 30 Ca 0.00 0.14 0.00 0.00 -0.03 0.00 0.00 56.01 56.12 2qao n LEU 30 Cb 0.00 -0.14 0.00 0.00 -2.33 0.00 0.00 43.42 40.95 2qao n LEU 30 CO 0.00 -0.14 0.00 0.52 -1.33 0.00 0.00 177.39 176.44 2qao n VAL 31 N -1.14 0.00 -1.86 4.08 0.31 -1.26 -0.16 118.33 118.30 2qao n VAL 31 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2qao n VAL 31 Cb 0.00 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 32.93 2qao n VAL 31 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 2qao n PRO 32 N 0.00 -0.54 0.00 5.55 -0.02 -1.26 -3.46 135.00 135.27 2qao n PRO 32 Ca 0.00 -0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.23 2qao n PRO 32 Cb 0.00 0.45 0.00 0.00 -0.02 0.00 0.00 33.50 33.93 2qao n PRO 32 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2qao n GLN 33 N -0.48 0.00 -2.34 -0.52 7.27 -1.26 -4.67 117.38 115.39 2qao n GLN 33 Ca 0.00 0.00 -0.05 0.00 0.07 0.00 0.00 57.00 57.02 2qao n GLN 33 Cb 0.00 0.00 0.01 0.00 2.41 0.00 0.00 30.24 32.66 2qao n GLN 33 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2qao n GLY 34 N 0.00 -1.08 0.00 1.69 0.00 -1.22 -5.01 105.19 99.57 2qao n GLY 34 Ca 0.00 0.74 0.00 0.00 0.00 0.00 0.00 46.02 46.76 2qao n GLY 34 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 35 N -0.39 0.00 -3.93 1.61 4.76 -1.23 -4.96 118.16 114.02 2qao n LYS 35 Ca 0.07 0.00 -0.00 0.00 -2.87 0.00 0.00 58.31 55.51 2qao n LYS 35 Cb 0.29 -0.01 0.01 0.00 -1.84 0.00 0.00 35.03 33.49 2qao n LYS 35 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2qao s ALA 36 N 0.00 -2.03 -0.28 7.82 0.00 0.77 -1.64 121.76 126.40 2qao s ALA 36 Ca 0.00 -0.13 -0.18 0.00 0.00 0.00 0.00 51.96 51.65 2qao s ALA 36 Cb 0.00 0.81 0.10 0.00 0.00 0.00 0.00 23.12 24.03 2qao s ALA 36 CO 0.00 -1.10 0.79 0.54 0.00 0.00 0.00 175.76 175.98 2qao s VAL 37 N -2.11 0.00 0.35 0.00 0.11 -1.04 -4.68 120.40 113.03 2qao s VAL 37 Ca 0.25 0.00 -0.24 0.00 -2.93 0.00 0.00 61.98 59.06 2qao s VAL 37 Cb -0.01 -1.00 -0.14 0.00 -1.53 0.00 0.00 36.38 33.69 2qao s VAL 37 CO 0.02 0.00 0.50 -2.65 -3.33 0.00 0.00 175.10 169.65 2qao n PRO 38 N 3.74 0.43 -1.98 1.54 -0.02 -1.26 0.42 135.00 137.87 2qao n PRO 38 Ca -0.18 0.15 -0.40 0.00 -2.02 0.00 0.00 63.50 61.06 2qao n PRO 38 Cb 0.58 -1.33 -0.01 0.00 -0.02 0.00 0.00 33.50 32.72 2qao n PRO 38 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qao n ALA 39 N -0.57 6.80 -0.20 3.55 0.00 -1.26 -4.52 120.51 124.31 2qao n ALA 39 Ca 0.13 -4.05 0.00 0.00 0.00 0.00 0.00 53.44 49.51 2qao n ALA 39 Cb 0.36 -2.75 0.00 0.00 0.00 0.00 0.00 19.45 17.05 2qao n ALA 39 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2qao n THR 40 N 1.69 1.67 0.00 0.00 -2.24 -1.26 -4.84 114.28 109.30 2qao n THR 40 Ca 0.62 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 62.03 2qao n THR 40 Cb 0.25 -1.37 0.00 0.00 -2.10 0.00 0.00 70.33 67.12 2qao n THR 40 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2qao n LYS 41 N 1.35 0.00 -0.35 -0.78 4.76 -1.26 -3.69 118.16 118.19 2qao n LYS 41 Ca 0.00 0.00 0.36 0.00 -2.87 0.00 0.00 58.31 55.80 2qao n LYS 41 Cb 0.46 0.00 0.74 0.00 -1.84 0.00 0.00 35.03 34.39 2qao n LYS 41 CO 0.00 0.00 0.00 -0.22 -1.37 0.00 0.00 177.40 175.81 2qao h LYS 42 N 0.00 0.03 0.00 1.97 3.64 -1.97 -1.08 116.57 119.16 2qao h LYS 42 Ca 0.00 -0.00 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 2qao h LYS 42 Cb 0.00 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.81 2qao h LYS 42 CO 0.00 0.02 -0.06 -0.91 -2.27 0.00 0.00 179.45 176.23 2qao h ASN 43 N 0.03 0.00 0.00 4.20 2.35 -1.86 -3.26 115.58 117.04 2qao h ASN 43 Ca 0.59 -0.81 0.00 0.00 -0.55 0.00 0.00 56.30 55.53 2qao h ASN 43 Cb 2.31 0.00 0.00 0.00 0.05 0.00 0.00 38.32 40.68 2qao h ASN 43 CO -0.03 0.94 0.01 2.30 -1.65 0.00 0.00 177.43 179.00 2qao n ILE 44 N -4.63 1.53 0.01 2.81 -5.35 -0.50 -2.76 119.36 110.48 2qao n ILE 44 Ca -0.09 0.39 -0.00 0.00 -0.27 0.00 0.00 62.75 62.78 2qao n ILE 44 Cb 0.41 -1.39 -0.00 0.00 -1.74 0.00 0.00 39.64 36.92 2qao n ILE 44 CO 0.00 0.00 0.00 -0.33 -1.76 0.00 0.00 176.55 174.46 2qao h GLU 45 N 0.00 -0.02 -1.00 6.28 5.08 -1.36 0.79 114.58 124.34 2qao h GLU 45 Ca 0.00 0.00 0.23 0.00 -1.00 0.00 0.00 59.36 58.59 2qao h GLU 45 Cb 0.02 0.01 -0.10 0.00 0.50 0.00 0.00 28.75 29.18 2qao h GLU 45 CO 0.00 -0.02 0.63 0.74 -1.00 0.00 0.00 179.01 179.36 2qao h PHE 46 N -0.03 0.84 0.53 4.33 0.05 -1.70 0.70 116.94 121.66 2qao h PHE 46 Ca -0.00 0.03 -0.03 0.00 3.82 0.00 0.00 57.97 61.79 2qao h PHE 46 Cb 0.02 -0.25 0.01 0.00 2.00 0.00 0.00 35.95 37.73 2qao h PHE 46 CO 0.18 0.13 -0.25 0.74 -0.18 0.00 0.00 178.31 178.92 2qao h PHE 47 N 0.55 -0.66 0.00 -0.55 0.04 -1.54 0.22 116.94 115.00 2qao h PHE 47 Ca 0.58 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.33 2qao h PHE 47 Cb 1.22 0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.59 2qao h PHE 47 CO -0.00 -0.34 -0.03 0.93 -0.60 0.00 0.00 178.31 178.27 2qao h GLU 48 N -1.06 0.00 0.03 1.51 4.39 0.14 -0.17 114.58 119.42 2qao h GLU 48 Ca -0.07 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.54 2qao h GLU 48 Cb 0.61 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.26 2qao h GLU 48 CO 0.12 0.03 -0.43 0.00 -1.16 0.00 0.00 179.01 177.56 2qao h ALA 49 N 1.97 0.03 0.00 3.43 0.00 0.47 -2.93 119.26 122.24 2qao h ALA 49 Ca -0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.23 2qao h ALA 49 Cb 0.22 0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.17 2qao h ALA 49 CO 0.00 0.23 0.00 0.54 0.00 0.00 0.00 179.25 180.02 2qao n ARG 50 N -4.45 0.95 -0.11 0.00 3.00 0.77 -1.35 116.66 115.47 2qao n ARG 50 Ca -0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.85 57.53 2qao n ARG 50 Cb 0.60 -1.19 -0.10 0.00 0.00 0.00 0.00 32.46 31.78 2qao n ARG 50 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2qao n ARG 51 N -0.69 0.54 0.06 5.56 0.63 -0.10 -3.80 116.66 118.86 2qao n ARG 51 Ca 0.08 0.14 -0.13 0.00 -0.92 0.00 0.00 57.85 57.03 2qao n ARG 51 Cb 0.04 -1.42 -0.13 0.00 0.45 0.00 0.00 32.46 31.39 2qao n ARG 51 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2qao h ALA 52 N -0.11 0.31 -0.24 5.13 0.00 -1.47 -2.79 119.26 120.09 2qao h ALA 52 Ca -0.50 -1.04 -0.03 0.00 0.00 0.00 0.00 54.91 53.34 2qao h ALA 52 Cb 1.73 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 19.61 2qao h ALA 52 CO -0.11 1.19 0.02 1.49 0.00 0.00 0.00 179.25 181.83 2qao h GLU 53 N 0.04 0.41 -0.71 0.00 4.22 -1.45 -2.86 114.58 114.24 2qao h GLU 53 Ca -0.15 -0.12 -0.06 0.00 0.08 0.00 0.00 59.36 59.11 2qao h GLU 53 Cb 1.93 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 31.11 2qao h GLU 53 CO 0.15 0.57 0.21 -0.07 -2.18 0.00 0.00 179.01 177.70 2qao h LEU 54 N 0.20 1.03 -1.35 1.64 3.38 -1.66 0.74 115.31 119.28 2qao h LEU 54 Ca 0.07 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.85 2qao h LEU 54 Cb 0.37 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.85 2qao h LEU 54 CO 0.01 0.96 0.00 1.21 0.09 0.00 0.00 178.44 180.71 2qao n GLU 55 N -4.25 0.94 0.11 1.13 0.00 -1.05 -2.57 120.64 114.95 2qao n GLU 55 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.22 2qao n GLU 55 Cb 0.23 -1.32 0.00 0.00 0.00 0.00 0.00 31.44 30.35 2qao n GLU 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2qao n ALA 56 N 0.20 3.00 0.08 4.31 0.00 -0.55 -4.54 120.51 123.01 2qao n ALA 56 Ca 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.40 2qao n ALA 56 Cb 0.32 0.08 -0.02 0.00 0.00 0.00 0.00 19.45 19.83 2qao n ALA 56 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.50 177.28 2qao h LYS 57 N 0.00 -0.21 0.00 0.00 1.63 -0.96 0.80 116.57 117.83 2qao h LYS 57 Ca 0.00 0.01 0.00 0.00 -0.85 0.00 0.00 60.65 59.81 2qao h LYS 57 Cb 0.00 0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.68 2qao h LYS 57 CO 0.00 -0.14 0.00 1.28 -3.45 0.00 0.00 179.45 177.14 2qao n LEU 58 N -2.74 0.00 -0.08 5.20 4.77 -1.06 -1.34 117.00 121.75 2qao n LEU 58 Ca -0.03 0.42 -0.19 0.00 -0.03 0.00 0.00 56.01 56.18 2qao n LEU 58 Cb 0.09 -0.42 -0.12 0.00 -2.33 0.00 0.00 43.42 40.64 2qao n LEU 58 CO 0.06 -0.28 -0.22 0.00 -1.33 0.00 0.00 177.39 175.62 2qao h ALA 59 N 2.39 0.17 -0.06 -1.18 0.00 -1.40 -3.34 119.26 115.83 2qao h ALA 59 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 54.91 53.94 2qao h ALA 59 Cb 0.14 0.48 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2qao h ALA 59 CO 0.00 0.49 0.00 -1.91 0.00 0.00 0.00 179.25 177.83 2qao n GLU 60 N -4.44 1.39 0.00 0.00 4.07 0.27 -3.29 120.64 118.64 2qao n GLU 60 Ca -0.24 -0.58 0.07 0.00 -0.06 0.00 0.00 57.16 56.34 2qao n GLU 60 Cb 0.64 -1.39 0.33 0.00 -0.06 0.00 0.00 31.44 30.95 2qao n GLU 60 CO 0.00 0.00 0.00 1.55 -0.06 0.00 0.00 177.13 178.62 2qao n VAL 61 N -0.23 0.74 0.53 6.31 3.14 -0.45 0.03 118.33 128.39 2qao n VAL 61 Ca 0.17 0.18 0.13 0.00 -2.96 0.00 0.00 64.34 61.86 2qao n VAL 61 Cb 0.22 -0.96 0.35 0.00 -1.06 0.00 0.00 33.84 32.39 2qao n VAL 61 CO 0.00 0.00 0.00 0.17 -6.46 0.00 0.00 176.83 170.54 2qao h LEU 62 N 0.00 0.00 -0.00 6.55 -0.00 -1.79 -3.35 115.31 116.72 2qao h LEU 62 Ca 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 57.88 57.89 2qao h LEU 62 Cb 0.15 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 40.78 2qao h LEU 62 CO 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 178.44 178.12 2qao h ALA 63 N 2.39 -0.76 -0.23 0.17 0.00 -0.67 0.49 119.26 120.65 2qao h ALA 63 Ca 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2qao h ALA 63 Cb 0.80 0.77 -0.07 0.00 0.00 0.00 0.00 17.79 19.29 2qao h ALA 63 CO 0.00 -0.86 -0.21 0.00 0.00 0.00 0.00 179.25 178.19 2qao h ALA 64 N -0.87 -0.07 -0.47 0.00 0.00 -1.77 -2.52 119.26 113.56 2qao h ALA 64 Ca 0.01 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 2qao h ALA 64 Cb 0.42 0.44 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 2qao h ALA 64 CO -0.21 -0.63 0.23 0.00 0.00 0.00 0.00 179.25 178.64 2qao h ALA 65 N 0.88 0.61 -0.08 0.00 0.00 -1.69 0.16 119.26 119.13 2qao h ALA 65 Ca 0.13 -0.11 0.02 0.00 0.00 0.00 0.00 54.91 54.96 2qao h ALA 65 Cb 0.41 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2qao h ALA 65 CO -0.36 0.16 0.06 -0.91 0.00 0.00 0.00 179.25 178.20 2qao h ASN 66 N 0.62 0.00 0.05 0.00 2.35 0.24 -2.86 115.58 115.98 2qao h ASN 66 Ca 0.16 0.00 -0.26 0.00 -0.55 0.00 0.00 56.30 55.66 2qao h ASN 66 Cb 0.10 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.45 2qao h ASN 66 CO -0.02 0.00 -1.38 0.00 -1.65 0.00 0.00 177.43 174.37 2qao h ALA 67 N 1.96 0.27 -0.76 -0.83 0.00 -1.15 -3.38 119.26 115.37 2qao h ALA 67 Ca 0.04 -1.19 0.27 0.00 0.00 0.00 0.00 54.91 54.03 2qao h ALA 67 Cb 0.16 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 18.46 2qao h ALA 67 CO -0.00 0.82 0.23 0.54 0.00 0.00 0.00 179.25 180.84 2qao n ARG 68 N -4.14 -0.05 -0.22 0.00 5.12 0.54 -0.48 116.66 117.43 2qao n ARG 68 Ca -0.30 1.09 -0.03 0.00 -1.93 0.00 0.00 57.85 56.68 2qao n ARG 68 Cb 0.79 -1.85 0.03 0.00 -1.16 0.00 0.00 32.46 30.27 2qao n ARG 68 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2qao h ALA 69 N 1.52 0.13 -0.83 7.54 0.00 -1.72 -2.17 119.26 123.72 2qao h ALA 69 Ca 0.56 0.20 -0.02 0.00 0.00 0.00 0.00 54.91 55.65 2qao h ALA 69 Cb 1.36 0.71 -0.04 0.00 0.00 0.00 0.00 17.79 19.82 2qao h ALA 69 CO -0.65 -0.59 0.44 1.05 0.00 0.00 0.00 179.25 179.50 2qao h GLU 70 N -0.11 1.17 -0.22 0.00 -0.00 -1.04 0.95 114.58 115.34 2qao h GLU 70 Ca 0.27 -0.15 0.05 0.00 -0.00 0.00 0.00 59.36 59.53 2qao h GLU 70 Cb 0.54 -0.22 -0.05 0.00 -0.00 0.00 0.00 28.75 29.02 2qao h GLU 70 CO -0.71 0.87 -0.08 0.87 -0.00 0.00 0.00 179.01 179.96 2qao h LYS 71 N 1.17 -0.05 0.00 1.06 1.57 -1.46 0.68 116.57 119.53 2qao h LYS 71 Ca 0.29 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.07 2qao h LYS 71 Cb 0.05 0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.37 2qao h LYS 71 CO -0.04 -0.03 0.00 -0.84 -0.57 0.00 0.00 179.45 177.96 2qao h ILE 72 N -0.05 0.00 0.13 1.86 3.07 -1.43 -3.22 117.51 117.88 2qao h ILE 72 Ca 0.11 -0.67 -0.29 0.00 1.55 0.00 0.00 64.86 65.56 2qao h ILE 72 Cb 0.22 1.64 0.03 0.00 -0.27 0.00 0.00 36.82 38.44 2qao h ILE 72 CO -0.25 0.00 -1.20 0.78 -1.05 0.00 0.00 178.15 176.42 2qao h ASN 73 N 0.00 0.84 -0.77 2.16 2.35 0.12 -3.28 115.58 117.00 2qao h ASN 73 Ca 0.00 -0.84 0.18 0.00 -0.55 0.00 0.00 56.30 55.09 2qao h ASN 73 Cb 0.74 -0.26 -0.12 0.00 0.05 0.00 0.00 38.32 38.73 2qao h ASN 73 CO 0.00 1.59 0.17 0.00 -1.65 0.00 0.00 177.43 177.55 2qao h ALA 74 N 0.26 1.01 -1.46 -0.83 0.00 0.26 -3.34 119.26 115.16 2qao h ALA 74 Ca -0.19 0.19 -0.43 0.00 0.00 0.00 0.00 54.91 54.49 2qao h ALA 74 Cb 1.89 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 19.95 2qao h ALA 74 CO 0.23 -0.37 1.42 -0.51 0.00 0.00 0.00 179.25 180.02 2qao s LEU 75 N -10.62 3.33 0.66 0.00 1.43 -1.24 -4.76 118.68 107.47 2qao s LEU 75 Ca -0.13 0.80 0.32 0.00 -1.03 0.00 0.00 54.13 54.09 2qao s LEU 75 Cb 0.22 -2.51 1.72 0.00 0.03 0.00 0.00 46.19 45.66 2qao s LEU 75 CO 0.76 -2.87 1.97 -0.33 0.23 0.00 0.00 176.35 176.11 2qao h GLU 76 N 17.92 0.00 0.00 1.70 5.08 -1.88 -3.43 114.58 133.97 2qao h GLU 76 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2qao h GLU 76 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2qao h GLU 76 CO 1.16 0.00 0.00 0.25 -1.00 0.00 0.00 179.01 179.42 2qao n THR 77 N -2.89 0.00 -3.80 1.13 -2.24 -1.25 -4.05 114.28 101.18 2qao n THR 77 Ca -0.02 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.64 2qao n THR 77 Cb 0.33 0.00 -0.08 0.00 -2.10 0.00 0.00 70.33 68.48 2qao n THR 77 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 2qao s VAL 78 N -2.73 0.08 -0.28 2.28 1.01 -1.00 -4.90 120.40 114.86 2qao s VAL 78 Ca 0.00 -0.67 0.03 0.00 0.00 0.00 0.00 61.98 61.34 2qao s VAL 78 Cb 0.00 -0.73 0.07 0.00 0.00 0.00 0.00 36.38 35.72 2qao s VAL 78 CO 0.00 -0.37 -0.06 -0.89 0.00 0.00 0.00 175.10 173.78 2qao s THR 79 N -1.93 2.09 0.37 3.92 2.01 -1.26 -1.22 115.64 119.61 2qao s THR 79 Ca -0.10 -1.76 0.02 0.00 0.31 0.00 0.00 61.69 60.16 2qao s THR 79 Cb -0.04 -2.31 -0.02 0.00 0.01 0.00 0.00 72.50 70.15 2qao s THR 79 CO 0.00 -0.20 0.56 0.27 -0.69 0.00 0.00 174.62 174.56 2qao s ILE 80 N 1.10 4.59 -0.14 1.82 -5.25 -1.25 -5.08 121.20 116.99 2qao s ILE 80 Ca -0.03 -0.60 0.02 0.00 -0.99 0.00 0.00 60.65 59.05 2qao s ILE 80 Cb -0.20 -3.67 0.01 0.00 2.95 0.00 0.00 42.46 41.56 2qao s ILE 80 CO -0.06 -0.40 -0.20 0.00 -1.79 0.00 0.00 174.94 172.48 2qao s ALA 81 N -2.34 2.14 -0.29 2.27 0.00 -1.26 -4.40 121.76 117.88 2qao s ALA 81 Ca 0.43 -1.04 -0.16 0.00 0.00 0.00 0.00 51.96 51.20 2qao s ALA 81 Cb -0.10 -0.99 0.15 0.00 0.00 0.00 0.00 23.12 22.18 2qao s ALA 81 CO 0.35 -0.09 0.98 -1.12 0.00 0.00 0.00 175.76 175.88 2qao s SER 82 N 0.94 -0.53 -0.19 0.00 0.01 -1.26 -5.01 113.70 107.66 2qao s SER 82 Ca -0.05 0.80 -0.37 0.00 1.31 0.00 0.00 55.95 57.64 2qao s SER 82 Cb -0.15 1.35 -0.14 0.00 0.21 0.00 0.00 66.02 67.29 2qao s SER 82 CO -0.04 -0.12 1.83 0.29 0.41 0.00 0.00 173.24 175.61 2qao n LYS 83 N 4.08 1.65 -2.53 12.44 4.01 -1.26 -3.88 118.16 132.66 2qao n LYS 83 Ca -0.16 0.60 -0.26 0.00 -0.51 0.00 0.00 58.31 57.98 2qao n LYS 83 Cb 0.56 -2.38 0.03 0.00 -0.51 0.00 0.00 35.03 32.73 2qao n LYS 83 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2qao s ALA 84 N 3.98 3.41 0.00 7.82 0.00 -1.26 -3.09 121.76 132.61 2qao s ALA 84 Ca 0.96 -0.78 0.00 0.00 0.00 0.00 0.00 51.96 52.14 2qao s ALA 84 Cb -0.88 -2.50 0.00 0.00 0.00 0.00 0.00 23.12 19.74 2qao s ALA 84 CO 0.59 -0.70 0.00 0.41 0.00 0.00 0.00 175.76 176.05 2qao n GLY 85 N -2.47 1.85 0.00 0.00 0.00 0.29 -4.71 105.19 100.15 2qao n GLY 85 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2qao n GLY 85 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2qao n ASP 86 N 0.00 0.00 0.09 1.61 8.00 -1.26 -4.67 116.55 120.33 2qao n ASP 86 Ca 0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 2qao n ASP 86 Cb 0.00 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 41.55 2qao n ASP 86 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2qao n GLU 87 N 0.00 0.20 0.00 -1.24 4.71 -1.26 -4.73 120.64 118.32 2qao n GLU 87 Ca 0.00 0.25 0.00 0.00 -0.01 0.00 0.00 57.16 57.40 2qao n GLU 87 Cb 0.00 -1.77 0.00 0.00 -1.01 0.00 0.00 31.44 28.66 2qao n GLU 87 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2qao n GLY 88 N 0.88 -1.08 2.58 0.62 0.00 -1.26 -4.71 105.19 102.23 2qao n GLY 88 Ca 0.05 0.65 -0.23 0.00 0.00 0.00 0.00 46.02 46.48 2qao n GLY 88 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 89 N 0.00 0.63 -0.68 1.61 3.01 -1.25 -2.76 119.74 120.29 2qao s LYS 89 Ca 0.00 -1.21 -0.29 0.00 -1.01 0.00 0.00 55.97 53.46 2qao s LYS 89 Cb 0.00 -1.04 -0.14 0.00 -1.01 0.00 0.00 37.83 35.64 2qao s LYS 89 CO 0.00 -1.23 2.51 1.28 0.51 0.00 0.00 175.35 178.43 2qao n LEU 90 N 3.97 1.47 -0.13 3.17 4.32 0.11 0.10 117.00 130.02 2qao n LEU 90 Ca 0.14 -0.15 -0.03 0.00 -0.02 0.00 0.00 56.01 55.95 2qao n LEU 90 Cb 0.42 -1.29 -0.03 0.00 -1.62 0.00 0.00 43.42 40.90 2qao n LEU 90 CO 0.11 -1.15 0.41 0.49 -1.22 0.00 0.00 177.39 176.03 2qao n PHE 91 N 13.19 -0.14 0.00 -1.77 3.01 -1.18 -3.82 117.46 126.75 2qao n PHE 91 Ca 0.49 0.38 0.00 0.00 1.01 0.00 0.00 57.45 59.34 2qao n PHE 91 Cb 0.31 -0.47 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 2qao n PHE 91 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2qao n GLY 92 N -1.08 -0.46 0.00 1.37 0.00 -1.26 -5.08 105.19 98.68 2qao n GLY 92 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 2qao n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2qao n SER 93 N 0.00 0.00 -4.25 1.61 3.41 -1.25 -5.04 113.62 108.10 2qao n SER 93 Ca 0.00 0.00 -0.24 0.00 -0.26 0.00 0.00 58.87 58.37 2qao n SER 93 Cb 0.00 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 63.82 2qao n SER 93 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2qao s ILE 94 N -2.00 1.61 0.00 -1.33 1.09 -0.98 -5.05 121.20 114.54 2qao s ILE 94 Ca 0.00 -1.30 0.00 0.00 -1.10 0.00 0.00 60.65 58.25 2qao s ILE 94 Cb 0.00 -1.43 0.00 0.00 -1.06 0.00 0.00 42.46 39.97 2qao s ILE 94 CO 0.00 0.08 0.00 0.61 -0.10 0.00 0.00 174.94 175.53 2qao n GLY 95 N 1.57 -0.17 4.86 6.18 0.00 -1.26 -4.05 105.19 112.32 2qao n GLY 95 Ca -0.18 -1.29 0.00 0.00 0.00 0.00 0.00 46.02 44.55 2qao n GLY 95 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2qao n THR 96 N -1.03 0.00 -0.19 2.61 5.66 -1.26 0.43 114.28 120.50 2qao n THR 96 Ca 0.00 0.00 0.05 0.00 -3.05 0.00 0.00 64.05 61.05 2qao n THR 96 Cb 0.00 0.00 0.32 0.00 -1.55 0.00 0.00 70.33 69.10 2qao n THR 96 CO 0.00 0.00 0.00 0.08 -3.05 0.00 0.00 175.07 172.10 2qao h ARG 97 N 0.00 0.80 0.00 1.09 -0.00 -1.98 -2.17 114.38 112.12 2qao h ARG 97 Ca 0.00 -0.05 0.00 0.00 -0.00 0.00 0.00 59.98 59.93 2qao h ARG 97 Cb 0.00 -0.18 0.00 0.00 -0.00 0.00 0.00 29.97 29.79 2qao h ARG 97 CO 0.00 0.53 0.00 -0.25 -0.00 0.00 0.00 179.97 180.25 2qao n ASP 98 N -4.47 0.00 0.30 0.08 8.00 0.17 -0.24 116.55 120.39 2qao n ASP 98 Ca 0.10 0.85 0.16 0.00 0.71 0.00 0.00 54.79 56.61 2qao n ASP 98 Cb 0.17 -0.35 0.93 0.00 -0.02 0.00 0.00 41.12 41.85 2qao n ASP 98 CO 0.00 0.00 0.00 0.16 -0.39 0.00 0.00 177.20 176.97 2qao h ILE 99 N 0.00 0.48 0.00 0.53 3.07 -1.66 -3.07 117.51 116.86 2qao h ILE 99 Ca 0.00 -0.06 0.00 0.00 1.55 0.00 0.00 64.86 66.35 2qao h ILE 99 Cb 0.00 1.04 0.00 0.00 -0.27 0.00 0.00 36.82 37.59 2qao h ILE 99 CO 0.00 0.01 0.00 0.00 -1.05 0.00 0.00 178.15 177.11 2qao n ALA 100 N -2.29 -0.39 -0.28 0.16 0.00 -0.27 -2.35 120.51 115.10 2qao n ALA 100 Ca -0.03 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.75 2qao n ALA 100 Cb 0.10 0.00 0.69 0.00 0.00 0.00 0.00 19.45 20.24 2qao n ALA 100 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 2qao h ASP 101 N 0.00 0.00 0.00 0.00 3.32 -0.58 -0.05 116.42 119.11 2qao h ASP 101 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 2qao h ASP 101 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 2qao h ASP 101 CO 0.00 0.00 0.00 0.00 -1.72 0.00 0.00 179.24 177.52 2qao n ALA 102 N -2.58 -0.14 -0.25 3.45 0.00 -1.14 -1.05 120.51 118.80 2qao n ALA 102 Ca 0.24 0.00 0.32 0.00 0.00 0.00 0.00 53.44 54.00 2qao n ALA 102 Cb 1.32 0.00 0.74 0.00 0.00 0.00 0.00 19.45 21.51 2qao n ALA 102 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 177.50 177.26 2qao h VAL 103 N 0.00 0.48 -0.10 0.00 3.04 -1.04 0.36 116.25 119.00 2qao h VAL 103 Ca 0.00 -0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.68 2qao h VAL 103 Cb 0.00 0.48 -0.00 0.00 -2.01 0.00 0.00 31.29 29.75 2qao h VAL 103 CO 0.00 0.00 0.03 0.74 -1.01 0.00 0.00 177.57 177.33 2qao h THR 104 N 0.00 1.16 -0.26 3.17 2.02 -0.87 0.11 112.91 118.24 2qao h THR 104 Ca 0.50 -0.49 -0.18 0.00 0.77 0.00 0.00 66.41 67.01 2qao h THR 104 Cb 1.99 1.31 -0.07 0.00 -1.74 0.00 0.00 68.15 69.64 2qao h THR 104 CO -0.01 0.14 0.18 0.00 0.37 0.00 0.00 175.52 176.20 2qao n ALA 105 N -2.22 4.74 0.09 6.16 0.00 0.13 -3.79 120.51 125.62 2qao n ALA 105 Ca -0.06 -0.97 0.00 0.00 0.00 0.00 0.00 53.44 52.41 2qao n ALA 105 Cb 0.13 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.28 2qao n ALA 105 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao n ALA 106 N 1.03 1.79 -1.00 0.00 0.00 -0.92 -4.98 120.51 116.42 2qao n ALA 106 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 2qao n ALA 106 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.01 2qao n ALA 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2qao n GLY 107 N 0.29 -0.84 3.79 0.00 0.00 0.32 -5.10 105.19 103.65 2qao n GLY 107 Ca 0.00 0.34 -0.34 0.00 0.00 0.00 0.00 46.02 46.02 2qao n GLY 107 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2qao s VAL 108 N 0.00 3.64 -0.01 1.61 1.01 -1.21 -4.88 120.40 120.56 2qao s VAL 108 Ca 0.00 1.00 -0.16 0.00 0.00 0.00 0.00 61.98 62.82 2qao s VAL 108 Cb 0.00 -3.40 -0.09 0.00 0.00 0.00 0.00 36.38 32.89 2qao s VAL 108 CO 0.00 -0.24 0.77 -0.08 0.00 0.00 0.00 175.10 175.55 2qao h GLU 109 N 1.40 -0.55 -6.37 2.72 4.57 -1.85 -3.00 114.58 111.49 2qao h GLU 109 Ca -0.49 0.04 -0.47 0.00 -1.18 0.00 0.00 59.36 57.26 2qao h GLU 109 Cb 1.23 0.13 -0.22 0.00 -0.16 0.00 0.00 28.75 29.72 2qao h GLU 109 CO 0.58 -0.37 -0.70 1.55 -1.18 0.00 0.00 179.01 178.89 2qao n VAL 110 N -4.57 -0.39 -1.68 0.32 3.14 -1.26 -4.18 118.33 109.71 2qao n VAL 110 Ca -0.07 -0.20 -0.48 0.00 -2.96 0.00 0.00 64.34 60.63 2qao n VAL 110 Cb 0.23 -0.57 -0.05 0.00 -1.06 0.00 0.00 33.84 32.39 2qao n VAL 110 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2qao n ALA 111 N -3.44 0.93 -1.27 1.55 0.00 -1.26 -4.79 120.51 112.22 2qao n ALA 111 Ca -0.09 0.30 -0.49 0.00 0.00 0.00 0.00 53.44 53.17 2qao n ALA 111 Cb 0.44 -2.48 -0.06 0.00 0.00 0.00 0.00 19.45 17.35 2qao n ALA 111 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2qao n LYS 112 N 6.25 0.00 0.00 0.00 -0.00 -1.26 -4.83 118.16 118.32 2qao n LYS 112 Ca 0.22 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.53 2qao n LYS 112 Cb 0.29 -1.19 0.00 0.00 -0.00 0.00 0.00 35.03 34.14 2qao n LYS 112 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 2qao n SER 113 N 1.40 0.00 0.00 -5.58 7.64 -1.26 -4.95 113.62 110.87 2qao n SER 113 Ca 0.17 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.05 2qao n SER 113 Cb 0.10 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.30 2qao n SER 113 CO 0.00 0.00 0.00 -1.84 -3.01 0.00 0.00 175.04 170.19 2qao n GLU 114 N 0.00 0.00 -1.23 1.43 0.28 -1.26 -4.84 120.64 115.02 2qao n GLU 114 Ca 0.00 0.00 -0.48 0.00 -0.16 0.00 0.00 57.16 56.52 2qao n GLU 114 Cb 0.00 -1.40 -0.07 0.00 1.43 0.00 0.00 31.44 31.41 2qao n GLU 114 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 177.13 178.52 2qao n VAL 115 N -0.89 0.00 -0.12 3.84 3.14 -1.26 -4.63 118.33 118.41 2qao n VAL 115 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2qao n VAL 115 Cb 0.00 -0.11 0.00 0.00 -1.06 0.00 0.00 33.84 32.67 2qao n VAL 115 CO 0.00 0.00 0.00 0.54 -6.46 0.00 0.00 176.83 170.91 2qao n ARG 116 N 1.71 0.72 -1.67 1.45 1.74 -1.18 -4.89 116.66 114.54 2qao n ARG 116 Ca 0.18 0.00 -0.50 0.00 -0.77 0.00 0.00 57.85 56.76 2qao n ARG 116 Cb 0.03 -1.14 -0.05 0.00 -1.02 0.00 0.00 32.46 30.28 2qao n ARG 116 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2qao n LEU 117 N 1.41 3.21 0.20 0.55 7.94 -1.26 -4.84 117.00 124.22 2qao n LEU 117 Ca 0.00 0.94 0.18 0.00 -1.11 0.00 0.00 56.01 56.02 2qao n LEU 117 Cb 0.36 -1.33 0.80 0.00 0.53 0.00 0.00 43.42 43.78 2qao n LEU 117 CO 0.00 -0.16 1.16 -0.65 -1.11 0.00 0.00 177.39 176.63 2qao h PRO 118 N 9.28 0.00 0.00 1.96 0.11 -1.92 -3.46 132.00 137.97 2qao h PRO 118 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 2qao h PRO 118 Cb 1.28 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.39 2qao h PRO 118 CO 0.96 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 179.02 2qao n ASN 119 N -3.45 0.00 -2.03 -2.05 0.23 -1.26 -4.96 115.26 101.73 2qao n ASN 119 Ca 0.03 0.00 -0.06 0.00 -0.53 0.00 0.00 54.58 54.02 2qao n ASN 119 Cb 0.47 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.09 2qao n ASN 119 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2qao n GLY 120 N -0.17 2.18 0.25 4.83 0.00 -1.26 -4.88 105.19 106.15 2qao n GLY 120 Ca 0.00 -0.58 -0.01 0.00 0.00 0.00 0.00 46.02 45.43 2qao n GLY 120 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2qao n VAL 121 N 2.40 0.00 -2.79 1.61 0.24 -1.26 -4.64 118.33 113.89 2qao n VAL 121 Ca 0.21 0.00 -0.09 0.00 -2.04 0.00 0.00 64.34 62.42 2qao n VAL 121 Cb 0.53 -0.03 0.04 0.00 -1.47 0.00 0.00 33.84 32.91 2qao n VAL 121 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 2qao n LEU 122 N 0.00 -4.93 -0.00 1.34 7.99 -1.26 -4.25 117.00 115.89 2qao n LEU 122 Ca 0.00 -0.44 0.02 0.00 -0.01 0.00 0.00 56.01 55.59 2qao n LEU 122 Cb 0.02 -2.59 -0.03 0.00 -0.11 0.00 0.00 43.42 40.72 2qao n LEU 122 CO 0.01 -0.11 -0.12 0.54 -1.51 0.00 0.00 177.39 176.20 2qao n ARG 123 N -2.56 4.48 -4.34 3.23 1.74 -1.26 -2.31 116.66 115.64 2qao n ARG 123 Ca -0.04 -0.01 -0.17 0.00 -0.77 0.00 0.00 57.85 56.86 2qao n ARG 123 Cb 0.57 -0.78 -0.10 0.00 -1.02 0.00 0.00 32.46 31.13 2qao n ARG 123 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 2qao s THR 124 N -1.58 0.68 0.50 0.55 -1.32 -1.26 -0.71 115.64 112.51 2qao s THR 124 Ca 0.01 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.38 2qao s THR 124 Cb 0.03 -2.65 -0.05 0.00 -1.51 0.00 0.00 72.50 68.31 2qao s THR 124 CO 0.17 -0.01 0.88 0.42 -2.21 0.00 0.00 174.62 173.87 2qao s THR 125 N -3.67 4.75 0.00 5.08 -4.23 -1.11 -4.75 115.64 111.71 2qao s THR 125 Ca 0.37 0.70 0.00 0.00 -1.18 0.00 0.00 61.69 61.58 2qao s THR 125 Cb 0.08 -3.80 0.00 0.00 1.34 0.00 0.00 72.50 70.12 2qao s THR 125 CO 0.14 -0.80 0.00 0.61 -0.54 0.00 0.00 174.62 174.03 2qao n GLY 126 N -1.97 1.63 3.79 3.99 0.00 0.84 -4.77 105.19 108.71 2qao n GLY 126 Ca 0.04 -2.19 -0.32 0.00 0.00 0.00 0.00 46.02 43.54 2qao n GLY 126 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2qao s GLU 127 N -1.55 2.96 -0.18 1.61 1.03 -1.25 0.19 118.70 121.52 2qao s GLU 127 Ca 0.00 1.21 -0.08 0.00 0.03 0.00 0.00 54.97 56.13 2qao s GLU 127 Cb 0.00 -1.98 0.07 0.00 -0.80 0.00 0.00 34.13 31.42 2qao s GLU 127 CO 0.00 -1.10 0.40 -1.01 -1.33 0.00 0.00 175.26 172.23 2qao s HIS 128 N -2.58 -0.65 0.29 4.83 3.76 0.53 -4.79 115.29 116.68 2qao s HIS 128 Ca 0.63 1.34 -0.28 0.00 -0.15 0.00 0.00 55.06 56.60 2qao s HIS 128 Cb -0.17 0.26 -0.09 0.00 1.11 0.00 0.00 32.58 33.68 2qao s HIS 128 CO 0.44 -0.38 1.01 -1.83 -0.85 0.00 0.00 174.74 173.12 2qao s GLU 129 N 1.82 4.62 -0.26 1.40 4.04 -1.26 0.20 118.70 129.26 2qao s GLU 129 Ca -0.07 1.56 -0.01 0.00 0.04 0.00 0.00 54.97 56.50 2qao s GLU 129 Cb -0.10 -3.04 0.14 0.00 0.02 0.00 0.00 34.13 31.16 2qao s GLU 129 CO -0.12 0.27 0.38 0.08 -1.84 0.00 0.00 175.26 174.02 2qao s VAL 130 N -1.34 -0.59 -0.72 1.83 1.01 0.20 -4.89 120.40 115.90 2qao s VAL 130 Ca 0.47 -0.20 -0.17 0.00 0.00 0.00 0.00 61.98 62.08 2qao s VAL 130 Cb -0.26 -0.90 0.15 0.00 0.00 0.00 0.00 36.38 35.38 2qao s VAL 130 CO 0.32 -0.22 0.76 -0.55 0.00 0.00 0.00 175.10 175.42 2qao s SER 131 N 2.52 6.46 0.96 3.32 0.15 -1.26 -1.33 113.70 124.52 2qao s SER 131 Ca 0.11 -2.03 -0.12 0.00 0.70 0.00 0.00 55.95 54.61 2qao s SER 131 Cb -0.14 -2.27 0.17 0.00 -1.71 0.00 0.00 66.02 62.06 2qao s SER 131 CO -0.23 -0.88 1.10 0.12 1.20 0.00 0.00 173.24 174.55 2qao s PHE 132 N 1.65 2.22 -0.26 3.44 5.36 -1.10 -3.11 117.98 126.18 2qao s PHE 132 Ca 0.16 1.05 -0.03 0.00 -0.96 0.00 0.00 56.93 57.15 2qao s PHE 132 Cb -0.17 -3.24 0.11 0.00 -0.34 0.00 0.00 43.02 39.37 2qao s PHE 132 CO -0.02 -2.68 0.20 1.14 -1.46 0.00 0.00 175.22 172.39 2qao s GLN 133 N -4.99 0.22 0.22 10.12 -2.07 -1.26 -2.01 119.66 119.88 2qao s GLN 133 Ca 0.65 -0.20 0.24 0.00 -1.82 0.00 0.00 55.36 54.23 2qao s GLN 133 Cb -0.18 -1.07 0.44 0.00 -1.09 0.00 0.00 33.01 31.11 2qao s GLN 133 CO 0.57 -0.91 1.48 -0.39 -1.32 0.00 0.00 175.29 174.71 2qao h VAL 134 N 6.34 0.00 -4.68 3.63 -1.51 -1.95 -3.41 116.25 114.68 2qao h VAL 134 Ca -0.17 -0.65 -0.33 0.00 -1.23 0.00 0.00 66.70 64.32 2qao h VAL 134 Cb 1.08 1.43 -0.14 0.00 -2.13 0.00 0.00 31.29 31.52 2qao h VAL 134 CO 0.36 0.00 -0.54 -2.28 -1.23 0.00 0.00 177.57 173.88 2qao s HIS 135 N -3.18 1.39 0.00 5.19 5.65 -1.22 -5.04 115.29 118.08 2qao s HIS 135 Ca 0.07 -1.48 0.00 0.00 0.25 0.00 0.00 55.06 53.90 2qao s HIS 135 Cb 0.11 -0.59 0.00 0.00 -1.18 0.00 0.00 32.58 30.92 2qao s HIS 135 CO 0.68 -0.77 0.18 0.43 -0.65 0.00 0.00 174.74 174.61 2qao n SER 136 N -0.86 0.00 -0.11 9.88 7.64 -1.26 -2.89 113.62 126.03 2qao n SER 136 Ca 0.04 0.18 0.00 0.00 1.01 0.00 0.00 58.87 60.10 2qao n SER 136 Cb 0.64 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.84 2qao n SER 136 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 2qao n GLU 137 N -0.28 1.00 -3.79 1.43 4.71 -1.26 -4.75 120.64 117.69 2qao n GLU 137 Ca 0.00 0.00 -0.36 0.00 -0.01 0.00 0.00 57.16 56.79 2qao n GLU 137 Cb 0.00 -1.11 -0.11 0.00 -1.01 0.00 0.00 31.44 29.21 2qao n GLU 137 CO 0.00 0.00 0.00 0.08 0.09 0.00 0.00 177.13 177.30 2qao s VAL 138 N -1.79 4.77 -0.29 2.62 1.01 -1.14 -5.05 120.40 120.53 2qao s VAL 138 Ca 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 61.98 61.75 2qao s VAL 138 Cb 0.00 -3.21 0.15 0.00 0.00 0.00 0.00 36.38 33.31 2qao s VAL 138 CO 0.00 0.36 1.07 0.72 0.00 0.00 0.00 175.10 177.25 2qao s PHE 139 N 1.21 -0.44 -0.11 5.22 -0.12 -1.26 -3.33 117.98 119.15 2qao s PHE 139 Ca 0.05 0.97 0.02 0.00 -0.05 0.00 0.00 56.93 57.92 2qao s PHE 139 Cb -0.14 0.35 0.01 0.00 -0.63 0.00 0.00 43.02 42.61 2qao s PHE 139 CO 0.04 -0.22 -0.16 0.00 -0.05 0.00 0.00 175.22 174.84 2qao s ALA 140 N 0.75 1.72 0.18 1.99 0.00 -0.85 -4.95 121.76 120.59 2qao s ALA 140 Ca -0.02 -0.74 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 2qao s ALA 140 Cb -0.04 -0.83 -0.08 0.00 0.00 0.00 0.00 23.12 22.17 2qao s ALA 140 CO -0.11 -0.05 1.12 0.15 0.00 0.00 0.00 175.76 176.86 2qao s LYS 141 N 0.94 4.57 -0.11 0.00 3.01 -1.26 -2.70 119.74 124.18 2qao s LYS 141 Ca -0.07 1.75 -0.04 0.00 -1.01 0.00 0.00 55.97 56.59 2qao s LYS 141 Cb -0.15 -3.27 0.05 0.00 -1.01 0.00 0.00 37.83 33.45 2qao s LYS 141 CO -0.01 0.03 0.23 0.08 0.51 0.00 0.00 175.35 176.19 2qao s VAL 142 N -0.18 -0.27 0.52 3.17 1.01 -0.44 -4.77 120.40 119.44 2qao s VAL 142 Ca 0.50 0.26 -0.14 0.00 0.00 0.00 0.00 61.98 62.60 2qao s VAL 142 Cb -0.30 -0.38 -0.07 0.00 0.00 0.00 0.00 36.38 35.63 2qao s VAL 142 CO 0.35 0.11 0.96 -0.63 0.00 0.00 0.00 175.10 175.89 2qao s ILE 143 N 2.04 4.62 -0.06 2.22 1.01 -1.26 0.62 121.20 130.40 2qao s ILE 143 Ca -0.02 1.02 -0.03 0.00 0.00 0.00 0.00 60.65 61.63 2qao s ILE 143 Cb -0.12 -3.76 0.04 0.00 0.01 0.00 0.00 42.46 38.63 2qao s ILE 143 CO -0.08 -0.77 0.11 -0.69 0.00 0.00 0.00 174.94 173.51 2qao s VAL 144 N -2.71 -0.17 0.16 2.92 1.01 0.54 -2.37 120.40 119.77 2qao s VAL 144 Ca 0.57 0.38 -0.23 0.00 0.00 0.00 0.00 61.98 62.70 2qao s VAL 144 Cb -0.10 -0.21 -0.08 0.00 0.00 0.00 0.00 36.38 35.99 2qao s VAL 144 CO 0.37 0.16 0.73 0.21 0.00 0.00 0.00 175.10 176.57 2qao s ASN 145 N 2.16 7.28 -0.11 3.32 3.84 -0.36 0.20 114.94 131.26 2qao s ASN 145 Ca 0.03 1.54 -0.02 0.00 0.21 0.00 0.00 52.86 54.63 2qao s ASN 145 Cb -0.12 -2.46 -0.03 0.00 -0.55 0.00 0.00 41.25 38.09 2qao s ASN 145 CO -0.04 0.19 -0.05 -0.69 -2.79 0.00 0.00 177.10 173.72 2qao s VAL 146 N -1.20 3.82 -0.02 -5.21 1.01 0.49 -3.85 120.40 115.44 2qao s VAL 146 Ca 0.36 -0.41 -0.09 0.00 0.00 0.00 0.00 61.98 61.84 2qao s VAL 146 Cb -0.21 -2.62 0.01 0.00 0.00 0.00 0.00 36.38 33.56 2qao s VAL 146 CO 0.24 0.55 0.19 -0.69 0.00 0.00 0.00 175.10 175.39 2qao s VAL 147 N -0.23 0.06 0.97 2.92 1.01 -1.26 -0.11 120.40 123.76 2qao s VAL 147 Ca 0.04 -0.48 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 2qao s VAL 147 Cb -0.13 -0.44 0.18 0.00 0.00 0.00 0.00 36.38 35.99 2qao s VAL 147 CO 0.02 -0.27 1.12 0.00 0.00 0.00 0.00 175.10 175.98 2qao s ALA 148 N -1.02 1.02 -0.70 5.51 0.00 -1.26 -4.05 121.76 121.26 2qao s ALA 148 Ca -0.11 0.45 0.00 0.00 0.00 0.00 0.00 51.96 52.30 2qao s ALA 148 Cb -0.06 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.65 2qao s ALA 148 CO 0.02 -3.03 0.18 0.39 0.00 0.00 0.00 175.76 173.32