#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2qao s ALA 2 N 0.00 3.35 -0.11 0.00 0.00 -1.26 -4.96 121.76 118.78 2qao s ALA 2 Ca 0.00 0.72 0.21 0.00 0.00 0.00 0.00 51.96 52.89 2qao s ALA 2 Cb 0.00 -3.25 -0.22 0.00 0.00 0.00 0.00 23.12 19.65 2qao s ALA 2 CO 0.00 0.06 0.62 1.63 0.00 0.00 0.00 175.76 178.07 2qao n LYS 3 N 1.29 0.64 -3.65 0.00 5.02 -1.26 -4.77 118.16 115.45 2qao n LYS 3 Ca -0.01 -0.04 -0.29 0.00 -2.02 0.00 0.00 58.31 55.94 2qao n LYS 3 Cb 0.46 -1.63 -0.15 0.00 -0.02 0.00 0.00 35.03 33.69 2qao n LYS 3 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2qao s ILE 4 N -3.28 0.48 0.00 -0.18 -1.09 -1.26 -4.90 121.20 110.96 2qao s ILE 4 Ca -0.06 -1.16 0.00 0.00 -2.23 0.00 0.00 60.65 57.20 2qao s ILE 4 Cb 0.11 -1.38 0.00 0.00 -1.58 0.00 0.00 42.46 39.62 2qao s ILE 4 CO 0.86 -0.71 0.00 0.54 -1.23 0.00 0.00 174.94 174.40 2qao n ARG 5 N 4.98 -0.34 0.00 2.79 5.12 -1.26 -4.93 116.66 123.01 2qao n ARG 5 Ca -0.03 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.89 2qao n ARG 5 Cb 0.42 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.72 2qao n ARG 5 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 2qao n ARG 6 N -1.12 0.00 -2.66 5.56 3.00 -1.26 -4.26 116.66 115.91 2qao n ARG 6 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.85 57.43 2qao n ARG 6 Cb 0.00 -0.25 -0.03 0.00 0.00 0.00 0.00 32.46 32.18 2qao n ARG 6 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2qao s ASP 7 N -2.52 6.31 -0.12 6.15 1.11 -1.21 -4.14 116.67 122.24 2qao s ASP 7 Ca 0.00 -1.02 -0.01 0.00 0.18 0.00 0.00 52.55 51.70 2qao s ASP 7 Cb 0.00 -2.51 0.03 0.00 1.07 0.00 0.00 42.92 41.51 2qao s ASP 7 CO 0.00 -1.58 -0.04 -1.81 1.18 0.00 0.00 175.17 172.93 2qao s ASP 8 N 4.05 2.25 -0.67 0.27 -0.00 -1.26 -4.86 116.67 116.44 2qao s ASP 8 Ca 0.35 -0.39 -0.25 0.00 -0.00 0.00 0.00 52.55 52.26 2qao s ASP 8 Cb -0.07 -0.72 -0.12 0.00 -0.00 0.00 0.00 42.92 42.00 2qao s ASP 8 CO 0.04 -0.18 2.42 1.21 -0.00 0.00 0.00 175.17 178.67 2qao n GLU 9 N 5.00 0.72 -3.73 8.23 4.07 -1.26 -3.08 120.64 130.58 2qao n GLU 9 Ca -0.10 -0.34 -0.23 0.00 -0.06 0.00 0.00 57.16 56.42 2qao n GLU 9 Cb 0.49 -3.29 -0.02 0.00 -0.06 0.00 0.00 31.44 28.56 2qao n GLU 9 CO 0.00 0.00 0.00 0.14 -0.06 0.00 0.00 177.13 177.21 2qao s VAL 10 N 12.43 5.20 -0.24 6.31 -7.23 -0.63 0.16 120.40 136.39 2qao s VAL 10 Ca 1.01 -0.69 -0.02 0.00 -1.81 0.00 0.00 61.98 60.46 2qao s VAL 10 Cb -0.27 -3.83 -0.14 0.00 0.56 0.00 0.00 36.38 32.70 2qao s VAL 10 CO 0.22 -0.36 -0.24 0.00 -0.31 0.00 0.00 175.10 174.41 2qao n ILE 11 N -1.34 1.38 -0.98 -0.62 0.00 0.17 -2.00 119.36 115.97 2qao n ILE 11 Ca -0.07 -0.48 0.00 0.00 0.00 0.00 0.00 62.75 62.20 2qao n ILE 11 Cb 0.56 -1.48 0.00 0.00 0.00 0.00 0.00 39.64 38.72 2qao n ILE 11 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 176.55 177.07 2qao n VAL 12 N -3.45 -2.01 -1.31 9.51 0.31 -1.26 -1.48 118.33 118.63 2qao n VAL 12 Ca -0.45 0.00 -0.05 0.00 -0.01 0.00 0.00 64.34 63.84 2qao n VAL 12 Cb 0.93 -2.96 0.21 0.00 -0.91 0.00 0.00 33.84 31.11 2qao n VAL 12 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2qao n LEU 13 N 0.00 4.61 -4.92 7.52 4.32 0.13 -3.63 117.00 125.03 2qao n LEU 13 Ca 0.00 -3.58 -0.23 0.00 -0.02 0.00 0.00 56.01 52.18 2qao n LEU 13 Cb 0.00 -0.66 -0.00 0.00 -1.62 0.00 0.00 43.42 41.14 2qao n LEU 13 CO 0.00 1.09 0.08 0.28 -1.22 0.00 0.00 177.39 177.63 2qao s THR 14 N -3.17 2.09 0.40 -5.08 -1.32 -1.21 -5.00 115.64 102.35 2qao s THR 14 Ca 0.47 -1.36 -0.06 0.00 -1.21 0.00 0.00 61.69 59.53 2qao s THR 14 Cb 0.41 -2.45 0.09 0.00 -1.51 0.00 0.00 72.50 69.05 2qao s THR 14 CO 0.04 0.00 0.21 0.61 -2.21 0.00 0.00 174.62 173.27 2qao n GLY 15 N -1.77 -2.82 7.00 6.08 0.00 -1.26 -2.90 105.19 109.51 2qao n GLY 15 Ca 0.03 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.13 2qao n GLY 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 16 N -2.16 0.00 -1.45 1.61 5.02 -1.26 -2.81 118.16 117.12 2qao n LYS 16 Ca 0.03 0.00 -0.42 0.00 -2.02 0.00 0.00 58.31 55.90 2qao n LYS 16 Cb 0.15 0.00 -0.02 0.00 -0.02 0.00 0.00 35.03 35.13 2qao n LYS 16 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 2qao n ASP 17 N 4.98 3.50 0.00 4.39 10.43 -1.26 -4.82 116.55 133.77 2qao n ASP 17 Ca 0.00 -2.75 0.00 0.00 2.57 0.00 0.00 54.79 54.61 2qao n ASP 17 Cb 0.00 -1.42 0.00 0.00 1.84 0.00 0.00 41.12 41.54 2qao n ASP 17 CO 0.00 0.00 0.00 1.17 -1.07 0.00 0.00 177.20 177.30 2qao n LYS 18 N 6.33 0.00 -1.53 -1.24 0.00 -1.12 -4.53 118.16 116.06 2qao n LYS 18 Ca 0.52 0.00 -0.22 0.00 0.00 0.00 0.00 58.31 58.61 2qao n LYS 18 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 35.03 35.29 2qao n LYS 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 2qao n GLY 19 N 1.58 -0.24 0.00 3.14 0.00 -1.24 -4.56 105.19 103.86 2qao n GLY 19 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.37 2qao n GLY 19 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2qao n LYS 20 N 7.82 0.06 -3.51 1.61 4.01 -0.55 -5.07 118.16 122.53 2qao n LYS 20 Ca 0.54 0.00 -0.09 0.00 -0.51 0.00 0.00 58.31 58.25 2qao n LYS 20 Cb 0.32 0.00 -0.03 0.00 -0.51 0.00 0.00 35.03 34.82 2qao n LYS 20 CO 0.00 0.00 0.00 1.03 -1.11 0.00 0.00 177.40 177.32 2qao s ARG 21 N 1.11 0.80 0.00 1.97 0.52 -1.23 -4.19 118.95 117.93 2qao s ARG 21 Ca 0.00 -0.22 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 2qao s ARG 21 Cb 0.00 0.37 0.00 0.00 0.52 0.00 0.00 34.95 35.84 2qao s ARG 21 CO 0.00 -0.34 0.00 0.41 0.02 0.00 0.00 175.30 175.39 2qao n GLY 22 N -0.08 2.89 3.64 -3.53 0.00 -0.85 -4.91 105.19 102.36 2qao n GLY 22 Ca -0.09 -0.67 -0.42 0.00 0.00 0.00 0.00 46.02 44.83 2qao n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 23 N -2.00 4.11 -0.33 1.61 3.01 -1.26 -1.61 119.74 123.27 2qao s LYS 23 Ca 0.00 0.95 -0.27 0.00 -1.01 0.00 0.00 55.97 55.64 2qao s LYS 23 Cb 0.00 -3.69 -0.06 0.00 -1.01 0.00 0.00 37.83 33.08 2qao s LYS 23 CO 0.00 -0.67 2.28 0.08 0.51 0.00 0.00 175.35 177.55 2qao s VAL 24 N 3.11 3.02 0.14 3.17 1.01 -1.18 -1.26 120.40 128.42 2qao s VAL 24 Ca 0.38 0.02 -0.18 0.00 0.00 0.00 0.00 61.98 62.20 2qao s VAL 24 Cb -0.14 -3.04 0.00 0.00 0.00 0.00 0.00 36.38 33.20 2qao s VAL 24 CO 0.10 -0.03 1.71 0.11 0.00 0.00 0.00 175.10 176.99 2qao h LYS 25 N 16.74 0.06 -1.67 2.72 1.57 0.14 -3.22 116.57 132.91 2qao h LYS 25 Ca -0.34 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.52 2qao h LYS 25 Cb 1.25 -0.01 -0.25 0.00 0.08 0.00 0.00 32.23 33.30 2qao h LYS 25 CO 1.04 0.04 0.24 0.54 -0.57 0.00 0.00 179.45 180.74 2qao s ASN 26 N -5.24 -0.68 0.29 0.86 6.03 -1.17 -4.71 114.94 110.33 2qao s ASN 26 Ca -0.13 1.06 -0.26 0.00 -1.03 0.00 0.00 52.86 52.50 2qao s ASN 26 Cb 0.11 1.33 -0.09 0.00 -3.03 0.00 0.00 41.25 39.57 2qao s ASN 26 CO 0.69 -0.17 0.91 0.54 -2.03 0.00 0.00 177.10 177.05 2qao s VAL 27 N 1.55 4.22 0.04 3.54 0.11 -1.26 -2.18 120.40 126.42 2qao s VAL 27 Ca -0.09 1.82 0.04 0.00 -2.93 0.00 0.00 61.98 60.82 2qao s VAL 27 Cb -0.04 -4.07 -0.04 0.00 -1.53 0.00 0.00 36.38 30.70 2qao s VAL 27 CO -0.17 0.25 -0.04 -0.76 -3.33 0.00 0.00 175.10 171.05 2qao s LEU 28 N -1.80 3.30 0.63 2.54 1.43 0.14 -4.97 118.68 119.95 2qao s LEU 28 Ca 0.47 -0.15 0.35 0.00 -1.03 0.00 0.00 54.13 53.76 2qao s LEU 28 Cb -0.20 -1.96 1.94 0.00 0.03 0.00 0.00 46.19 46.00 2qao s LEU 28 CO 0.25 0.24 2.17 0.77 0.23 0.00 0.00 176.35 180.02 2qao h SER 29 N 4.10 0.00 0.00 2.29 4.64 -1.98 0.19 113.55 122.79 2qao h SER 29 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 2qao h SER 29 Cb 1.17 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.26 2qao h SER 29 CO 0.56 0.00 0.02 0.28 -0.87 0.00 0.00 176.83 176.81 2qao h SER 30 N 0.00 0.00 0.00 4.97 0.02 -2.03 -3.44 113.55 113.07 2qao h SER 30 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 2qao h SER 30 Cb 0.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.85 2qao h SER 30 CO -0.00 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.30 2qao n GLY 31 N -1.18 0.21 3.91 -3.77 0.00 0.66 -5.07 105.19 99.95 2qao n GLY 31 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 2qao n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 32 N -0.89 3.38 0.28 1.61 1.02 -1.22 -1.86 119.74 122.06 2qao s LYS 32 Ca 0.00 -0.50 0.10 0.00 0.02 0.00 0.00 55.97 55.59 2qao s LYS 32 Cb 0.00 -2.99 -0.05 0.00 -0.52 0.00 0.00 37.83 34.26 2qao s LYS 32 CO 0.00 0.59 -0.13 0.14 -0.92 0.00 0.00 175.35 175.02 2qao s VAL 33 N -1.55 2.12 -0.28 3.17 -7.23 0.30 0.24 120.40 117.17 2qao s VAL 33 Ca 0.34 -2.26 0.03 0.00 -1.81 0.00 0.00 61.98 58.28 2qao s VAL 33 Cb -0.13 -2.38 0.07 0.00 0.56 0.00 0.00 36.38 34.51 2qao s VAL 33 CO 0.27 -0.36 -0.06 -0.63 -0.31 0.00 0.00 175.10 174.01 2qao s ILE 34 N -2.72 2.13 -0.02 -0.62 1.01 -0.93 -0.69 121.20 119.37 2qao s ILE 34 Ca 0.29 -1.77 -0.18 0.00 0.00 0.00 0.00 60.65 58.99 2qao s ILE 34 Cb -0.01 -2.33 -0.05 0.00 0.01 0.00 0.00 42.46 40.08 2qao s ILE 34 CO 0.13 -0.18 0.52 -0.69 0.00 0.00 0.00 174.94 174.72 2qao s VAL 35 N 1.08 4.98 0.03 2.92 1.01 -1.26 0.16 120.40 129.32 2qao s VAL 35 Ca -0.04 1.07 -0.34 0.00 0.00 0.00 0.00 61.98 62.67 2qao s VAL 35 Cb -0.20 -3.84 -0.12 0.00 0.00 0.00 0.00 36.38 32.22 2qao s VAL 35 CO -0.06 0.46 1.77 1.21 0.00 0.00 0.00 175.10 178.47 2qao n GLU 36 N 2.56 2.25 -3.72 2.72 2.13 -0.39 -2.51 120.64 123.69 2qao n GLU 36 Ca -0.09 0.82 -0.30 0.00 0.66 0.00 0.00 57.16 58.24 2qao n GLU 36 Cb 0.51 -2.65 0.04 0.00 0.27 0.00 0.00 31.44 29.61 2qao n GLU 36 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2qao n GLY 37 N 4.02 -0.86 0.00 8.31 0.00 -1.26 -4.57 105.19 110.82 2qao n GLY 37 Ca 0.20 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2qao n GLY 37 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 2qao n ILE 38 N -4.22 0.00 -2.76 -0.61 0.13 -1.04 -4.96 119.36 105.90 2qao n ILE 38 Ca -0.13 -0.27 -0.03 0.00 -1.10 0.00 0.00 62.75 61.22 2qao n ILE 38 Cb 0.61 1.11 0.01 0.00 -0.84 0.00 0.00 39.64 40.53 2qao n ILE 38 CO 0.00 0.00 0.00 0.21 2.80 0.00 0.00 176.55 179.56 2qao s ASN 39 N -0.41 -1.14 1.00 9.51 3.84 -1.26 -4.73 114.94 121.74 2qao s ASN 39 Ca 0.00 -1.32 -0.15 0.00 0.21 0.00 0.00 52.86 51.60 2qao s ASN 39 Cb 0.00 1.49 0.19 0.00 -0.55 0.00 0.00 41.25 42.39 2qao s ASN 39 CO 0.00 -0.05 1.19 -0.76 -2.79 0.00 0.00 177.10 174.69 2qao s LEU 40 N 0.96 1.89 0.00 3.21 1.02 -1.26 -0.34 118.68 124.17 2qao s LEU 40 Ca 0.27 0.67 0.00 0.00 0.02 0.00 0.00 54.13 55.09 2qao s LEU 40 Cb 0.03 -2.76 0.00 0.00 0.02 0.00 0.00 46.19 43.48 2qao s LEU 40 CO -0.07 -2.99 0.00 1.33 0.02 0.00 0.00 176.35 174.64 2qao n VAL 41 N -4.01 0.00 0.00 -1.59 0.24 -0.93 -4.78 118.33 107.27 2qao n VAL 41 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.41 2qao n VAL 41 Cb 0.59 0.00 0.00 0.00 -1.47 0.00 0.00 33.84 32.96 2qao n VAL 41 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2qao n LYS 42 N 0.00 0.00 -1.27 7.34 3.00 -1.25 -4.78 118.16 121.20 2qao n LYS 42 Ca 0.00 0.00 -0.59 0.00 -0.00 0.00 0.00 58.31 57.72 2qao n LYS 42 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 35.03 34.92 2qao n LYS 42 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.40 178.57 2qao n LYS 43 N 0.00 0.00 -0.82 1.64 0.00 -1.24 -4.48 118.16 113.26 2qao n LYS 43 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.18 2qao n LYS 43 Cb 0.00 -1.44 -0.11 0.00 0.00 0.00 0.00 35.03 33.48 2qao n LYS 43 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.40 178.12 2qao n HIS 44 N 6.77 0.34 -1.13 5.64 8.25 -1.26 -1.12 115.22 132.71 2qao n HIS 44 Ca 0.50 -1.41 -0.53 0.00 -0.26 0.00 0.00 57.72 56.02 2qao n HIS 44 Cb -0.04 -1.46 -0.11 0.00 1.12 0.00 0.00 29.99 29.50 2qao n HIS 44 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 2qao n GLN 45 N 2.85 0.00 -3.03 -0.41 0.00 -0.65 -4.84 117.38 111.30 2qao n GLN 45 Ca 0.38 0.00 -0.39 0.00 -0.00 0.00 0.00 57.00 57.00 2qao n GLN 45 Cb 0.61 -1.35 -0.06 0.00 0.00 0.00 0.00 30.24 29.45 2qao n GLN 45 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.06 177.27 2qao s LYS 46 N 5.48 4.48 0.00 3.69 2.20 -1.26 -1.28 119.74 133.06 2qao s LYS 46 Ca 1.08 1.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.76 2qao s LYS 46 Cb -1.34 -3.20 0.00 0.00 -1.51 0.00 0.00 37.83 31.78 2qao s LYS 46 CO 0.59 0.55 0.00 -0.35 -0.36 0.00 0.00 175.35 175.78 2qao n PRO 47 N 1.48 1.54 -2.72 4.03 -0.04 -1.26 -4.86 135.00 133.17 2qao n PRO 47 Ca -0.06 0.00 -0.08 0.00 -0.04 0.00 0.00 63.50 63.32 2qao n PRO 47 Cb 0.49 0.00 0.10 0.00 -0.04 0.00 0.00 33.50 34.05 2qao n PRO 47 CO 0.00 0.00 0.00 1.55 -0.04 0.00 0.00 175.50 177.01 2qao n VAL 48 N -0.57 0.03 -0.43 0.52 3.14 -1.26 -4.97 118.33 114.79 2qao n VAL 48 Ca 0.00 -1.62 -0.12 0.00 -2.96 0.00 0.00 64.34 59.65 2qao n VAL 48 Cb 0.00 1.16 -0.04 0.00 -1.06 0.00 0.00 33.84 33.90 2qao n VAL 48 CO 0.00 0.00 0.00 -2.65 -6.46 0.00 0.00 176.83 167.72 2qao n PRO 49 N -0.18 0.00 -0.61 1.45 -0.02 -1.26 -4.57 135.00 129.81 2qao n PRO 49 Ca 0.02 0.00 -0.03 0.00 -2.02 0.00 0.00 63.50 61.47 2qao n PRO 49 Cb 0.78 -0.42 -0.03 0.00 -0.02 0.00 0.00 33.50 33.82 2qao n PRO 49 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2qao n ALA 50 N 2.95 1.54 -0.46 3.55 0.00 -1.26 -5.10 120.51 121.74 2qao n ALA 50 Ca 0.19 -0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.37 2qao n ALA 50 Cb 0.01 -0.18 0.00 0.00 0.00 0.00 0.00 19.45 19.28 2qao n ALA 50 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2qao n LEU 51 N 0.00 -2.82 -2.12 0.00 0.00 -1.26 -4.99 117.00 105.81 2qao n LEU 51 Ca -0.10 0.61 -0.02 0.00 0.00 0.00 0.00 56.01 56.50 2qao n LEU 51 Cb 0.44 -0.17 0.00 0.00 0.00 0.00 0.00 43.42 43.70 2qao n LEU 51 CO -0.05 -0.17 0.07 0.59 0.00 0.00 0.00 177.39 177.83 2qao n ASN 52 N -0.15 -4.57 0.00 1.96 5.03 -1.26 -5.06 115.26 111.21 2qao n ASN 52 Ca 0.00 0.13 0.00 0.00 0.87 0.00 0.00 54.58 55.58 2qao n ASN 52 Cb 0.00 -2.90 0.00 0.00 -1.02 0.00 0.00 39.78 35.86 2qao n ASN 52 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 2qao n GLN 53 N -0.76 0.00 -0.16 3.52 0.00 -1.26 -4.95 117.38 113.76 2qao n GLN 53 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 57.00 56.98 2qao n GLN 53 Cb 0.31 0.00 0.04 0.00 0.00 0.00 0.00 30.24 30.59 2qao n GLN 53 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.06 176.06 2qao h PRO 54 N 0.00 0.56 -0.84 2.61 0.13 -1.98 -3.37 132.00 129.10 2qao h PRO 54 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2qao h PRO 54 Cb 0.00 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 31.00 2qao h PRO 54 CO 0.00 0.37 -0.09 0.41 -0.23 0.00 0.00 178.00 178.46 2qao n GLY 55 N -1.24 -3.65 0.00 1.56 0.00 -1.26 -4.63 105.19 95.97 2qao n GLY 55 Ca 0.03 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.23 2qao n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2qao n GLY 56 N -0.12 1.70 3.86 -0.02 0.00 -0.40 -4.75 105.19 105.46 2qao n GLY 56 Ca 0.00 -0.86 -0.37 0.00 0.00 0.00 0.00 46.02 44.79 2qao n GLY 56 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2qao s ILE 57 N -2.66 5.24 0.00 -0.61 1.01 -1.26 -1.63 121.20 121.29 2qao s ILE 57 Ca 0.00 0.47 0.00 0.00 0.00 0.00 0.00 60.65 61.12 2qao s ILE 57 Cb 0.00 -3.58 0.00 0.00 0.01 0.00 0.00 42.46 38.89 2qao s ILE 57 CO 0.00 0.52 0.00 0.52 0.00 0.00 0.00 174.94 175.98 2qao n VAL 58 N 1.63 0.00 -2.68 2.92 0.31 -0.27 -4.92 118.33 115.31 2qao n VAL 58 Ca -0.15 0.00 -0.06 0.00 -0.01 0.00 0.00 64.34 64.13 2qao n VAL 58 Cb 0.53 0.00 0.07 0.00 -0.91 0.00 0.00 33.84 33.53 2qao n VAL 58 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 2qao n GLU 59 N 0.00 0.72 -0.70 5.55 2.13 -1.26 -3.62 120.64 123.47 2qao n GLU 59 Ca 0.00 -1.33 -0.28 0.00 0.66 0.00 0.00 57.16 56.22 2qao n GLU 59 Cb 0.00 -0.14 0.24 0.00 0.27 0.00 0.00 31.44 31.82 2qao n GLU 59 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 2qao n LYS 60 N -0.38 -3.55 0.00 5.31 3.00 -1.26 -4.10 118.16 117.17 2qao n LYS 60 Ca -0.11 -1.51 0.00 0.00 -0.00 0.00 0.00 58.31 56.69 2qao n LYS 60 Cb 0.75 -1.58 0.00 0.00 0.00 0.00 0.00 35.03 34.20 2qao n LYS 60 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2qao n GLU 61 N -4.89 0.73 0.00 1.64 -0.58 -1.26 -2.18 120.64 114.10 2qao n GLU 61 Ca 0.13 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.87 2qao n GLU 61 Cb 0.54 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.41 2qao n GLU 61 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2qao n ALA 62 N -3.00 1.09 -1.07 0.62 0.00 0.54 -4.42 120.51 114.26 2qao n ALA 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2qao n ALA 62 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2qao n ALA 62 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao n ALA 63 N -1.00 -2.65 -2.45 0.00 0.00 -1.26 -5.05 120.51 108.10 2qao n ALA 63 Ca 0.00 0.18 -0.24 0.00 0.00 0.00 0.00 53.44 53.37 2qao n ALA 63 Cb 0.00 -0.85 -0.10 0.00 0.00 0.00 0.00 19.45 18.49 2qao n ALA 63 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 177.50 176.00 2qao s ILE 64 N -0.21 2.39 0.33 0.00 2.07 0.14 -4.85 121.20 121.07 2qao s ILE 64 Ca 0.00 -2.29 -0.29 0.00 -1.41 0.00 0.00 60.65 56.67 2qao s ILE 64 Cb 0.00 -2.23 -0.11 0.00 0.13 0.00 0.00 42.46 40.26 2qao s ILE 64 CO 0.00 -0.33 1.46 -1.10 -1.91 0.00 0.00 174.94 173.06 2qao s GLN 65 N -3.27 4.19 0.39 3.50 -0.21 -1.26 0.11 119.66 123.10 2qao s GLN 65 Ca 0.27 2.46 0.14 0.00 0.02 0.00 0.00 55.36 58.25 2qao s GLN 65 Cb -0.06 -3.02 0.98 0.00 1.00 0.00 0.00 33.01 31.91 2qao s GLN 65 CO 0.13 -0.47 1.86 -0.24 -2.12 0.00 0.00 175.29 174.45 2qao h VAL 66 N 3.15 0.73 0.00 1.09 3.04 -1.68 -0.98 116.25 121.61 2qao h VAL 66 Ca -0.49 -0.18 0.00 0.00 -1.01 0.00 0.00 66.70 65.02 2qao h VAL 66 Cb 1.23 0.17 0.00 0.00 -2.01 0.00 0.00 31.29 30.68 2qao h VAL 66 CO 0.70 0.09 0.00 -1.54 -1.01 0.00 0.00 177.57 175.81 2qao n SER 67 N -4.55 0.12 -0.02 3.17 3.41 -1.26 -1.21 113.62 113.29 2qao n SER 67 Ca 0.19 -0.59 0.00 0.00 -0.26 0.00 0.00 58.87 58.20 2qao n SER 67 Cb 0.61 -0.06 0.00 0.00 -0.26 0.00 0.00 64.21 64.50 2qao n SER 67 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2qao n ASN 68 N -0.14 1.12 -4.07 4.04 3.02 -0.37 -5.02 115.26 113.84 2qao n ASN 68 Ca 0.00 -1.11 -0.14 0.00 -0.03 0.00 0.00 54.58 53.30 2qao n ASN 68 Cb 0.03 -0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.08 2qao n ASN 68 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 2qao s VAL 69 N -0.12 0.61 0.07 2.41 -7.23 -0.35 -0.69 120.40 115.09 2qao s VAL 69 Ca 0.00 -1.02 0.07 0.00 -1.81 0.00 0.00 61.98 59.23 2qao s VAL 69 Cb 0.00 -0.64 -0.03 0.00 0.56 0.00 0.00 36.38 36.27 2qao s VAL 69 CO 0.00 -0.30 -0.20 0.00 -0.31 0.00 0.00 175.10 174.29 2qao s ALA 70 N -1.23 1.73 -0.28 1.32 0.00 -1.26 -4.86 121.76 117.18 2qao s ALA 70 Ca -0.08 -1.13 -0.29 0.00 0.00 0.00 0.00 51.96 50.47 2qao s ALA 70 Cb -0.09 -0.28 -0.00 0.00 0.00 0.00 0.00 23.12 22.74 2qao s ALA 70 CO 0.01 0.36 1.31 0.96 0.00 0.00 0.00 175.76 178.40 2qao s ILE 71 N -0.97 4.14 -0.12 0.00 -4.36 -1.26 -0.65 121.20 117.97 2qao s ILE 71 Ca 0.06 1.30 -0.29 0.00 -0.26 0.00 0.00 60.65 61.46 2qao s ILE 71 Cb -0.09 -4.11 -0.05 0.00 1.25 0.00 0.00 42.46 39.46 2qao s ILE 71 CO 0.03 -0.42 1.66 0.12 0.24 0.00 0.00 174.94 176.57 2qao s PHE 72 N 4.30 1.99 -0.50 1.37 5.36 0.41 -4.15 117.98 126.76 2qao s PHE 72 Ca 0.57 0.33 0.25 0.00 -0.96 0.00 0.00 56.93 57.12 2qao s PHE 72 Cb -0.18 -3.93 0.69 0.00 -0.34 0.00 0.00 43.02 39.26 2qao s PHE 72 CO 0.22 -3.54 1.72 -2.95 -1.46 0.00 0.00 175.22 169.21 2qao h ASN 73 N 10.17 0.00 0.00 6.13 -0.00 -1.36 -3.45 115.58 127.08 2qao h ASN 73 Ca -0.37 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 55.93 2qao h ASN 73 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.49 2qao h ASN 73 CO 0.97 0.00 0.00 0.00 -0.00 0.00 0.00 177.43 178.40 2qao n ALA 74 N -1.95 0.00 0.42 4.14 0.00 -1.26 -4.61 120.51 117.25 2qao n ALA 74 Ca 0.04 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.60 2qao n ALA 74 Cb 0.44 -0.35 0.17 0.00 0.00 0.00 0.00 19.45 19.71 2qao n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2qao h ALA 75 N 0.00 0.68 0.00 0.00 0.00 -1.93 -3.37 119.26 114.64 2qao h ALA 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2qao h ALA 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2qao h ALA 75 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.50 2qao n THR 76 N -2.41 0.00 -2.51 0.00 -2.24 -1.26 -5.05 114.28 100.81 2qao n THR 76 Ca 0.03 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.73 2qao n THR 76 Cb 0.48 1.58 0.04 0.00 -2.10 0.00 0.00 70.33 70.33 2qao n THR 76 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2qao n GLY 77 N 0.00 -0.10 0.00 3.38 0.00 -1.26 -4.99 105.19 102.23 2qao n GLY 77 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2qao n GLY 77 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2qao n LYS 78 N -2.46 0.00 -3.73 1.61 0.00 -1.26 -5.00 118.16 107.32 2qao n LYS 78 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 58.31 58.12 2qao n LYS 78 Cb 0.57 0.00 -0.07 0.00 0.00 0.00 0.00 35.03 35.53 2qao n LYS 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2qao s ALA 79 N -1.00 -0.77 -0.41 3.14 0.00 -1.26 -1.00 121.76 120.46 2qao s ALA 79 Ca 0.00 0.09 0.09 0.00 0.00 0.00 0.00 51.96 52.14 2qao s ALA 79 Cb 0.00 0.32 0.28 0.00 0.00 0.00 0.00 23.12 23.71 2qao s ALA 79 CO 0.00 -0.42 0.61 -0.25 0.00 0.00 0.00 175.76 175.70 2qao n ASP 80 N 0.59 0.80 0.00 0.00 10.43 -1.26 -4.97 116.55 122.14 2qao n ASP 80 Ca -0.19 -2.87 0.00 0.00 2.57 0.00 0.00 54.79 54.30 2qao n ASP 80 Cb 0.59 -0.64 0.00 0.00 1.84 0.00 0.00 41.12 42.92 2qao n ASP 80 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2qao n ARG 81 N 1.03 0.00 0.14 -1.24 3.00 -1.26 0.80 116.66 119.13 2qao n ARG 81 Ca 0.23 0.00 0.00 0.00 -0.01 0.00 0.00 57.85 58.07 2qao n ARG 81 Cb 0.55 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2qao n ARG 81 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.63 177.91 2qao n VAL 82 N 0.00 0.00 -1.24 1.55 0.31 -1.26 -4.78 118.33 112.92 2qao n VAL 82 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 64.34 64.48 2qao n VAL 82 Cb 0.00 -0.13 -0.08 0.00 -0.91 0.00 0.00 33.84 32.72 2qao n VAL 82 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2qao n GLY 83 N -0.29 -3.19 3.21 2.92 0.00 -1.26 0.43 105.19 107.01 2qao n GLY 83 Ca 0.00 -1.11 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2qao n GLY 83 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2qao s PHE 84 N -3.98 -0.05 0.00 1.61 0.40 -1.26 -2.82 117.98 111.88 2qao s PHE 84 Ca 0.00 -0.06 0.00 0.00 -0.60 0.00 0.00 56.93 56.27 2qao s PHE 84 Cb 0.00 0.04 0.00 0.00 0.51 0.00 0.00 43.02 43.57 2qao s PHE 84 CO 0.00 -0.44 0.00 -2.13 0.70 0.00 0.00 175.22 173.35 2qao n ARG 85 N 0.81 -0.30 0.00 0.44 0.00 0.21 -4.98 116.66 112.84 2qao n ARG 85 Ca -0.20 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.65 2qao n ARG 85 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 32.46 33.04 2qao n ARG 85 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.63 177.97 2qao n PHE 86 N -1.55 0.00 -0.19 -0.14 -0.00 -1.23 -4.11 117.46 110.23 2qao n PHE 86 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 2qao n PHE 86 Cb 0.00 0.00 0.01 0.00 -0.00 0.00 0.00 39.48 39.49 2qao n PHE 86 CO 0.00 0.00 0.00 1.05 -0.00 0.00 0.00 176.76 177.81 2qao h GLU 87 N 0.00 1.00 -6.76 -4.13 -0.00 -1.95 -3.44 114.58 99.30 2qao h GLU 87 Ca 0.00 -0.34 -0.44 0.00 -0.00 0.00 0.00 59.36 58.58 2qao h GLU 87 Cb 0.00 -0.08 0.04 0.00 -0.00 0.00 0.00 28.75 28.71 2qao h GLU 87 CO 0.00 1.02 -0.08 0.34 -0.00 0.00 0.00 179.01 180.29 2qao s ASP 88 N -6.54 5.30 -0.88 3.06 -1.08 -1.26 -4.94 116.67 110.32 2qao s ASP 88 Ca -0.12 -0.16 -0.25 0.00 -0.52 0.00 0.00 52.55 51.50 2qao s ASP 88 Cb 0.13 -0.73 -0.24 0.00 -1.46 0.00 0.00 42.92 40.62 2qao s ASP 88 CO 0.85 -1.11 1.97 0.61 0.52 0.00 0.00 175.17 178.01 2qao n GLY 89 N -2.26 -0.33 3.64 2.66 0.00 -1.26 -4.76 105.19 102.88 2qao n GLY 89 Ca 0.09 -0.04 -0.05 0.00 0.00 0.00 0.00 46.02 46.01 2qao n GLY 89 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2qao s LYS 90 N 8.11 0.62 0.00 1.61 1.02 -1.26 -5.09 119.74 124.74 2qao s LYS 90 Ca 0.74 1.11 0.00 0.00 0.02 0.00 0.00 55.97 57.84 2qao s LYS 90 Cb -0.02 0.18 0.00 0.00 -0.52 0.00 0.00 37.83 37.47 2qao s LYS 90 CO 0.19 -0.14 0.69 1.17 -0.92 0.00 0.00 175.35 176.35 2qao n LYS 91 N 4.27 0.00 -1.58 1.68 3.00 -1.26 -3.73 118.16 120.54 2qao n LYS 91 Ca -0.19 0.33 0.00 0.00 -0.00 0.00 0.00 58.31 58.45 2qao n LYS 91 Cb 0.58 -1.19 0.00 0.00 0.00 0.00 0.00 35.03 34.42 2qao n LYS 91 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 2qao n VAL 92 N -1.27 -9.96 -3.54 3.15 0.31 -1.26 -0.62 118.33 105.14 2qao n VAL 92 Ca 0.00 2.35 -0.35 0.00 -0.01 0.00 0.00 64.34 66.33 2qao n VAL 92 Cb 0.00 -4.46 -0.05 0.00 -0.91 0.00 0.00 33.84 28.42 2qao n VAL 92 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2qao s ARG 93 N -1.39 3.79 -0.07 5.55 0.52 -1.26 -1.39 118.95 124.71 2qao s ARG 93 Ca 0.00 0.22 -0.01 0.00 -0.52 0.00 0.00 55.73 55.41 2qao s ARG 93 Cb 0.00 -2.98 0.03 0.00 0.52 0.00 0.00 34.95 32.52 2qao s ARG 93 CO 0.00 0.54 0.00 -0.59 0.02 0.00 0.00 175.30 175.28 2qao s PHE 94 N -1.42 0.67 0.06 -0.53 -0.12 0.17 -2.14 117.98 114.68 2qao s PHE 94 Ca 0.34 -0.17 -0.33 0.00 -0.05 0.00 0.00 56.93 56.72 2qao s PHE 94 Cb -0.14 -0.79 -0.12 0.00 -0.63 0.00 0.00 43.02 41.33 2qao s PHE 94 CO 0.18 -0.32 1.74 1.19 -0.05 0.00 0.00 175.22 177.96 2qao n PHE 95 N 5.11 2.36 -0.20 3.49 3.01 -1.25 -4.15 117.46 125.82 2qao n PHE 95 Ca -0.08 0.09 -0.21 0.00 1.01 0.00 0.00 57.45 58.27 2qao n PHE 95 Cb 0.50 -2.62 0.20 0.00 -0.01 0.00 0.00 39.48 37.55 2qao n PHE 95 CO 0.00 0.00 0.00 1.63 1.01 0.00 0.00 176.76 179.40 2qao n LYS 96 N 5.02 -3.58 0.00 -1.08 4.76 0.24 -0.53 118.16 122.99 2qao n LYS 96 Ca 0.19 -0.99 0.00 0.00 -2.87 0.00 0.00 58.31 54.65 2qao n LYS 96 Cb 0.31 -1.36 0.00 0.00 -1.84 0.00 0.00 35.03 32.13 2qao n LYS 96 CO 0.00 0.00 0.00 -1.13 -1.37 0.00 0.00 177.40 174.90 2qao n SER 97 N -4.40 0.00 -0.01 4.39 3.41 -1.26 -3.68 113.62 112.08 2qao n SER 97 Ca 0.09 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 2qao n SER 97 Cb 0.41 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.36 2qao n SER 97 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 2qao n ASN 98 N 1.01 0.63 -3.09 4.04 0.23 -1.24 -4.99 115.26 111.85 2qao n ASN 98 Ca 0.00 -0.82 -0.19 0.00 -0.53 0.00 0.00 54.58 53.05 2qao n ASN 98 Cb 0.00 0.39 -0.01 0.00 -2.08 0.00 0.00 39.78 38.08 2qao n ASN 98 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 2qao n SER 99 N -0.38 -3.34 -0.31 0.53 7.64 0.31 -4.79 113.62 113.29 2qao n SER 99 Ca 0.00 -0.18 0.20 0.00 1.01 0.00 0.00 58.87 59.90 2qao n SER 99 Cb 0.01 -2.81 0.47 0.00 -1.01 0.00 0.00 64.21 60.87 2qao n SER 99 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 2qao h GLU 100 N -0.62 0.45 -5.19 1.43 4.57 -1.80 -3.45 114.58 109.98 2qao h GLU 100 Ca -0.35 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.81 2qao h GLU 100 Cb 1.24 -0.10 -0.05 0.00 -0.16 0.00 0.00 28.75 29.68 2qao h GLU 100 CO 0.44 0.30 -1.19 2.41 -1.18 0.00 0.00 179.01 179.79 2qao n THR 101 N -4.62-11.59 1.55 0.32 -1.04 -1.26 -4.90 114.28 92.74 2qao n THR 101 Ca 0.23 2.07 0.12 0.00 -2.04 0.00 0.00 64.05 64.44 2qao n THR 101 Cb 0.77 -6.50 0.74 0.00 -1.82 0.00 0.00 70.33 63.52 2qao n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43