#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1qt9 s THR 2 N 0.00 0.85 -0.00 0.00 2.01 -1.26 -1.39 115.64 115.84 1qt9 s THR 2 Ca 0.00 -0.30 0.01 0.00 0.31 0.00 0.00 61.69 61.71 1qt9 s THR 2 Cb 0.00 -0.98 -0.04 0.00 0.01 0.00 0.00 72.50 71.49 1qt9 s THR 2 CO 0.00 0.23 0.03 -0.36 -0.69 0.00 0.00 174.62 173.83 1qt9 s PHE 3 N 1.77 3.16 -0.00 4.92 0.08 0.04 -4.84 117.98 123.10 1qt9 s PHE 3 Ca 0.03 0.13 -0.30 0.00 0.12 0.00 0.00 56.93 56.91 1qt9 s PHE 3 Cb -0.14 -1.70 -0.04 0.00 -0.57 0.00 0.00 43.02 40.58 1qt9 s PHE 3 CO -0.07 0.50 1.21 0.21 -0.10 0.00 0.00 175.22 176.96 1qt9 s LYS 4 N -1.63 4.39 -0.16 0.44 2.20 -1.26 -0.33 119.74 123.39 1qt9 s LYS 4 Ca 0.21 1.73 0.01 0.00 -0.36 0.00 0.00 55.97 57.56 1qt9 s LYS 4 Cb -0.12 -3.47 0.02 0.00 -1.51 0.00 0.00 37.83 32.75 1qt9 s LYS 4 CO 0.12 -0.37 -0.19 0.08 -0.36 0.00 0.00 175.35 174.63 1qt9 s VAL 5 N 1.72 1.90 -0.29 4.02 1.01 -0.07 -0.82 120.40 127.87 1qt9 s VAL 5 Ca 0.57 -0.85 -0.10 0.00 0.00 0.00 0.00 61.98 61.61 1qt9 s VAL 5 Cb -0.27 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.36 1qt9 s VAL 5 CO 0.25 0.51 0.15 -0.89 0.00 0.00 0.00 175.10 175.13 1qt9 s THR 6 N 1.23 4.80 -0.26 3.92 2.01 0.31 -0.84 115.64 126.81 1qt9 s THR 6 Ca 0.02 -0.17 -0.17 0.00 0.31 0.00 0.00 61.69 61.68 1qt9 s THR 6 Cb -0.14 -3.35 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1qt9 s THR 6 CO -0.10 0.18 0.47 -0.76 -0.69 0.00 0.00 174.62 173.73 1qt9 s LEU 7 N 1.67 4.05 -0.18 4.42 1.43 0.64 -0.88 118.68 129.82 1qt9 s LEU 7 Ca 0.06 0.46 -0.03 0.00 -1.03 0.00 0.00 54.13 53.59 1qt9 s LEU 7 Cb -0.16 -2.59 -0.01 0.00 0.03 0.00 0.00 46.19 43.46 1qt9 s LEU 7 CO 0.07 -0.24 -0.08 -0.63 0.23 0.00 0.00 176.35 175.70 1qt9 s ILE 8 N 2.18 3.27 -0.53 -0.59 1.01 0.21 -1.16 121.20 125.59 1qt9 s ILE 8 Ca 0.19 -0.55 -0.09 0.00 0.00 0.00 0.00 60.65 60.20 1qt9 s ILE 8 Cb -0.16 -2.45 0.14 0.00 0.01 0.00 0.00 42.46 40.00 1qt9 s ILE 8 CO 0.09 0.47 0.41 0.21 0.00 0.00 0.00 174.94 176.12 1qt9 s ASN 9 N 1.01 5.80 0.19 3.58 3.84 -0.39 -0.89 114.94 128.08 1qt9 s ASN 9 Ca -0.00 -2.09 -0.10 0.00 0.21 0.00 0.00 52.86 50.88 1qt9 s ASN 9 Cb -0.15 -2.03 0.12 0.00 -0.55 0.00 0.00 41.25 38.64 1qt9 s ASN 9 CO -0.00 -0.66 1.78 -0.33 -2.79 0.00 0.00 177.10 175.09 1qt9 h GLU 10 N 8.26 1.01 -0.04 0.43 5.08 -1.84 0.16 114.58 127.65 1qt9 h GLU 10 Ca -0.16 -0.15 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1qt9 h GLU 10 Cb 1.06 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.12 1qt9 h GLU 10 CO 0.85 0.80 -0.44 0.00 -1.00 0.00 0.00 179.01 179.22 1qt9 h ALA 11 N 1.15 1.20 0.00 3.43 0.00 -1.94 -2.75 119.26 120.36 1qt9 h ALA 11 Ca 0.24 -0.41 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1qt9 h ALA 11 Cb 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1qt9 h ALA 11 CO -0.03 0.58 -0.77 0.39 0.00 0.00 0.00 179.25 179.42 1qt9 n GLU 12 N -4.01 0.09 -2.64 0.00 1.02 -1.10 -4.96 120.64 109.03 1qt9 n GLU 12 Ca -0.02 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.02 1qt9 n GLU 12 Cb 0.48 -1.53 0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1qt9 n GLU 12 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1qt9 n GLY 13 N 1.46 0.16 3.55 0.62 0.00 0.00 -5.02 105.19 105.96 1qt9 n GLY 13 Ca 0.04 -0.36 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 1qt9 n GLY 13 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qt9 s THR 14 N -2.85 3.05 -0.12 2.61 -4.23 -0.94 -5.00 115.64 108.16 1qt9 s THR 14 Ca 0.15 -1.78 -0.03 0.00 -1.18 0.00 0.00 61.69 58.85 1qt9 s THR 14 Cb -0.07 -2.52 0.04 0.00 1.34 0.00 0.00 72.50 71.30 1qt9 s THR 14 CO 0.19 -0.15 0.04 -0.75 -0.54 0.00 0.00 174.62 173.40 1qt9 s LYS 15 N -2.93 0.34 -0.08 3.99 2.20 -1.26 -1.26 119.74 120.75 1qt9 s LYS 15 Ca 0.25 0.00 0.04 0.00 -0.36 0.00 0.00 55.97 55.90 1qt9 s LYS 15 Cb -0.08 -1.34 0.00 0.00 -1.51 0.00 0.00 37.83 34.91 1qt9 s LYS 15 CO 0.15 -0.47 -0.19 -1.01 -0.36 0.00 0.00 175.35 173.47 1qt9 s HIS 16 N 2.03 2.05 -0.16 4.03 3.76 -0.31 -4.97 115.29 121.72 1qt9 s HIS 16 Ca 0.03 -0.78 -0.07 0.00 -0.15 0.00 0.00 55.06 54.09 1qt9 s HIS 16 Cb -0.14 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.10 1qt9 s HIS 16 CO -0.06 -0.33 0.07 -1.21 -0.85 0.00 0.00 174.74 172.36 1qt9 s GLU 17 N 0.40 3.80 0.29 1.40 2.02 -1.26 -0.26 118.70 125.08 1qt9 s GLU 17 Ca -0.15 -0.32 0.04 0.00 0.02 0.00 0.00 54.97 54.56 1qt9 s GLU 17 Cb -0.16 -3.17 -0.06 0.00 0.10 0.00 0.00 34.13 30.84 1qt9 s GLU 17 CO 0.06 0.39 0.03 0.96 0.02 0.00 0.00 175.26 176.72 1qt9 s ILE 18 N 0.04 1.15 -0.15 -1.63 -4.36 -0.02 -5.00 121.20 111.23 1qt9 s ILE 18 Ca 0.06 -2.02 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 1qt9 s ILE 18 Cb -0.12 -2.62 0.01 0.00 1.25 0.00 0.00 42.46 40.98 1qt9 s ILE 18 CO 0.01 -0.12 -0.20 -1.61 0.24 0.00 0.00 174.94 173.25 1qt9 s GLU 19 N -3.88 3.05 -0.17 0.37 0.41 -1.26 -0.89 118.70 116.33 1qt9 s GLU 19 Ca 0.34 -0.83 0.01 0.00 -0.41 0.00 0.00 54.97 54.07 1qt9 s GLU 19 Cb 0.07 -2.51 0.02 0.00 -1.78 0.00 0.00 34.13 29.94 1qt9 s GLU 19 CO 0.13 -0.06 -0.16 0.08 -0.49 0.00 0.00 175.26 174.77 1qt9 s VAL 20 N 0.94 1.75 0.53 2.63 1.01 0.56 -4.91 120.40 122.90 1qt9 s VAL 20 Ca -0.04 -0.79 -0.21 0.00 0.00 0.00 0.00 61.98 60.94 1qt9 s VAL 20 Cb -0.15 -1.64 -0.07 0.00 0.00 0.00 0.00 36.38 34.52 1qt9 s VAL 20 CO -0.04 0.44 1.02 -2.65 0.00 0.00 0.00 175.10 173.87 1qt9 n PRO 21 N 4.71 1.17 0.06 2.72 -0.02 -1.26 -0.78 135.00 141.59 1qt9 n PRO 21 Ca -0.18 0.43 0.06 0.00 -2.02 0.00 0.00 63.50 61.79 1qt9 n PRO 21 Cb 0.49 -2.17 0.28 0.00 -0.02 0.00 0.00 33.50 32.08 1qt9 n PRO 21 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1qt9 n ASP 22 N -0.29 0.24 -0.50 2.55 5.68 -0.49 -2.09 116.55 121.66 1qt9 n ASP 22 Ca 0.11 0.60 0.07 0.00 -0.50 0.00 0.00 54.79 55.07 1qt9 n ASP 22 Cb 0.44 -0.63 0.19 0.00 -1.14 0.00 0.00 41.12 39.97 1qt9 n ASP 22 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 1qt9 n ASP 23 N -1.81 1.83 -4.11 -1.12 5.75 -1.26 -4.68 116.55 111.14 1qt9 n ASP 23 Ca 0.00 -3.66 -0.22 0.00 -0.01 0.00 0.00 54.79 50.90 1qt9 n ASP 23 Cb 0.06 -0.50 -0.15 0.00 -1.03 0.00 0.00 41.12 39.50 1qt9 n ASP 23 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 1qt9 s GLU 24 N -3.05 1.14 0.53 0.11 2.12 -0.89 -5.11 118.70 113.54 1qt9 s GLU 24 Ca 0.36 -0.53 -0.21 0.00 0.36 0.00 0.00 54.97 54.96 1qt9 s GLU 24 Cb 0.35 -1.10 -0.06 0.00 0.26 0.00 0.00 34.13 33.58 1qt9 s GLU 24 CO -0.05 0.30 1.20 0.71 -0.54 0.00 0.00 175.26 176.88 1qt9 s TYR 25 N -0.37 2.61 0.19 5.30 2.02 -1.26 -4.40 117.35 121.43 1qt9 s TYR 25 Ca 0.05 1.51 -0.12 0.00 -0.37 0.00 0.00 57.07 58.14 1qt9 s TYR 25 Cb -0.06 -3.45 0.15 0.00 -0.40 0.00 0.00 41.96 38.21 1qt9 s TYR 25 CO -0.00 -1.92 1.80 0.82 -1.57 0.00 0.00 175.55 174.67 1qt9 h ILE 26 N 1.38 0.98 -0.68 2.71 1.08 -1.04 -2.67 117.51 119.27 1qt9 h ILE 26 Ca -0.50 -0.19 0.02 0.00 -0.39 0.00 0.00 64.86 63.79 1qt9 h ILE 26 Cb 1.27 0.36 -0.04 0.00 -3.07 0.00 0.00 36.82 35.35 1qt9 h ILE 26 CO 0.58 0.10 0.44 0.25 -0.69 0.00 0.00 178.15 178.83 1qt9 h LEU 27 N 0.57 0.74 -0.43 1.44 5.85 -1.71 0.14 115.31 121.91 1qt9 h LEU 27 Ca 0.24 -0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.92 1qt9 h LEU 27 Cb 0.12 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 1qt9 h LEU 27 CO -0.15 0.53 0.18 0.44 -0.34 0.00 0.00 178.44 179.10 1qt9 h ASP 28 N 0.88 0.59 -0.56 1.25 3.32 -1.78 -1.72 116.42 118.39 1qt9 h ASP 28 Ca 0.26 -0.16 -0.11 0.00 0.02 0.00 0.00 57.03 57.04 1qt9 h ASP 28 Cb -0.05 -0.15 -0.02 0.00 0.22 0.00 0.00 39.33 39.33 1qt9 h ASP 28 CO -0.08 0.58 -0.08 0.00 -1.72 0.00 0.00 179.24 177.95 1qt9 h ALA 29 N 1.03 0.77 -0.25 3.45 0.00 -1.14 -1.56 119.26 121.55 1qt9 h ALA 29 Ca 0.14 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1qt9 h ALA 29 Cb 0.17 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1qt9 h ALA 29 CO -0.01 0.66 0.11 0.00 0.00 0.00 0.00 179.25 180.01 1qt9 h ALA 30 N 0.94 0.29 -0.25 0.00 0.00 -0.65 -1.80 119.26 117.80 1qt9 h ALA 30 Ca 0.15 0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1qt9 h ALA 30 Cb 0.65 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 18.37 1qt9 h ALA 30 CO 0.04 -0.30 -0.01 0.93 0.00 0.00 0.00 179.25 179.91 1qt9 h GLU 31 N 0.24 0.06 -0.65 0.00 5.08 -1.11 -0.63 114.58 117.56 1qt9 h GLU 31 Ca 0.10 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.54 1qt9 h GLU 31 Cb 0.04 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.24 1qt9 h GLU 31 CO -0.08 0.04 0.43 0.93 -1.00 0.00 0.00 179.01 179.33 1qt9 h GLU 32 N 0.06 0.55 -0.40 2.33 5.08 -0.96 -1.94 114.58 119.31 1qt9 h GLU 32 Ca 0.12 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 1qt9 h GLU 32 Cb 0.16 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.28 1qt9 h GLU 32 CO -0.21 0.37 0.00 1.04 -1.00 0.00 0.00 179.01 179.21 1qt9 n GLN 33 N -4.48 1.92 -0.14 2.33 6.02 -0.70 -4.91 117.38 117.41 1qt9 n GLN 33 Ca 0.10 -1.41 0.00 0.00 -0.01 0.00 0.00 57.00 55.68 1qt9 n GLN 33 Cb 0.30 -1.31 0.00 0.00 1.02 0.00 0.00 30.24 30.25 1qt9 n GLN 33 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1qt9 n GLY 34 N 1.11 0.93 3.02 1.08 0.00 -0.73 -5.06 105.19 105.54 1qt9 n GLY 34 Ca 0.13 -0.06 -0.32 0.00 0.00 0.00 0.00 46.02 45.78 1qt9 n GLY 34 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qt9 s TYR 35 N -2.00 3.56 0.36 1.61 2.02 -0.31 -4.99 117.35 117.59 1qt9 s TYR 35 Ca 0.00 -2.96 -0.27 0.00 -0.37 0.00 0.00 57.07 53.48 1qt9 s TYR 35 Cb 0.00 -2.96 -0.09 0.00 -0.40 0.00 0.00 41.96 38.51 1qt9 s TYR 35 CO 0.00 -0.89 1.15 -0.51 -1.57 0.00 0.00 175.55 173.73 1qt9 s ASP 36 N 0.67 6.79 0.04 2.29 1.01 -1.26 -2.70 116.67 123.51 1qt9 s ASP 36 Ca 0.13 2.32 -0.00 0.00 0.71 0.00 0.00 52.55 55.71 1qt9 s ASP 36 Cb -0.22 -2.62 -0.03 0.00 1.01 0.00 0.00 42.92 41.07 1qt9 s ASP 36 CO -0.05 -0.49 -0.04 -0.76 0.21 0.00 0.00 175.17 174.04 1qt9 s LEU 37 N -2.15 2.37 0.48 1.23 1.43 -1.26 -5.01 118.68 115.78 1qt9 s LEU 37 Ca 0.53 -0.77 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1qt9 s LEU 37 Cb -0.31 0.10 -0.07 0.00 0.03 0.00 0.00 46.19 45.94 1qt9 s LEU 37 CO 0.39 -0.43 1.28 -2.84 0.23 0.00 0.00 176.35 174.98 1qt9 s PRO 38 N -2.75 3.55 0.16 1.29 0.02 -1.26 -5.02 135.00 130.99 1qt9 s PRO 38 Ca -0.03 2.06 -0.24 0.00 0.02 0.00 0.00 61.00 62.81 1qt9 s PRO 38 Cb -0.01 -2.43 0.06 0.00 0.02 0.00 0.00 34.50 32.14 1qt9 s PRO 38 CO -0.05 -0.80 0.84 -0.59 -0.33 0.00 0.00 177.00 176.06 1qt9 s PHE 39 N -1.38 -0.24 0.00 6.54 -0.12 -1.26 -3.85 117.98 117.67 1qt9 s PHE 39 Ca 0.65 -0.07 0.00 0.00 -0.05 0.00 0.00 56.93 57.47 1qt9 s PHE 39 Cb -0.36 0.63 0.00 0.00 -0.63 0.00 0.00 43.02 42.66 1qt9 s PHE 39 CO 0.44 -0.89 0.00 0.45 -0.05 0.00 0.00 175.22 175.17 1qt9 n SER 40 N -0.42 0.00 0.12 1.98 2.88 -1.26 -4.93 113.62 111.99 1qt9 n SER 40 Ca -0.07 0.00 -0.03 0.00 -1.33 0.00 0.00 58.87 57.44 1qt9 n SER 40 Cb 0.61 0.00 0.09 0.00 -0.75 0.00 0.00 64.21 64.16 1qt9 n SER 40 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1qt9 n ARG 42 N -3.67 -1.65 -0.06 0.00 1.74 -1.26 -4.84 116.66 106.92 1qt9 n ARG 42 Ca -0.01 0.92 0.01 0.00 -0.77 0.00 0.00 57.85 58.00 1qt9 n ARG 42 Cb 0.71 -5.40 0.01 0.00 -1.02 0.00 0.00 32.46 26.75 1qt9 n ARG 42 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1qt9 n ALA 43 N -0.59 1.56 -1.04 7.54 0.00 -1.26 -4.90 120.51 121.82 1qt9 n ALA 43 Ca -0.19 -0.91 -0.01 0.00 0.00 0.00 0.00 53.44 52.33 1qt9 n ALA 43 Cb 0.61 -0.09 -0.01 0.00 0.00 0.00 0.00 19.45 19.97 1qt9 n ALA 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qt9 n GLY 44 N -0.30 0.51 0.15 0.00 0.00 -1.26 -4.77 105.19 99.53 1qt9 n GLY 44 Ca 0.01 -0.42 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1qt9 n GLY 44 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1qt9 n ALA 45 N 1.03 2.46 -3.34 4.61 0.00 -1.26 -0.69 120.51 123.31 1qt9 n ALA 45 Ca -0.01 -2.72 -0.04 0.00 0.00 0.00 0.00 53.44 50.67 1qt9 n ALA 45 Cb 0.09 -0.38 -0.01 0.00 0.00 0.00 0.00 19.45 19.16 1qt9 n ALA 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1qt9 n SER 47 N -1.77 2.00 -0.24 0.00 3.41 -1.26 -4.79 113.62 110.97 1qt9 n SER 47 Ca -0.01 -1.60 -0.01 0.00 -0.26 0.00 0.00 58.87 56.99 1qt9 n SER 47 Cb 0.21 -0.06 0.20 0.00 -0.26 0.00 0.00 64.21 64.29 1qt9 n SER 47 CO 0.00 0.00 0.00 0.74 -0.16 0.00 0.00 175.04 175.62 1qt9 h THR 48 N 1.25 1.22 -0.40 6.66 2.02 -1.95 -2.27 112.91 119.44 1qt9 h THR 48 Ca 0.00 -0.49 0.00 0.00 0.77 0.00 0.00 66.41 66.69 1qt9 h THR 48 Cb 0.44 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.98 1qt9 h THR 48 CO 0.00 0.23 0.00 0.00 0.37 0.00 0.00 175.52 176.12 1qt9 s ALA 50 N -1.75 3.43 0.42 0.00 0.00 -0.85 -2.98 121.76 120.03 1qt9 s ALA 50 Ca 0.32 1.46 0.04 0.00 0.00 0.00 0.00 51.96 53.78 1qt9 s ALA 50 Cb 0.21 -3.57 -0.02 0.00 0.00 0.00 0.00 23.12 19.74 1qt9 s ALA 50 CO 0.15 -1.02 0.16 0.20 0.00 0.00 0.00 175.76 175.25 1qt9 s GLY 51 N -0.36 2.70 -0.03 0.00 0.00 0.75 -1.86 107.32 108.51 1qt9 s GLY 51 Ca 0.55 -1.21 -0.01 0.00 0.00 0.00 0.00 44.72 44.05 1qt9 s GLY 51 CO 0.58 -1.80 0.04 1.25 0.00 0.00 0.00 173.10 173.18 1qt9 s LYS 52 N -3.63 -0.06 0.40 2.90 2.20 0.15 -1.06 119.74 120.65 1qt9 s LYS 52 Ca 0.24 0.28 -0.26 0.00 -0.36 0.00 0.00 55.97 55.87 1qt9 s LYS 52 Cb 0.01 -0.38 -0.09 0.00 -1.51 0.00 0.00 37.83 35.86 1qt9 s LYS 52 CO 0.16 -0.25 1.30 -0.51 -0.36 0.00 0.00 175.35 175.69 1qt9 s LEU 53 N 1.62 4.22 -0.26 5.43 1.43 0.25 -0.56 118.68 130.81 1qt9 s LEU 53 Ca -0.02 2.65 -0.08 0.00 -1.03 0.00 0.00 54.13 55.65 1qt9 s LEU 53 Cb -0.13 -3.90 -0.13 0.00 0.03 0.00 0.00 46.19 42.06 1qt9 s LEU 53 CO -0.03 -0.84 -0.30 0.52 0.23 0.00 0.00 176.35 175.93 1qt9 n VAL 54 N 0.14 1.47 -3.53 -1.59 0.31 0.37 -4.87 118.33 110.62 1qt9 n VAL 54 Ca 0.04 -0.44 -0.15 0.00 -0.01 0.00 0.00 64.34 63.77 1qt9 n VAL 54 Cb 0.44 -1.69 -0.05 0.00 -0.91 0.00 0.00 33.84 31.63 1qt9 n VAL 54 CO 0.00 0.00 0.00 -0.94 -1.32 0.00 0.00 176.83 174.57 1qt9 s SER 55 N -7.06 -0.53 0.00 4.52 1.04 -1.00 -4.96 113.70 105.70 1qt9 s SER 55 Ca -0.36 0.32 0.00 0.00 0.48 0.00 0.00 55.95 56.39 1qt9 s SER 55 Cb 0.12 0.52 0.00 0.00 0.10 0.00 0.00 66.02 66.77 1qt9 s SER 55 CO 0.51 -0.72 0.00 0.61 0.98 0.00 0.00 173.24 174.62 1qt9 n GLY 56 N 0.45 -0.33 3.25 7.32 0.00 -1.26 -1.22 105.19 113.40 1qt9 n GLY 56 Ca -0.18 -1.86 -0.17 0.00 0.00 0.00 0.00 46.02 43.80 1qt9 n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1qt9 s THR 57 N -1.02 1.36 0.20 2.61 -4.23 -1.26 -4.95 115.64 108.35 1qt9 s THR 57 Ca 0.00 -1.82 0.05 0.00 -1.18 0.00 0.00 61.69 58.74 1qt9 s THR 57 Cb 0.00 -1.64 -0.05 0.00 1.34 0.00 0.00 72.50 72.16 1qt9 s THR 57 CO 0.00 -0.48 -0.08 0.68 -0.54 0.00 0.00 174.62 174.20 1qt9 s VAL 58 N -2.40 1.29 -0.36 2.29 -7.23 -1.26 -0.99 120.40 111.74 1qt9 s VAL 58 Ca 0.12 -2.09 -0.03 0.00 -1.81 0.00 0.00 61.98 58.16 1qt9 s VAL 58 Cb -0.03 -2.09 0.08 0.00 0.56 0.00 0.00 36.38 34.89 1qt9 s VAL 58 CO 0.03 -0.55 0.12 -0.62 -0.31 0.00 0.00 175.10 173.77 1qt9 s ASP 59 N -3.26 5.14 -0.32 4.85 2.15 0.48 -4.82 116.67 120.89 1qt9 s ASP 59 Ca 0.22 -1.62 0.07 0.00 0.43 0.00 0.00 52.55 51.65 1qt9 s ASP 59 Cb 0.03 -1.80 0.46 0.00 -0.30 0.00 0.00 42.92 41.32 1qt9 s ASP 59 CO 0.05 -0.41 1.37 0.00 -0.17 0.00 0.00 175.17 176.01 1qt9 n GLN 60 N 4.64 2.67 0.32 4.34 10.64 -1.26 -1.25 117.38 137.48 1qt9 n GLN 60 Ca -0.08 -3.66 0.19 0.00 -1.83 0.00 0.00 57.00 51.63 1qt9 n GLN 60 Cb 0.43 -2.04 1.09 0.00 -0.86 0.00 0.00 30.24 28.86 1qt9 n GLN 60 CO 0.00 0.00 0.00 0.66 -1.83 0.00 0.00 177.06 175.89 1qt9 h SER 61 N 1.63 0.00 0.77 2.61 4.64 -1.92 0.26 113.55 121.54 1qt9 h SER 61 Ca 0.29 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.61 1qt9 h SER 61 Cb 1.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.48 1qt9 h SER 61 CO 0.62 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 177.05 1qt9 n ASP 62 N -3.42 0.37 -4.79 4.97 8.00 -1.26 -4.84 116.55 115.58 1qt9 n ASP 62 Ca -0.03 0.58 -0.32 0.00 0.71 0.00 0.00 54.79 55.72 1qt9 n ASP 62 Cb 0.08 -0.66 0.04 0.00 -0.02 0.00 0.00 41.12 40.55 1qt9 n ASP 62 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1qt9 s GLN 63 N -3.14 2.95 0.00 -1.24 1.03 0.08 -4.73 119.66 114.62 1qt9 s GLN 63 Ca 0.07 1.21 0.00 0.00 0.04 0.00 0.00 55.36 56.68 1qt9 s GLN 63 Cb 0.11 -1.98 0.00 0.00 0.03 0.00 0.00 33.01 31.17 1qt9 s GLN 63 CO 0.39 -1.10 0.00 -1.13 -2.54 0.00 0.00 175.29 170.90 1qt9 n SER 64 N -2.54 1.02 -0.03 12.60 3.41 0.13 -4.93 113.62 123.28 1qt9 n SER 64 Ca 0.09 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.54 1qt9 n SER 64 Cb 0.53 0.20 -0.08 0.00 -0.26 0.00 0.00 64.21 64.60 1qt9 n SER 64 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1qt9 h PHE 65 N 0.00 0.79 -3.82 7.33 3.57 -1.63 -3.45 116.94 119.73 1qt9 h PHE 65 Ca 0.00 -0.34 -0.51 0.00 3.53 0.00 0.00 57.97 60.65 1qt9 h PHE 65 Cb 0.00 -0.12 0.03 0.00 2.79 0.00 0.00 35.95 38.64 1qt9 h PHE 65 CO 0.00 1.13 0.51 -0.51 -2.23 0.00 0.00 178.31 177.21 1qt9 s LEU 66 N -8.56 4.53 0.78 0.59 1.43 -1.26 -5.02 118.68 111.17 1qt9 s LEU 66 Ca -0.12 2.36 -0.09 0.00 -1.03 0.00 0.00 54.13 55.25 1qt9 s LEU 66 Cb 0.06 -3.63 0.10 0.00 0.03 0.00 0.00 46.19 42.75 1qt9 s LEU 66 CO 0.84 -0.22 1.11 1.51 0.23 0.00 0.00 176.35 179.82 1qt9 s ASP 67 N -0.80 4.34 0.29 2.29 1.47 -1.26 -4.89 116.67 118.11 1qt9 s ASP 67 Ca 0.45 0.37 0.03 0.00 1.18 0.00 0.00 52.55 54.59 1qt9 s ASP 67 Cb -0.34 -0.83 0.44 0.00 -0.34 0.00 0.00 42.92 41.85 1qt9 s ASP 67 CO 0.44 -1.92 1.74 0.44 0.68 0.00 0.00 175.17 176.55 1qt9 h ASP 68 N -0.89 0.47 -0.46 2.11 5.19 -1.99 -1.67 116.42 119.17 1qt9 h ASP 68 Ca -0.44 -0.15 -0.05 0.00 -0.62 0.00 0.00 57.03 55.78 1qt9 h ASP 68 Cb 1.30 -0.13 -0.02 0.00 0.18 0.00 0.00 39.33 40.66 1qt9 h ASP 68 CO 0.54 0.70 0.11 0.44 -3.12 0.00 0.00 179.24 177.91 1qt9 h ASP 69 N 0.42 0.71 -0.67 6.45 3.32 -1.99 -0.89 116.42 123.77 1qt9 h ASP 69 Ca 0.07 -0.24 0.00 0.00 0.02 0.00 0.00 57.03 56.88 1qt9 h ASP 69 Cb 0.63 -0.19 -0.03 0.00 0.22 0.00 0.00 39.33 39.96 1qt9 h ASP 69 CO 0.04 0.76 0.43 1.56 -1.72 0.00 0.00 179.24 180.31 1qt9 h GLN 70 N 0.62 0.89 -0.72 3.56 4.20 -1.87 -1.33 115.11 120.46 1qt9 h GLN 70 Ca 0.14 -0.06 -0.02 0.00 0.06 0.00 0.00 58.65 58.77 1qt9 h GLN 70 Cb 0.33 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 27.88 1qt9 h GLN 70 CO 0.00 0.60 0.38 0.82 -0.67 0.00 0.00 178.83 179.96 1qt9 h ILE 71 N 0.90 1.22 -0.65 2.54 2.04 -1.08 -1.88 117.51 120.61 1qt9 h ILE 71 Ca 0.24 -0.59 0.06 0.00 1.00 0.00 0.00 64.86 65.57 1qt9 h ILE 71 Cb -0.08 0.30 -0.04 0.00 -0.74 0.00 0.00 36.82 36.27 1qt9 h ILE 71 CO -0.05 0.25 0.43 -0.08 0.00 0.00 0.00 178.15 178.71 1qt9 h GLU 72 N 0.99 0.65 0.00 2.37 4.81 -0.74 -0.97 114.58 121.70 1qt9 h GLU 72 Ca 0.25 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.44 1qt9 h GLU 72 Cb 0.07 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 29.30 1qt9 h GLU 72 CO -0.04 0.43 0.00 0.00 -0.73 0.00 0.00 179.01 178.68 1qt9 n ALA 73 N -2.46 2.00 0.00 2.92 0.00 -0.54 -4.89 120.51 117.54 1qt9 n ALA 73 Ca 0.09 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.45 1qt9 n ALA 73 Cb 0.22 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.33 1qt9 n ALA 73 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1qt9 n GLY 74 N 0.58 1.06 3.77 0.00 0.00 -0.37 -4.85 105.19 105.39 1qt9 n GLY 74 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 1qt9 n GLY 74 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1qt9 s TYR 75 N -2.00 3.59 -0.01 1.61 2.02 -0.75 -0.58 117.35 121.24 1qt9 s TYR 75 Ca 0.00 1.75 0.00 0.00 -0.37 0.00 0.00 57.07 58.45 1qt9 s TYR 75 Cb 0.00 -3.03 0.01 0.00 -0.40 0.00 0.00 41.96 38.53 1qt9 s TYR 75 CO 0.00 -0.10 -0.01 0.08 -1.57 0.00 0.00 175.55 173.95 1qt9 s VAL 76 N -1.52 0.13 -0.61 0.71 1.01 -0.22 -4.52 120.40 115.38 1qt9 s VAL 76 Ca 0.51 -0.03 -0.21 0.00 0.00 0.00 0.00 61.98 62.24 1qt9 s VAL 76 Cb -0.22 -0.15 0.07 0.00 0.00 0.00 0.00 36.38 36.08 1qt9 s VAL 76 CO 0.28 0.06 0.85 -0.76 0.00 0.00 0.00 175.10 175.53 1qt9 s LEU 77 N 0.22 4.66 0.62 3.92 1.43 -1.26 -0.18 118.68 128.09 1qt9 s LEU 77 Ca -0.02 -0.99 0.37 0.00 -1.03 0.00 0.00 54.13 52.46 1qt9 s LEU 77 Cb -0.04 -2.46 2.07 0.00 0.03 0.00 0.00 46.19 45.80 1qt9 s LEU 77 CO -0.01 -1.26 2.29 0.71 0.23 0.00 0.00 176.35 178.32 1qt9 h THR 78 N 5.95 0.27 0.00 5.49 1.35 -1.89 -1.89 112.91 122.19 1qt9 h THR 78 Ca -0.28 -0.06 0.00 0.00 -0.55 0.00 0.00 66.41 65.52 1qt9 h THR 78 Cb 1.08 1.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.54 1qt9 h THR 78 CO 1.12 0.01 0.00 0.00 -0.25 0.00 0.00 175.52 176.40 1qt9 n VAL 80 N -2.26 0.77 -3.84 0.00 0.24 -0.73 -4.82 118.33 107.69 1qt9 n VAL 80 Ca 0.03 -1.06 -0.36 0.00 -2.04 0.00 0.00 64.34 60.92 1qt9 n VAL 80 Cb 0.29 0.25 -0.13 0.00 -1.47 0.00 0.00 33.84 32.78 1qt9 n VAL 80 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1qt9 s ALA 81 N -1.17 2.98 0.00 2.33 0.00 -1.08 -4.39 121.76 120.43 1qt9 s ALA 81 Ca 0.16 -1.14 -0.16 0.00 0.00 0.00 0.00 51.96 50.82 1qt9 s ALA 81 Cb 0.15 -1.88 -0.06 0.00 0.00 0.00 0.00 23.12 21.34 1qt9 s ALA 81 CO -0.01 -0.45 0.46 0.71 0.00 0.00 0.00 175.76 176.47 1qt9 s TYR 82 N 1.53 3.72 0.43 0.00 2.02 -0.38 -0.87 117.35 123.80 1qt9 s TYR 82 Ca 0.06 1.05 -0.24 0.00 -0.37 0.00 0.00 57.07 57.57 1qt9 s TYR 82 Cb -0.15 -2.37 -0.08 0.00 -0.40 0.00 0.00 41.96 38.96 1qt9 s TYR 82 CO 0.00 0.57 1.19 -1.25 -1.57 0.00 0.00 175.55 174.48 1qt9 s PRO 83 N -0.86 3.88 0.00 -1.71 0.04 -1.26 -0.38 135.00 134.70 1qt9 s PRO 83 Ca 0.25 1.85 0.00 0.00 0.04 0.00 0.00 61.00 63.14 1qt9 s PRO 83 Cb -0.17 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.83 1qt9 s PRO 83 CO 0.14 -0.47 0.90 0.25 0.04 0.00 0.00 177.00 177.86 1qt9 n THR 84 N -0.22 0.81 -3.84 1.26 -2.24 -0.16 -4.66 114.28 105.23 1qt9 n THR 84 Ca 0.06 -0.82 -0.06 0.00 -2.27 0.00 0.00 64.05 60.95 1qt9 n THR 84 Cb 0.47 0.60 0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1qt9 n THR 84 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1qt9 s SER 85 N -0.81 0.02 0.38 3.42 1.04 -1.21 -4.85 113.70 111.69 1qt9 s SER 85 Ca 0.00 -0.98 -0.27 0.00 0.48 0.00 0.00 55.95 55.17 1qt9 s SER 85 Cb 0.00 0.71 -0.10 0.00 0.10 0.00 0.00 66.02 66.73 1qt9 s SER 85 CO 0.00 -1.42 1.37 -1.81 0.98 0.00 0.00 173.24 172.36 1qt9 s ASP 86 N -3.24 6.41 -0.01 7.02 1.01 -1.26 -4.66 116.67 121.94 1qt9 s ASP 86 Ca 0.19 2.81 0.04 0.00 0.71 0.00 0.00 52.55 56.30 1qt9 s ASP 86 Cb -0.04 -2.65 -0.01 0.00 1.01 0.00 0.00 42.92 41.23 1qt9 s ASP 86 CO 0.09 -0.80 -0.14 -0.69 0.21 0.00 0.00 175.17 173.85 1qt9 s VAL 87 N -1.18 1.06 -0.15 -1.27 1.01 -0.00 -4.06 120.40 115.81 1qt9 s VAL 87 Ca 0.54 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.91 1qt9 s VAL 87 Cb -0.42 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.06 1qt9 s VAL 87 CO 0.55 0.28 -0.12 -0.69 0.00 0.00 0.00 175.10 175.12 1qt9 s VAL 88 N -0.35 2.98 -0.03 2.92 1.01 -0.36 -0.53 120.40 126.05 1qt9 s VAL 88 Ca 0.05 -0.67 -0.01 0.00 0.00 0.00 0.00 61.98 61.35 1qt9 s VAL 88 Cb -0.05 -2.27 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1qt9 s VAL 88 CO -0.00 0.50 0.06 -0.51 0.00 0.00 0.00 175.10 175.16 1qt9 s ILE 89 N 0.70 -0.03 0.08 2.22 2.07 -0.06 -0.48 121.20 125.70 1qt9 s ILE 89 Ca -0.06 0.11 -0.29 0.00 -1.41 0.00 0.00 60.65 59.00 1qt9 s ILE 89 Cb -0.15 -0.12 -0.05 0.00 0.13 0.00 0.00 42.46 42.27 1qt9 s ILE 89 CO 0.02 0.05 0.94 -1.10 -1.91 0.00 0.00 174.94 172.94 1qt9 s GLN 90 N 0.62 4.66 0.46 3.50 -0.21 0.28 -0.62 119.66 128.35 1qt9 s GLN 90 Ca -0.05 1.41 0.07 0.00 0.02 0.00 0.00 55.36 56.80 1qt9 s GLN 90 Cb -0.07 -3.39 0.02 0.00 1.00 0.00 0.00 33.01 30.57 1qt9 s GLN 90 CO -0.02 0.18 0.64 0.95 -2.12 0.00 0.00 175.29 174.91 1qt9 s THR 91 N 0.17 2.85 -1.19 -0.19 -4.23 -0.07 -0.67 115.64 112.30 1qt9 s THR 91 Ca 0.47 -0.92 -0.02 0.00 -1.18 0.00 0.00 61.69 60.04 1qt9 s THR 91 Cb -0.23 -2.93 0.00 0.00 1.34 0.00 0.00 72.50 70.69 1qt9 s THR 91 CO 0.29 0.00 1.01 1.41 -0.54 0.00 0.00 174.62 176.79 1qt9 n HIS 92 N -2.00 -2.28 -0.22 3.99 8.25 -1.20 -4.70 115.22 117.05 1qt9 n HIS 92 Ca 0.09 0.92 0.08 0.00 -0.26 0.00 0.00 57.72 58.55 1qt9 n HIS 92 Cb 0.59 -4.95 0.21 0.00 1.12 0.00 0.00 29.99 26.97 1qt9 n HIS 92 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1qt9 n LYS 93 N -4.23 2.78 -0.33 -0.41 4.76 -0.78 -4.66 118.16 115.30 1qt9 n LYS 93 Ca -0.20 -2.26 0.15 0.00 -2.87 0.00 0.00 58.31 53.14 1qt9 n LYS 93 Cb 0.63 -1.38 0.35 0.00 -1.84 0.00 0.00 35.03 32.79 1qt9 n LYS 93 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1qt9 h GLU 94 N 2.87 0.50 0.00 1.97 4.81 -1.77 -1.37 114.58 121.59 1qt9 h GLU 94 Ca 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 1qt9 h GLU 94 Cb 0.82 -0.11 0.00 0.00 0.63 0.00 0.00 28.75 30.09 1qt9 h GLU 94 CO 0.00 0.33 0.00 0.39 -0.73 0.00 0.00 179.01 179.00 1qt9 n GLU 95 N -4.94 0.13 0.02 1.92 -0.58 -1.26 -1.73 120.64 114.20 1qt9 n GLU 95 Ca 0.24 0.20 0.12 0.00 -0.42 0.00 0.00 57.16 57.30 1qt9 n GLU 95 Cb 0.69 -1.50 0.51 0.00 -0.57 0.00 0.00 31.44 30.57 1qt9 n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1qt9 n ASP 96 N -1.35 0.16 -4.92 1.62 9.92 -0.52 -4.88 116.55 116.59 1qt9 n ASP 96 Ca 0.05 0.52 -0.30 0.00 -0.53 0.00 0.00 54.79 54.54 1qt9 n ASP 96 Cb 0.12 -0.56 -0.04 0.00 -0.64 0.00 0.00 41.12 40.00 1qt9 n ASP 96 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1qt9 s LEU 97 N -3.32 4.33 0.00 0.64 1.43 -0.70 -5.22 118.68 115.85 1qt9 s LEU 97 Ca 0.11 0.30 0.00 0.00 -1.03 0.00 0.00 54.13 53.52 1qt9 s LEU 97 Cb 0.15 -3.01 0.00 0.00 0.03 0.00 0.00 46.19 43.36 1qt9 s LEU 97 CO 0.47 0.12 0.39 -1.22 0.23 0.00 0.00 176.35 176.33