#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aq6 s PHE 6 N 0.00 3.47 -0.21 3.52 0.08 -1.26 -5.02 117.98 118.56 2aq6 s PHE 6 Ca 0.00 0.53 -0.29 0.00 0.12 0.00 0.00 56.93 57.29 2aq6 s PHE 6 Cb 0.00 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.42 2aq6 s PHE 6 CO 0.00 0.31 1.52 0.34 -0.10 0.00 0.00 175.22 177.30 2aq6 s ASP 7 N -2.93 6.52 0.45 1.36 -1.08 -1.26 -4.88 116.67 114.86 2aq6 s ASP 7 Ca 0.42 1.61 0.18 0.00 -0.52 0.00 0.00 52.55 54.23 2aq6 s ASP 7 Cb -0.11 -2.53 1.14 0.00 -1.46 0.00 0.00 42.92 39.95 2aq6 s ASP 7 CO 0.28 -1.14 1.95 0.44 0.52 0.00 0.00 175.17 177.21 2aq6 h ASP 8 N 10.08 0.29 -0.38 -0.34 3.45 -1.99 0.42 116.42 127.94 2aq6 h ASP 8 Ca -0.32 0.01 -0.05 0.00 0.43 0.00 0.00 57.03 57.11 2aq6 h ASP 8 Cb 1.14 -0.04 -0.02 0.00 -0.56 0.00 0.00 39.33 39.84 2aq6 h ASP 8 CO 1.00 0.15 0.08 0.11 -1.57 0.00 0.00 179.24 179.02 2aq6 h LYS 9 N 0.31 0.70 0.00 3.56 1.57 -1.97 -0.31 116.57 120.43 2aq6 h LYS 9 Ca 0.33 -0.14 -0.25 0.00 -1.87 0.00 0.00 60.65 58.71 2aq6 h LYS 9 Cb 0.85 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 33.06 2aq6 h LYS 9 CO -0.08 0.66 -1.01 -0.07 -0.57 0.00 0.00 179.45 178.38 2aq6 h LEU 10 N 0.68 0.75 -1.23 2.94 3.38 -1.34 -3.05 115.31 117.44 2aq6 h LEU 10 Ca 0.15 -0.60 -0.06 0.00 0.09 0.00 0.00 57.88 57.45 2aq6 h LEU 10 Cb 0.30 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 2aq6 h LEU 10 CO 0.00 1.41 -0.14 -0.07 0.09 0.00 0.00 178.44 179.72 2aq6 h LEU 11 N 0.32 0.34 -1.10 1.67 3.38 -1.01 -2.10 115.31 116.81 2aq6 h LEU 11 Ca -0.11 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.73 2aq6 h LEU 11 Cb 1.65 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 42.29 2aq6 h LEU 11 CO 0.19 0.51 0.09 0.00 0.09 0.00 0.00 178.44 179.32 2aq6 h ALA 12 N 1.53 1.27 -0.32 1.53 0.00 -1.02 -0.79 119.26 121.46 2aq6 h ALA 12 Ca 0.06 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.76 2aq6 h ALA 12 Cb 0.45 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 2aq6 h ALA 12 CO 0.03 0.51 0.14 0.28 0.00 0.00 0.00 179.25 180.20 2aq6 h VAL 13 N 0.70 1.17 -0.68 0.00 2.07 -1.28 -0.83 116.25 117.40 2aq6 h VAL 13 Ca 0.15 -0.50 -0.05 0.00 0.82 0.00 0.00 66.70 67.13 2aq6 h VAL 13 Cb 0.30 0.91 -0.03 0.00 -1.52 0.00 0.00 31.29 30.95 2aq6 h VAL 13 CO 0.00 0.18 0.24 0.40 0.02 0.00 0.00 177.57 178.40 2aq6 h ILE 14 N 0.37 1.24 0.00 4.57 2.04 -1.16 -2.46 117.51 122.11 2aq6 h ILE 14 Ca 0.11 -0.80 -0.08 0.00 1.00 0.00 0.00 64.86 65.08 2aq6 h ILE 14 Cb 0.15 0.47 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 2aq6 h ILE 14 CO -0.01 0.32 -0.38 -1.28 0.00 0.00 0.00 178.15 176.79 2aq6 h SER 15 N 0.99 0.00 -0.31 1.72 0.87 -0.82 -3.10 113.55 112.90 2aq6 h SER 15 Ca 0.22 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 2aq6 h SER 15 Cb 0.24 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.20 2aq6 h SER 15 CO -0.01 0.38 0.00 0.61 -0.53 0.00 0.00 176.83 177.28 2aq6 n GLY 16 N -0.33 0.73 3.30 5.77 0.00 -0.35 -4.90 105.19 109.42 2aq6 n GLY 16 Ca -0.02 -0.35 -0.17 0.00 0.00 0.00 0.00 46.02 45.47 2aq6 n GLY 16 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2aq6 s ASN 17 N -0.91 1.28 0.00 1.61 3.04 -1.17 -5.05 114.94 113.74 2aq6 s ASN 17 Ca 0.22 -1.54 0.00 0.00 0.04 0.00 0.00 52.86 51.58 2aq6 s ASN 17 Cb 0.12 0.39 0.00 0.00 -1.54 0.00 0.00 41.25 40.22 2aq6 s ASN 17 CO 0.14 -0.89 0.08 -1.54 -3.04 0.00 0.00 177.10 171.85 2aq6 n SER 18 N -0.86 0.16 -4.12 -4.21 3.41 -1.26 -4.96 113.62 101.78 2aq6 n SER 18 Ca 0.02 -0.93 -0.14 0.00 -0.26 0.00 0.00 58.87 57.56 2aq6 n SER 18 Cb 0.65 0.01 -0.11 0.00 -0.26 0.00 0.00 64.21 64.50 2aq6 n SER 18 CO 0.00 0.00 0.00 0.27 -0.16 0.00 0.00 175.04 175.15 2aq6 s ILE 19 N -0.01 0.73 0.34 -1.33 -4.36 -1.26 -0.45 121.20 114.85 2aq6 s ILE 19 Ca 0.00 -1.38 -0.15 0.00 -0.26 0.00 0.00 60.65 58.86 2aq6 s ILE 19 Cb 0.00 -1.02 0.06 0.00 1.25 0.00 0.00 42.46 42.75 2aq6 s ILE 19 CO 0.00 -0.49 0.78 0.61 0.24 0.00 0.00 174.94 176.08 2aq6 n GLY 20 N 0.97 0.98 3.54 6.27 0.00 -0.55 -4.59 105.19 111.82 2aq6 n GLY 20 Ca -0.19 -1.22 -0.40 0.00 0.00 0.00 0.00 46.02 44.20 2aq6 n GLY 20 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2aq6 s VAL 21 N -2.15 5.26 0.04 1.61 1.01 0.26 -1.25 120.40 125.17 2aq6 s VAL 21 Ca 0.16 -0.07 -0.21 0.00 0.00 0.00 0.00 61.98 61.86 2aq6 s VAL 21 Cb -0.04 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.56 2aq6 s VAL 21 CO 0.10 0.01 0.61 -0.22 0.00 0.00 0.00 175.10 175.60 2aq6 s LEU 22 N 1.81 4.47 -0.13 3.92 2.96 0.27 -1.21 118.68 130.76 2aq6 s LEU 22 Ca 0.08 1.24 -0.00 0.00 -0.22 0.00 0.00 54.13 55.23 2aq6 s LEU 22 Cb -0.17 -2.95 0.03 0.00 0.50 0.00 0.00 46.19 43.60 2aq6 s LEU 22 CO 0.11 0.17 -0.08 0.00 -1.32 0.00 0.00 176.35 175.22 2aq6 s ALA 23 N -0.57 1.48 0.44 5.97 0.00 -0.15 -2.15 121.76 126.78 2aq6 s ALA 23 Ca 0.31 -0.69 0.05 0.00 0.00 0.00 0.00 51.96 51.63 2aq6 s ALA 23 Cb -0.19 -1.00 -0.06 0.00 0.00 0.00 0.00 23.12 21.88 2aq6 s ALA 23 CO 0.19 -0.51 0.02 0.95 0.00 0.00 0.00 175.76 176.41 2aq6 s THR 24 N 1.64 1.74 -0.23 0.00 -4.23 -0.75 -2.51 115.64 111.31 2aq6 s THR 24 Ca 0.04 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.49 2aq6 s THR 24 Cb -0.13 -2.73 -0.03 0.00 1.34 0.00 0.00 72.50 70.95 2aq6 s THR 24 CO -0.09 0.00 0.07 -0.63 -0.54 0.00 0.00 174.62 173.43 2aq6 s ILE 25 N -2.76 4.50 0.68 2.99 1.01 -1.26 -0.20 121.20 126.16 2aq6 s ILE 25 Ca 0.26 -0.12 -0.08 0.00 0.00 0.00 0.00 60.65 60.71 2aq6 s ILE 25 Cb 0.07 -3.08 0.04 0.00 0.01 0.00 0.00 42.46 39.50 2aq6 s ILE 25 CO 0.13 0.38 1.01 -0.54 0.00 0.00 0.00 174.94 175.92 2aq6 s LYS 26 N 1.18 2.49 0.28 2.79 1.02 0.07 -3.94 119.74 123.64 2aq6 s LYS 26 Ca 0.05 -0.03 0.02 0.00 0.02 0.00 0.00 55.97 56.02 2aq6 s LYS 26 Cb -0.14 -2.16 0.61 0.00 -0.52 0.00 0.00 37.83 35.62 2aq6 s LYS 26 CO 0.03 -1.08 1.78 1.25 -0.92 0.00 0.00 175.35 176.41 2aq6 h HIS 27 N -0.53 0.92 0.00 3.18 -0.00 -1.72 -0.35 115.15 116.65 2aq6 h HIS 27 Ca -0.45 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 59.95 2aq6 h HIS 27 Cb 1.29 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.43 2aq6 h HIS 27 CO 0.40 0.23 0.00 -0.40 -0.00 0.00 0.00 177.93 178.16 2aq6 n ASP 28 N -4.81 0.00 0.00 3.26 5.68 -1.26 -4.86 116.55 114.57 2aq6 n ASP 28 Ca 0.20 -0.90 0.00 0.00 -0.50 0.00 0.00 54.79 53.59 2aq6 n ASP 28 Cb 0.47 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2aq6 n ASP 28 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aq6 n GLY 29 N 0.61 1.34 3.82 6.12 0.00 -0.14 -5.06 105.19 111.88 2aq6 n GLY 29 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2aq6 n GLY 29 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2aq6 s ARG 30 N -0.81 3.86 0.44 1.61 0.52 -1.26 -4.71 118.95 118.60 2aq6 s ARG 30 Ca 0.00 1.15 -0.21 0.00 -0.52 0.00 0.00 55.73 56.15 2aq6 s ARG 30 Cb 0.00 -2.12 -0.11 0.00 0.52 0.00 0.00 34.95 33.25 2aq6 s ARG 30 CO 0.00 -0.36 0.95 -2.14 0.02 0.00 0.00 175.30 173.78 2aq6 s PRO 31 N -3.64 4.20 -0.18 3.54 0.02 -1.26 -0.75 135.00 136.94 2aq6 s PRO 31 Ca 0.63 1.11 -0.04 0.00 0.02 0.00 0.00 61.00 62.72 2aq6 s PRO 31 Cb -0.12 -2.18 -0.02 0.00 0.02 0.00 0.00 34.50 32.20 2aq6 s PRO 31 CO 0.25 -0.05 -0.04 -1.14 -0.33 0.00 0.00 177.00 175.68 2aq6 s GLN 32 N -3.26 3.54 0.05 5.54 2.00 0.72 -4.83 119.66 123.41 2aq6 s GLN 32 Ca 0.62 -0.57 0.05 0.00 -2.00 0.00 0.00 55.36 53.46 2aq6 s GLN 32 Cb -0.09 -2.95 -0.04 0.00 0.80 0.00 0.00 33.01 30.73 2aq6 s GLN 32 CO 0.15 0.05 -0.09 -0.51 -0.50 0.00 0.00 175.29 174.39 2aq6 s LEU 33 N 0.85 3.07 0.06 3.68 1.43 -1.26 -1.80 118.68 124.70 2aq6 s LEU 33 Ca -0.01 -0.27 -0.27 0.00 -1.03 0.00 0.00 54.13 52.55 2aq6 s LEU 33 Cb -0.15 -1.81 0.07 0.00 0.03 0.00 0.00 46.19 44.34 2aq6 s LEU 33 CO 0.02 0.23 0.66 -0.94 0.23 0.00 0.00 176.35 176.55 2aq6 s SER 34 N -1.76 -0.59 -0.18 2.29 1.04 -0.92 -4.99 113.70 108.59 2aq6 s SER 34 Ca 0.19 0.31 -0.17 0.00 0.48 0.00 0.00 55.95 56.76 2aq6 s SER 34 Cb -0.11 0.56 -0.04 0.00 0.10 0.00 0.00 66.02 66.53 2aq6 s SER 34 CO 0.10 -0.79 0.45 0.20 0.98 0.00 0.00 173.24 174.19 2aq6 s ASN 35 N -2.04 6.54 0.12 7.02 0.02 -1.26 -0.57 114.94 124.77 2aq6 s ASN 35 Ca -0.04 0.65 0.02 0.00 -1.02 0.00 0.00 52.86 52.47 2aq6 s ASN 35 Cb -0.01 -2.26 -0.04 0.00 0.02 0.00 0.00 41.25 38.96 2aq6 s ASN 35 CO -0.03 -0.08 -0.05 0.68 0.02 0.00 0.00 177.10 177.64 2aq6 s VAL 36 N 1.20 0.72 0.07 1.60 -7.23 -0.38 -4.96 120.40 111.41 2aq6 s VAL 36 Ca 0.22 -1.96 -0.10 0.00 -1.81 0.00 0.00 61.98 58.33 2aq6 s VAL 36 Cb -0.15 -1.81 -0.06 0.00 0.56 0.00 0.00 36.38 34.92 2aq6 s VAL 36 CO 0.09 -0.76 0.40 -1.10 -0.31 0.00 0.00 175.10 173.42 2aq6 s GLN 37 N -3.85 3.78 0.16 4.82 -0.21 -1.26 -1.49 119.66 121.61 2aq6 s GLN 37 Ca 0.15 0.20 -0.01 0.00 0.02 0.00 0.00 55.36 55.72 2aq6 s GLN 37 Cb 0.05 -3.03 -0.04 0.00 1.00 0.00 0.00 33.01 31.00 2aq6 s GLN 37 CO -0.02 0.58 0.09 1.52 -2.12 0.00 0.00 175.29 175.34 2aq6 s TYR 38 N -1.35 0.98 -0.06 0.91 1.13 0.41 -4.46 117.35 114.91 2aq6 s TYR 38 Ca 0.32 -1.29 0.05 0.00 -1.41 0.00 0.00 57.07 54.74 2aq6 s TYR 38 Cb -0.14 -0.51 -0.00 0.00 -1.10 0.00 0.00 41.96 40.21 2aq6 s TYR 38 CO 0.17 -0.57 -0.21 -1.58 -2.51 0.00 0.00 175.55 170.85 2aq6 s HIS 39 N -4.09 2.07 -0.17 -3.49 5.65 -0.23 -4.77 115.29 110.25 2aq6 s HIS 39 Ca 0.30 -0.65 -0.00 0.00 0.25 0.00 0.00 55.06 54.96 2aq6 s HIS 39 Cb 0.07 -1.38 0.00 0.00 -1.18 0.00 0.00 32.58 30.09 2aq6 s HIS 39 CO 0.06 -0.22 -0.15 0.12 -0.65 0.00 0.00 174.74 173.90 2aq6 s PHE 40 N 0.05 2.81 -0.50 3.88 5.99 -1.26 -0.65 117.98 128.29 2aq6 s PHE 40 Ca -0.06 -1.20 -0.17 0.00 0.00 0.00 0.00 56.93 55.50 2aq6 s PHE 40 Cb -0.13 -1.94 0.08 0.00 0.00 0.00 0.00 43.02 41.03 2aq6 s PHE 40 CO 0.04 -0.59 0.49 0.34 -0.00 0.00 0.00 175.22 175.50 2aq6 s ASP 41 N 1.07 6.17 0.49 6.13 3.68 -0.27 -4.94 116.67 129.01 2aq6 s ASP 41 Ca -0.00 -1.34 0.33 0.00 2.13 0.00 0.00 52.55 53.67 2aq6 s ASP 41 Cb -0.14 -2.22 1.61 0.00 -1.45 0.00 0.00 42.92 40.72 2aq6 s ASP 41 CO -0.04 -0.78 2.00 1.55 0.13 0.00 0.00 175.17 178.02 2aq6 h PRO 42 N 8.87 0.00 0.05 4.34 0.13 -1.97 0.83 132.00 144.24 2aq6 h PRO 42 Ca -0.29 0.00 -0.36 0.00 -0.87 0.00 0.00 66.00 64.48 2aq6 h PRO 42 Cb 1.10 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.19 2aq6 h PRO 42 CO 0.95 0.00 -2.09 0.54 -0.23 0.00 0.00 178.00 177.17 2aq6 n ARG 43 N -2.76 0.67 0.00 0.86 3.00 -1.26 -4.23 116.66 112.94 2aq6 n ARG 43 Ca -0.01 0.29 0.13 0.00 -0.01 0.00 0.00 57.85 58.25 2aq6 n ARG 43 Cb 0.16 -1.63 0.47 0.00 0.00 0.00 0.00 32.46 31.46 2aq6 n ARG 43 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 2aq6 n LYS 44 N -3.71 0.01 -3.47 5.56 5.02 -1.22 -4.96 118.16 115.40 2aq6 n LYS 44 Ca -0.39 0.00 -0.23 0.00 -2.02 0.00 0.00 58.31 55.67 2aq6 n LYS 44 Cb 0.94 -1.51 0.05 0.00 -0.02 0.00 0.00 35.03 34.50 2aq6 n LYS 44 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2aq6 n LEU 45 N -1.52 -4.24 -3.93 -0.35 4.77 0.27 -4.86 117.00 107.14 2aq6 n LEU 45 Ca 0.06 -0.85 -0.09 0.00 -0.03 0.00 0.00 56.01 55.11 2aq6 n LEU 45 Cb 0.34 -2.79 -0.09 0.00 -2.33 0.00 0.00 43.42 38.55 2aq6 n LEU 45 CO 0.30 0.25 -0.20 -1.48 -1.33 0.00 0.00 177.39 174.93 2aq6 s LEU 46 N -5.88 1.79 -0.03 2.23 0.05 -1.09 -1.82 118.68 113.92 2aq6 s LEU 46 Ca 0.45 -0.61 0.06 0.00 0.05 0.00 0.00 54.13 54.08 2aq6 s LEU 46 Cb -0.11 0.66 -0.01 0.00 -2.05 0.00 0.00 46.19 44.67 2aq6 s LEU 46 CO 0.80 -0.57 -0.22 -0.63 -0.55 0.00 0.00 176.35 175.18 2aq6 s ILE 47 N -3.03 1.78 -0.03 1.48 1.01 -0.50 -1.11 121.20 120.80 2aq6 s ILE 47 Ca -0.01 -0.94 0.06 0.00 0.00 0.00 0.00 60.65 59.76 2aq6 s ILE 47 Cb 0.01 -1.50 -0.01 0.00 0.01 0.00 0.00 42.46 40.97 2aq6 s ILE 47 CO -0.07 0.50 -0.21 -1.10 0.00 0.00 0.00 174.94 174.06 2aq6 s GLN 48 N -0.29 1.86 0.09 2.79 -0.21 0.18 0.37 119.66 124.45 2aq6 s GLN 48 Ca 0.02 -0.76 -0.00 0.00 0.02 0.00 0.00 55.36 54.64 2aq6 s GLN 48 Cb -0.11 -1.73 -0.04 0.00 1.00 0.00 0.00 33.01 32.13 2aq6 s GLN 48 CO 0.01 0.41 -0.01 0.14 -2.12 0.00 0.00 175.29 173.72 2aq6 s VAL 49 N -0.36 0.31 -0.14 1.09 -7.23 -0.51 -1.06 120.40 112.50 2aq6 s VAL 49 Ca 0.04 -1.87 0.00 0.00 -1.81 0.00 0.00 61.98 58.34 2aq6 s VAL 49 Cb -0.10 -1.74 -0.01 0.00 0.56 0.00 0.00 36.38 35.09 2aq6 s VAL 49 CO 0.00 -0.79 -0.14 -0.55 -0.31 0.00 0.00 175.10 173.31 2aq6 s SER 50 N -3.00 3.84 0.10 4.85 0.15 -1.26 -0.53 113.70 117.85 2aq6 s SER 50 Ca 0.14 -0.39 0.02 0.00 0.70 0.00 0.00 55.95 56.42 2aq6 s SER 50 Cb 0.07 -1.59 -0.04 0.00 -1.71 0.00 0.00 66.02 62.76 2aq6 s SER 50 CO -0.05 0.13 -0.08 0.27 1.20 0.00 0.00 173.24 174.72 2aq6 s ILE 51 N 0.54 0.77 0.42 6.45 -4.36 -0.58 -4.95 121.20 119.50 2aq6 s ILE 51 Ca -0.09 -1.77 -0.22 0.00 -0.26 0.00 0.00 60.65 58.31 2aq6 s ILE 51 Cb -0.16 -1.48 -0.10 0.00 1.25 0.00 0.00 42.46 41.97 2aq6 s ILE 51 CO 0.04 -0.73 0.99 0.00 0.24 0.00 0.00 174.94 175.49 2aq6 s ALA 52 N -3.03 3.04 0.00 2.27 0.00 -1.26 0.22 121.76 123.00 2aq6 s ALA 52 Ca 0.08 0.54 -0.36 0.00 0.00 0.00 0.00 51.96 52.22 2aq6 s ALA 52 Cb 0.01 -3.21 -0.15 0.00 0.00 0.00 0.00 23.12 19.77 2aq6 s ALA 52 CO -0.02 -0.05 1.56 -1.91 0.00 0.00 0.00 175.76 175.34 2aq6 n GLU 53 N -0.38 1.56 -2.07 0.00 4.07 -0.39 -4.80 120.64 118.63 2aq6 n GLU 53 Ca 0.06 0.56 -0.37 0.00 -0.06 0.00 0.00 57.16 57.35 2aq6 n GLU 53 Cb 0.52 -2.28 0.01 0.00 -0.06 0.00 0.00 31.44 29.64 2aq6 n GLU 53 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2aq6 s PRO 54 N 1.76 3.41 0.22 5.31 0.04 -1.26 -5.05 135.00 139.43 2aq6 s PRO 54 Ca 0.87 1.92 0.03 0.00 0.04 0.00 0.00 61.00 63.86 2aq6 s PRO 54 Cb -0.87 -2.26 -0.05 0.00 0.04 0.00 0.00 34.50 31.36 2aq6 s PRO 54 CO 0.49 -0.88 0.00 1.03 0.04 0.00 0.00 177.00 177.68 2aq6 s ARG 55 N -2.90 1.31 3.91 4.56 0.52 -1.26 -4.41 118.95 120.67 2aq6 s ARG 55 Ca 0.69 -1.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.24 2aq6 s ARG 55 Cb -0.32 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.60 2aq6 s ARG 55 CO 0.38 -0.11 0.00 0.00 0.02 0.00 0.00 175.30 175.59 2aq6 n ALA 56 N -0.39 0.00 -0.19 2.13 0.00 -1.26 -2.01 120.51 118.79 2aq6 n ALA 56 Ca -0.05 0.00 0.16 0.00 0.00 0.00 0.00 53.44 53.55 2aq6 n ALA 56 Cb 0.64 0.00 0.50 0.00 0.00 0.00 0.00 19.45 20.59 2aq6 n ALA 56 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2aq6 h LYS 57 N 0.00 0.42 0.00 0.00 1.57 -2.00 -1.53 116.57 115.02 2aq6 h LYS 57 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 2aq6 h LYS 57 Cb 0.00 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.21 2aq6 h LYS 57 CO 0.00 0.28 0.00 1.15 -0.57 0.00 0.00 179.45 180.31 2aq6 h THR 58 N 0.43 0.00 -0.02 -0.16 2.02 -1.75 -2.32 112.91 111.12 2aq6 h THR 58 Ca 0.40 -0.61 0.00 0.00 0.77 0.00 0.00 66.41 66.97 2aq6 h THR 58 Cb 0.90 1.56 -0.00 0.00 -1.74 0.00 0.00 68.15 68.87 2aq6 h THR 58 CO -0.14 0.00 0.06 -0.09 0.37 0.00 0.00 175.52 175.72 2aq6 h ARG 59 N 0.00 0.00 0.00 6.66 2.43 -1.16 -2.41 114.38 119.91 2aq6 h ARG 59 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2aq6 h ARG 59 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2aq6 h ARG 59 CO 0.00 0.00 0.30 -0.97 -1.51 0.00 0.00 179.97 177.79 2aq6 h ASN 60 N 0.00 0.00 -0.57 -3.80 -0.73 -1.75 0.16 115.58 108.89 2aq6 h ASN 60 Ca 0.01 0.00 0.11 0.00 1.87 0.00 0.00 56.30 58.29 2aq6 h ASN 60 Cb 0.13 0.00 -0.03 0.00 0.27 0.00 0.00 38.32 38.68 2aq6 h ASN 60 CO -0.00 0.00 0.39 0.25 -0.37 0.00 0.00 177.43 177.70 2aq6 h LEU 61 N 0.00 0.27 -1.96 0.34 6.46 -1.55 -0.00 115.31 118.87 2aq6 h LEU 61 Ca 0.00 0.01 -0.02 0.00 -0.12 0.00 0.00 57.88 57.75 2aq6 h LEU 61 Cb 0.61 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.49 2aq6 h LEU 61 CO 0.00 0.16 -0.10 0.03 -0.62 0.00 0.00 178.44 177.91 2aq6 h ARG 62 N 0.30 0.00 0.00 1.25 2.47 -0.93 -2.95 114.38 114.52 2aq6 h ARG 62 Ca 0.27 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.99 2aq6 h ARG 62 Cb 0.65 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.97 2aq6 h ARG 62 CO -0.06 0.10 -1.03 2.89 0.56 0.00 0.00 179.97 182.43 2aq6 n ARG 63 N -3.56 1.82 -3.50 0.04 1.85 -0.23 -4.80 116.66 108.27 2aq6 n ARG 63 Ca -0.02 -0.05 -0.29 0.00 -1.00 0.00 0.00 57.85 56.49 2aq6 n ARG 63 Cb 0.23 -1.12 -0.12 0.00 -1.05 0.00 0.00 32.46 30.40 2aq6 n ARG 63 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 2aq6 s ASP 64 N -2.64 2.90 0.00 2.89 3.68 -0.18 -5.01 116.67 118.31 2aq6 s ASP 64 Ca -0.00 -2.41 0.02 0.00 2.13 0.00 0.00 52.55 52.29 2aq6 s ASP 64 Cb 0.07 -0.53 0.10 0.00 -1.45 0.00 0.00 42.92 41.11 2aq6 s ASP 64 CO 0.42 -0.28 0.96 -0.81 0.13 0.00 0.00 175.17 175.59 2aq6 n PRO 65 N 3.76 0.89 -1.92 4.34 -0.04 -1.12 -4.30 135.00 136.61 2aq6 n PRO 65 Ca 0.14 0.00 -0.42 0.00 -0.04 0.00 0.00 63.50 63.18 2aq6 n PRO 65 Cb 0.38 -1.03 -0.03 0.00 -0.04 0.00 0.00 33.50 32.78 2aq6 n PRO 65 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 2aq6 s ARG 66 N -2.00 4.21 0.09 0.54 0.52 -1.26 -0.49 118.95 120.56 2aq6 s ARG 66 Ca 0.03 2.38 -0.09 0.00 -0.52 0.00 0.00 55.73 57.52 2aq6 s ARG 66 Cb 0.01 -3.19 0.00 0.00 0.52 0.00 0.00 34.95 32.29 2aq6 s ARG 66 CO 0.02 -0.63 0.21 0.00 0.02 0.00 0.00 175.30 174.92 2aq6 s ALA 67 N 1.29 -0.28 0.04 2.13 0.00 -0.36 -4.31 121.76 120.27 2aq6 s ALA 67 Ca 0.71 -0.57 -0.04 0.00 0.00 0.00 0.00 51.96 52.06 2aq6 s ALA 67 Cb -0.44 0.51 -0.02 0.00 0.00 0.00 0.00 23.12 23.17 2aq6 s ALA 67 CO 0.31 -0.52 0.04 -1.12 0.00 0.00 0.00 175.76 174.48 2aq6 s SER 68 N -2.86 0.28 -0.03 0.00 0.01 -1.04 -1.39 113.70 108.67 2aq6 s SER 68 Ca 0.05 -0.69 -0.01 0.00 1.31 0.00 0.00 55.95 56.61 2aq6 s SER 68 Cb 0.05 0.21 0.03 0.00 0.21 0.00 0.00 66.02 66.51 2aq6 s SER 68 CO -0.11 -0.53 0.03 -0.51 0.41 0.00 0.00 173.24 172.53 2aq6 s ILE 69 N -2.98 0.02 -0.15 1.44 2.07 -0.33 -0.97 121.20 120.30 2aq6 s ILE 69 Ca -0.02 0.24 -0.09 0.00 -1.41 0.00 0.00 60.65 59.37 2aq6 s ILE 69 Cb 0.01 -0.19 -0.05 0.00 0.13 0.00 0.00 42.46 42.37 2aq6 s ILE 69 CO -0.06 0.15 0.16 -0.22 -1.91 0.00 0.00 174.94 173.05 2aq6 s LEU 70 N 1.47 4.30 -0.09 8.50 0.20 -0.35 -1.24 118.68 131.47 2aq6 s LEU 70 Ca -0.04 0.39 0.03 0.00 0.69 0.00 0.00 54.13 55.20 2aq6 s LEU 70 Cb -0.13 -2.13 0.00 0.00 -0.43 0.00 0.00 46.19 43.51 2aq6 s LEU 70 CO -0.03 0.28 -0.20 -0.69 -0.29 0.00 0.00 176.35 175.42 2aq6 s VAL 71 N -0.28 1.72 0.24 1.68 1.01 0.64 -0.58 120.40 124.82 2aq6 s VAL 71 Ca 0.12 -0.82 -0.25 0.00 0.00 0.00 0.00 61.98 61.03 2aq6 s VAL 71 Cb -0.12 -1.50 -0.09 0.00 0.00 0.00 0.00 36.38 34.67 2aq6 s VAL 71 CO 0.02 0.48 0.85 -1.81 0.00 0.00 0.00 175.10 174.64 2aq6 s ASP 72 N 0.46 7.37 0.77 3.32 1.01 -1.26 -1.31 116.67 127.03 2aq6 s ASP 72 Ca -0.17 1.72 -0.04 0.00 0.71 0.00 0.00 52.55 54.77 2aq6 s ASP 72 Cb -0.17 -2.53 0.10 0.00 1.01 0.00 0.00 42.92 41.33 2aq6 s ASP 72 CO 0.07 0.09 0.65 0.00 0.21 0.00 0.00 175.17 176.18 2aq6 n ALA 73 N 1.10 -0.33 -0.34 5.23 0.00 -0.78 -4.88 120.51 120.51 2aq6 n ALA 73 Ca -0.02 -1.04 0.11 0.00 0.00 0.00 0.00 53.44 52.49 2aq6 n ALA 73 Cb 0.49 0.08 0.30 0.00 0.00 0.00 0.00 19.45 20.32 2aq6 n ALA 73 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2aq6 n ASP 74 N -3.19 3.83 0.00 0.00 5.68 -1.26 -4.93 116.55 116.67 2aq6 n ASP 74 Ca 0.09 -2.00 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 2aq6 n ASP 74 Cb 0.33 -0.45 0.00 0.00 -1.14 0.00 0.00 41.12 39.85 2aq6 n ASP 74 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 2aq6 n ASP 75 N 1.51 0.20 0.35 -1.12 3.85 -1.26 -5.06 116.55 115.02 2aq6 n ASP 75 Ca 0.23 0.00 -0.14 0.00 -0.71 0.00 0.00 54.79 54.17 2aq6 n ASP 75 Cb 0.60 0.00 -0.07 0.00 -1.35 0.00 0.00 41.12 40.30 2aq6 n ASP 75 CO 0.00 0.00 0.00 1.23 -1.01 0.00 0.00 177.20 177.42 2aq6 h GLY 76 N 0.00 -0.95 0.00 6.12 0.00 -2.04 -3.42 103.07 102.78 2aq6 h GLY 76 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 47.33 47.68 2aq6 h GLY 76 CO 0.00 -0.35 0.00 0.79 0.00 0.00 0.00 176.54 176.98 2aq6 n TRP 77 N -5.04 0.00 -1.71 5.60 7.02 -1.26 -5.07 117.44 116.99 2aq6 n TRP 77 Ca -0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 55.98 2aq6 n TRP 77 Cb 0.36 0.00 0.05 0.00 -2.42 0.00 0.00 31.31 29.29 2aq6 n TRP 77 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 2aq6 n SER 78 N -0.69 2.12 -3.52 -0.99 7.64 -1.26 -4.91 113.62 112.01 2aq6 n SER 78 Ca 0.00 0.93 -0.09 0.00 1.01 0.00 0.00 58.87 60.72 2aq6 n SER 78 Cb 0.01 -1.52 -0.02 0.00 -1.01 0.00 0.00 64.21 61.67 2aq6 n SER 78 CO 0.00 0.00 0.00 -0.72 -3.01 0.00 0.00 175.04 171.31 2aq6 s TYR 79 N -1.34 -0.40 0.01 1.43 1.13 -0.15 -1.87 117.35 116.16 2aq6 s TYR 79 Ca 0.73 0.19 0.03 0.00 -1.41 0.00 0.00 57.07 56.62 2aq6 s TYR 79 Cb -0.42 0.57 -0.01 0.00 -1.10 0.00 0.00 41.96 40.99 2aq6 s TYR 79 CO 0.48 -0.74 -0.11 0.00 -2.51 0.00 0.00 175.55 172.67 2aq6 s ALA 80 N -3.45 0.90 -0.11 9.51 0.00 -0.42 -1.19 121.76 127.00 2aq6 s ALA 80 Ca 0.04 -0.57 0.02 0.00 0.00 0.00 0.00 51.96 51.46 2aq6 s ALA 80 Cb -0.01 -0.18 0.01 0.00 0.00 0.00 0.00 23.12 22.93 2aq6 s ALA 80 CO -0.09 0.19 -0.17 0.08 0.00 0.00 0.00 175.76 175.77 2aq6 s VAL 81 N -0.49 1.65 -0.19 0.00 1.01 0.12 -0.26 120.40 122.23 2aq6 s VAL 81 Ca 0.02 -0.74 -0.09 0.00 0.00 0.00 0.00 61.98 61.17 2aq6 s VAL 81 Cb -0.05 -1.48 -0.04 0.00 0.00 0.00 0.00 36.38 34.80 2aq6 s VAL 81 CO 0.00 0.47 0.10 0.00 0.00 0.00 0.00 175.10 175.67 2aq6 s ALA 82 N 0.85 3.53 -0.02 5.51 0.00 -0.37 -1.46 121.76 129.80 2aq6 s ALA 82 Ca -0.09 -0.74 0.08 0.00 0.00 0.00 0.00 51.96 51.21 2aq6 s ALA 82 Cb -0.15 -2.05 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 2aq6 s ALA 82 CO 0.00 0.13 -0.25 -2.00 0.00 0.00 0.00 175.76 173.64 2aq6 s GLU 83 N 0.43 2.08 0.03 0.00 2.12 0.92 -1.19 118.70 123.11 2aq6 s GLU 83 Ca 0.05 -0.90 -0.11 0.00 0.36 0.00 0.00 54.97 54.37 2aq6 s GLU 83 Cb -0.12 -1.99 0.04 0.00 0.26 0.00 0.00 34.13 32.31 2aq6 s GLU 83 CO -0.00 0.53 0.51 0.41 -0.54 0.00 0.00 175.26 176.17 2aq6 n GLY 84 N 2.49 0.71 3.34 -1.50 0.00 -0.49 0.14 105.19 109.89 2aq6 n GLY 84 Ca -0.16 -0.97 -0.38 0.00 0.00 0.00 0.00 46.02 44.51 2aq6 n GLY 84 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2aq6 s THR 85 N -2.22 4.04 0.48 2.61 2.01 -1.26 -1.22 115.64 120.08 2aq6 s THR 85 Ca 0.12 -0.78 -0.22 0.00 0.31 0.00 0.00 61.69 61.12 2aq6 s THR 85 Cb -0.01 -3.14 -0.07 0.00 0.01 0.00 0.00 72.50 69.29 2aq6 s THR 85 CO 0.01 -0.01 1.14 0.00 -0.69 0.00 0.00 174.62 175.07 2aq6 s ALA 86 N 1.49 2.91 -0.12 7.40 0.00 0.36 -4.30 121.76 129.51 2aq6 s ALA 86 Ca 0.02 0.86 0.02 0.00 0.00 0.00 0.00 51.96 52.86 2aq6 s ALA 86 Cb -0.18 -3.36 -0.00 0.00 0.00 0.00 0.00 23.12 19.58 2aq6 s ALA 86 CO 0.03 -0.62 -0.20 -0.65 0.00 0.00 0.00 175.76 174.33 2aq6 s GLN 87 N -2.86 3.18 0.00 0.00 -0.21 -0.02 -4.79 119.66 114.95 2aq6 s GLN 87 Ca 0.66 -0.80 0.08 0.00 0.02 0.00 0.00 55.36 55.31 2aq6 s GLN 87 Cb -0.26 -2.44 -0.02 0.00 1.00 0.00 0.00 33.01 31.28 2aq6 s GLN 87 CO 0.31 0.17 -0.24 -0.51 -2.12 0.00 0.00 175.29 172.90 2aq6 s LEU 88 N 0.39 2.20 0.68 2.90 1.02 -1.26 -0.81 118.68 123.80 2aq6 s LEU 88 Ca -0.15 -0.48 -0.07 0.00 0.02 0.00 0.00 54.13 53.45 2aq6 s LEU 88 Cb -0.17 -1.36 0.04 0.00 0.02 0.00 0.00 46.19 44.72 2aq6 s LEU 88 CO 0.07 0.30 1.00 0.42 0.02 0.00 0.00 176.35 178.15 2aq6 s THR 89 N -0.71 2.77 0.81 5.49 -4.23 -1.07 -5.01 115.64 113.69 2aq6 s THR 89 Ca 0.11 -0.11 -0.11 0.00 -1.18 0.00 0.00 61.69 60.40 2aq6 s THR 89 Cb -0.10 -3.18 0.07 0.00 1.34 0.00 0.00 72.50 70.64 2aq6 s THR 89 CO 0.01 -0.19 1.09 -2.16 -0.54 0.00 0.00 174.62 172.82 2aq6 s PRO 90 N -5.20 2.01 0.51 3.99 0.04 -1.26 -4.66 135.00 130.42 2aq6 s PRO 90 Ca 0.58 0.86 -0.21 0.00 0.04 0.00 0.00 61.00 62.27 2aq6 s PRO 90 Cb -0.11 -1.89 -0.06 0.00 0.04 0.00 0.00 34.50 32.48 2aq6 s PRO 90 CO 0.46 -1.73 1.18 -1.25 0.04 0.00 0.00 177.00 175.70 2aq6 s PRO 91 N -5.01 3.50 0.25 0.56 0.04 -1.26 -4.73 135.00 128.34 2aq6 s PRO 91 Ca 0.61 1.79 -0.31 0.00 0.04 0.00 0.00 61.00 63.13 2aq6 s PRO 91 Cb -0.16 -2.23 -0.12 0.00 0.04 0.00 0.00 34.50 32.03 2aq6 s PRO 91 CO 0.56 -0.77 1.66 0.00 0.04 0.00 0.00 177.00 178.48 2aq6 n ALA 92 N -0.88 2.66 0.00 8.56 0.00 0.47 -4.86 120.51 126.46 2aq6 n ALA 92 Ca 0.09 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.92 2aq6 n ALA 92 Cb 0.49 -2.49 0.00 0.00 0.00 0.00 0.00 19.45 17.45 2aq6 n ALA 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aq6 n ALA 93 N 3.08 1.08 -2.80 0.00 0.00 -1.26 -4.48 120.51 116.12 2aq6 n ALA 93 Ca 0.12 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.42 2aq6 n ALA 93 Cb 0.36 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.66 2aq6 n ALA 93 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2aq6 s ALA 94 N -0.95 0.26 0.49 0.00 0.00 -1.26 -5.02 121.76 115.28 2aq6 s ALA 94 Ca 0.00 -0.14 0.27 0.00 0.00 0.00 0.00 51.96 52.09 2aq6 s ALA 94 Cb 0.00 -0.06 1.47 0.00 0.00 0.00 0.00 23.12 24.53 2aq6 s ALA 94 CO 0.00 0.06 1.81 -1.00 0.00 0.00 0.00 175.76 176.63 2aq6 h PRO 95 N 6.06 0.00 0.00 0.00 0.13 -1.97 -2.07 132.00 134.15 2aq6 h PRO 95 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 2aq6 h PRO 95 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2aq6 h PRO 95 CO 0.50 0.00 -0.09 -0.40 -0.23 0.00 0.00 178.00 177.79 2aq6 n ASP 96 N -2.70 1.87 -4.81 1.44 5.75 -1.26 -4.84 116.55 112.00 2aq6 n ASP 96 Ca -0.02 -2.78 -0.29 0.00 -0.01 0.00 0.00 54.79 51.69 2aq6 n ASP 96 Cb 0.33 -0.35 0.11 0.00 -1.03 0.00 0.00 41.12 40.18 2aq6 n ASP 96 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2aq6 s ASP 97 N -2.35 4.09 0.44 -1.12 1.47 -0.78 -4.82 116.67 113.60 2aq6 s ASP 97 Ca 0.23 0.81 0.16 0.00 1.18 0.00 0.00 52.55 54.93 2aq6 s ASP 97 Cb 0.20 -1.30 1.07 0.00 -0.34 0.00 0.00 42.92 42.56 2aq6 s ASP 97 CO 0.02 -2.17 1.95 0.44 0.68 0.00 0.00 175.17 176.09 2aq6 h ASP 98 N -1.24 0.35 -0.26 2.11 3.32 -1.98 -1.90 116.42 116.82 2aq6 h ASP 98 Ca -0.47 0.02 -0.05 0.00 0.02 0.00 0.00 57.03 56.55 2aq6 h ASP 98 Cb 1.33 -0.06 -0.01 0.00 0.22 0.00 0.00 39.33 40.81 2aq6 h ASP 98 CO 0.63 0.19 -0.01 0.74 -1.72 0.00 0.00 179.24 179.07 2aq6 h THR 99 N 0.38 1.26 -0.47 0.35 2.02 -1.92 -1.49 112.91 113.04 2aq6 h THR 99 Ca 0.33 -0.95 -0.08 0.00 0.77 0.00 0.00 66.41 66.48 2aq6 h THR 99 Cb 0.76 1.36 -0.02 0.00 -1.74 0.00 0.00 68.15 68.51 2aq6 h THR 99 CO -0.09 0.30 -0.03 0.58 0.37 0.00 0.00 175.52 176.65 2aq6 h VAL 100 N 0.25 1.25 -0.79 3.16 2.07 -1.68 -0.66 116.25 119.85 2aq6 h VAL 100 Ca 0.07 -1.05 0.00 0.00 0.82 0.00 0.00 66.70 66.54 2aq6 h VAL 100 Cb 0.45 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 2aq6 h VAL 100 CO 0.02 0.37 0.50 -0.33 0.02 0.00 0.00 177.57 178.14 2aq6 h GLU 101 N 0.74 1.05 -0.50 1.57 4.39 -1.23 0.15 114.58 120.74 2aq6 h GLU 101 Ca 0.14 -0.08 -0.09 0.00 0.34 0.00 0.00 59.36 59.66 2aq6 h GLU 101 Cb 0.49 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 2aq6 h GLU 101 CO 0.03 0.72 -0.06 0.00 -1.16 0.00 0.00 179.01 178.54 2aq6 h ALA 102 N 1.27 0.94 0.00 3.43 0.00 -0.70 -2.58 119.26 121.62 2aq6 h ALA 102 Ca 0.29 -0.31 -0.05 0.00 0.00 0.00 0.00 54.91 54.84 2aq6 h ALA 102 Cb -0.08 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 2aq6 h ALA 102 CO -0.06 0.63 -0.22 -0.07 0.00 0.00 0.00 179.25 179.52 2aq6 h LEU 103 N 0.81 0.00 -0.26 0.00 3.38 -0.34 -1.42 115.31 117.48 2aq6 h LEU 103 Ca 0.14 0.00 -0.16 0.00 0.09 0.00 0.00 57.88 57.95 2aq6 h LEU 103 Cb 0.57 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.32 2aq6 h LEU 103 CO 0.03 0.22 -0.47 0.40 0.09 0.00 0.00 178.44 178.72 2aq6 h ILE 104 N 0.00 1.29 -0.70 1.22 2.04 -0.62 -1.31 117.51 119.43 2aq6 h ILE 104 Ca -0.00 -1.66 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 2aq6 h ILE 104 Cb 0.71 1.69 -0.03 0.00 -0.74 0.00 0.00 36.82 38.45 2aq6 h ILE 104 CO 0.03 0.53 0.19 0.00 0.00 0.00 0.00 178.15 178.91 2aq6 h ALA 105 N 0.66 0.93 -0.34 1.87 0.00 -1.12 -1.61 119.26 119.65 2aq6 h ALA 105 Ca 0.02 -0.23 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 2aq6 h ALA 105 Cb 1.07 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 2aq6 h ALA 105 CO 0.11 0.63 0.20 1.25 0.00 0.00 0.00 179.25 181.43 2aq6 h LEU 106 N 1.05 0.42 -1.00 0.00 5.85 -1.13 -1.00 115.31 119.49 2aq6 h LEU 106 Ca 0.22 -0.07 0.03 0.00 0.84 0.00 0.00 57.88 58.90 2aq6 h LEU 106 Cb 0.34 -0.11 -0.05 0.00 0.37 0.00 0.00 40.66 41.21 2aq6 h LEU 106 CO -0.00 0.36 0.66 0.22 -0.34 0.00 0.00 178.44 179.34 2aq6 h TYR 107 N 0.44 1.24 -0.70 1.25 5.03 -0.94 -0.40 116.97 122.88 2aq6 h TYR 107 Ca 0.12 0.03 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 2aq6 h TYR 107 Cb 0.03 -0.42 -0.03 0.00 1.55 0.00 0.00 36.73 37.86 2aq6 h TYR 107 CO -0.03 0.74 0.18 0.00 -1.32 0.00 0.00 178.16 177.73 2aq6 h ARG 108 N 1.30 1.11 -0.20 1.82 3.08 -0.82 0.40 114.38 121.07 2aq6 h ARG 108 Ca 0.39 -0.25 -0.13 0.00 0.07 0.00 0.00 59.98 60.05 2aq6 h ARG 108 Cb -0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.83 2aq6 h ARG 108 CO -0.11 0.97 -0.43 -0.91 -1.07 0.00 0.00 179.97 178.42 2aq6 h ASN 109 N 1.06 0.52 0.00 7.04 2.35 -0.37 -1.97 115.58 124.21 2aq6 h ASN 109 Ca 0.22 -0.24 -0.10 0.00 -0.55 0.00 0.00 56.30 55.63 2aq6 h ASN 109 Cb 0.35 -0.15 -0.02 0.00 0.05 0.00 0.00 38.32 38.55 2aq6 h ASN 109 CO -0.00 0.89 -0.65 0.40 -1.65 0.00 0.00 177.43 176.42 2aq6 h ILE 110 N 0.40 0.91 0.00 2.81 2.04 -0.89 -3.43 117.51 119.34 2aq6 h ILE 110 Ca 0.03 -1.90 -0.13 0.00 1.00 0.00 0.00 64.86 63.86 2aq6 h ILE 110 Cb 0.92 1.93 -0.02 0.00 -0.74 0.00 0.00 36.82 38.91 2aq6 h ILE 110 CO 0.08 0.31 -1.71 0.00 0.00 0.00 0.00 178.15 176.83 2aq6 n ALA 111 N -3.16 2.01 0.00 1.87 0.00 0.13 -5.09 120.51 116.27 2aq6 n ALA 111 Ca -0.18 -0.58 0.00 0.00 0.00 0.00 0.00 53.44 52.67 2aq6 n ALA 111 Cb 0.48 -0.17 0.00 0.00 0.00 0.00 0.00 19.45 19.76 2aq6 n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2aq6 n GLY 112 N 2.09 -0.17 3.70 0.00 0.00 -0.50 -4.98 105.19 105.33 2aq6 n GLY 112 Ca -0.12 -2.03 -0.42 0.00 0.00 0.00 0.00 46.02 43.45 2aq6 n GLY 112 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2aq6 s GLU 113 N 0.00 4.37 0.36 1.61 2.56 -1.26 -3.57 118.70 122.76 2aq6 s GLU 113 Ca 0.00 1.85 -0.21 0.00 0.00 0.00 0.00 54.97 56.61 2aq6 s GLU 113 Cb 0.00 -3.42 -0.10 0.00 2.00 0.00 0.00 34.13 32.61 2aq6 s GLU 113 CO 0.00 -0.39 0.89 -1.58 -0.56 0.00 0.00 175.26 173.61 2aq6 s HIS 114 N 1.57 3.45 0.21 5.30 5.65 -1.26 -4.99 115.29 125.23 2aq6 s HIS 114 Ca 0.60 1.56 0.05 0.00 0.25 0.00 0.00 55.06 57.52 2aq6 s HIS 114 Cb -0.30 -2.79 0.15 0.00 -1.18 0.00 0.00 32.58 28.46 2aq6 s HIS 114 CO 0.27 0.05 1.49 0.77 -0.65 0.00 0.00 174.74 176.68 2aq6 h SER 115 N 2.45 0.19 -2.26 9.88 0.02 -2.03 -3.40 113.55 118.40 2aq6 h SER 115 Ca -0.48 -0.13 -0.53 0.00 -0.84 0.00 0.00 61.79 59.81 2aq6 h SER 115 Cb 1.18 -0.06 -0.36 0.00 0.14 0.00 0.00 62.40 63.31 2aq6 h SER 115 CO 0.63 0.85 -0.88 -0.62 -1.14 0.00 0.00 176.83 175.68 2aq6 s ASP 116 N -6.89 1.53 0.51 3.07 -1.08 -1.26 -4.99 116.67 107.57 2aq6 s ASP 116 Ca -0.03 -2.58 0.23 0.00 -0.52 0.00 0.00 52.55 49.66 2aq6 s ASP 116 Cb 0.11 -0.12 1.34 0.00 -1.46 0.00 0.00 42.92 42.79 2aq6 s ASP 116 CO 0.80 -0.21 1.99 -0.50 0.52 0.00 0.00 175.17 177.78 2aq6 h TRP 117 N 6.09 0.07 -0.33 -5.34 4.06 -2.00 0.22 115.95 118.73 2aq6 h TRP 117 Ca 0.18 0.00 -0.08 0.00 2.06 0.00 0.00 58.89 61.04 2aq6 h TRP 117 Cb 0.96 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 29.08 2aq6 h TRP 117 CO 0.30 0.03 -0.15 -0.44 -3.56 0.00 0.00 178.44 174.62 2aq6 h ASP 118 N 0.06 0.57 -0.35 -3.49 3.32 -1.98 0.15 116.42 114.70 2aq6 h ASP 118 Ca 0.25 -0.17 -0.13 0.00 0.02 0.00 0.00 57.03 57.01 2aq6 h ASP 118 Cb 0.93 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 40.31 2aq6 h ASP 118 CO -0.02 0.75 -0.29 -0.78 -1.72 0.00 0.00 179.24 177.18 2aq6 h ASP 119 N 0.53 0.86 -0.35 6.45 -0.00 -1.40 -2.90 116.42 119.61 2aq6 h ASP 119 Ca 0.09 -0.45 -0.01 0.00 -0.00 0.00 0.00 57.03 56.67 2aq6 h ASP 119 Cb 0.57 -0.24 -0.02 0.00 -0.00 0.00 0.00 39.33 39.64 2aq6 h ASP 119 CO 0.04 1.13 0.19 0.22 -0.00 0.00 0.00 179.24 180.82 2aq6 h TYR 120 N 0.60 0.47 -0.11 0.28 3.20 -0.90 -1.91 116.97 118.61 2aq6 h TYR 120 Ca 0.06 -0.01 0.03 0.00 3.14 0.00 0.00 58.73 61.95 2aq6 h TYR 120 Cb 0.86 -0.15 -0.03 0.00 1.54 0.00 0.00 36.73 38.95 2aq6 h TYR 120 CO 0.07 0.37 -0.07 0.00 -1.64 0.00 0.00 178.16 176.89 2aq6 h ARG 121 N 0.44 -0.07 -0.42 1.82 3.08 -0.95 -1.21 114.38 117.08 2aq6 h ARG 121 Ca 0.12 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.13 2aq6 h ARG 121 Cb 0.05 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 30.09 2aq6 h ARG 121 CO -0.02 -0.04 0.05 -0.56 -1.07 0.00 0.00 179.97 178.32 2aq6 h GLN 122 N -0.07 0.65 -0.70 0.04 -0.00 -1.45 -2.34 115.11 111.24 2aq6 h GLN 122 Ca 0.07 -0.14 -0.05 0.00 -0.00 0.00 0.00 58.65 58.53 2aq6 h GLN 122 Cb 0.17 -0.09 -0.03 0.00 -0.00 0.00 0.00 27.48 27.52 2aq6 h GLN 122 CO -0.16 0.64 0.24 0.00 -0.00 0.00 0.00 178.83 179.55 2aq6 h ALA 123 N 1.43 1.11 -0.40 0.06 0.00 -0.82 0.10 119.26 120.73 2aq6 h ALA 123 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 2aq6 h ALA 123 Cb 0.32 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 2aq6 h ALA 123 CO 0.01 0.62 0.05 0.52 0.00 0.00 0.00 179.25 180.45 2aq6 h MET 124 N 1.03 0.67 -0.36 0.00 2.86 -0.78 -1.93 114.93 116.42 2aq6 h MET 124 Ca 0.23 -0.19 -0.04 0.00 -2.06 0.00 0.00 59.70 57.65 2aq6 h MET 124 Cb 0.25 -0.07 -0.01 0.00 0.06 0.00 0.00 31.60 31.82 2aq6 h MET 124 CO -0.01 0.73 0.09 0.28 1.06 0.00 0.00 176.91 179.05 2aq6 h VAL 125 N 0.52 1.22 -0.11 -2.22 2.07 -1.10 -0.82 116.25 115.81 2aq6 h VAL 125 Ca 0.12 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2aq6 h VAL 125 Cb 0.40 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 2aq6 h VAL 125 CO 0.01 0.26 0.02 0.74 0.02 0.00 0.00 177.57 178.63 2aq6 h THR 126 N 0.43 1.06 -0.66 2.57 2.02 -0.88 -1.40 112.91 116.06 2aq6 h THR 126 Ca 0.11 -0.22 0.00 0.00 0.77 0.00 0.00 66.41 67.08 2aq6 h THR 126 Cb 0.31 0.95 0.00 0.00 -1.74 0.00 0.00 68.15 67.67 2aq6 h THR 126 CO 0.00 0.07 0.00 -0.67 0.37 0.00 0.00 175.52 175.30 2aq6 n ASP 127 N -4.47 3.74 -4.24 4.18 4.64 -0.73 -4.93 116.55 114.74 2aq6 n ASP 127 Ca -0.01 -2.08 -0.34 0.00 -1.38 0.00 0.00 54.79 50.98 2aq6 n ASP 127 Cb 0.12 -0.47 -0.05 0.00 -1.04 0.00 0.00 41.12 39.69 2aq6 n ASP 127 CO 0.00 0.00 0.00 0.54 -0.82 0.00 0.00 177.20 176.92 2aq6 n ARG 128 N 1.37 -2.31 -1.77 -0.67 1.74 -0.53 -3.99 116.66 110.51 2aq6 n ARG 128 Ca 0.23 0.28 -0.41 0.00 -0.77 0.00 0.00 57.85 57.18 2aq6 n ARG 128 Cb 0.61 -4.60 -0.00 0.00 -1.02 0.00 0.00 32.46 27.46 2aq6 n ARG 128 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2aq6 n ARG 129 N -4.37 2.67 -5.04 5.56 5.12 -0.38 -1.26 116.66 118.96 2aq6 n ARG 129 Ca -0.09 0.94 -0.27 0.00 -1.93 0.00 0.00 57.85 56.50 2aq6 n ARG 129 Cb 0.57 -2.67 -0.16 0.00 -1.16 0.00 0.00 32.46 29.04 2aq6 n ARG 129 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2aq6 s VAL 130 N -0.99 1.67 -0.29 1.55 1.01 0.13 -0.39 120.40 123.09 2aq6 s VAL 130 Ca 0.54 -0.90 -0.15 0.00 0.00 0.00 0.00 61.98 61.47 2aq6 s VAL 130 Cb -0.48 -1.39 -0.03 0.00 0.00 0.00 0.00 36.38 34.48 2aq6 s VAL 130 CO 0.62 0.47 0.38 -0.22 0.00 0.00 0.00 175.10 176.35 2aq6 s LEU 131 N -0.48 4.13 -0.27 3.92 0.20 -1.26 -1.52 118.68 123.39 2aq6 s LEU 131 Ca 0.08 0.18 -0.11 0.00 0.69 0.00 0.00 54.13 54.97 2aq6 s LEU 131 Cb -0.08 -2.42 -0.05 0.00 -0.43 0.00 0.00 46.19 43.21 2aq6 s LEU 131 CO -0.01 -0.23 0.17 -0.22 -0.29 0.00 0.00 176.35 175.78 2aq6 s LEU 132 N 2.09 3.97 -0.20 -0.68 0.20 0.32 -2.59 118.68 121.78 2aq6 s LEU 132 Ca 0.15 -0.02 -0.05 0.00 0.69 0.00 0.00 54.13 54.90 2aq6 s LEU 132 Cb -0.16 -2.10 -0.03 0.00 -0.43 0.00 0.00 46.19 43.48 2aq6 s LEU 132 CO 0.10 -0.04 0.01 -0.89 -0.29 0.00 0.00 176.35 175.25 2aq6 s THR 133 N 1.67 4.01 -0.42 3.68 2.01 0.01 -1.43 115.64 125.18 2aq6 s THR 133 Ca 0.07 -0.29 -0.00 0.00 0.31 0.00 0.00 61.69 61.78 2aq6 s THR 133 Cb -0.16 -2.82 0.11 0.00 0.01 0.00 0.00 72.50 69.65 2aq6 s THR 133 CO 0.10 0.42 0.19 -0.22 -0.69 0.00 0.00 174.62 174.42 2aq6 s LEU 134 N 1.02 5.04 0.05 4.42 2.96 0.16 -0.84 118.68 131.49 2aq6 s LEU 134 Ca 0.02 -2.23 -0.31 0.00 -0.22 0.00 0.00 54.13 51.39 2aq6 s LEU 134 Cb -0.14 -1.76 -0.07 0.00 0.50 0.00 0.00 46.19 44.72 2aq6 s LEU 134 CO 0.02 -0.45 1.44 -2.84 -1.32 0.00 0.00 176.35 173.19 2aq6 s PRO 135 N 0.83 4.28 -0.18 0.98 0.02 -1.26 -1.41 135.00 138.26 2aq6 s PRO 135 Ca 0.11 2.07 -0.29 0.00 0.02 0.00 0.00 61.00 62.90 2aq6 s PRO 135 Cb -0.22 -3.45 -0.02 0.00 0.02 0.00 0.00 34.50 30.83 2aq6 s PRO 135 CO -0.05 -0.55 1.43 0.42 -0.33 0.00 0.00 177.00 177.93 2aq6 s ILE 136 N 1.94 3.97 -0.22 2.83 1.01 -0.76 -4.14 121.20 125.84 2aq6 s ILE 136 Ca 0.66 1.14 0.12 0.00 0.00 0.00 0.00 60.65 62.57 2aq6 s ILE 136 Cb -0.35 -3.85 -0.22 0.00 0.01 0.00 0.00 42.46 38.05 2aq6 s ILE 136 CO 0.29 -0.23 -0.03 -1.20 0.00 0.00 0.00 174.94 173.76 2aq6 n SER 137 N 7.37 0.70 -3.82 3.58 7.64 0.12 -4.99 113.62 124.22 2aq6 n SER 137 Ca 0.16 -0.05 -0.12 0.00 1.01 0.00 0.00 58.87 59.87 2aq6 n SER 137 Cb 0.45 0.51 -0.11 0.00 -1.01 0.00 0.00 64.21 64.04 2aq6 n SER 137 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 2aq6 s HIS 138 N -2.50 -0.13 -0.06 1.43 5.65 -0.75 -5.00 115.29 113.93 2aq6 s HIS 138 Ca -0.19 0.30 0.01 0.00 0.25 0.00 0.00 55.06 55.43 2aq6 s HIS 138 Cb 0.07 0.04 0.02 0.00 -1.18 0.00 0.00 32.58 31.53 2aq6 s HIS 138 CO 0.75 -0.17 -0.06 0.08 -0.65 0.00 0.00 174.74 174.68 2aq6 s VAL 139 N -0.43 0.70 0.29 0.89 1.01 -1.26 -0.05 120.40 121.56 2aq6 s VAL 139 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 61.98 61.78 2aq6 s VAL 139 Cb -0.03 -0.72 -0.03 0.00 0.00 0.00 0.00 36.38 35.60 2aq6 s VAL 139 CO 0.01 0.27 0.24 -0.72 0.00 0.00 0.00 175.10 174.90 2aq6 s TYR 140 N 1.05 1.57 -4.50 5.22 1.13 -0.54 -4.80 117.35 116.49 2aq6 s TYR 140 Ca -0.09 -1.58 0.00 0.00 -1.41 0.00 0.00 57.07 54.00 2aq6 s TYR 140 Cb -0.14 -0.66 0.00 0.00 -1.10 0.00 0.00 41.96 40.06 2aq6 s TYR 140 CO -0.00 -0.81 0.00 0.41 -2.51 0.00 0.00 175.55 172.63 2aq6 n GLY 141 N -0.52 0.94 3.03 5.49 0.00 -1.26 0.14 105.19 113.00 2aq6 n GLY 141 Ca 0.06 -1.92 -0.31 0.00 0.00 0.00 0.00 46.02 43.84 2aq6 n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2aq6 s LEU 142 N 0.00 3.72 0.33 0.99 2.96 -0.33 -4.98 118.68 121.37 2aq6 s LEU 142 Ca 0.00 -1.61 -0.28 0.00 -0.22 0.00 0.00 54.13 52.02 2aq6 s LEU 142 Cb 0.00 -1.52 -0.09 0.00 0.50 0.00 0.00 46.19 45.08 2aq6 s LEU 142 CO 0.00 -0.26 1.13 -2.16 -1.32 0.00 0.00 176.35 173.74 2aq6 s PRO 143 N 1.08 4.43 0.73 0.98 0.04 -1.26 -0.97 135.00 140.03 2aq6 s PRO 143 Ca -0.02 1.82 -0.11 0.00 0.04 0.00 0.00 61.00 62.72 2aq6 s PRO 143 Cb -0.20 -2.99 0.03 0.00 0.04 0.00 0.00 34.50 31.38 2aq6 s PRO 143 CO -0.07 0.02 1.08 -1.25 0.04 0.00 0.00 177.00 176.82 2aq6 s PRO 144 N -1.79 2.67 0.00 0.56 0.04 -1.26 -4.92 135.00 130.30 2aq6 s PRO 144 Ca 0.49 0.72 0.00 0.00 0.04 0.00 0.00 61.00 62.25 2aq6 s PRO 144 Cb -0.31 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2aq6 s PRO 144 CO 0.40 -1.23 0.00 0.41 0.04 0.00 0.00 177.00 176.62 2aq6 n GLY 145 N -2.31 3.80 3.62 0.56 0.00 -1.26 -5.06 105.19 104.55 2aq6 n GLY 145 Ca 0.07 -2.19 -0.46 0.00 0.00 0.00 0.00 46.02 43.44 2aq6 n GLY 145 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2aq6 n MET 146 N -0.18 1.53 0.00 1.61 1.56 -1.26 -5.13 117.12 115.25 2aq6 n MET 146 Ca 0.00 0.54 0.00 0.00 -0.27 0.00 0.00 57.70 57.97 2aq6 n MET 146 Cb 0.00 -2.04 0.00 0.00 2.15 0.00 0.00 33.22 33.33 2aq6 n MET 146 CO 0.00 0.00 0.00 2.89 -0.73 0.00 0.00 175.97 178.13