#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2aq6 h PHE 6 N 0.00 0.39 0.00 1.45 3.04 -2.05 0.20 116.94 119.97 2aq6 h PHE 6 Ca 0.00 0.05 -0.01 0.00 3.98 0.00 0.00 57.97 61.99 2aq6 h PHE 6 Cb 0.00 -0.03 -0.00 0.00 2.56 0.00 0.00 35.95 38.48 2aq6 h PHE 6 CO 0.00 -0.22 -0.05 -0.44 -2.02 0.00 0.00 178.31 175.58 2aq6 h ASP 7 N 0.21 0.00 -0.19 0.41 5.19 -2.00 -1.08 116.42 118.96 2aq6 h ASP 7 Ca 0.57 0.00 -0.08 0.00 -0.62 0.00 0.00 57.03 56.91 2aq6 h ASP 7 Cb 1.18 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.67 2aq6 h ASP 7 CO -0.66 0.05 -0.12 0.44 -3.12 0.00 0.00 179.24 175.83 2aq6 h ASP 8 N 0.00 0.55 -0.49 6.45 3.45 -1.03 0.16 116.42 125.51 2aq6 h ASP 8 Ca -0.00 -0.15 -0.09 0.00 0.43 0.00 0.00 57.03 57.22 2aq6 h ASP 8 Cb 0.11 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.71 2aq6 h ASP 8 CO 0.01 0.70 -0.05 0.11 -1.57 0.00 0.00 179.24 178.44 2aq6 h LYS 9 N 0.52 0.91 -0.39 3.56 1.57 -1.17 -1.06 116.57 120.52 2aq6 h LYS 9 Ca 0.09 -0.32 -0.09 0.00 -1.87 0.00 0.00 60.65 58.47 2aq6 h LYS 9 Cb 0.51 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.74 2aq6 h LYS 9 CO 0.03 0.96 -0.10 -0.07 -0.57 0.00 0.00 179.45 179.71 2aq6 h LEU 10 N 0.77 0.76 -1.19 2.94 3.38 -1.17 -2.82 115.31 117.98 2aq6 h LEU 10 Ca 0.13 -0.37 -0.07 0.00 0.09 0.00 0.00 57.88 57.66 2aq6 h LEU 10 Cb 0.59 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.12 2aq6 h LEU 10 CO 0.04 0.95 -0.24 -0.07 0.09 0.00 0.00 178.44 179.21 2aq6 h LEU 11 N 0.57 0.25 -1.27 1.67 3.38 -0.88 -2.25 115.31 116.78 2aq6 h LEU 11 Ca 0.10 -0.07 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 2aq6 h LEU 11 Cb 0.62 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2aq6 h LEU 11 CO 0.04 0.51 -0.08 0.00 0.09 0.00 0.00 178.44 179.00 2aq6 h ALA 12 N 1.52 1.40 -0.26 1.53 0.00 -1.03 0.10 119.26 122.52 2aq6 h ALA 12 Ca 0.04 -0.22 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 2aq6 h ALA 12 Cb 0.56 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 2aq6 h ALA 12 CO 0.04 0.42 0.03 0.28 0.00 0.00 0.00 179.25 180.02 2aq6 h VAL 13 N 0.38 1.24 -0.60 0.00 2.07 -1.17 -1.75 116.25 116.41 2aq6 h VAL 13 Ca 0.08 -0.81 -0.06 0.00 0.82 0.00 0.00 66.70 66.73 2aq6 h VAL 13 Cb 0.38 1.26 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 2aq6 h VAL 13 CO 0.02 0.26 0.15 0.40 0.02 0.00 0.00 177.57 178.41 2aq6 h ILE 14 N 0.25 1.25 0.00 4.57 2.04 -1.13 -2.71 117.51 121.77 2aq6 h ILE 14 Ca 0.08 -0.91 -0.05 0.00 1.00 0.00 0.00 64.86 64.99 2aq6 h ILE 14 Cb 0.35 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 37.11 2aq6 h ILE 14 CO 0.01 0.34 -0.22 -1.28 0.00 0.00 0.00 178.15 177.00 2aq6 h SER 15 N 0.87 0.00 -0.32 1.72 0.87 -0.69 -3.03 113.55 112.97 2aq6 h SER 15 Ca 0.19 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.75 2aq6 h SER 15 Cb 0.35 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.31 2aq6 h SER 15 CO 0.00 0.22 0.00 0.61 -0.53 0.00 0.00 176.83 177.13 2aq6 n GLY 16 N -0.74 1.42 3.27 5.77 0.00 -0.67 -4.92 105.19 109.33 2aq6 n GLY 16 Ca -0.02 -0.41 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.69 0.31 0.00 1.61 3.04 -1.15 -4.93 114.94 113.13 2aq6 s ASN 17 Ca 0.25 -1.37 0.00 0.00 0.04 0.00 0.00 52.86 51.78 2aq6 s ASN 17 Cb 0.16 0.44 0.00 0.00 -1.54 0.00 0.00 41.25 40.31 2aq6 s ASN 17 CO 0.12 -0.92 0.58 -1.54 -3.04 0.00 0.00 177.10 172.30 2aq6 n SER 18 N -0.46 0.34 -3.97 -4.21 3.41 -1.26 -4.84 113.62 102.62 2aq6 n SER 18 Ca 0.02 -1.17 -0.14 0.00 -0.26 0.00 0.00 58.87 57.32 2aq6 n SER 18 Cb 0.65 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.46 2aq6 n SER 18 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 2aq6 s ILE 19 N -0.17 0.35 0.27 -1.33 2.07 -1.26 -1.27 121.20 119.86 2aq6 s ILE 19 Ca 0.00 -0.43 -0.18 0.00 -1.41 0.00 0.00 60.65 58.63 2aq6 s ILE 19 Cb 0.00 -0.35 0.01 0.00 0.13 0.00 0.00 42.46 42.25 2aq6 s ILE 19 CO 0.00 -0.06 0.63 -0.83 -1.91 0.00 0.00 174.94 172.77 2aq6 s GLY 20 N -0.53 0.14 -0.35 1.50 0.00 -0.56 -4.62 107.32 102.90 2aq6 s GLY 20 Ca -0.02 -0.51 -0.14 0.00 0.00 0.00 0.00 44.72 44.05 2aq6 s GLY 20 CO -0.00 -0.29 0.28 0.14 0.00 0.00 0.00 173.10 173.23 2aq6 s VAL 21 N -3.95 5.25 -0.10 1.40 1.01 -0.17 -0.59 120.40 123.24 2aq6 s VAL 21 Ca 0.15 -0.19 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 2aq6 s VAL 21 Cb -0.04 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.53 2aq6 s VAL 21 CO 0.07 -0.06 0.55 -0.22 0.00 0.00 0.00 175.10 175.44 2aq6 s LEU 22 N 1.80 4.29 -0.25 3.92 2.96 0.16 -1.04 118.68 130.51 2aq6 s LEU 22 Ca 0.08 0.93 -0.04 0.00 -0.22 0.00 0.00 54.13 54.88 2aq6 s LEU 22 Cb -0.17 -2.82 0.01 0.00 0.50 0.00 0.00 46.19 43.71 2aq6 s LEU 22 CO 0.11 -0.04 -0.01 0.00 -1.32 0.00 0.00 176.35 175.08 2aq6 s ALA 23 N 0.71 2.84 0.40 5.97 0.00 0.10 -1.55 121.76 130.24 2aq6 s ALA 23 Ca 0.30 -1.38 0.08 0.00 0.00 0.00 0.00 51.96 50.95 2aq6 s ALA 23 Cb -0.16 -1.83 -0.04 0.00 0.00 0.00 0.00 23.12 21.09 2aq6 s ALA 23 CO 0.13 -0.75 0.23 0.95 0.00 0.00 0.00 175.76 176.31 2aq6 s THR 24 N 1.42 2.48 -0.19 0.00 -4.23 -0.67 -2.71 115.64 111.73 2aq6 s THR 24 Ca 0.02 -1.61 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 2aq6 s THR 24 Cb -0.16 -3.00 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 2aq6 s THR 24 CO -0.02 -0.02 -0.02 -0.63 -0.54 0.00 0.00 174.62 173.38 2aq6 s ILE 25 N -2.55 3.76 0.96 2.99 1.01 -1.26 -0.52 121.20 125.59 2aq6 s ILE 25 Ca 0.42 -0.38 -0.13 0.00 0.00 0.00 0.00 60.65 60.57 2aq6 s ILE 25 Cb 0.01 -2.69 0.17 0.00 0.01 0.00 0.00 42.46 39.96 2aq6 s ILE 25 CO 0.24 0.44 1.12 -0.54 0.00 0.00 0.00 174.94 176.20 2aq6 s LYS 26 N 0.95 0.73 0.25 2.79 1.02 0.26 -4.74 119.74 121.00 2aq6 s LYS 26 Ca 0.01 0.35 -0.03 0.00 0.02 0.00 0.00 55.97 56.31 2aq6 s LYS 26 Cb -0.14 -1.79 0.46 0.00 -0.52 0.00 0.00 37.83 35.84 2aq6 s LYS 26 CO 0.01 -2.49 1.77 1.12 -0.92 0.00 0.00 175.35 174.84 2aq6 h HIS 27 N -1.71 0.74 -0.04 3.18 2.07 -1.95 -0.55 115.15 116.88 2aq6 h HIS 27 Ca -0.52 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.03 2aq6 h HIS 27 Cb 1.33 -0.21 0.00 0.00 2.57 0.00 0.00 27.41 31.10 2aq6 h HIS 27 CO 0.19 0.22 0.00 -0.40 -3.07 0.00 0.00 177.93 174.87 2aq6 n ASP 28 N -4.85 0.35 0.00 3.10 5.68 -1.26 -4.90 116.55 114.67 2aq6 n ASP 28 Ca 0.15 -1.55 0.00 0.00 -0.50 0.00 0.00 54.79 52.88 2aq6 n ASP 28 Cb 0.36 -0.03 0.00 0.00 -1.14 0.00 0.00 41.12 40.32 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 0.83 1.63 3.80 6.12 0.00 -0.22 -5.05 105.19 112.29 2aq6 n GLY 29 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.80 2aq6 n GLY 29 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2aq6 s ARG 30 N -0.63 4.08 0.44 1.61 3.52 -1.26 -4.66 118.95 122.06 2aq6 s ARG 30 Ca 0.00 1.36 -0.22 0.00 -0.13 0.00 0.00 55.73 56.74 2aq6 s ARG 30 Cb 0.00 -2.33 -0.09 0.00 -1.56 0.00 0.00 34.95 30.97 2aq6 s ARG 30 CO 0.00 -0.19 1.03 -2.14 -0.81 0.00 0.00 175.30 173.19 2aq6 s PRO 31 N -2.86 4.00 -0.09 5.12 0.02 -1.26 -0.57 135.00 139.36 2aq6 s PRO 31 Ca 0.61 1.38 0.04 0.00 0.02 0.00 0.00 61.00 63.06 2aq6 s PRO 31 Cb -0.17 -2.28 -0.01 0.00 0.02 0.00 0.00 34.50 32.06 2aq6 s PRO 31 CO 0.21 -0.26 -0.21 -1.14 -0.33 0.00 0.00 177.00 175.28 2aq6 s GLN 32 N -2.93 2.91 -0.11 5.54 0.74 0.32 -4.83 119.66 121.31 2aq6 s GLN 32 Ca 0.63 -0.83 -0.01 0.00 0.05 0.00 0.00 55.36 55.21 2aq6 s GLN 32 Cb -0.17 -2.34 -0.03 0.00 1.10 0.00 0.00 33.01 31.57 2aq6 s GLN 32 CO 0.22 0.30 -0.08 -0.51 -0.55 0.00 0.00 175.29 174.67 2aq6 s LEU 33 N 0.08 3.06 0.02 3.68 1.43 -1.26 -1.67 118.68 124.01 2aq6 s LEU 33 Ca -0.09 -0.13 -0.01 0.00 -1.03 0.00 0.00 54.13 52.87 2aq6 s LEU 33 Cb -0.15 -1.69 -0.02 0.00 0.03 0.00 0.00 46.19 44.36 2aq6 s LEU 33 CO 0.06 0.26 -0.01 -0.44 0.23 0.00 0.00 176.35 176.44 2aq6 s SER 34 N -0.19 0.22 -0.08 2.29 0.01 -0.59 -4.99 113.70 110.37 2aq6 s SER 34 Ca 0.02 -0.48 -0.07 0.00 1.31 0.00 0.00 55.95 56.73 2aq6 s SER 34 Cb -0.13 0.11 -0.04 0.00 0.21 0.00 0.00 66.02 66.17 2aq6 s SER 34 CO 0.03 -0.31 0.19 0.54 0.41 0.00 0.00 173.24 174.09 2aq6 s ASN 35 N -1.48 6.44 0.05 2.44 4.22 -1.26 0.36 114.94 125.70 2aq6 s ASN 35 Ca -0.15 0.52 -0.01 0.00 -2.14 0.00 0.00 52.86 51.08 2aq6 s ASN 35 Cb -0.09 -2.08 -0.04 0.00 1.28 0.00 0.00 41.25 40.32 2aq6 s ASN 35 CO -0.01 0.37 -0.03 0.68 -2.04 0.00 0.00 177.10 176.06 2aq6 s VAL 36 N -1.10 0.22 -0.06 3.54 -7.23 0.24 -4.90 120.40 111.10 2aq6 s VAL 36 Ca 0.19 -1.63 -0.11 0.00 -1.81 0.00 0.00 61.98 58.61 2aq6 s VAL 36 Cb -0.13 -1.27 -0.05 0.00 0.56 0.00 0.00 36.38 35.49 2aq6 s VAL 36 CO 0.08 -0.89 0.28 -1.58 -0.31 0.00 0.00 175.10 172.69 2aq6 s GLN 37 N -3.41 3.74 0.18 4.82 0.74 -1.26 -1.50 119.66 122.97 2aq6 s GLN 37 Ca 0.03 0.16 -0.05 0.00 0.05 0.00 0.00 55.36 55.54 2aq6 s GLN 37 Cb 0.04 -3.22 -0.03 0.00 1.10 0.00 0.00 33.01 30.90 2aq6 s GLN 37 CO -0.08 0.70 0.22 1.52 -0.55 0.00 0.00 175.29 177.10 2aq6 s TYR 38 N -0.94 0.75 -0.06 1.67 1.13 -0.40 -4.47 117.35 115.03 2aq6 s TYR 38 Ca 0.19 -1.06 0.04 0.00 -1.41 0.00 0.00 57.07 54.83 2aq6 s TYR 38 Cb -0.14 -0.27 0.00 0.00 -1.10 0.00 0.00 41.96 40.45 2aq6 s TYR 38 CO 0.09 -0.70 -0.16 -1.58 -2.51 0.00 0.00 175.55 170.68 2aq6 s HIS 39 N -4.06 1.71 -0.22 -3.49 2.46 -0.60 -4.65 115.29 106.43 2aq6 s HIS 39 Ca 0.27 -0.56 -0.09 0.00 0.47 0.00 0.00 55.06 55.15 2aq6 s HIS 39 Cb 0.05 -1.18 -0.04 0.00 -0.13 0.00 0.00 32.58 31.28 2aq6 s HIS 39 CO 0.06 -0.22 0.10 0.12 -2.47 0.00 0.00 174.74 172.33 2aq6 s PHE 40 N 0.26 3.23 -0.42 3.88 2.19 -1.26 -1.01 117.98 124.84 2aq6 s PHE 40 Ca -0.09 0.01 -0.14 0.00 0.33 0.00 0.00 56.93 57.04 2aq6 s PHE 40 Cb -0.13 -2.20 0.04 0.00 -1.31 0.00 0.00 43.02 39.42 2aq6 s PHE 40 CO 0.03 -0.02 0.31 0.34 1.83 0.00 0.00 175.22 177.72 2aq6 s ASP 41 N 0.98 6.05 0.36 6.13 3.68 0.50 -4.95 116.67 129.42 2aq6 s ASP 41 Ca 0.05 -1.07 0.13 0.00 2.13 0.00 0.00 52.55 53.79 2aq6 s ASP 41 Cb -0.14 -2.14 0.70 0.00 -1.45 0.00 0.00 42.92 39.89 2aq6 s ASP 41 CO 0.03 -0.51 1.80 1.55 0.13 0.00 0.00 175.17 178.18 2aq6 h PRO 42 N 8.63 0.00 0.14 4.34 0.13 -1.96 0.15 132.00 143.43 2aq6 h PRO 42 Ca -0.27 0.00 0.01 0.00 -0.87 0.00 0.00 66.00 64.87 2aq6 h PRO 42 Cb 1.11 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.22 2aq6 h PRO 42 CO 0.77 0.39 -0.22 -0.09 -0.23 0.00 0.00 178.00 178.62 2aq6 h ARG 43 N 0.00 -0.41 -0.32 0.86 2.43 -1.97 -3.16 114.38 111.81 2aq6 h ARG 43 Ca -0.00 0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.19 2aq6 h ARG 43 Cb 0.72 0.09 0.00 0.00 -0.42 0.00 0.00 29.97 30.36 2aq6 h ARG 43 CO 0.05 -0.27 0.00 1.63 -1.51 0.00 0.00 179.97 179.87 2aq6 n LYS 44 N -5.34 2.23 -3.46 0.20 5.02 -1.22 -5.00 118.16 110.59 2aq6 n LYS 44 Ca -0.07 -1.97 -0.21 0.00 -2.02 0.00 0.00 58.31 54.04 2aq6 n LYS 44 Cb 0.26 -1.35 0.04 0.00 -0.02 0.00 0.00 35.03 33.95 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 0.92 -4.28 -4.29 -0.35 4.77 0.43 -4.80 117.00 109.40 2aq6 n LEU 45 Ca 0.14 -0.76 -0.21 0.00 -0.03 0.00 0.00 56.01 55.14 2aq6 n LEU 45 Cb 0.46 -2.73 -0.12 0.00 -2.33 0.00 0.00 43.42 38.70 2aq6 n LEU 45 CO 0.11 0.08 -0.48 -0.76 -1.33 0.00 0.00 177.39 175.01 2aq6 s LEU 46 N -5.62 2.39 -0.17 2.23 1.43 -0.68 -2.06 118.68 116.20 2aq6 s LEU 46 Ca 0.36 -0.79 0.01 0.00 -1.03 0.00 0.00 54.13 52.68 2aq6 s LEU 46 Cb -0.10 -0.75 0.02 0.00 0.03 0.00 0.00 46.19 45.39 2aq6 s LEU 46 CO 0.81 -0.04 -0.20 -0.63 0.23 0.00 0.00 176.35 176.52 2aq6 s ILE 47 N -1.81 2.02 -0.09 -0.59 1.01 -0.55 -0.37 121.20 120.82 2aq6 s ILE 47 Ca 0.11 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.85 2aq6 s ILE 47 Cb -0.07 -1.82 -0.02 0.00 0.01 0.00 0.00 42.46 40.56 2aq6 s ILE 47 CO 0.05 0.53 -0.14 -1.10 0.00 0.00 0.00 174.94 174.29 2aq6 s GLN 48 N 1.22 2.97 0.03 2.79 -0.21 -0.18 -0.29 119.66 125.99 2aq6 s GLN 48 Ca 0.03 -0.69 0.00 0.00 0.02 0.00 0.00 55.36 54.72 2aq6 s GLN 48 Cb -0.13 -2.52 -0.02 0.00 1.00 0.00 0.00 33.01 31.34 2aq6 s GLN 48 CO -0.11 0.41 -0.04 0.14 -2.12 0.00 0.00 175.29 173.57 2aq6 s VAL 49 N -0.16 0.17 -0.25 1.09 -7.23 -0.11 -1.56 120.40 112.34 2aq6 s VAL 49 Ca -0.00 -1.03 -0.10 0.00 -1.81 0.00 0.00 61.98 59.04 2aq6 s VAL 49 Cb -0.13 -0.43 -0.05 0.00 0.56 0.00 0.00 36.38 36.33 2aq6 s VAL 49 CO 0.03 -0.54 0.14 -0.55 -0.31 0.00 0.00 175.10 173.87 2aq6 s SER 50 N -1.63 5.85 0.21 4.85 0.15 -1.26 -0.26 113.70 121.61 2aq6 s SER 50 Ca -0.13 0.01 0.04 0.00 0.70 0.00 0.00 55.95 56.57 2aq6 s SER 50 Cb -0.08 -2.06 -0.05 0.00 -1.71 0.00 0.00 66.02 62.12 2aq6 s SER 50 CO -0.02 0.02 -0.04 0.27 1.20 0.00 0.00 173.24 174.68 2aq6 s ILE 51 N 1.30 1.13 -0.13 6.45 -4.36 -0.29 -4.96 121.20 120.34 2aq6 s ILE 51 Ca 0.07 -2.05 -0.04 0.00 -0.26 0.00 0.00 60.65 58.37 2aq6 s ILE 51 Cb -0.14 -2.22 -0.03 0.00 1.25 0.00 0.00 42.46 41.31 2aq6 s ILE 51 CO 0.06 -0.43 -0.00 0.00 0.24 0.00 0.00 174.94 174.80 2aq6 s ALA 52 N -3.35 3.21 0.29 2.27 0.00 -1.26 0.49 121.76 123.40 2aq6 s ALA 52 Ca 0.25 -0.80 0.04 0.00 0.00 0.00 0.00 51.96 51.46 2aq6 s ALA 52 Cb 0.05 -1.59 0.71 0.00 0.00 0.00 0.00 23.12 22.28 2aq6 s ALA 52 CO 0.07 0.37 1.74 1.49 0.00 0.00 0.00 175.76 179.43 2aq6 h GLU 53 N 6.02 0.56 0.00 0.00 4.57 -1.51 -1.70 114.58 122.52 2aq6 h GLU 53 Ca -0.41 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2aq6 h GLU 53 Cb 1.19 -0.13 0.00 0.00 -0.16 0.00 0.00 28.75 29.65 2aq6 h GLU 53 CO 0.61 0.37 0.00 -1.00 -1.18 0.00 0.00 179.01 177.81 2aq6 h PRO 54 N 0.58 0.00 -7.01 0.92 0.13 -1.86 -3.39 132.00 121.38 2aq6 h PRO 54 Ca 0.55 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 65.16 2aq6 h PRO 54 Cb 0.95 0.00 0.09 0.00 0.13 0.00 0.00 31.00 32.16 2aq6 h PRO 54 CO -0.44 0.00 0.54 1.03 -0.23 0.00 0.00 178.00 178.90 2aq6 s ARG 55 N -3.45 3.61 0.19 0.86 1.81 -0.64 -4.88 118.95 116.46 2aq6 s ARG 55 Ca 0.03 1.95 -0.11 0.00 -1.72 0.00 0.00 55.73 55.88 2aq6 s ARG 55 Cb 0.09 -2.41 0.17 0.00 -0.45 0.00 0.00 34.95 32.35 2aq6 s ARG 55 CO 0.43 -0.72 1.81 0.00 -0.68 0.00 0.00 175.30 176.13 2aq6 h ALA 56 N 1.97 0.77 -0.56 2.13 0.00 -1.89 -1.48 119.26 120.21 2aq6 h ALA 56 Ca -0.50 0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.46 2aq6 h ALA 56 Cb 1.26 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 18.90 2aq6 h ALA 56 CO 0.60 0.02 0.37 1.57 0.00 0.00 0.00 179.25 181.81 2aq6 h LYS 57 N 0.64 0.60 -0.21 0.00 2.10 -1.93 0.14 116.57 117.90 2aq6 h LYS 57 Ca 0.25 -0.04 -0.14 0.00 -2.00 0.00 0.00 60.65 58.73 2aq6 h LYS 57 Cb 0.11 -0.14 0.00 0.00 -0.90 0.00 0.00 32.23 31.31 2aq6 h LYS 57 CO -0.15 0.40 -0.41 1.15 -2.00 0.00 0.00 179.45 178.44 2aq6 h THR 58 N 0.62 1.32 -0.37 0.07 2.02 -1.58 -2.19 112.91 112.79 2aq6 h THR 58 Ca 0.23 -1.64 -0.02 0.00 0.77 0.00 0.00 66.41 65.75 2aq6 h THR 58 Cb 0.14 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.36 2aq6 h THR 58 CO -0.06 0.51 0.13 0.03 0.37 0.00 0.00 175.52 176.50 2aq6 h ARG 59 N 0.35 0.53 -0.38 6.66 3.08 -0.41 -1.18 114.38 123.04 2aq6 h ARG 59 Ca 0.01 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 59.96 2aq6 h ARG 59 Cb 1.02 -0.10 -0.02 0.00 0.08 0.00 0.00 29.97 30.95 2aq6 h ARG 59 CO 0.09 0.46 0.14 -0.91 -1.07 0.00 0.00 179.97 178.69 2aq6 h ASN 60 N 0.53 0.53 0.50 7.04 2.35 -0.57 -2.79 115.58 123.17 2aq6 h ASN 60 Ca 0.13 -0.18 -0.06 0.00 -0.55 0.00 0.00 56.30 55.64 2aq6 h ASN 60 Cb 0.15 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 2aq6 h ASN 60 CO -0.01 0.57 -0.28 -0.07 -1.65 0.00 0.00 177.43 175.99 2aq6 h LEU 61 N 0.47 0.00 -0.77 1.61 3.38 -0.75 0.25 115.31 119.49 2aq6 h LEU 61 Ca 0.13 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2aq6 h LEU 61 Cb 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 2aq6 h LEU 61 CO -0.01 0.28 -0.42 0.03 0.09 0.00 0.00 178.44 178.42 2aq6 h ARG 62 N 0.00 0.42 0.16 1.13 2.47 -0.98 -2.57 114.38 115.01 2aq6 h ARG 62 Ca -0.00 -0.21 -0.34 0.00 -1.26 0.00 0.00 59.98 58.16 2aq6 h ARG 62 Cb 0.61 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 28.94 2aq6 h ARG 62 CO 0.04 0.77 -1.72 -0.09 0.56 0.00 0.00 179.97 179.52 2aq6 h ARG 63 N 0.35 0.35 -2.63 0.04 2.43 -1.24 -3.44 114.38 110.23 2aq6 h ARG 63 Ca 0.03 -0.60 -0.47 0.00 -0.81 0.00 0.00 59.98 58.14 2aq6 h ARG 63 Cb 0.88 0.22 -0.38 0.00 -0.42 0.00 0.00 29.97 30.27 2aq6 h ARG 63 CO 0.07 1.25 -0.74 0.34 -1.51 0.00 0.00 179.97 179.39 2aq6 s ASP 64 N -7.19 2.90 0.00 -3.80 3.68 0.04 -5.04 116.67 107.27 2aq6 s ASP 64 Ca -0.15 -1.07 0.14 0.00 2.13 0.00 0.00 52.55 53.61 2aq6 s ASP 64 Cb 0.06 -0.10 0.75 0.00 -1.45 0.00 0.00 42.92 42.18 2aq6 s ASP 64 CO 0.85 -0.42 1.30 -0.81 0.13 0.00 0.00 175.17 176.23 2aq6 n PRO 65 N 5.27 0.31 -2.06 4.34 -0.04 -0.97 -3.93 135.00 137.91 2aq6 n PRO 65 Ca -0.05 0.08 -0.42 0.00 -0.04 0.00 0.00 63.50 63.07 2aq6 n PRO 65 Cb 0.44 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.37 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 -2.30 4.26 0.04 0.54 0.52 -1.26 -0.01 118.95 120.74 2aq6 s ARG 66 Ca 0.17 2.19 -0.02 0.00 -0.52 0.00 0.00 55.73 57.55 2aq6 s ARG 66 Cb 0.09 -3.35 -0.02 0.00 0.52 0.00 0.00 34.95 32.19 2aq6 s ARG 66 CO 0.18 -0.57 0.01 0.00 0.02 0.00 0.00 175.30 174.95 2aq6 s ALA 67 N 1.66 0.19 0.02 2.13 0.00 -0.31 -4.48 121.76 120.98 2aq6 s ALA 67 Ca 0.68 -0.79 0.01 0.00 0.00 0.00 0.00 51.96 51.86 2aq6 s ALA 67 Cb -0.38 0.22 -0.02 0.00 0.00 0.00 0.00 23.12 22.94 2aq6 s ALA 67 CO 0.30 -0.28 -0.04 -1.12 0.00 0.00 0.00 175.76 174.62 2aq6 s SER 68 N -2.17 0.43 -0.05 0.00 0.01 -1.10 -1.40 113.70 109.42 2aq6 s SER 68 Ca -0.05 -0.40 -0.01 0.00 1.31 0.00 0.00 55.95 56.81 2aq6 s SER 68 Cb -0.01 0.05 0.03 0.00 0.21 0.00 0.00 66.02 66.30 2aq6 s SER 68 CO -0.05 -0.19 0.01 -0.63 0.41 0.00 0.00 173.24 172.79 2aq6 s ILE 69 N -1.08 0.20 -0.16 1.44 1.01 -0.49 0.01 121.20 122.14 2aq6 s ILE 69 Ca -0.10 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 2aq6 s ILE 69 Cb -0.08 -0.36 -0.05 0.00 0.01 0.00 0.00 42.46 41.98 2aq6 s ILE 69 CO -0.00 0.20 0.20 -0.22 0.00 0.00 0.00 174.94 175.13 2aq6 s LEU 70 N 1.69 4.27 -0.06 2.97 0.20 -0.20 -1.01 118.68 126.54 2aq6 s LEU 70 Ca -0.00 0.41 0.04 0.00 0.69 0.00 0.00 54.13 55.27 2aq6 s LEU 70 Cb -0.13 -2.21 -0.00 0.00 -0.43 0.00 0.00 46.19 43.42 2aq6 s LEU 70 CO -0.03 0.20 -0.18 -0.69 -0.29 0.00 0.00 176.35 175.36 2aq6 s VAL 71 N 0.06 1.54 0.33 1.68 1.01 0.54 -0.99 120.40 124.56 2aq6 s VAL 71 Ca 0.13 -0.76 -0.20 0.00 0.00 0.00 0.00 61.98 61.15 2aq6 s VAL 71 Cb -0.12 -1.34 -0.10 0.00 0.00 0.00 0.00 36.38 34.82 2aq6 s VAL 71 CO 0.02 0.44 0.84 -1.81 0.00 0.00 0.00 175.10 174.59 2aq6 s ASP 72 N 0.19 7.03 0.92 3.32 1.01 -1.26 -1.42 116.67 126.46 2aq6 s ASP 72 Ca -0.08 1.56 -0.14 0.00 0.71 0.00 0.00 52.55 54.59 2aq6 s ASP 72 Cb -0.14 -2.48 0.18 0.00 1.01 0.00 0.00 42.92 41.49 2aq6 s ASP 72 CO 0.04 -0.15 1.28 0.00 0.21 0.00 0.00 175.17 176.54 2aq6 s ALA 73 N -1.83 2.42 -1.47 5.23 0.00 0.06 -4.85 121.76 121.31 2aq6 s ALA 73 Ca 0.52 -1.19 0.10 0.00 0.00 0.00 0.00 51.96 51.40 2aq6 s ALA 73 Cb -0.14 -2.73 0.51 0.00 0.00 0.00 0.00 23.12 20.77 2aq6 s ALA 73 CO 0.19 -2.26 1.19 -0.40 0.00 0.00 0.00 175.76 174.48 2aq6 n ASP 74 N -3.63 0.00 -0.16 0.00 5.68 -1.26 -1.53 116.55 115.65 2aq6 n ASP 74 Ca 0.14 0.11 0.12 0.00 -0.50 0.00 0.00 54.79 54.66 2aq6 n ASP 74 Cb 0.60 -0.26 0.18 0.00 -1.14 0.00 0.00 41.12 40.49 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 -1.26 1.02 -0.07 -1.12 5.68 -1.26 -4.96 116.55 114.58 2aq6 n ASP 75 Ca 0.05 -0.81 -0.01 0.00 -0.50 0.00 0.00 54.79 53.52 2aq6 n ASP 75 Cb 0.08 0.39 -0.00 0.00 -1.14 0.00 0.00 41.12 40.45 2aq6 n ASP 75 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2aq6 n GLY 76 N 1.44 0.42 1.08 6.12 0.00 -0.58 -4.78 105.19 108.88 2aq6 n GLY 76 Ca 0.08 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2aq6 n GLY 76 CO 0.00 0.00 0.00 1.87 0.00 0.00 0.00 173.32 175.19 2aq6 n TRP 77 N -2.70 0.00 -1.91 1.61 -0.00 -1.26 -4.94 117.44 108.23 2aq6 n TRP 77 Ca -0.01 0.00 -0.34 0.00 -0.00 0.00 0.00 57.50 57.15 2aq6 n TRP 77 Cb 0.16 0.20 0.03 0.00 -0.00 0.00 0.00 31.31 31.71 2aq6 n TRP 77 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 2aq6 s SER 78 N -4.49 5.25 0.27 5.87 0.01 -1.26 -4.89 113.70 114.46 2aq6 s SER 78 Ca 0.00 2.10 -0.17 0.00 1.31 0.00 0.00 55.95 59.19 2aq6 s SER 78 Cb 0.00 -2.57 0.01 0.00 0.21 0.00 0.00 66.02 63.68 2aq6 s SER 78 CO 0.00 -1.54 0.63 -0.72 0.41 0.00 0.00 173.24 172.02 2aq6 s TYR 79 N -2.09 0.07 0.03 2.43 1.13 -0.42 -0.76 117.35 117.74 2aq6 s TYR 79 Ca 0.70 -0.50 0.01 0.00 -1.41 0.00 0.00 57.07 55.87 2aq6 s TYR 79 Cb -0.23 0.50 -0.02 0.00 -1.10 0.00 0.00 41.96 41.11 2aq6 s TYR 79 CO 0.36 -1.16 -0.06 0.00 -2.51 0.00 0.00 175.55 172.19 2aq6 s ALA 80 N -3.85 0.37 -0.08 9.51 0.00 -0.50 -1.69 121.76 125.52 2aq6 s ALA 80 Ca 0.16 -0.64 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2aq6 s ALA 80 Cb -0.04 0.07 0.01 0.00 0.00 0.00 0.00 23.12 23.17 2aq6 s ALA 80 CO 0.08 -0.06 -0.12 0.08 0.00 0.00 0.00 175.76 175.74 2aq6 s VAL 81 N -1.29 1.19 -0.17 0.00 1.01 0.76 -0.34 120.40 121.56 2aq6 s VAL 81 Ca -0.11 -0.49 -0.08 0.00 0.00 0.00 0.00 61.98 61.30 2aq6 s VAL 81 Cb -0.09 -1.10 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2aq6 s VAL 81 CO -0.00 0.37 0.10 0.00 0.00 0.00 0.00 175.10 175.57 2aq6 s ALA 82 N 0.86 3.58 -0.06 5.51 0.00 -0.18 -1.80 121.76 129.67 2aq6 s ALA 82 Ca -0.11 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.20 2aq6 s ALA 82 Cb -0.15 -2.00 -0.01 0.00 0.00 0.00 0.00 23.12 20.96 2aq6 s ALA 82 CO 0.01 0.26 -0.22 -2.00 0.00 0.00 0.00 175.76 173.81 2aq6 s GLU 83 N 0.08 2.60 0.04 0.00 2.12 0.62 -1.40 118.70 122.76 2aq6 s GLU 83 Ca 0.07 -0.85 -0.08 0.00 0.36 0.00 0.00 54.97 54.47 2aq6 s GLU 83 Cb -0.12 -2.23 0.03 0.00 0.26 0.00 0.00 34.13 32.07 2aq6 s GLU 83 CO -0.00 0.41 0.37 0.41 -0.54 0.00 0.00 175.26 175.91 2aq6 n GLY 84 N 2.87 0.92 3.17 -1.50 0.00 -0.49 -1.27 105.19 108.89 2aq6 n GLY 84 Ca -0.17 -0.97 -0.34 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.33 2.69 0.53 2.61 2.01 -1.26 -1.16 115.64 118.73 2aq6 s THR 85 Ca 0.08 -1.17 -0.22 0.00 0.31 0.00 0.00 61.69 60.70 2aq6 s THR 85 Cb -0.01 -2.40 -0.05 0.00 0.01 0.00 0.00 72.50 70.04 2aq6 s THR 85 CO 0.01 0.15 1.35 0.00 -0.69 0.00 0.00 174.62 175.45 2aq6 s ALA 86 N 1.27 2.88 -0.18 7.40 0.00 0.99 -4.44 121.76 129.69 2aq6 s ALA 86 Ca -0.02 1.31 0.01 0.00 0.00 0.00 0.00 51.96 53.26 2aq6 s ALA 86 Cb -0.17 -3.55 0.03 0.00 0.00 0.00 0.00 23.12 19.42 2aq6 s ALA 86 CO -0.05 -1.29 -0.14 -0.65 0.00 0.00 0.00 175.76 173.63 2aq6 s GLN 87 N -2.83 2.39 -0.03 0.00 -0.21 0.32 -4.86 119.66 114.44 2aq6 s GLN 87 Ca 0.70 -0.76 0.03 0.00 0.02 0.00 0.00 55.36 55.34 2aq6 s GLN 87 Cb -0.40 -2.37 -0.03 0.00 1.00 0.00 0.00 33.01 31.21 2aq6 s GLN 87 CO 0.47 -0.31 -0.08 -0.51 -2.12 0.00 0.00 175.29 172.74 2aq6 s LEU 88 N 1.38 3.09 0.67 2.90 1.02 -1.26 -0.76 118.68 125.72 2aq6 s LEU 88 Ca 0.02 -0.12 -0.09 0.00 0.02 0.00 0.00 54.13 53.97 2aq6 s LEU 88 Cb -0.14 -1.72 0.03 0.00 0.02 0.00 0.00 46.19 44.37 2aq6 s LEU 88 CO -0.10 0.32 1.02 0.42 0.02 0.00 0.00 176.35 178.03 2aq6 s THR 89 N -0.89 3.18 0.81 5.49 -4.23 -1.01 -5.00 115.64 113.99 2aq6 s THR 89 Ca 0.14 0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.66 2aq6 s THR 89 Cb -0.11 -3.33 0.08 0.00 1.34 0.00 0.00 72.50 70.48 2aq6 s THR 89 CO 0.04 -0.39 1.10 -2.16 -0.54 0.00 0.00 174.62 172.67 2aq6 s PRO 90 N -5.22 1.94 0.56 3.99 0.04 -1.26 -4.64 135.00 130.41 2aq6 s PRO 90 Ca 0.57 0.63 -0.19 0.00 0.04 0.00 0.00 61.00 62.05 2aq6 s PRO 90 Cb -0.11 -1.90 -0.05 0.00 0.04 0.00 0.00 34.50 32.48 2aq6 s PRO 90 CO 0.48 -1.71 1.15 -1.25 0.04 0.00 0.00 177.00 175.70 2aq6 s PRO 91 N -5.15 3.23 0.12 0.56 0.04 -1.26 -4.74 135.00 127.80 2aq6 s PRO 91 Ca 0.61 1.67 -0.34 0.00 0.04 0.00 0.00 61.00 62.98 2aq6 s PRO 91 Cb -0.15 -1.98 -0.14 0.00 0.04 0.00 0.00 34.50 32.27 2aq6 s PRO 91 CO 0.54 -0.96 1.60 0.00 0.04 0.00 0.00 177.00 178.23 2aq6 n ALA 92 N -1.41 1.13 -0.01 8.56 0.00 0.22 -4.86 120.51 124.15 2aq6 n ALA 92 Ca 0.12 0.43 -0.01 0.00 0.00 0.00 0.00 53.44 53.98 2aq6 n ALA 92 Cb 0.51 -2.35 -0.02 0.00 0.00 0.00 0.00 19.45 17.59 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 3.79 1.97 -2.92 0.00 0.00 -1.26 -4.59 120.51 117.50 2aq6 n ALA 93 Ca 0.18 -0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.37 2aq6 n ALA 93 Cb 0.28 0.15 -0.13 0.00 0.00 0.00 0.00 19.45 19.75 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 -2.08 0.01 0.64 0.00 0.00 -1.26 -5.02 121.76 114.05 2aq6 s ALA 94 Ca -0.01 -0.16 0.28 0.00 0.00 0.00 0.00 51.96 52.07 2aq6 s ALA 94 Cb 0.01 0.03 1.49 0.00 0.00 0.00 0.00 23.12 24.66 2aq6 s ALA 94 CO 0.10 -0.06 1.86 -1.00 0.00 0.00 0.00 175.76 176.66 2aq6 h PRO 95 N 5.63 0.00 -0.21 0.00 0.13 -1.96 -1.91 132.00 133.68 2aq6 h PRO 95 Ca -0.27 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.86 2aq6 h PRO 95 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2aq6 h PRO 95 CO 0.47 0.00 0.00 -0.40 -0.23 0.00 0.00 178.00 177.84 2aq6 n ASP 96 N -3.11 2.61 -4.77 1.44 5.75 -1.26 -4.83 116.55 112.39 2aq6 n ASP 96 Ca 0.01 -1.77 -0.29 0.00 -0.01 0.00 0.00 54.79 52.73 2aq6 n ASP 96 Cb 0.50 -0.13 0.13 0.00 -1.03 0.00 0.00 41.12 40.59 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 -1.08 3.61 0.47 -1.12 1.47 -0.72 -4.82 116.67 114.48 2aq6 s ASP 97 Ca 0.22 1.14 0.16 0.00 1.18 0.00 0.00 52.55 55.25 2aq6 s ASP 97 Cb 0.13 -1.79 1.14 0.00 -0.34 0.00 0.00 42.92 42.06 2aq6 s ASP 97 CO 0.18 -2.51 2.03 0.44 0.68 0.00 0.00 175.17 176.00 2aq6 h ASP 98 N -1.46 0.22 -0.38 2.11 3.32 -1.96 -1.98 116.42 116.29 2aq6 h ASP 98 Ca -0.50 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.49 2aq6 h ASP 98 Cb 1.31 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.80 2aq6 h ASP 98 CO 0.60 0.14 0.00 0.74 -1.72 0.00 0.00 179.24 179.00 2aq6 h THR 99 N 0.25 1.26 -0.50 0.35 2.02 -1.92 -1.11 112.91 113.27 2aq6 h THR 99 Ca 0.19 -0.99 -0.02 0.00 0.77 0.00 0.00 66.41 66.36 2aq6 h THR 99 Cb 0.43 1.16 -0.02 0.00 -1.74 0.00 0.00 68.15 67.97 2aq6 h THR 99 CO -0.04 0.33 0.23 0.58 0.37 0.00 0.00 175.52 177.00 2aq6 h VAL 100 N 0.48 1.20 -0.91 3.16 2.07 -1.69 -0.55 116.25 120.01 2aq6 h VAL 100 Ca 0.11 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 67.06 2aq6 h VAL 100 Cb 0.46 0.65 -0.04 0.00 -1.52 0.00 0.00 31.29 30.84 2aq6 h VAL 100 CO 0.02 0.22 0.56 -0.33 0.02 0.00 0.00 177.57 178.06 2aq6 h GLU 101 N 0.66 1.23 -0.47 1.57 4.39 -1.22 0.11 114.58 120.85 2aq6 h GLU 101 Ca 0.17 -0.10 -0.09 0.00 0.34 0.00 0.00 59.36 59.68 2aq6 h GLU 101 Cb 0.13 -0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 28.50 2aq6 h GLU 101 CO -0.02 0.85 -0.06 0.00 -1.16 0.00 0.00 179.01 178.62 2aq6 h ALA 102 N 1.37 1.02 0.00 3.43 0.00 -0.71 -1.73 119.26 122.64 2aq6 h ALA 102 Ca 0.33 -0.30 -0.10 0.00 0.00 0.00 0.00 54.91 54.85 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 0.60 -0.45 -0.07 0.00 0.00 0.00 179.25 179.26 2aq6 h LEU 103 N 0.75 0.00 -0.46 0.00 3.38 -0.17 -1.95 115.31 116.87 2aq6 h LEU 103 Ca 0.14 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.95 2aq6 h LEU 103 Cb 0.53 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.28 2aq6 h LEU 103 CO 0.03 0.45 -0.38 0.40 0.09 0.00 0.00 178.44 179.03 2aq6 h ILE 104 N 0.00 1.28 -0.71 1.22 2.04 -0.28 -0.95 117.51 120.10 2aq6 h ILE 104 Ca -0.00 -1.56 -0.07 0.00 1.00 0.00 0.00 64.86 64.23 2aq6 h ILE 104 Cb 0.93 1.40 -0.03 0.00 -0.74 0.00 0.00 36.82 38.39 2aq6 h ILE 104 CO 0.06 0.52 0.18 0.00 0.00 0.00 0.00 178.15 178.90 2aq6 h ALA 105 N 0.85 0.96 -0.31 1.87 0.00 -0.99 -1.98 119.26 119.66 2aq6 h ALA 105 Ca 0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.68 2aq6 h ALA 105 Cb 0.96 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 2aq6 h ALA 105 CO 0.09 0.67 0.05 1.25 0.00 0.00 0.00 179.25 181.31 2aq6 h LEU 106 N 1.08 0.49 -0.68 0.00 5.85 -1.14 -2.21 115.31 118.70 2aq6 h LEU 106 Ca 0.22 -0.26 0.06 0.00 0.84 0.00 0.00 57.88 58.74 2aq6 h LEU 106 Cb 0.37 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 2aq6 h LEU 106 CO 0.00 0.63 0.38 0.22 -0.34 0.00 0.00 178.44 179.33 2aq6 h TYR 107 N 0.33 0.70 -0.74 1.25 5.03 -0.95 0.46 116.97 123.05 2aq6 h TYR 107 Ca 0.09 0.02 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2aq6 h TYR 107 Cb 0.35 -0.21 -0.04 0.00 1.55 0.00 0.00 36.73 38.38 2aq6 h TYR 107 CO 0.02 0.34 0.45 0.00 -1.32 0.00 0.00 178.16 177.65 2aq6 h ARG 108 N 0.70 0.99 -0.06 1.82 3.08 -1.17 0.43 114.38 120.18 2aq6 h ARG 108 Ca 0.30 -0.08 -0.16 0.00 0.07 0.00 0.00 59.98 60.11 2aq6 h ARG 108 Cb 0.18 -0.21 -0.01 0.00 0.08 0.00 0.00 29.97 30.01 2aq6 h ARG 108 CO -0.18 0.69 -0.67 -0.91 -1.07 0.00 0.00 179.97 177.83 2aq6 h ASN 109 N 1.01 0.29 0.01 7.04 2.35 -0.53 -2.87 115.58 122.88 2aq6 h ASN 109 Ca 0.27 -0.18 -0.32 0.00 -0.55 0.00 0.00 56.30 55.51 2aq6 h ASN 109 Cb -0.05 -0.08 -0.05 0.00 0.05 0.00 0.00 38.32 38.19 2aq6 h ASN 109 CO -0.05 0.87 -1.77 -0.38 -1.65 0.00 0.00 177.43 174.45 2aq6 n ILE 110 N -3.82 1.56 -0.01 2.81 5.41 0.01 -4.77 119.36 120.54 2aq6 n ILE 110 Ca -0.03 -0.22 0.05 0.00 1.00 0.00 0.00 62.75 63.55 2aq6 n ILE 110 Cb 0.66 -1.94 -0.09 0.00 -0.71 0.00 0.00 39.64 37.57 2aq6 n ILE 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2aq6 n ALA 111 N -3.62 2.37 0.00 -1.39 0.00 0.14 -5.09 120.51 112.92 2aq6 n ALA 111 Ca -0.40 -0.32 0.00 0.00 0.00 0.00 0.00 53.44 52.73 2aq6 n ALA 111 Cb 0.79 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.88 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 1.88 -0.38 3.62 0.00 0.00 -0.64 -4.96 105.19 104.72 2aq6 n GLY 112 Ca -0.04 -2.10 -0.43 0.00 0.00 0.00 0.00 46.02 43.46 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 3.98 0.61 1.61 2.56 -1.26 -3.52 118.70 122.67 2aq6 s GLU 113 Ca 0.00 0.82 -0.18 0.00 0.00 0.00 0.00 54.97 55.60 2aq6 s GLU 113 Cb 0.00 -3.75 -0.03 0.00 2.00 0.00 0.00 34.13 32.35 2aq6 s GLU 113 CO 0.00 -0.86 1.22 -1.58 -0.56 0.00 0.00 175.26 173.48 2aq6 s HIS 114 N 3.43 2.34 0.09 5.30 5.65 -1.26 -4.96 115.29 125.89 2aq6 s HIS 114 Ca 0.40 1.51 -0.14 0.00 0.25 0.00 0.00 55.06 57.08 2aq6 s HIS 114 Cb -0.13 -3.50 -0.13 0.00 -1.18 0.00 0.00 32.58 27.64 2aq6 s HIS 114 CO 0.16 -2.31 1.33 0.77 -0.65 0.00 0.00 174.74 174.04 2aq6 h SER 115 N 0.79 0.84 -2.98 9.88 0.02 -2.02 -3.40 113.55 116.68 2aq6 h SER 115 Ca -0.50 -0.58 -0.59 0.00 -0.84 0.00 0.00 61.79 59.28 2aq6 h SER 115 Cb 1.30 -0.24 -0.39 0.00 0.14 0.00 0.00 62.40 63.20 2aq6 h SER 115 CO 0.55 1.27 -0.80 -0.62 -1.14 0.00 0.00 176.83 176.09 2aq6 s ASP 116 N -6.85 3.29 0.55 3.07 3.68 -1.26 -4.99 116.67 114.16 2aq6 s ASP 116 Ca -0.11 -2.32 0.25 0.00 2.13 0.00 0.00 52.55 52.50 2aq6 s ASP 116 Cb 0.08 -0.66 1.48 0.00 -1.45 0.00 0.00 42.92 42.37 2aq6 s ASP 116 CO 0.87 -0.30 2.06 -0.50 0.13 0.00 0.00 175.17 177.43 2aq6 h TRP 117 N 6.98 0.00 -0.23 -5.34 -0.00 -2.00 0.07 115.95 115.43 2aq6 h TRP 117 Ca 0.02 0.00 -0.11 0.00 -0.00 0.00 0.00 58.89 58.80 2aq6 h TRP 117 Cb 0.96 0.00 -0.01 0.00 -0.00 0.00 0.00 29.16 30.10 2aq6 h TRP 117 CO 0.45 0.00 -0.31 -0.44 -0.00 0.00 0.00 178.44 178.14 2aq6 h ASP 118 N 0.00 0.49 -0.31 -3.49 3.32 -1.99 0.12 116.42 114.57 2aq6 h ASP 118 Ca 0.14 -0.18 -0.15 0.00 0.02 0.00 0.00 57.03 56.86 2aq6 h ASP 118 Cb 0.62 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.03 2aq6 h ASP 118 CO -0.00 0.78 -0.38 -0.78 -1.72 0.00 0.00 179.24 177.14 2aq6 h ASP 119 N 0.41 0.87 -0.06 6.45 3.58 -1.43 -2.30 116.42 123.95 2aq6 h ASP 119 Ca 0.05 -0.49 -0.00 0.00 0.42 0.00 0.00 57.03 57.01 2aq6 h ASP 119 Cb 0.75 -0.25 -0.00 0.00 1.72 0.00 0.00 39.33 41.55 2aq6 h ASP 119 CO 0.06 1.19 0.03 0.22 -2.88 0.00 0.00 179.24 177.86 2aq6 h TYR 120 N 0.58 0.07 -0.34 0.28 3.20 -1.06 -1.05 116.97 118.66 2aq6 h TYR 120 Ca 0.04 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.97 2aq6 h TYR 120 Cb 0.97 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.16 2aq6 h TYR 120 CO 0.07 0.10 -0.03 0.00 -1.64 0.00 0.00 178.16 176.66 2aq6 h ARG 121 N 0.03 0.06 -0.75 1.82 3.08 -0.73 -0.83 114.38 117.05 2aq6 h ARG 121 Ca 0.02 -0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.10 2aq6 h ARG 121 Cb 0.05 -0.01 -0.05 0.00 0.08 0.00 0.00 29.97 30.04 2aq6 h ARG 121 CO -0.00 0.04 0.47 0.37 -1.07 0.00 0.00 179.97 179.78 2aq6 h GLN 122 N 0.06 0.89 -0.53 0.04 4.15 -1.18 -2.60 115.11 115.94 2aq6 h GLN 122 Ca 0.17 -0.05 -0.07 0.00 0.77 0.00 0.00 58.65 59.46 2aq6 h GLN 122 Cb 0.24 -0.20 -0.02 0.00 0.21 0.00 0.00 27.48 27.70 2aq6 h GLN 122 CO -0.30 0.59 0.05 0.00 -1.93 0.00 0.00 178.83 177.24 2aq6 h ALA 123 N 1.33 1.09 -0.80 3.38 0.00 -0.30 -0.78 119.26 123.18 2aq6 h ALA 123 Ca 0.31 -0.25 -0.05 0.00 0.00 0.00 0.00 54.91 54.92 2aq6 h ALA 123 Cb 0.04 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 2aq6 h ALA 123 CO -0.12 0.59 0.31 0.52 0.00 0.00 0.00 179.25 180.54 2aq6 h MET 124 N 0.81 1.20 -0.17 0.00 2.86 -0.82 -0.98 114.93 117.83 2aq6 h MET 124 Ca 0.16 -0.22 -0.06 0.00 -2.06 0.00 0.00 59.70 57.53 2aq6 h MET 124 Cb 0.41 -0.19 -0.00 0.00 0.06 0.00 0.00 31.60 31.88 2aq6 h MET 124 CO 0.01 0.97 -0.11 0.28 1.06 0.00 0.00 176.91 179.13 2aq6 h VAL 125 N 1.16 1.32 -0.89 -2.22 2.07 -1.21 -0.07 116.25 116.40 2aq6 h VAL 125 Ca 0.26 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.64 2aq6 h VAL 125 Cb 0.23 1.74 -0.06 0.00 -1.52 0.00 0.00 31.29 31.68 2aq6 h VAL 125 CO -0.02 0.36 0.56 0.74 0.02 0.00 0.00 177.57 179.23 2aq6 h THR 126 N 0.04 1.05 -0.49 2.57 2.02 -0.94 -1.99 112.91 115.18 2aq6 h THR 126 Ca 0.03 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.87 2aq6 h THR 126 Cb 0.61 -0.05 0.00 0.00 -1.74 0.00 0.00 68.15 66.97 2aq6 h THR 126 CO 0.03 0.19 0.00 0.47 0.37 0.00 0.00 175.52 176.58 2aq6 n ASP 127 N -4.60 2.94 -4.08 4.18 10.43 -0.39 -4.94 116.55 120.09 2aq6 n ASP 127 Ca 0.13 -2.10 -0.28 0.00 2.57 0.00 0.00 54.79 55.12 2aq6 n ASP 127 Cb 0.18 -0.38 -0.05 0.00 1.84 0.00 0.00 41.12 42.71 2aq6 n ASP 127 CO 0.00 0.00 0.00 0.54 -1.07 0.00 0.00 177.20 176.67 2aq6 n ARG 128 N 0.90 -2.50 -2.04 -1.24 5.12 -0.75 -4.22 116.66 111.93 2aq6 n ARG 128 Ca 0.17 0.30 -0.37 0.00 -1.93 0.00 0.00 57.85 56.02 2aq6 n ARG 128 Cb 0.50 -4.23 0.02 0.00 -1.16 0.00 0.00 32.46 27.59 2aq6 n ARG 128 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 2aq6 s ARG 129 N -6.84 3.34 0.01 5.56 1.81 -0.11 -1.74 118.95 120.98 2aq6 s ARG 129 Ca 0.02 1.94 0.03 0.00 -1.72 0.00 0.00 55.73 56.00 2aq6 s ARG 129 Cb -0.01 -2.22 -0.01 0.00 -0.45 0.00 0.00 34.95 32.25 2aq6 s ARG 129 CO 0.93 -0.94 -0.09 0.08 -0.68 0.00 0.00 175.30 174.59 2aq6 s VAL 130 N -1.48 0.73 -0.30 3.52 1.01 0.18 -0.61 120.40 123.45 2aq6 s VAL 130 Ca 0.70 -0.59 -0.13 0.00 0.00 0.00 0.00 61.98 61.96 2aq6 s VAL 130 Cb -0.33 -0.65 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 2aq6 s VAL 130 CO 0.38 0.06 0.28 -0.22 0.00 0.00 0.00 175.10 175.61 2aq6 s LEU 131 N -0.59 4.18 -0.30 3.92 0.20 -1.26 -1.13 118.68 123.69 2aq6 s LEU 131 Ca 0.01 -0.03 -0.14 0.00 0.69 0.00 0.00 54.13 54.66 2aq6 s LEU 131 Cb -0.05 -2.25 -0.03 0.00 -0.43 0.00 0.00 46.19 43.43 2aq6 s LEU 131 CO 0.00 -0.17 0.33 -0.22 -0.29 0.00 0.00 176.35 176.00 2aq6 s LEU 132 N 1.89 4.19 -0.22 -0.68 2.96 0.64 -2.41 118.68 125.06 2aq6 s LEU 132 Ca 0.10 0.02 -0.04 0.00 -0.22 0.00 0.00 54.13 53.99 2aq6 s LEU 132 Cb -0.16 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.19 2aq6 s LEU 132 CO 0.11 -0.21 -0.03 -0.89 -1.32 0.00 0.00 176.35 174.01 2aq6 s THR 133 N 1.98 3.54 -0.40 3.68 2.01 0.06 -0.94 115.64 125.57 2aq6 s THR 133 Ca 0.12 -0.44 -0.02 0.00 0.31 0.00 0.00 61.69 61.66 2aq6 s THR 133 Cb -0.16 -2.61 0.11 0.00 0.01 0.00 0.00 72.50 69.85 2aq6 s THR 133 CO 0.11 0.42 0.18 -0.22 -0.69 0.00 0.00 174.62 174.42 2aq6 s LEU 134 N 1.38 5.16 0.07 4.42 2.96 0.60 -0.52 118.68 132.75 2aq6 s LEU 134 Ca 0.05 -2.08 -0.30 0.00 -0.22 0.00 0.00 54.13 51.57 2aq6 s LEU 134 Cb -0.14 -1.79 -0.06 0.00 0.50 0.00 0.00 46.19 44.70 2aq6 s LEU 134 CO -0.01 -0.51 1.17 -2.16 -1.32 0.00 0.00 176.35 173.52 2aq6 s PRO 135 N 1.07 4.46 -0.36 0.98 0.04 -1.26 -1.48 135.00 138.44 2aq6 s PRO 135 Ca 0.09 1.74 -0.29 0.00 0.04 0.00 0.00 61.00 62.58 2aq6 s PRO 135 Cb -0.22 -3.35 0.00 0.00 0.04 0.00 0.00 34.50 30.97 2aq6 s PRO 135 CO -0.05 -0.21 1.41 0.42 0.04 0.00 0.00 177.00 178.61 2aq6 s ILE 136 N 0.94 3.95 -0.10 0.56 1.01 -0.88 -4.27 121.20 122.40 2aq6 s ILE 136 Ca 0.57 1.01 0.14 0.00 0.00 0.00 0.00 60.65 62.37 2aq6 s ILE 136 Cb -0.29 -4.14 -0.24 0.00 0.01 0.00 0.00 42.46 37.81 2aq6 s ILE 136 CO 0.30 -0.63 0.43 -1.20 0.00 0.00 0.00 174.94 173.83 2aq6 n SER 137 N 8.48 0.60 -3.70 3.58 7.64 -0.40 -4.98 113.62 124.86 2aq6 n SER 137 Ca 0.16 0.25 -0.14 0.00 1.01 0.00 0.00 58.87 60.15 2aq6 n SER 137 Cb 0.47 0.30 -0.08 0.00 -1.01 0.00 0.00 64.21 63.88 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 -2.56 -0.40 0.04 1.43 5.65 -0.94 -5.02 115.29 113.50 2aq6 s HIS 138 Ca -0.07 0.82 0.04 0.00 0.25 0.00 0.00 55.06 56.10 2aq6 s HIS 138 Cb 0.07 0.19 -0.02 0.00 -1.18 0.00 0.00 32.58 31.64 2aq6 s HIS 138 CO 0.82 -0.38 -0.13 0.14 -0.65 0.00 0.00 174.74 174.55 2aq6 s VAL 139 N -0.68 1.00 0.27 0.89 -7.23 -1.26 -0.28 120.40 113.11 2aq6 s VAL 139 Ca -0.08 -1.03 -0.12 0.00 -1.81 0.00 0.00 61.98 58.94 2aq6 s VAL 139 Cb -0.03 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 35.98 2aq6 s VAL 139 CO 0.04 -0.09 0.51 -0.72 -0.31 0.00 0.00 175.10 174.53 2aq6 s TYR 140 N -0.97 0.41 -5.00 2.82 1.13 -0.74 -4.98 117.35 110.02 2aq6 s TYR 140 Ca -0.01 -0.78 0.00 0.00 -1.41 0.00 0.00 57.07 54.87 2aq6 s TYR 140 Cb -0.08 0.22 0.00 0.00 -1.10 0.00 0.00 41.96 41.00 2aq6 s TYR 140 CO 0.01 -1.06 0.00 0.41 -2.51 0.00 0.00 175.55 172.40 2aq6 n GLY 141 N -0.42 0.95 2.67 5.49 0.00 -1.26 -0.17 105.19 112.46 2aq6 n GLY 141 Ca -0.02 -1.88 -0.29 0.00 0.00 0.00 0.00 46.02 43.83 2aq6 n GLY 141 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2aq6 s LEU 142 N 0.00 2.43 0.85 0.99 1.43 -0.68 -5.00 118.68 118.70 2aq6 s LEU 142 Ca 0.00 -2.55 -0.12 0.00 -1.03 0.00 0.00 54.13 50.43 2aq6 s LEU 142 Cb 0.00 -0.94 0.10 0.00 0.03 0.00 0.00 46.19 45.38 2aq6 s LEU 142 CO 0.00 -0.27 1.10 -2.16 0.23 0.00 0.00 176.35 175.24 2aq6 s PRO 143 N 0.47 1.68 0.24 1.29 0.04 -1.22 -1.30 135.00 136.20 2aq6 s PRO 143 Ca 0.18 0.67 -0.29 0.00 0.04 0.00 0.00 61.00 61.60 2aq6 s PRO 143 Cb -0.24 -1.87 -0.15 0.00 0.04 0.00 0.00 34.50 32.27 2aq6 s PRO 143 CO 0.00 -1.91 0.84 -0.35 0.04 0.00 0.00 177.00 175.62 2aq6 n PRO 144 N -3.63 0.81 0.00 0.56 -0.04 -1.26 -1.11 135.00 130.33 2aq6 n PRO 144 Ca 0.07 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.81 2aq6 n PRO 144 Cb 0.56 -1.53 0.00 0.00 -0.04 0.00 0.00 33.50 32.49 2aq6 n PRO 144 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2aq6 n GLY 145 N 1.58 3.45 0.07 0.55 0.00 -1.26 -4.84 105.19 104.73 2aq6 n GLY 145 Ca 0.13 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.82 0.58 0.00 1.61 0.00 -0.26 -5.25 117.12 111.98 2aq6 n MET 146 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 57.70 57.58 2aq6 n MET 146 Cb 0.00 -1.44 0.02 0.00 0.00 0.00 0.00 33.22 31.80 2aq6 n MET 146 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51