#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhj s THR 4 N 0.00 4.18 0.85 -5.08 -1.32 -1.26 -4.91 115.64 108.11 1uhj s THR 4 Ca 0.00 -0.27 -0.12 0.00 -1.21 0.00 0.00 61.69 60.09 1uhj s THR 4 Cb 0.00 -2.82 0.10 0.00 -1.51 0.00 0.00 72.50 68.27 1uhj s THR 4 CO 0.00 0.52 1.15 -0.94 -2.21 0.00 0.00 174.62 173.15 1uhj s SER 5 N -0.02 4.09 -0.36 8.08 1.04 -1.26 -4.70 113.70 120.57 1uhj s SER 5 Ca 0.03 0.89 0.14 0.00 0.48 0.00 0.00 55.95 57.49 1uhj s SER 5 Cb -0.13 -1.44 0.39 0.00 0.10 0.00 0.00 66.02 64.94 1uhj s SER 5 CO 0.02 -2.18 0.85 -0.67 0.98 0.00 0.00 173.24 172.25 1uhj n ASP 6 N -3.51 0.74 0.23 7.02 4.64 -1.26 -4.99 116.55 119.42 1uhj n ASP 6 Ca 0.07 -2.93 0.11 0.00 -1.38 0.00 0.00 54.79 50.66 1uhj n ASP 6 Cb 0.60 -0.37 0.51 0.00 -1.04 0.00 0.00 41.12 40.82 1uhj n ASP 6 CO 0.00 0.00 0.00 -0.26 -0.82 0.00 0.00 177.20 176.12 1uhj h PHE 7 N 2.96 0.00 -0.00 -0.67 0.05 -1.96 -1.85 116.94 115.47 1uhj h PHE 7 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1uhj h PHE 7 Cb 1.06 0.00 0.00 0.00 2.00 0.00 0.00 35.95 39.01 1uhj h PHE 7 CO 0.45 0.20 -0.10 -0.25 -0.18 0.00 0.00 178.31 178.43 1uhj n ASP 8 N -3.40 0.40 -4.65 2.17 8.00 -1.26 -4.69 116.55 113.12 1uhj n ASP 8 Ca -0.00 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.57 1uhj n ASP 8 Cb 0.40 -0.10 -0.03 0.00 -0.02 0.00 0.00 41.12 41.37 1uhj n ASP 8 CO 0.00 0.00 0.00 0.21 -0.39 0.00 0.00 177.20 177.02 1uhj s ASN 9 N -2.50 6.63 0.57 -2.24 3.84 -0.70 -4.90 114.94 115.64 1uhj s ASN 9 Ca 0.28 2.07 0.26 0.00 0.21 0.00 0.00 52.86 55.68 1uhj s ASN 9 Cb 0.20 -2.53 1.57 0.00 -0.55 0.00 0.00 41.25 39.94 1uhj s ASN 9 CO 0.48 -0.98 2.11 1.55 -2.79 0.00 0.00 177.10 177.46 1uhj h PRO 10 N 9.69 0.00 0.00 0.43 0.13 -1.89 -0.45 132.00 139.91 1uhj h PRO 10 Ca -0.37 0.00 -0.10 0.00 -0.87 0.00 0.00 66.00 64.66 1uhj h PRO 10 Cb 1.17 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.28 1uhj h PRO 10 CO 0.96 0.00 -0.48 0.00 -0.23 0.00 0.00 178.00 178.25 1uhj h ARG 11 N 0.00 0.00 -0.06 0.86 3.08 -1.95 0.61 114.38 116.93 1uhj h ARG 11 Ca 0.09 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.10 1uhj h ARG 11 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.49 1uhj h ARG 11 CO -0.00 0.48 -0.10 2.35 -1.07 0.00 0.00 179.97 181.63 1uhj h TRP 12 N 0.00 0.21 -0.89 3.04 7.01 -1.39 -2.01 115.95 121.92 1uhj h TRP 12 Ca -0.00 -0.07 -0.01 0.00 2.11 0.00 0.00 58.89 60.91 1uhj h TRP 12 Cb 1.03 -0.04 -0.04 0.00 -2.10 0.00 0.00 29.16 28.00 1uhj h TRP 12 CO 0.00 0.69 0.51 0.82 -2.79 0.00 0.00 178.44 177.67 1uhj h ILE 13 N -0.32 1.25 0.00 2.65 2.04 -1.26 -2.68 117.51 119.19 1uhj h ILE 13 Ca 0.00 -0.58 -0.14 0.00 1.00 0.00 0.00 64.86 65.14 1uhj h ILE 13 Cb 0.67 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 1uhj h ILE 13 CO 0.02 0.27 -0.66 1.23 0.00 0.00 0.00 178.15 179.01 1uhj h GLY 14 N 1.24 0.00 1.00 5.37 0.00 -0.92 -0.63 103.07 109.13 1uhj h GLY 14 Ca 0.32 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.63 1uhj h GLY 14 CO -0.06 0.00 -0.15 -0.09 0.00 0.00 0.00 176.54 176.25 1uhj h ARG 15 N 0.00 -0.39 0.00 4.80 2.43 -1.15 -0.29 114.38 119.78 1uhj h ARG 15 Ca -0.01 0.03 -0.07 0.00 -0.81 0.00 0.00 59.98 59.12 1uhj h ARG 15 Cb 1.34 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.97 1uhj h ARG 15 CO 0.09 -0.26 -0.32 0.45 -1.51 0.00 0.00 179.97 178.42 1uhj h HIS 16 N -0.42 0.00 -0.07 2.20 3.86 -1.36 -3.02 115.15 116.34 1uhj h HIS 16 Ca -0.04 0.00 -0.18 0.00 -1.16 0.00 0.00 60.37 58.99 1uhj h HIS 16 Cb 0.32 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.78 1uhj h HIS 16 CO -0.05 0.32 -0.72 -0.22 0.86 0.00 0.00 177.93 178.12 1uhj h LYS 17 N 0.00 0.35 0.00 2.45 3.64 -0.99 -0.72 116.57 121.30 1uhj h LYS 17 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 1uhj h LYS 17 Cb 0.74 0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.62 1uhj h LYS 17 CO 0.04 0.93 0.00 1.58 -2.27 0.00 0.00 179.45 179.73 1uhj n HIS 18 N -3.83 0.00 0.00 1.91 -0.00 -0.13 -1.13 115.22 112.04 1uhj n HIS 18 Ca -0.04 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.14 1uhj n HIS 18 Cb 0.70 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.57 1uhj n HIS 18 CO 0.00 0.00 0.00 0.34 0.46 0.00 0.00 176.34 177.14 1uhj n PHE 20 N -0.01 0.00 -0.20 1.57 7.35 -0.28 -0.90 117.46 124.98 1uhj n PHE 20 Ca 0.00 0.00 -0.06 0.00 -0.76 0.00 0.00 57.45 56.63 1uhj n PHE 20 Cb 0.00 0.00 0.10 0.00 0.35 0.00 0.00 39.48 39.93 1uhj n PHE 20 CO 0.00 0.00 0.00 -0.91 -0.76 0.00 0.00 176.76 175.09 1uhj h ASN 21 N 0.00 0.96 -0.65 -2.13 2.35 -1.39 0.27 115.58 114.99 1uhj h ASN 21 Ca 0.00 -0.20 -0.08 0.00 -0.55 0.00 0.00 56.30 55.46 1uhj h ASN 21 Cb 0.00 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.09 1uhj h ASN 21 CO 0.00 0.94 0.08 0.15 -1.65 0.00 0.00 177.43 176.95 1uhj h PHE 22 N 0.96 1.17 0.00 1.19 3.57 -1.27 -2.82 116.94 119.75 1uhj h PHE 22 Ca 0.20 -0.17 -0.09 0.00 3.53 0.00 0.00 57.97 61.44 1uhj h PHE 22 Cb 0.37 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.78 1uhj h PHE 22 CO 0.03 0.99 -0.42 -0.07 -2.23 0.00 0.00 178.31 176.60 1uhj h LEU 23 N 1.02 0.00 -6.21 0.59 3.38 -1.71 -3.34 115.31 109.05 1uhj h LEU 23 Ca 0.20 0.00 -0.75 0.00 0.09 0.00 0.00 57.88 57.42 1uhj h LEU 23 Cb 0.47 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.09 1uhj h LEU 23 CO 0.02 0.42 2.25 -0.67 0.09 0.00 0.00 178.44 180.55 1uhj n ASP 24 N -3.65 5.64 0.23 -0.43 2.03 0.04 -4.78 116.55 115.64 1uhj n ASP 24 Ca -0.01 -3.08 0.07 0.00 0.52 0.00 0.00 54.79 52.30 1uhj n ASP 24 Cb 0.52 -1.47 0.55 0.00 -0.72 0.00 0.00 41.12 40.00 1uhj n ASP 24 CO 0.00 0.00 0.00 -0.37 -1.92 0.00 0.00 177.20 174.91 1uhj h VAL 25 N 3.53 1.01 -0.54 5.18 -1.51 -1.75 -1.55 116.25 120.62 1uhj h VAL 25 Ca 0.48 -0.60 -0.01 0.00 -1.23 0.00 0.00 66.70 65.34 1uhj h VAL 25 Cb 0.56 1.33 -0.01 0.00 -2.13 0.00 0.00 31.29 31.04 1uhj h VAL 25 CO 1.63 0.17 0.02 0.59 -1.23 0.00 0.00 177.57 178.74 1uhj n ASN 26 N -4.18 5.43 -4.06 4.19 3.02 -1.26 -4.98 115.26 113.42 1uhj n ASN 26 Ca -0.02 -2.97 -0.29 0.00 -0.03 0.00 0.00 54.58 51.26 1uhj n ASN 26 Cb 0.24 -0.67 -0.03 0.00 -0.61 0.00 0.00 39.78 38.71 1uhj n ASN 26 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1uhj n HIS 27 N 0.40 -1.67 0.52 3.10 8.25 -0.58 -4.88 115.22 120.36 1uhj n HIS 27 Ca 0.28 0.76 0.13 0.00 -0.26 0.00 0.00 57.72 58.63 1uhj n HIS 27 Cb 1.17 -3.43 0.41 0.00 1.12 0.00 0.00 29.99 29.26 1uhj n HIS 27 CO 0.00 0.00 0.00 -0.91 0.64 0.00 0.00 176.34 176.07 1uhj h ASN 28 N -1.73 0.00 -0.04 0.41 2.35 -1.94 -3.47 115.58 111.16 1uhj h ASN 28 Ca -0.62 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.12 1uhj h ASN 28 Cb 1.38 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.74 1uhj h ASN 28 CO 0.68 0.00 -0.01 0.61 -1.65 0.00 0.00 177.43 177.06 1uhj n GLY 29 N 0.93 0.43 3.44 2.83 0.00 -1.26 -4.99 105.19 106.57 1uhj n GLY 29 Ca 0.04 -0.11 -0.16 0.00 0.00 0.00 0.00 46.02 45.79 1uhj n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1uhj s LYS 30 N -0.80 0.98 0.04 1.61 -2.85 -1.26 -3.93 119.74 113.52 1uhj s LYS 30 Ca 0.00 0.06 0.03 0.00 -1.00 0.00 0.00 55.97 55.06 1uhj s LYS 30 Cb 0.00 0.46 -0.02 0.00 -2.06 0.00 0.00 37.83 36.21 1uhj s LYS 30 CO 0.00 -0.31 -0.08 0.96 0.10 0.00 0.00 175.35 176.01 1uhj s ILE 31 N -1.51 0.61 0.25 3.79 -4.36 -0.49 -4.85 121.20 114.63 1uhj s ILE 31 Ca -0.10 -0.98 0.08 0.00 -0.26 0.00 0.00 60.65 59.39 1uhj s ILE 31 Cb -0.01 -0.64 -0.04 0.00 1.25 0.00 0.00 42.46 43.02 1uhj s ILE 31 CO 0.06 -0.28 0.08 -0.94 0.24 0.00 0.00 174.94 174.11 1uhj s SER 32 N -1.37 5.01 0.45 4.36 1.04 -1.26 -0.20 113.70 121.73 1uhj s SER 32 Ca -0.07 -0.44 0.14 0.00 0.48 0.00 0.00 55.95 56.06 1uhj s SER 32 Cb -0.09 -1.12 1.06 0.00 0.10 0.00 0.00 66.02 65.98 1uhj s SER 32 CO 0.01 -0.00 2.02 0.25 0.98 0.00 0.00 173.24 176.49 1uhj h LEU 33 N 1.83 0.31 -0.81 2.42 5.85 -1.72 -1.36 115.31 121.83 1uhj h LEU 33 Ca -0.46 0.00 0.04 0.00 0.84 0.00 0.00 57.88 58.30 1uhj h LEU 33 Cb 1.24 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 42.15 1uhj h LEU 33 CO 0.60 0.20 0.51 0.44 -0.34 0.00 0.00 178.44 179.85 1uhj h ASP 34 N 0.35 0.82 0.00 1.25 5.19 -1.91 -1.61 116.42 120.51 1uhj h ASP 34 Ca 0.22 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.63 1uhj h ASP 34 Cb 0.41 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1uhj h ASP 34 CO -0.05 0.56 0.00 -0.62 -3.12 0.00 0.00 179.24 176.00 1uhj n GLU 35 N -4.61 0.59 0.00 3.56 1.02 -0.52 -1.78 120.64 118.91 1uhj n GLU 35 Ca 0.10 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.24 1uhj n GLU 35 Cb 0.12 -1.21 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 1uhj n GLU 35 CO 0.00 0.00 0.00 1.33 1.18 0.00 0.00 177.13 179.64 1uhj n VAL 37 N 0.67 0.00 0.32 2.62 0.24 -0.61 -1.37 118.33 120.20 1uhj n VAL 37 Ca 0.00 0.00 -0.17 0.00 -2.04 0.00 0.00 64.34 62.13 1uhj n VAL 37 Cb 0.28 0.00 -0.09 0.00 -1.47 0.00 0.00 33.84 32.57 1uhj n VAL 37 CO 0.00 0.00 0.00 0.22 -2.14 0.00 0.00 176.83 174.91 1uhj h TYR 38 N 0.00 -0.72 -0.44 6.34 3.20 -1.59 -2.22 116.97 121.54 1uhj h TYR 38 Ca 0.00 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 61.93 1uhj h TYR 38 Cb 0.00 0.24 -0.06 0.00 1.54 0.00 0.00 36.73 38.44 1uhj h TYR 38 CO 0.00 -0.44 0.06 -0.22 -1.64 0.00 0.00 178.16 175.92 1uhj h LYS 39 N -0.78 0.18 -0.39 1.82 3.64 -1.48 0.41 116.57 119.96 1uhj h LYS 39 Ca -0.08 -0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.33 1uhj h LYS 39 Cb 0.60 -0.04 -0.04 0.00 -0.41 0.00 0.00 32.23 32.34 1uhj h LYS 39 CO 0.13 0.12 0.17 0.00 -2.27 0.00 0.00 179.45 177.60 1uhj h ALA 40 N 1.36 0.48 0.02 5.00 0.00 -1.80 -1.90 119.26 122.41 1uhj h ALA 40 Ca 0.22 0.03 -0.21 0.00 0.00 0.00 0.00 54.91 54.95 1uhj h ALA 40 Cb 0.29 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uhj h ALA 40 CO -0.31 -0.21 -0.94 0.77 0.00 0.00 0.00 179.25 178.56 1uhj h SER 41 N 0.35 0.26 -0.11 0.00 0.02 -1.02 -2.69 113.55 110.35 1uhj h SER 41 Ca 0.17 -0.22 0.03 0.00 -0.84 0.00 0.00 61.79 60.93 1uhj h SER 41 Cb 0.12 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.54 1uhj h SER 41 CO -0.15 1.06 -0.10 -0.78 -1.14 0.00 0.00 176.83 175.72 1uhj h ASP 42 N 0.10 -0.30 0.50 3.07 1.82 -0.73 -0.24 116.42 120.63 1uhj h ASP 42 Ca -0.05 0.06 -0.02 0.00 -0.39 0.00 0.00 57.03 56.63 1uhj h ASP 42 Cb 1.59 0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.75 1uhj h ASP 42 CO 0.14 -0.13 -0.33 0.40 -1.61 0.00 0.00 179.24 177.71 1uhj h ILE 43 N -0.12 0.32 -0.11 2.25 2.04 -1.31 0.36 117.51 120.94 1uhj h ILE 43 Ca 0.07 0.00 -0.17 0.00 1.00 0.00 0.00 64.86 65.77 1uhj h ILE 43 Cb 0.22 0.32 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1uhj h ILE 43 CO -0.18 0.00 -0.64 -0.37 0.00 0.00 0.00 178.15 176.97 1uhj h VAL 44 N -0.80 1.36 0.04 1.67 -1.51 -1.38 0.11 116.25 115.74 1uhj h VAL 44 Ca -0.06 -1.98 -0.07 0.00 -1.23 0.00 0.00 66.70 63.37 1uhj h VAL 44 Cb 0.67 1.97 0.01 0.00 -2.13 0.00 0.00 31.29 31.80 1uhj h VAL 44 CO 0.04 0.60 -0.31 0.40 -1.23 0.00 0.00 177.57 177.07 1uhj h ILE 45 N 0.30 1.67 0.00 7.19 2.04 -0.99 -1.25 117.51 126.48 1uhj h ILE 45 Ca -0.01 -2.40 -0.05 0.00 1.00 0.00 0.00 64.86 63.39 1uhj h ILE 45 Cb 1.18 3.29 -0.01 0.00 -0.74 0.00 0.00 36.82 40.54 1uhj h ILE 45 CO 0.11 0.63 -0.72 0.78 0.00 0.00 0.00 178.15 178.96 1uhj h ASN 46 N -0.80 0.00 0.00 1.72 2.35 -0.98 -3.35 115.58 114.52 1uhj h ASN 46 Ca -0.06 0.00 -0.09 0.00 -0.55 0.00 0.00 56.30 55.60 1uhj h ASN 46 Cb 1.22 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 39.57 1uhj h ASN 46 CO 0.04 0.21 -1.35 0.59 -1.65 0.00 0.00 177.43 175.27 1uhj n ASN 47 N -2.94 3.73 -0.15 5.81 5.03 -0.02 -4.83 115.26 121.89 1uhj n ASN 47 Ca -0.00 -0.00 0.01 0.00 0.87 0.00 0.00 54.58 55.46 1uhj n ASN 47 Cb 0.64 0.61 0.03 0.00 -1.02 0.00 0.00 39.78 40.04 1uhj n ASN 47 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 1uhj n LEU 48 N -2.20 2.06 -0.07 3.41 4.77 -0.92 -5.02 117.00 119.03 1uhj n LEU 48 Ca -0.08 -1.83 -0.01 0.00 -0.03 0.00 0.00 56.01 54.06 1uhj n LEU 48 Cb 0.67 -0.05 -0.00 0.00 -2.33 0.00 0.00 43.42 41.70 1uhj n LEU 48 CO 0.11 0.51 -0.01 0.61 -1.33 0.00 0.00 177.39 177.28 1uhj n GLY 49 N -0.17 0.48 3.76 -0.72 0.00 -0.95 -4.84 105.19 102.74 1uhj n GLY 49 Ca 0.03 -0.69 -0.41 0.00 0.00 0.00 0.00 46.02 44.94 1uhj n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhj n ALA 50 N 1.02 2.43 -1.00 4.61 0.00 -0.51 -5.01 120.51 122.05 1uhj n ALA 50 Ca -0.01 0.36 -0.30 0.00 0.00 0.00 0.00 53.44 53.48 1uhj n ALA 50 Cb 0.04 -2.44 0.14 0.00 0.00 0.00 0.00 19.45 17.20 1uhj n ALA 50 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1uhj s THR 51 N -0.57 2.63 0.22 0.00 -4.23 -1.26 -4.76 115.64 107.68 1uhj s THR 51 Ca 0.59 0.21 -0.07 0.00 -1.18 0.00 0.00 61.69 61.23 1uhj s THR 51 Cb -0.49 -2.50 0.17 0.00 1.34 0.00 0.00 72.50 71.02 1uhj s THR 51 CO 0.56 -0.27 1.78 -0.65 -0.54 0.00 0.00 174.62 175.50 1uhj h PRO 52 N -1.62 0.59 -0.37 3.99 0.11 -1.99 0.73 132.00 133.44 1uhj h PRO 52 Ca -0.47 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1uhj h PRO 52 Cb 1.27 -0.13 -0.01 0.00 0.11 0.00 0.00 31.00 32.23 1uhj h PRO 52 CO 0.49 0.39 0.03 0.93 -0.21 0.00 0.00 178.00 179.63 1uhj h GLU 53 N 0.61 0.63 -0.59 1.05 3.07 -2.00 -2.20 114.58 115.15 1uhj h GLU 53 Ca 0.34 -0.19 0.02 0.00 -0.50 0.00 0.00 59.36 59.04 1uhj h GLU 53 Cb 0.35 -0.06 -0.03 0.00 -0.84 0.00 0.00 28.75 28.16 1uhj h GLU 53 CO -0.26 0.72 0.37 1.96 -1.40 0.00 0.00 179.01 180.40 1uhj h GLN 54 N 0.46 0.73 -0.57 2.33 4.20 -1.86 -1.62 115.11 118.78 1uhj h GLN 54 Ca 0.11 -0.04 -0.02 0.00 0.06 0.00 0.00 58.65 58.76 1uhj h GLN 54 Cb 0.42 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.01 1uhj h GLN 54 CO 0.01 0.48 0.28 0.00 -0.67 0.00 0.00 178.83 178.94 1uhj h ALA 55 N 1.24 0.73 -0.45 3.87 0.00 -0.62 -1.47 119.26 122.56 1uhj h ALA 55 Ca 0.23 -0.12 -0.10 0.00 0.00 0.00 0.00 54.91 54.92 1uhj h ALA 55 Cb -0.03 -0.22 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1uhj h ALA 55 CO -0.08 0.28 -0.11 0.87 0.00 0.00 0.00 179.25 180.21 1uhj h LYS 56 N 0.77 0.82 -0.56 0.00 1.57 -1.20 0.39 116.57 118.35 1uhj h LYS 56 Ca 0.20 -0.28 -0.02 0.00 -1.87 0.00 0.00 60.65 58.68 1uhj h LYS 56 Cb 0.10 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.31 1uhj h LYS 56 CO -0.03 0.89 0.27 -0.09 -0.57 0.00 0.00 179.45 179.92 1uhj h ARG 57 N 0.74 0.80 -0.51 3.15 2.43 -1.10 -0.67 114.38 119.22 1uhj h ARG 57 Ca 0.12 -0.12 -0.08 0.00 -0.81 0.00 0.00 59.98 59.10 1uhj h ARG 57 Cb 0.60 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1uhj h ARG 57 CO 0.04 0.65 0.01 1.25 -1.51 0.00 0.00 179.97 180.42 1uhj h HIS 58 N 0.75 0.97 -0.38 2.20 2.76 -0.99 -2.22 115.15 118.24 1uhj h HIS 58 Ca 0.19 -0.16 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 1uhj h HIS 58 Cb 0.12 -0.26 -0.02 0.00 1.55 0.00 0.00 27.41 28.80 1uhj h HIS 58 CO -0.00 0.90 0.15 -0.22 -1.30 0.00 0.00 177.93 177.46 1uhj h LYS 59 N 0.76 0.57 -0.82 5.26 3.64 -0.57 -1.29 116.57 124.13 1uhj h LYS 59 Ca 0.15 -0.10 0.05 0.00 -1.27 0.00 0.00 60.65 59.48 1uhj h LYS 59 Cb 0.50 -0.09 -0.06 0.00 -0.41 0.00 0.00 32.23 32.17 1uhj h LYS 59 CO 0.02 0.54 0.50 -0.44 -2.27 0.00 0.00 179.45 177.81 1uhj h ASP 60 N 0.47 0.79 -0.39 4.20 3.32 -1.03 -0.50 116.42 123.28 1uhj h ASP 60 Ca 0.13 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 57.14 1uhj h ASP 60 Cb 0.19 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1uhj h ASP 60 CO -0.01 0.52 0.03 0.00 -1.72 0.00 0.00 179.24 178.06 1uhj h ALA 61 N 1.38 0.52 -0.54 3.45 0.00 -0.78 -1.64 119.26 121.65 1uhj h ALA 61 Ca 0.35 -0.23 -0.07 0.00 0.00 0.00 0.00 54.91 54.96 1uhj h ALA 61 Cb 0.14 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1uhj h ALA 61 CO -0.16 0.26 0.07 0.28 0.00 0.00 0.00 179.25 179.70 1uhj h VAL 62 N 0.50 1.26 -0.60 0.00 2.07 -0.93 -0.70 116.25 117.85 1uhj h VAL 62 Ca 0.12 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.73 1uhj h VAL 62 Cb 0.42 0.85 -0.07 0.00 -1.52 0.00 0.00 31.29 30.97 1uhj h VAL 62 CO 0.01 0.36 0.25 -0.08 0.02 0.00 0.00 177.57 178.13 1uhj h GLU 63 N 0.79 0.44 -0.18 1.57 4.81 -1.06 -1.47 114.58 119.49 1uhj h GLU 63 Ca 0.16 -0.03 -0.17 0.00 -0.13 0.00 0.00 59.36 59.20 1uhj h GLU 63 Cb 0.44 -0.10 -0.00 0.00 0.63 0.00 0.00 28.75 29.71 1uhj h GLU 63 CO 0.01 0.29 -0.58 0.00 -0.73 0.00 0.00 179.01 178.01 1uhj h ALA 64 N 1.39 0.66 0.83 2.92 0.00 -0.98 -0.42 119.26 123.65 1uhj h ALA 64 Ca 0.30 -0.53 -0.04 0.00 0.00 0.00 0.00 54.91 54.64 1uhj h ALA 64 Cb 0.33 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.05 1uhj h ALA 64 CO -0.27 0.70 -0.40 0.35 0.00 0.00 0.00 179.25 179.62 1uhj h PHE 65 N 0.43 -1.04 0.00 0.00 3.57 -0.82 -1.31 116.94 117.77 1uhj h PHE 65 Ca 0.00 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.40 1uhj h PHE 65 Cb 1.13 0.34 -0.01 0.00 2.79 0.00 0.00 35.95 40.20 1uhj h PHE 65 CO 0.05 -0.64 -0.37 0.74 -2.23 0.00 0.00 178.31 175.86 1uhj h PHE 66 N -1.25 0.00 -0.93 0.41 -1.00 -1.33 -2.08 116.94 110.77 1uhj h PHE 66 Ca -0.11 0.00 0.10 0.00 2.81 0.00 0.00 57.97 60.77 1uhj h PHE 66 Cb 0.87 0.00 -0.07 0.00 3.61 0.00 0.00 35.95 40.36 1uhj h PHE 66 CO -0.00 0.37 0.59 0.78 -1.61 0.00 0.00 178.31 178.44 1uhj h GLY 67 N 1.38 1.38 2.00 -1.45 0.00 -1.03 -1.83 103.07 103.52 1uhj h GLY 67 Ca -0.00 -0.38 -0.04 0.00 0.00 0.00 0.00 47.33 46.90 1uhj h GLY 67 CO 0.05 0.20 -0.19 -1.33 0.00 0.00 0.00 176.54 175.27 1uhj h GLY 68 N 0.92 0.00 -1.14 4.60 0.00 -0.50 -0.38 103.07 106.56 1uhj h GLY 68 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 1uhj h GLY 68 CO -0.20 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.34 1uhj n ALA 69 N -2.22 2.46 -0.23 3.60 0.00 -0.70 -3.70 120.51 119.71 1uhj n ALA 69 Ca -0.00 -0.54 0.00 0.00 0.00 0.00 0.00 53.44 52.90 1uhj n ALA 69 Cb 0.39 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.87 1uhj n ALA 69 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1uhj n GLY 70 N 0.98 0.66 0.00 0.00 0.00 -0.16 -4.18 105.19 102.50 1uhj n GLY 70 Ca 0.10 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.46 1uhj n GLY 70 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1uhj n LYS 72 N -0.16 0.00 -1.78 1.61 5.02 -1.26 -4.98 118.16 116.60 1uhj n LYS 72 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 1uhj n LYS 72 Cb 0.08 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.08 1uhj n LYS 72 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 1uhj s TYR 73 N -2.00 2.65 0.00 2.13 1.51 -1.26 -2.47 117.35 117.90 1uhj s TYR 73 Ca 0.00 0.98 0.00 0.00 -1.01 0.00 0.00 57.07 57.04 1uhj s TYR 73 Cb 0.00 -4.06 0.00 0.00 -0.11 0.00 0.00 41.96 37.79 1uhj s TYR 73 CO 0.00 -3.31 0.00 0.41 -1.11 0.00 0.00 175.55 171.54 1uhj n GLY 74 N 1.23 0.45 3.33 0.71 0.00 -1.26 -4.99 105.19 104.66 1uhj n GLY 74 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1uhj n GLY 74 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1uhj s VAL 75 N -2.08 2.39 -0.29 1.61 1.01 -1.03 -5.10 120.40 116.91 1uhj s VAL 75 Ca 0.00 -0.95 -0.13 0.00 0.00 0.00 0.00 61.98 60.90 1uhj s VAL 75 Cb 0.00 -1.89 -0.04 0.00 0.00 0.00 0.00 36.38 34.45 1uhj s VAL 75 CO 0.00 0.57 0.26 -1.61 0.00 0.00 0.00 175.10 174.33 1uhj s GLU 76 N -0.31 3.90 -0.30 2.72 0.41 -1.26 -4.18 118.70 119.68 1uhj s GLU 76 Ca 0.01 -0.25 -0.11 0.00 -0.41 0.00 0.00 54.97 54.21 1uhj s GLU 76 Cb -0.13 -3.68 -0.03 0.00 -1.78 0.00 0.00 34.13 28.51 1uhj s GLU 76 CO 0.02 -0.26 0.20 0.99 -0.49 0.00 0.00 175.26 175.72 1uhj s THR 77 N 1.87 5.19 0.84 3.63 2.01 0.72 -4.86 115.64 125.04 1uhj s THR 77 Ca 0.10 -0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.98 1uhj s THR 77 Cb -0.16 -3.55 0.16 0.00 0.01 0.00 0.00 72.50 68.96 1uhj s THR 77 CO 0.11 0.15 1.15 1.51 -0.69 0.00 0.00 174.62 176.85 1uhj s ASP 78 N 1.73 3.73 0.06 3.53 3.84 -1.26 -1.40 116.67 126.90 1uhj s ASP 78 Ca 0.06 -0.09 -0.24 0.00 -0.00 0.00 0.00 52.55 52.29 1uhj s ASP 78 Cb -0.17 -0.12 -0.16 0.00 -1.38 0.00 0.00 42.92 41.09 1uhj s ASP 78 CO 0.10 -2.30 1.61 -0.25 -0.00 0.00 0.00 175.17 174.33 1uhj h TRP 79 N -1.07 -0.01 -0.92 2.11 2.91 -1.99 -0.61 115.95 116.36 1uhj h TRP 79 Ca -0.40 -0.00 0.08 0.00 1.13 0.00 0.00 58.89 59.70 1uhj h TRP 79 Cb 1.25 0.00 -0.07 0.00 -0.51 0.00 0.00 29.16 29.84 1uhj h TRP 79 CO -0.67 0.12 0.57 -1.35 -1.03 0.00 0.00 178.44 176.08 1uhj h PRO 80 N -0.15 0.98 -0.21 2.65 0.11 -1.95 -0.92 132.00 132.51 1uhj h PRO 80 Ca -0.00 -0.06 -0.10 0.00 0.11 0.00 0.00 66.00 65.95 1uhj h PRO 80 Cb 0.14 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.02 1uhj h PRO 80 CO 0.00 0.65 -0.30 0.00 -0.21 0.00 0.00 178.00 178.13 1uhj h ALA 81 N 1.45 1.08 -0.09 -0.75 0.00 -1.90 -2.67 119.26 116.37 1uhj h ALA 81 Ca 0.42 -0.37 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1uhj h ALA 81 Cb 0.26 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.94 1uhj h ALA 81 CO -0.20 0.57 -0.04 -0.92 0.00 0.00 0.00 179.25 178.66 1uhj h TYR 82 N 0.37 0.22 -0.10 0.00 3.20 -0.24 -1.11 116.97 119.31 1uhj h TYR 82 Ca 0.05 -0.05 -0.14 0.00 3.14 0.00 0.00 58.73 61.73 1uhj h TYR 82 Cb 0.72 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1uhj h TYR 82 CO 0.02 0.54 -0.53 0.97 -1.64 0.00 0.00 178.16 177.52 1uhj h ILE 83 N -0.17 1.35 -0.21 1.81 6.09 -1.24 -0.75 117.51 124.39 1uhj h ILE 83 Ca 0.02 -1.81 -0.02 0.00 -1.37 0.00 0.00 64.86 61.68 1uhj h ILE 83 Cb 0.48 1.87 -0.01 0.00 0.47 0.00 0.00 36.82 39.63 1uhj h ILE 83 CO 0.01 0.54 0.06 -0.08 -3.07 0.00 0.00 178.15 175.61 1uhj h GLU 84 N 0.23 0.33 -0.38 2.19 4.22 -1.44 -1.98 114.58 117.76 1uhj h GLU 84 Ca 0.00 -0.08 0.01 0.00 0.08 0.00 0.00 59.36 59.37 1uhj h GLU 84 Cb 1.02 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.20 1uhj h GLU 84 CO 0.09 0.44 0.25 0.78 -2.18 0.00 0.00 179.01 178.39 1uhj h GLY 85 N 0.16 0.52 1.62 1.92 0.00 -1.07 -2.29 103.07 103.93 1uhj h GLY 85 Ca 0.07 -0.19 -0.09 0.00 0.00 0.00 0.00 47.33 47.12 1uhj h GLY 85 CO -0.00 0.19 -0.22 1.49 0.00 0.00 0.00 176.54 178.00 1uhj h TRP 86 N 0.50 0.50 -0.90 5.60 4.06 -0.75 -0.99 115.95 123.97 1uhj h TRP 86 Ca 0.14 -0.10 0.02 0.00 2.06 0.00 0.00 58.89 61.01 1uhj h TRP 86 Cb -0.05 -0.13 -0.05 0.00 -1.00 0.00 0.00 29.16 27.94 1uhj h TRP 86 CO -0.00 0.65 0.59 0.87 -3.56 0.00 0.00 178.44 176.99 1uhj h LYS 87 N 0.41 1.15 -0.17 0.49 1.57 -0.78 -1.41 116.57 117.82 1uhj h LYS 87 Ca 0.06 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1uhj h LYS 87 Cb 0.62 -0.26 -0.01 0.00 0.08 0.00 0.00 32.23 32.66 1uhj h LYS 87 CO 0.04 0.76 0.01 0.87 -0.57 0.00 0.00 179.45 180.57 1uhj h LYS 88 N 1.18 0.29 0.16 3.15 1.57 -1.28 -2.29 116.57 119.35 1uhj h LYS 88 Ca 0.34 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 59.04 1uhj h LYS 88 Cb -0.08 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1uhj h LYS 88 CO -0.09 0.48 -0.14 1.25 -0.57 0.00 0.00 179.45 180.39 1uhj h LEU 89 N 0.06 -0.36 -0.73 2.94 5.85 -0.88 -0.68 115.31 121.50 1uhj h LEU 89 Ca 0.05 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.80 1uhj h LEU 89 Cb 0.34 0.12 -0.03 0.00 0.37 0.00 0.00 40.66 41.46 1uhj h LEU 89 CO 0.01 -0.22 0.43 0.00 -0.34 0.00 0.00 178.44 178.32 1uhj h ALA 90 N 0.49 0.93 -0.30 1.25 0.00 -1.31 0.19 119.26 120.51 1uhj h ALA 90 Ca -0.00 -0.09 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1uhj h ALA 90 Cb 0.29 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1uhj h ALA 90 CO -0.02 0.40 0.16 1.15 0.00 0.00 0.00 179.25 180.94 1uhj h THR 91 N 0.99 1.02 -0.69 0.00 2.02 -1.08 -0.67 112.91 114.50 1uhj h THR 91 Ca 0.26 -0.12 -0.04 0.00 0.77 0.00 0.00 66.41 67.29 1uhj h THR 91 Cb -0.03 0.65 -0.03 0.00 -1.74 0.00 0.00 68.15 67.00 1uhj h THR 91 CO -0.05 0.06 0.29 0.44 0.37 0.00 0.00 175.52 176.64 1uhj h ASP 92 N 0.34 0.95 -0.30 4.18 3.45 -0.63 -1.98 116.42 122.42 1uhj h ASP 92 Ca 0.12 -0.16 -0.06 0.00 0.43 0.00 0.00 57.03 57.35 1uhj h ASP 92 Cb 0.01 -0.24 -0.01 0.00 -0.56 0.00 0.00 39.33 38.53 1uhj h ASP 92 CO -0.06 0.85 -0.06 -0.33 -1.57 0.00 0.00 179.24 178.07 1uhj h GLU 93 N 0.98 0.57 -0.30 3.56 4.39 -0.65 -1.25 114.58 121.88 1uhj h GLU 93 Ca 0.23 -0.21 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 1uhj h GLU 93 Cb 0.19 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 28.78 1uhj h GLU 93 CO -0.02 0.75 -0.02 -0.07 -1.16 0.00 0.00 179.01 178.49 1uhj h LEU 94 N 0.34 0.44 -0.23 1.33 3.38 -0.99 -1.09 115.31 118.48 1uhj h LEU 94 Ca 0.08 -0.08 -0.05 0.00 0.09 0.00 0.00 57.88 57.91 1uhj h LEU 94 Cb 0.53 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.16 1uhj h LEU 94 CO 0.03 0.52 -0.07 -0.08 0.09 0.00 0.00 178.44 178.92 1uhj h GLU 95 N 0.45 0.45 -0.26 1.13 4.81 -1.14 -1.38 114.58 118.64 1uhj h GLU 95 Ca 0.10 -0.18 0.03 0.00 -0.13 0.00 0.00 59.36 59.18 1uhj h GLU 95 Cb 0.33 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 29.66 1uhj h GLU 95 CO 0.01 0.70 0.05 0.87 -0.73 0.00 0.00 179.01 179.91 1uhj h LYS 96 N 0.17 0.15 -0.83 1.92 1.57 -0.93 -2.44 116.57 116.18 1uhj h LYS 96 Ca 0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.81 1uhj h LYS 96 Cb 0.54 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 1uhj h LYS 96 CO 0.03 0.10 0.45 -0.92 -0.57 0.00 0.00 179.45 178.54 1uhj h TYR 97 N 0.15 1.14 -0.06 -1.35 3.20 -1.08 0.18 116.97 119.16 1uhj h TYR 97 Ca 0.12 -0.03 -0.10 0.00 3.14 0.00 0.00 58.73 61.86 1uhj h TYR 97 Cb 0.12 -0.36 -0.01 0.00 1.54 0.00 0.00 36.73 38.01 1uhj h TYR 97 CO -0.16 0.79 -0.42 0.00 -1.64 0.00 0.00 178.16 176.74 1uhj h ALA 98 N 1.33 1.19 -0.39 1.82 0.00 -1.13 -2.62 119.26 119.45 1uhj h ALA 98 Ca 0.29 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1uhj h ALA 98 Cb 0.03 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1uhj h ALA 98 CO -0.05 0.57 0.00 1.63 0.00 0.00 0.00 179.25 181.40 1uhj n LYS 99 N -4.03 2.06 -3.57 0.00 5.02 -0.72 -4.94 118.16 111.99 1uhj n LYS 99 Ca -0.02 -1.48 -0.26 0.00 -2.02 0.00 0.00 58.31 54.53 1uhj n LYS 99 Cb 0.47 -1.38 0.04 0.00 -0.02 0.00 0.00 35.03 34.14 1uhj n LYS 99 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1uhj n ASN 100 N 0.64 -5.35 -4.71 4.39 5.15 -0.88 -5.01 115.26 109.49 1uhj n ASN 100 Ca 0.14 -0.56 -0.35 0.00 -0.60 0.00 0.00 54.58 53.21 1uhj n ASN 100 Cb 0.39 -4.28 -0.09 0.00 -0.53 0.00 0.00 39.78 35.26 1uhj n ASN 100 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 1uhj s GLU 101 N -6.27 3.00 0.20 1.20 2.02 -0.03 -5.02 118.70 113.81 1uhj s GLU 101 Ca 0.54 -0.41 -0.33 0.00 0.02 0.00 0.00 54.97 54.78 1uhj s GLU 101 Cb -0.26 -2.82 -0.14 0.00 0.10 0.00 0.00 34.13 31.02 1uhj s GLU 101 CO 0.66 0.70 1.52 -2.30 0.02 0.00 0.00 175.26 175.86 1uhj n PRO 102 N 1.96 2.16 -2.68 0.39 -0.02 -1.26 -4.07 135.00 131.47 1uhj n PRO 102 Ca -0.18 0.77 -0.27 0.00 -2.02 0.00 0.00 63.50 61.81 1uhj n PRO 102 Cb 0.54 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.51 1uhj n PRO 102 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1uhj s THR 103 N 0.51 4.77 0.33 3.45 -4.23 -1.26 -4.94 115.64 114.26 1uhj s THR 103 Ca 0.74 0.10 0.02 0.00 -1.18 0.00 0.00 61.69 61.37 1uhj s THR 103 Cb -0.65 -3.81 0.20 0.00 1.34 0.00 0.00 72.50 69.58 1uhj s THR 103 CO 0.43 -0.77 1.92 -0.07 -0.54 0.00 0.00 174.62 175.58 1uhj h LEU 104 N 0.23 0.66 -0.67 4.79 3.38 -1.94 -1.31 115.31 120.45 1uhj h LEU 104 Ca -0.47 -0.08 -0.13 0.00 0.09 0.00 0.00 57.88 57.29 1uhj h LEU 104 Cb 1.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 41.78 1uhj h LEU 104 CO 0.61 0.59 -0.41 -0.29 0.09 0.00 0.00 178.44 179.04 1uhj h ILE 105 N 0.72 1.30 -0.51 1.22 6.09 -1.95 -1.56 117.51 122.82 1uhj h ILE 105 Ca 0.17 -1.58 -0.05 0.00 -1.37 0.00 0.00 64.86 62.04 1uhj h ILE 105 Cb 0.14 1.56 -0.02 0.00 0.47 0.00 0.00 36.82 38.97 1uhj h ILE 105 CO -0.02 0.50 0.11 -0.09 -3.07 0.00 0.00 178.15 175.58 1uhj h ARG 106 N 0.46 0.83 -0.56 2.19 9.65 -1.81 -1.19 114.38 123.94 1uhj h ARG 106 Ca 0.04 -0.21 -0.02 0.00 -1.10 0.00 0.00 59.98 58.69 1uhj h ARG 106 Cb 0.91 -0.11 -0.03 0.00 -1.39 0.00 0.00 29.97 29.36 1uhj h ARG 106 CO 0.08 0.80 0.27 0.82 2.80 0.00 0.00 179.97 184.74 1uhj h ILE 107 N 0.72 1.20 -0.00 1.20 2.04 -1.03 0.62 117.51 122.26 1uhj h ILE 107 Ca 0.16 -0.58 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1uhj h ILE 107 Cb 0.35 0.55 -0.00 0.00 -0.74 0.00 0.00 36.82 36.98 1uhj h ILE 107 CO 0.00 0.23 0.00 -0.25 0.00 0.00 0.00 178.15 178.14 1uhj h TRP 108 N 0.76 0.00 -0.72 1.37 7.01 -1.19 -2.31 115.95 120.87 1uhj h TRP 108 Ca 0.19 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.33 1uhj h TRP 108 Cb 0.12 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.09 1uhj h TRP 108 CO -0.00 -0.00 0.28 0.78 -2.79 0.00 0.00 178.44 176.71 1uhj h GLY 109 N 0.00 1.08 0.98 2.65 0.00 -0.79 0.67 103.07 107.66 1uhj h GLY 109 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.16 1uhj h GLY 109 CO -0.00 -0.08 0.20 -0.55 0.00 0.00 0.00 176.54 176.11 1uhj h ASP 110 N 0.44 0.77 -0.41 0.19 3.32 -0.75 0.11 116.42 120.09 1uhj h ASP 110 Ca 0.39 -0.18 -0.07 0.00 0.02 0.00 0.00 57.03 57.19 1uhj h ASP 110 Cb 0.57 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.91 1uhj h ASP 110 CO -0.38 0.74 -0.02 0.00 -1.72 0.00 0.00 179.24 177.85 1uhj h ALA 111 N 1.06 0.55 -0.26 3.45 0.00 -0.81 -2.00 119.26 121.25 1uhj h ALA 111 Ca 0.18 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.76 1uhj h ALA 111 Cb 0.22 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1uhj h ALA 111 CO -0.01 0.35 -0.04 1.25 0.00 0.00 0.00 179.25 180.79 1uhj h LEU 112 N 0.56 0.48 -1.44 0.00 5.85 -0.74 -3.17 115.31 116.86 1uhj h LEU 112 Ca 0.11 -0.35 -0.06 0.00 0.84 0.00 0.00 57.88 58.42 1uhj h LEU 112 Cb 0.51 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.40 1uhj h LEU 112 CO 0.03 0.72 -0.28 -0.26 -0.34 0.00 0.00 178.44 178.31 1uhj h PHE 113 N 0.24 0.00 0.00 1.25 -1.00 -0.75 -0.36 116.94 116.31 1uhj h PHE 113 Ca 0.07 0.00 -0.04 0.00 2.81 0.00 0.00 57.97 60.81 1uhj h PHE 113 Cb 0.50 0.00 -0.01 0.00 3.61 0.00 0.00 35.95 40.06 1uhj h PHE 113 CO 0.05 0.28 -0.17 0.22 -1.61 0.00 0.00 178.31 177.07 1uhj h ASP 114 N 0.00 0.00 0.11 2.17 -0.00 -1.33 -0.92 116.42 116.44 1uhj h ASP 114 Ca -0.00 0.00 -0.21 0.00 -0.00 0.00 0.00 57.03 56.82 1uhj h ASP 114 Cb 0.56 0.00 0.01 0.00 -0.00 0.00 0.00 39.33 39.90 1uhj h ASP 114 CO 0.04 0.17 -1.02 0.40 -0.00 0.00 0.00 179.24 178.83 1uhj h ILE 115 N 0.00 1.29 0.13 2.25 2.04 -1.15 -3.40 117.51 118.67 1uhj h ILE 115 Ca -0.00 -2.44 -0.28 0.00 1.00 0.00 0.00 64.86 63.14 1uhj h ILE 115 Cb 0.32 2.95 0.00 0.00 -0.74 0.00 0.00 36.82 39.35 1uhj h ILE 115 CO 0.02 0.67 -1.29 0.58 0.00 0.00 0.00 178.15 178.13 1uhj h VAL 116 N -0.45 1.44 -3.28 1.67 2.07 -1.14 -3.42 116.25 113.14 1uhj h VAL 116 Ca -0.21 -3.02 -0.58 0.00 0.82 0.00 0.00 66.70 63.71 1uhj h VAL 116 Cb 1.61 2.91 -0.09 0.00 -1.52 0.00 0.00 31.29 34.20 1uhj h VAL 116 CO 0.07 0.88 0.81 -0.62 0.02 0.00 0.00 177.57 178.73 1uhj s ASP 117 N -7.11 6.43 0.57 0.57 2.15 -0.36 -4.88 116.67 114.04 1uhj s ASP 117 Ca -0.05 -0.01 0.27 0.00 0.43 0.00 0.00 52.55 53.20 1uhj s ASP 117 Cb 0.07 -2.51 1.52 0.00 -0.30 0.00 0.00 42.92 41.70 1uhj s ASP 117 CO 0.88 -1.35 2.01 0.50 -0.17 0.00 0.00 175.17 177.04 1uhj h LYS 118 N 9.41 0.00 -0.01 4.34 3.64 -1.87 -1.36 116.57 130.72 1uhj h LYS 118 Ca -0.25 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1uhj h LYS 118 Cb 1.06 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.88 1uhj h LYS 118 CO 1.14 0.00 -0.27 -0.25 -2.27 0.00 0.00 179.45 177.79 1uhj n ASP 119 N -3.97 1.08 -4.02 4.20 8.00 -1.26 -4.99 116.55 115.58 1uhj n ASP 119 Ca 0.06 -0.92 -0.28 0.00 0.71 0.00 0.00 54.79 54.36 1uhj n ASP 119 Cb 0.51 0.16 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 1uhj n ASP 119 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1uhj n GLN 120 N -0.62 -3.15 -0.15 -1.24 6.02 -0.51 -4.89 117.38 112.84 1uhj n GLN 120 Ca 0.12 0.38 0.08 0.00 -0.01 0.00 0.00 57.00 57.57 1uhj n GLN 120 Cb 0.35 -4.57 0.11 0.00 1.02 0.00 0.00 30.24 27.15 1uhj n GLN 120 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1uhj n ASN 121 N -2.92 1.89 -0.03 1.08 3.02 -1.26 -5.00 115.26 112.03 1uhj n ASN 121 Ca -0.24 -2.84 -0.00 0.00 -0.03 0.00 0.00 54.58 51.46 1uhj n ASN 121 Cb 0.65 -0.37 -0.00 0.00 -0.61 0.00 0.00 39.78 39.45 1uhj n ASN 121 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1uhj n GLY 122 N -1.14 0.38 3.37 7.41 0.00 -1.26 -5.01 105.19 108.94 1uhj n GLY 122 Ca 0.12 -0.96 -0.15 0.00 0.00 0.00 0.00 46.02 45.04 1uhj n GLY 122 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhj s ALA 123 N -2.01 -1.20 0.09 4.61 0.00 -1.26 -1.30 121.76 120.69 1uhj s ALA 123 Ca 0.00 0.97 0.09 0.00 0.00 0.00 0.00 51.96 53.02 1uhj s ALA 123 Cb 0.00 -0.26 -0.03 0.00 0.00 0.00 0.00 23.12 22.83 1uhj s ALA 123 CO 0.00 -0.28 -0.23 0.96 0.00 0.00 0.00 175.76 176.21 1uhj s ILE 124 N -0.73 1.92 0.83 0.00 -4.36 -0.77 -4.62 121.20 113.48 1uhj s ILE 124 Ca -0.08 -1.51 -0.12 0.00 -0.26 0.00 0.00 60.65 58.68 1uhj s ILE 124 Cb -0.03 -1.70 0.09 0.00 1.25 0.00 0.00 42.46 42.06 1uhj s ILE 124 CO 0.05 0.10 1.15 0.42 0.24 0.00 0.00 174.94 176.89 1uhj s THR 125 N -1.01 2.30 0.20 8.37 -4.23 -1.26 -0.50 115.64 119.50 1uhj s THR 125 Ca 0.10 0.10 -0.11 0.00 -1.18 0.00 0.00 61.69 60.60 1uhj s THR 125 Cb -0.10 -2.99 0.13 0.00 1.34 0.00 0.00 72.50 70.88 1uhj s THR 125 CO 0.04 -0.13 1.81 0.25 -0.54 0.00 0.00 174.62 176.06 1uhj h LEU 126 N -1.15 0.87 -1.19 4.79 5.85 -1.99 -1.63 115.31 120.86 1uhj h LEU 126 Ca -0.47 -0.10 -0.01 0.00 0.84 0.00 0.00 57.88 58.14 1uhj h LEU 126 Cb 1.31 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.09 1uhj h LEU 126 CO 0.64 0.72 0.40 0.44 -0.34 0.00 0.00 178.44 180.30 1uhj h ASP 127 N 0.96 0.85 -0.45 1.25 3.32 -1.98 -0.03 116.42 120.33 1uhj h ASP 127 Ca 0.25 -0.06 -0.13 0.00 0.02 0.00 0.00 57.03 57.11 1uhj h ASP 127 Cb 0.04 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1uhj h ASP 127 CO -0.04 0.67 -0.22 -0.33 -1.72 0.00 0.00 179.24 177.60 1uhj h GLU 128 N 0.97 0.97 -0.50 3.56 5.08 -1.82 -1.31 114.58 121.53 1uhj h GLU 128 Ca 0.25 -0.41 -0.09 0.00 -1.00 0.00 0.00 59.36 58.11 1uhj h GLU 128 Cb -0.01 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.19 1uhj h GLU 128 CO -0.04 1.08 -0.06 2.35 -1.00 0.00 0.00 179.01 181.33 1uhj h TRP 129 N 0.83 0.98 -0.49 4.33 -0.00 -0.61 -1.27 115.95 119.72 1uhj h TRP 129 Ca 0.11 -0.17 -0.01 0.00 -0.00 0.00 0.00 58.89 58.82 1uhj h TRP 129 Cb 0.79 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.67 1uhj h TRP 129 CO 0.05 0.92 0.28 0.87 -0.00 0.00 0.00 178.44 180.56 1uhj h LYS 130 N 0.81 0.68 -0.61 2.65 1.57 -0.95 -0.55 116.57 120.17 1uhj h LYS 130 Ca 0.14 -0.07 -0.05 0.00 -1.87 0.00 0.00 60.65 58.80 1uhj h LYS 130 Cb 0.57 -0.14 -0.03 0.00 0.08 0.00 0.00 32.23 32.72 1uhj h LYS 130 CO 0.03 0.51 0.19 0.00 -0.57 0.00 0.00 179.45 179.62 1uhj h ALA 131 N 1.13 0.80 0.26 3.86 0.00 -0.69 -1.75 119.26 122.86 1uhj h ALA 131 Ca 0.17 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1uhj h ALA 131 Cb 0.02 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.58 1uhj h ALA 131 CO -0.03 0.47 -0.12 -0.92 0.00 0.00 0.00 179.25 178.65 1uhj h TYR 132 N 0.88 -0.32 -0.03 0.00 3.20 -1.09 -2.33 116.97 117.27 1uhj h TYR 132 Ca 0.20 -0.01 -0.11 0.00 3.14 0.00 0.00 58.73 61.95 1uhj h TYR 132 Cb 0.29 0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.65 1uhj h TYR 132 CO 0.02 0.05 -0.47 1.79 -1.64 0.00 0.00 178.16 177.90 1uhj h THR 133 N -0.84 1.34 -0.01 1.81 1.35 -1.09 -0.55 112.91 114.92 1uhj h THR 133 Ca -0.04 -1.65 -0.22 0.00 -0.55 0.00 0.00 66.41 63.96 1uhj h THR 133 Cb 0.51 1.85 0.00 0.00 -1.73 0.00 0.00 68.15 68.78 1uhj h THR 133 CO 0.06 0.48 -0.92 0.11 -0.25 0.00 0.00 175.52 174.99 1uhj h LYS 134 N 0.06 0.43 -0.34 4.72 1.57 -1.34 0.25 116.57 121.92 1uhj h LYS 134 Ca 0.00 -0.45 -0.01 0.00 -1.87 0.00 0.00 60.65 58.32 1uhj h LYS 134 Cb 0.86 0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.28 1uhj h LYS 134 CO 0.07 1.10 0.16 0.00 -0.57 0.00 0.00 179.45 180.21 1uhj h ALA 135 N 0.74 0.44 -0.22 3.86 0.00 -1.04 -2.98 119.26 120.06 1uhj h ALA 135 Ca -0.08 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.66 1uhj h ALA 135 Cb 1.55 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 19.19 1uhj h ALA 135 CO 0.16 -0.00 -0.20 0.00 0.00 0.00 0.00 179.25 179.21 1uhj h ALA 136 N 1.02 1.26 0.00 0.00 0.00 -1.08 -3.47 119.26 116.98 1uhj h ALA 136 Ca 0.12 -0.29 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1uhj h ALA 136 Cb 0.12 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1uhj h ALA 136 CO -0.01 0.49 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1uhj n GLY 137 N -0.57 0.94 0.22 0.00 0.00 0.83 -4.96 105.19 101.65 1uhj n GLY 137 Ca -0.00 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.07 1uhj n GLY 137 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 1uhj h ILE 138 N 0.00 1.14 -3.93 -0.61 2.10 -1.73 -3.39 117.51 111.09 1uhj h ILE 138 Ca 0.00 -0.77 -0.57 0.00 1.08 0.00 0.00 64.86 64.60 1uhj h ILE 138 Cb 0.00 1.42 -0.31 0.00 -1.09 0.00 0.00 36.82 36.84 1uhj h ILE 138 CO 0.00 0.22 -0.84 -0.63 -1.08 0.00 0.00 178.15 175.82 1uhj s ILE 139 N -4.51 1.48 -0.23 2.19 1.01 -1.17 -4.66 121.20 115.29 1uhj s ILE 139 Ca -0.04 -0.75 -0.02 0.00 0.00 0.00 0.00 60.65 59.85 1uhj s ILE 139 Cb 0.15 -1.26 -0.18 0.00 0.01 0.00 0.00 42.46 41.17 1uhj s ILE 139 CO 0.70 0.42 -0.12 0.00 0.00 0.00 0.00 174.94 175.95 1uhj n GLN 140 N 3.10 0.66 -3.97 2.79 1.13 -1.26 -3.45 117.38 116.38 1uhj n GLN 140 Ca -0.18 0.19 -0.30 0.00 -1.94 0.00 0.00 57.00 54.77 1uhj n GLN 140 Cb 0.53 -1.56 -0.05 0.00 0.11 0.00 0.00 30.24 29.27 1uhj n GLN 140 CO 0.00 0.00 0.00 -1.54 -1.44 0.00 0.00 177.06 174.08 1uhj s SER 141 N -6.72 6.04 0.32 1.08 1.04 -1.26 -4.96 113.70 109.24 1uhj s SER 141 Ca -0.33 0.15 0.01 0.00 0.48 0.00 0.00 55.95 56.26 1uhj s SER 141 Cb 0.09 -1.77 0.55 0.00 0.10 0.00 0.00 66.02 64.98 1uhj s SER 141 CO 0.62 0.15 1.94 0.28 0.98 0.00 0.00 173.24 177.22 1uhj h SER 142 N 3.01 0.75 -0.35 7.02 0.02 -2.00 -2.69 113.55 119.31 1uhj h SER 142 Ca -0.46 -0.06 -0.04 0.00 -0.84 0.00 0.00 61.79 60.39 1uhj h SER 142 Cb 1.17 -0.19 -0.02 0.00 0.14 0.00 0.00 62.40 63.50 1uhj h SER 142 CO 0.71 0.61 0.09 -0.08 -1.14 0.00 0.00 176.83 177.03 1uhj h GLU 143 N 0.84 0.63 -0.17 3.45 4.81 -1.99 0.04 114.58 122.19 1uhj h GLU 143 Ca 0.21 -0.12 -0.21 0.00 -0.13 0.00 0.00 59.36 59.12 1uhj h GLU 143 Cb 0.04 -0.10 0.01 0.00 0.63 0.00 0.00 28.75 29.33 1uhj h GLU 143 CO -0.03 0.59 -0.73 -0.44 -0.73 0.00 0.00 179.01 177.66 1uhj h ASP 144 N 0.62 0.90 -0.71 1.04 3.32 -1.83 -2.27 116.42 117.49 1uhj h ASP 144 Ca 0.14 -0.57 0.00 0.00 0.02 0.00 0.00 57.03 56.62 1uhj h ASP 144 Cb 0.25 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.50 1uhj h ASP 144 CO -0.00 1.36 0.45 0.00 -1.72 0.00 0.00 179.24 179.33 1uhj h GLU 146 N 0.98 0.24 -0.13 0.00 5.08 -0.82 -2.59 114.58 117.34 1uhj h GLU 146 Ca 0.26 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.49 1uhj h GLU 146 Cb -0.07 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 1uhj h GLU 146 CO -0.05 0.48 -0.14 1.49 -1.00 0.00 0.00 179.01 179.78 1uhj h GLU 147 N 0.22 0.21 -0.34 2.33 4.81 -0.75 -2.48 114.58 118.58 1uhj h GLU 147 Ca 0.04 -0.05 0.06 0.00 -0.13 0.00 0.00 59.36 59.28 1uhj h GLU 147 Cb 0.56 -0.03 -0.06 0.00 0.63 0.00 0.00 28.75 29.85 1uhj h GLU 147 CO 0.04 0.36 -0.01 1.15 -0.73 0.00 0.00 179.01 179.81 1uhj h THR 148 N 0.20 0.73 0.00 0.32 2.02 -1.33 -1.28 112.91 113.57 1uhj h THR 148 Ca 0.04 -0.03 -0.02 0.00 0.77 0.00 0.00 66.41 67.17 1uhj h THR 148 Cb 0.38 0.64 -0.00 0.00 -1.74 0.00 0.00 68.15 67.43 1uhj h THR 148 CO 0.02 0.01 -0.10 -0.26 0.37 0.00 0.00 175.52 175.57 1uhj h PHE 149 N 0.08 0.00 -0.22 3.16 0.04 -1.52 -0.85 116.94 117.63 1uhj h PHE 149 Ca 0.17 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.77 1uhj h PHE 149 Cb 0.23 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.39 1uhj h PHE 149 CO -0.25 0.10 -0.52 -0.09 -0.60 0.00 0.00 178.31 176.94 1uhj h ARG 150 N 0.00 0.74 -0.07 1.51 2.43 -0.96 -3.36 114.38 114.67 1uhj h ARG 150 Ca -0.00 -0.50 -0.21 0.00 -0.81 0.00 0.00 59.98 58.46 1uhj h ARG 150 Cb 0.55 0.07 0.01 0.00 -0.42 0.00 0.00 29.97 30.19 1uhj h ARG 150 CO 0.01 1.12 -0.77 0.28 -1.51 0.00 0.00 179.97 179.10 1uhj h VAL 151 N 0.46 1.32 -4.01 0.20 2.07 -0.81 -3.45 116.25 112.03 1uhj h VAL 151 Ca -0.00 -2.04 -0.47 0.00 0.82 0.00 0.00 66.70 65.00 1uhj h VAL 151 Cb 1.13 2.26 0.02 0.00 -1.52 0.00 0.00 31.29 33.18 1uhj h VAL 151 CO 0.11 0.63 0.39 0.00 0.02 0.00 0.00 177.57 178.72 1uhj s ASP 153 N -1.79 6.20 0.16 0.00 2.15 -1.26 -4.87 116.67 117.25 1uhj s ASP 153 Ca 0.62 0.93 -0.15 0.00 0.43 0.00 0.00 52.55 54.38 1uhj s ASP 153 Cb -0.18 -2.54 -0.07 0.00 -0.30 0.00 0.00 42.92 39.83 1uhj s ASP 153 CO 0.23 -1.53 0.57 -0.63 -0.17 0.00 0.00 175.17 173.64 1uhj s ILE 154 N 5.88 4.82 0.76 4.11 -1.09 -1.26 -4.75 121.20 129.67 1uhj s ILE 154 Ca 0.66 0.88 -0.12 0.00 -2.23 0.00 0.00 60.65 59.85 1uhj s ILE 154 Cb -0.16 -3.75 0.17 0.00 -1.58 0.00 0.00 42.46 37.14 1uhj s ILE 154 CO 0.33 0.24 1.03 -0.90 -1.23 0.00 0.00 174.94 174.41 1uhj n ASP 155 N 0.79 0.19 0.29 3.58 3.85 0.13 -4.89 116.55 120.49 1uhj n ASP 155 Ca -0.05 -1.44 0.19 0.00 -0.71 0.00 0.00 54.79 52.77 1uhj n ASP 155 Cb 0.52 -0.78 0.83 0.00 -1.35 0.00 0.00 41.12 40.34 1uhj n ASP 155 CO 0.00 0.00 0.00 -0.33 -1.01 0.00 0.00 177.20 175.86 1uhj h GLU 156 N 0.00 0.00 -0.70 0.11 3.07 -1.98 -1.55 114.58 113.52 1uhj h GLU 156 Ca -0.33 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.53 1uhj h GLU 156 Cb 0.95 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.86 1uhj h GLU 156 CO 0.25 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.73 1uhj n SER 157 N -3.07 3.85 -0.16 1.42 3.41 -1.26 -4.95 113.62 112.86 1uhj n SER 157 Ca -0.00 -2.00 -0.02 0.00 -0.26 0.00 0.00 58.87 56.59 1uhj n SER 157 Cb 0.24 -0.47 -0.01 0.00 -0.26 0.00 0.00 64.21 63.71 1uhj n SER 157 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1uhj n GLY 158 N 1.65 0.55 3.77 5.00 0.00 -0.58 -5.06 105.19 110.52 1uhj n GLY 158 Ca 0.24 -0.80 -0.24 0.00 0.00 0.00 0.00 46.02 45.21 1uhj n GLY 158 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1uhj s GLN 159 N -1.87 2.77 -0.40 1.61 -0.21 -1.26 -4.56 119.66 115.74 1uhj s GLN 159 Ca 0.00 -1.03 -0.15 0.00 0.02 0.00 0.00 55.36 54.20 1uhj s GLN 159 Cb 0.00 -2.52 0.02 0.00 1.00 0.00 0.00 33.01 31.51 1uhj s GLN 159 CO 0.00 0.44 0.29 -1.17 -2.12 0.00 0.00 175.29 172.72 1uhj s LEU 160 N -3.42 5.04 0.36 2.90 0.20 0.34 -0.69 118.68 123.41 1uhj s LEU 160 Ca 0.31 -0.88 -0.25 0.00 0.69 0.00 0.00 54.13 54.00 1uhj s LEU 160 Cb -0.09 -2.15 -0.10 0.00 -0.43 0.00 0.00 46.19 43.43 1uhj s LEU 160 CO 0.23 -0.43 0.98 -0.62 -0.29 0.00 0.00 176.35 176.21 1uhj s ASP 161 N 1.67 7.11 0.46 3.68 -1.08 -1.26 -1.84 116.67 125.41 1uhj s ASP 161 Ca 0.05 1.88 0.14 0.00 -0.52 0.00 0.00 52.55 54.09 1uhj s ASP 161 Cb -0.19 -2.58 1.08 0.00 -1.46 0.00 0.00 42.92 39.77 1uhj s ASP 161 CO 0.10 -0.23 2.04 1.62 0.52 0.00 0.00 175.17 179.21 1uhj h VAL 162 N 2.39 0.95 -0.38 1.11 3.04 -1.59 -2.30 116.25 119.47 1uhj h VAL 162 Ca -0.48 -0.11 -0.08 0.00 -1.01 0.00 0.00 66.70 65.02 1uhj h VAL 162 Cb 1.20 0.61 -0.01 0.00 -2.01 0.00 0.00 31.29 31.07 1uhj h VAL 162 CO 0.64 0.06 -0.09 0.44 -1.01 0.00 0.00 177.57 177.60 1uhj h ASP 163 N 0.32 0.74 0.00 3.17 3.32 -1.93 -0.74 116.42 121.30 1uhj h ASP 163 Ca 0.18 -0.36 0.00 0.00 0.02 0.00 0.00 57.03 56.87 1uhj h ASP 163 Cb 0.33 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.68 1uhj h ASP 163 CO -0.04 0.93 0.00 1.21 -1.72 0.00 0.00 179.24 179.62 1uhj n GLU 164 N -4.37 0.21 0.00 3.56 4.07 -0.87 -2.32 120.64 120.93 1uhj n GLU 164 Ca -0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.08 1uhj n GLU 164 Cb 0.35 -1.30 0.00 0.00 -0.06 0.00 0.00 31.44 30.43 1uhj n GLU 164 CO 0.00 0.00 0.00 2.41 -0.06 0.00 0.00 177.13 179.48 1uhj n THR 166 N 0.74 0.00 -0.25 6.31 -1.04 -0.28 -1.54 114.28 118.21 1uhj n THR 166 Ca 0.00 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.99 1uhj n THR 166 Cb 0.09 0.00 0.17 0.00 -1.82 0.00 0.00 70.33 68.77 1uhj n THR 166 CO 0.00 0.00 0.00 0.03 -0.64 0.00 0.00 175.07 174.46 1uhj h ARG 167 N 0.00 1.07 -0.28 -2.82 3.08 -1.72 -1.35 114.38 112.36 1uhj h ARG 167 Ca 0.00 -0.11 -0.17 0.00 0.07 0.00 0.00 59.98 59.77 1uhj h ARG 167 Cb 0.00 -0.22 0.00 0.00 0.08 0.00 0.00 29.97 29.83 1uhj h ARG 167 CO 0.00 0.78 -0.49 1.96 -1.07 0.00 0.00 179.97 181.15 1uhj h GLN 168 N 1.08 0.82 -0.83 0.04 1.08 -1.57 -2.95 115.11 112.78 1uhj h GLN 168 Ca 0.28 -0.51 0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1uhj h GLN 168 Cb 0.01 0.06 -0.05 0.00 -0.05 0.00 0.00 27.48 27.44 1uhj h GLN 168 CO -0.05 1.15 0.54 0.45 -0.95 0.00 0.00 178.83 179.97 1uhj h HIS 169 N 0.59 0.96 -0.55 2.96 3.86 -1.76 0.14 115.15 121.35 1uhj h HIS 169 Ca 0.02 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.25 1uhj h HIS 169 Cb 1.10 -0.32 -0.03 0.00 1.06 0.00 0.00 27.41 29.22 1uhj h HIS 169 CO 0.08 0.52 0.34 -0.07 0.86 0.00 0.00 177.93 179.66 1uhj h LEU 170 N 0.96 0.66 -0.60 2.43 3.38 -1.11 0.20 115.31 121.24 1uhj h LEU 170 Ca 0.35 -0.05 -0.15 0.00 0.09 0.00 0.00 57.88 58.12 1uhj h LEU 170 Cb 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 1uhj h LEU 170 CO -0.12 0.52 -0.49 1.23 0.09 0.00 0.00 178.44 179.67 1uhj h GLY 171 N 0.74 0.57 0.25 0.83 0.00 -1.29 -1.55 103.07 102.62 1uhj h GLY 171 Ca 0.20 -0.63 -0.18 0.00 0.00 0.00 0.00 47.33 46.72 1uhj h GLY 171 CO -0.04 0.57 -0.94 -2.75 0.00 0.00 0.00 176.54 173.38 1uhj h PHE 172 N 0.42 0.20 0.00 5.60 3.57 -0.44 -1.93 116.94 124.36 1uhj h PHE 172 Ca 0.02 -0.15 -0.26 0.00 3.53 0.00 0.00 57.97 61.11 1uhj h PHE 172 Cb 1.01 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 39.70 1uhj h PHE 172 CO 0.04 1.37 -1.66 0.91 -2.23 0.00 0.00 178.31 176.74 1uhj n TRP 173 N -4.27 0.95 -0.07 0.41 5.03 0.69 -4.66 117.44 115.52 1uhj n TRP 173 Ca -0.22 0.34 -0.08 0.00 3.03 0.00 0.00 57.50 60.57 1uhj n TRP 173 Cb 0.72 -1.15 -0.09 0.00 -1.03 0.00 0.00 31.31 29.76 1uhj n TRP 173 CO 0.00 0.00 0.00 0.66 -0.03 0.00 0.00 177.69 178.32 1uhj n TYR 174 N -2.99 0.00 0.00 -5.99 0.53 -0.67 -5.02 117.16 103.01 1uhj n TYR 174 Ca -0.16 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.72 1uhj n TYR 174 Cb 1.00 -0.62 0.00 0.00 -1.03 0.00 0.00 39.34 38.69 1uhj n TYR 174 CO 0.00 0.00 0.00 0.25 -1.02 0.00 0.00 176.86 176.09 1uhj n THR 175 N -2.66 0.00 -3.59 -0.72 -2.24 -0.67 -4.33 114.28 100.06 1uhj n THR 175 Ca -0.24 0.00 -0.01 0.00 -2.27 0.00 0.00 64.05 61.53 1uhj n THR 175 Cb 0.87 -0.38 -0.04 0.00 -2.10 0.00 0.00 70.33 68.67 1uhj n THR 175 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1uhj s ASP 177 N 1.00 -0.97 0.61 3.42 -1.08 -0.72 -4.40 116.67 114.51 1uhj s ASP 177 Ca 0.00 1.37 0.32 0.00 -0.52 0.00 0.00 52.55 53.72 1uhj s ASP 177 Cb 0.00 2.02 1.86 0.00 -1.46 0.00 0.00 42.92 45.34 1uhj s ASP 177 CO 0.00 -0.19 2.22 -0.65 0.52 0.00 0.00 175.17 177.06 1uhj h PRO 178 N 7.69 0.00 0.00 4.34 0.11 -2.01 -1.68 132.00 140.45 1uhj h PRO 178 Ca -0.19 0.00 -0.00 0.00 0.11 0.00 0.00 66.00 65.91 1uhj h PRO 178 Cb 1.12 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1uhj h PRO 178 CO 0.11 0.00 -0.02 0.00 -0.21 0.00 0.00 178.00 177.88 1uhj h ALA 179 N 1.91 1.00 -0.67 -0.75 0.00 -2.02 -2.98 119.26 115.75 1uhj h ALA 179 Ca 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1uhj h ALA 179 Cb 0.17 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1uhj h ALA 179 CO -0.00 0.02 0.00 0.00 0.00 0.00 0.00 179.25 179.27 1uhj s GLU 181 N -1.05 3.24 -1.30 0.00 0.41 -1.13 -3.03 118.70 115.84 1uhj s GLU 181 Ca 0.46 2.06 0.00 0.00 -0.41 0.00 0.00 54.97 57.08 1uhj s GLU 181 Cb 0.24 -2.23 0.00 0.00 -1.78 0.00 0.00 34.13 30.36 1uhj s GLU 181 CO 0.32 -1.06 0.00 1.63 -0.49 0.00 0.00 175.26 175.66 1uhj n LYS 182 N -1.01 -1.00 -0.09 1.61 5.02 -1.26 -4.91 118.16 116.52 1uhj n LYS 182 Ca 0.10 0.82 0.10 0.00 -2.02 0.00 0.00 58.31 57.31 1uhj n LYS 182 Cb 0.46 -4.98 0.46 0.00 -0.02 0.00 0.00 35.03 30.96 1uhj n LYS 182 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1uhj h LEU 183 N 0.00 0.44 -3.56 -0.35 7.12 -1.87 -0.07 115.31 117.03 1uhj h LEU 183 Ca -0.30 0.01 -0.24 0.00 0.13 0.00 0.00 57.88 57.48 1uhj h LEU 183 Cb 1.04 -0.09 -0.15 0.00 -0.53 0.00 0.00 40.66 40.94 1uhj h LEU 183 CO 0.39 0.28 0.17 -1.22 -0.13 0.00 0.00 178.44 177.93 1uhj n TYR 184 N -4.48 1.77 -4.85 1.25 4.02 -1.26 -3.51 117.16 110.10 1uhj n TYR 184 Ca 0.09 -1.50 0.00 0.00 -0.01 0.00 0.00 57.90 56.48 1uhj n TYR 184 Cb 0.30 -0.61 0.00 0.00 -0.02 0.00 0.00 39.34 39.01 1uhj n TYR 184 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1uhj n GLY 185 N -0.90 2.13 0.00 2.72 0.00 -0.04 -1.78 105.19 107.32 1uhj n GLY 185 Ca 0.39 -0.46 0.14 0.00 0.00 0.00 0.00 46.02 46.09 1uhj n GLY 185 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1uhj n GLY 186 N 0.00 -1.08 0.25 -0.02 0.00 -1.26 -4.17 105.19 98.91 1uhj n GLY 186 Ca 0.00 -0.14 -0.03 0.00 0.00 0.00 0.00 46.02 45.85 1uhj n GLY 186 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1uhj h ALA 187 N 3.45 1.16 -3.21 4.61 0.00 -1.67 -3.40 119.26 120.20 1uhj h ALA 187 Ca 0.00 -0.31 -0.51 0.00 0.00 0.00 0.00 54.91 54.09 1uhj h ALA 187 Cb 0.17 -0.13 -0.37 0.00 0.00 0.00 0.00 17.79 17.45 1uhj h ALA 187 CO 0.00 0.53 -0.79 0.08 0.00 0.00 0.00 179.25 179.07 1uhj s VAL 188 N -4.62 0.90 -2.00 0.00 1.01 -1.25 -4.99 120.40 109.45 1uhj s VAL 188 Ca -0.07 -0.25 0.20 0.00 0.00 0.00 0.00 61.98 61.86 1uhj s VAL 188 Cb 0.14 -0.97 0.57 0.00 0.00 0.00 0.00 36.38 36.12 1uhj s VAL 188 CO 0.78 0.31 1.59 -0.81 0.00 0.00 0.00 175.10 176.97