#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1uhj h ASN 0 N 0.00 0.00 -3.71 0.00 2.35 -1.98 -3.45 115.58 108.79 1uhj h ASN 0 Ca 0.00 0.00 -0.39 0.00 -0.55 0.00 0.00 56.30 55.36 1uhj h ASN 0 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 1uhj h ASN 0 CO 0.00 0.00 -0.73 -0.44 -1.65 0.00 0.00 177.43 174.61 1uhj s SER 1 N -5.44 2.11 -0.39 5.81 0.01 -1.26 -5.12 113.70 109.41 1uhj s SER 1 Ca 0.07 -0.98 -0.11 0.00 1.31 0.00 0.00 55.95 56.23 1uhj s SER 1 Cb 0.08 -0.07 0.04 0.00 0.21 0.00 0.00 66.02 66.29 1uhj s SER 1 CO 0.60 -0.24 0.24 -0.54 0.41 0.00 0.00 173.24 173.70 1uhj s LYS 2 N -3.52 2.80 -0.13 12.44 1.02 -1.26 -4.97 119.74 126.12 1uhj s LYS 2 Ca 0.17 -1.17 0.01 0.00 0.02 0.00 0.00 55.97 55.01 1uhj s LYS 2 Cb 0.00 -3.79 -0.01 0.00 -0.52 0.00 0.00 37.83 33.51 1uhj s LYS 2 CO 0.03 -0.78 -0.17 -0.51 -0.92 0.00 0.00 175.35 173.00 1uhj s LEU 3 N 1.55 2.45 0.08 3.17 2.01 -1.26 -5.11 118.68 121.56 1uhj s LEU 3 Ca 0.02 -0.45 0.03 0.00 0.01 0.00 0.00 54.13 53.75 1uhj s LEU 3 Cb -0.20 -1.54 -0.03 0.00 0.01 0.00 0.00 46.19 44.43 1uhj s LEU 3 CO 0.06 0.13 -0.09 0.28 1.01 0.00 0.00 176.35 177.74 1uhj s THR 4 N 0.52 0.78 0.62 5.49 -1.32 -1.26 -5.00 115.64 115.47 1uhj s THR 4 Ca -0.11 -1.48 -0.12 0.00 -1.21 0.00 0.00 61.69 58.77 1uhj s THR 4 Cb -0.16 -1.14 -0.03 0.00 -1.51 0.00 0.00 72.50 69.65 1uhj s THR 4 CO 0.04 -0.53 1.03 -0.94 -2.21 0.00 0.00 174.62 172.02 1uhj s SER 5 N -2.20 6.05 -0.40 8.08 1.04 -1.26 -4.60 113.70 120.41 1uhj s SER 5 Ca 0.01 1.53 0.10 0.00 0.48 0.00 0.00 55.95 58.06 1uhj s SER 5 Cb -0.04 -2.49 0.33 0.00 0.10 0.00 0.00 66.02 63.92 1uhj s SER 5 CO -0.01 -0.99 0.80 -0.67 0.98 0.00 0.00 173.24 173.36 1uhj n ASP 6 N -2.59 -0.07 0.22 7.02 4.64 -1.26 -5.01 116.55 119.50 1uhj n ASP 6 Ca 0.07 -3.15 0.10 0.00 -1.38 0.00 0.00 54.79 50.43 1uhj n ASP 6 Cb 0.54 0.04 0.43 0.00 -1.04 0.00 0.00 41.12 41.08 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 3.13 0.00 -0.00 -0.67 0.05 -1.95 -2.57 116.94 114.93 1uhj h PHE 7 Ca 0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1uhj h PHE 7 Cb 0.99 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.94 1uhj h PHE 7 CO 0.41 0.21 -0.09 -0.25 -0.18 0.00 0.00 178.31 178.40 1uhj n ASP 8 N -3.33 0.27 -4.64 2.17 8.00 -1.26 -4.61 116.55 113.14 1uhj n ASP 8 Ca 0.01 -0.28 -0.43 0.00 0.71 0.00 0.00 54.79 54.80 1uhj n ASP 8 Cb 0.45 -0.17 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 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 -2.61 6.52 0.61 -2.24 3.84 -0.97 -4.87 114.94 115.21 1uhj s ASN 9 Ca 0.25 1.92 0.31 0.00 0.21 0.00 0.00 52.86 55.55 1uhj s ASN 9 Cb 0.20 -2.53 1.71 0.00 -0.55 0.00 0.00 41.25 40.08 1uhj s ASN 9 CO 0.50 -1.10 2.06 1.55 -2.79 0.00 0.00 177.10 177.32 1uhj h PRO 10 N 10.17 0.00 0.00 0.43 0.13 -1.90 -0.79 132.00 140.04 1uhj h PRO 10 Ca -0.36 0.00 -0.12 0.00 -0.87 0.00 0.00 66.00 64.65 1uhj h PRO 10 Cb 1.16 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1uhj h PRO 10 CO 0.98 0.00 -0.59 0.00 -0.23 0.00 0.00 178.00 178.15 1uhj h ARG 11 N 0.00 0.00 -0.04 0.86 3.08 -1.95 -0.34 114.38 116.00 1uhj h ARG 11 Ca 0.08 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.10 1uhj h ARG 11 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.63 1uhj h ARG 11 CO -0.00 0.59 -0.08 2.35 -1.07 0.00 0.00 179.97 181.76 1uhj h TRP 12 N 0.00 0.15 -0.65 3.04 7.01 -1.45 -1.91 115.95 122.14 1uhj h TRP 12 Ca -0.01 -0.06 0.03 0.00 2.11 0.00 0.00 58.89 60.97 1uhj h TRP 12 Cb 1.21 -0.03 -0.04 0.00 -2.10 0.00 0.00 29.16 28.20 1uhj h TRP 12 CO 0.00 0.68 0.39 0.82 -2.79 0.00 0.00 178.44 177.54 1uhj h ILE 13 N -0.42 1.06 -0.02 2.65 2.04 -1.42 -2.74 117.51 118.66 1uhj h ILE 13 Ca 0.00 -0.26 -0.11 0.00 1.00 0.00 0.00 64.86 65.49 1uhj h ILE 13 Cb 0.67 0.23 -0.01 0.00 -0.74 0.00 0.00 36.82 36.97 1uhj h ILE 13 CO 0.02 0.14 -0.51 1.23 0.00 0.00 0.00 178.15 179.03 1uhj h GLY 14 N 0.76 0.06 0.96 5.37 0.00 -1.08 -0.06 103.07 109.08 1uhj h GLY 14 Ca 0.27 -0.07 -0.01 0.00 0.00 0.00 0.00 47.33 47.52 1uhj h GLY 14 CO -0.12 0.06 0.16 -0.09 0.00 0.00 0.00 176.54 176.56 1uhj h ARG 15 N 0.05 0.42 0.00 4.80 2.43 -1.05 0.15 114.38 121.17 1uhj h ARG 15 Ca -0.00 -0.05 -0.10 0.00 -0.81 0.00 0.00 59.98 59.02 1uhj h ARG 15 Cb 0.91 -0.08 -0.01 0.00 -0.42 0.00 0.00 29.97 30.37 1uhj h ARG 15 CO 0.07 0.36 -0.47 0.45 -1.51 0.00 0.00 179.97 178.87 1uhj h HIS 16 N 0.36 0.00 -0.25 2.20 3.86 -1.27 -3.05 115.15 117.00 1uhj h HIS 16 Ca 0.11 0.00 -0.15 0.00 -1.16 0.00 0.00 60.37 59.16 1uhj h HIS 16 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 1uhj h HIS 16 CO -0.03 0.47 -0.47 -0.22 0.86 0.00 0.00 177.93 178.54 1uhj h LYS 17 N 0.00 0.66 0.00 2.45 3.64 -0.74 -0.29 116.57 122.28 1uhj h LYS 17 Ca -0.00 -0.37 0.00 0.00 -1.27 0.00 0.00 60.65 59.00 1uhj h LYS 17 Cb 1.21 0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1uhj h LYS 17 CO 0.06 0.98 0.00 1.58 -2.27 0.00 0.00 179.45 179.80 1uhj n HIS 18 N -4.01 0.00 0.00 1.91 -0.00 0.02 -1.24 115.22 111.90 1uhj n HIS 18 Ca -0.03 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.15 1uhj n HIS 18 Cb 0.56 0.00 0.00 0.00 -0.12 0.00 0.00 29.99 30.43 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 0.22 0.00 -0.09 1.57 7.35 -0.12 -1.26 117.46 125.13 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 0.12 0.00 0.35 0.00 0.00 39.48 39.95 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 0.76 -0.20 -2.13 2.35 -1.44 0.14 115.58 115.06 1uhj h ASN 21 Ca 0.00 -0.24 -0.12 0.00 -0.55 0.00 0.00 56.30 55.39 1uhj h ASN 21 Cb 0.00 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.15 1uhj h ASN 21 CO 0.00 0.92 -0.29 0.15 -1.65 0.00 0.00 177.43 176.56 1uhj h PHE 22 N 0.69 0.80 0.00 1.19 3.57 -1.43 -2.89 116.94 118.87 1uhj h PHE 22 Ca 0.11 -0.20 -0.12 0.00 3.53 0.00 0.00 57.97 61.29 1uhj h PHE 22 Cb 0.63 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.16 1uhj h PHE 22 CO 0.03 0.91 -0.58 -0.07 -2.23 0.00 0.00 178.31 176.36 1uhj h LEU 23 N 0.60 0.00 -6.21 0.59 3.38 -1.69 -3.36 115.31 108.62 1uhj h LEU 23 Ca 0.07 0.00 -0.74 0.00 0.09 0.00 0.00 57.88 57.30 1uhj h LEU 23 Cb 0.80 0.00 -0.12 0.00 0.09 0.00 0.00 40.66 41.42 1uhj h LEU 23 CO 0.07 0.58 2.34 -0.67 0.09 0.00 0.00 178.44 180.85 1uhj n ASP 24 N -3.62 5.36 0.25 -0.43 2.03 0.44 -4.80 116.55 115.79 1uhj n ASP 24 Ca -0.00 -3.05 0.09 0.00 0.52 0.00 0.00 54.79 52.35 1uhj n ASP 24 Cb 0.63 -1.50 0.66 0.00 -0.72 0.00 0.00 41.12 40.19 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 3.62 0.87 -0.63 5.18 -1.51 -1.75 -1.08 116.25 120.95 1uhj h VAL 25 Ca 0.48 -0.37 0.00 0.00 -1.23 0.00 0.00 66.70 65.58 1uhj h VAL 25 Cb 0.58 1.21 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 1uhj h VAL 25 CO 1.66 0.10 0.00 0.59 -1.23 0.00 0.00 177.57 178.69 1uhj n ASN 26 N -4.12 5.01 -4.17 4.19 5.03 -1.26 -4.97 115.26 114.98 1uhj n ASN 26 Ca -0.03 -2.57 -0.30 0.00 0.87 0.00 0.00 54.58 52.56 1uhj n ASN 26 Cb 0.18 -0.61 -0.06 0.00 -1.02 0.00 0.00 39.78 38.27 1uhj n ASN 26 CO 0.00 0.00 0.00 1.57 -1.83 0.00 0.00 177.26 177.00 1uhj n HIS 27 N 1.01 -1.46 0.37 3.10 -0.00 -0.41 -4.88 115.22 112.94 1uhj n HIS 27 Ca 0.26 0.69 0.13 0.00 -0.00 0.00 0.00 57.72 58.81 1uhj n HIS 27 Cb 0.97 -3.16 0.37 0.00 -0.00 0.00 0.00 29.99 28.17 1uhj n HIS 27 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.34 175.43 1uhj h ASN 28 N -1.73 0.00 0.00 0.26 2.35 -1.93 -3.47 115.58 111.06 1uhj h ASN 28 Ca -0.64 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.11 1uhj h ASN 28 Cb 1.39 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.76 1uhj h ASN 28 CO 0.69 0.00 0.00 0.61 -1.65 0.00 0.00 177.43 177.08 1uhj n GLY 29 N 0.84 0.56 3.36 2.83 0.00 -1.26 -5.00 105.19 106.51 1uhj n GLY 29 Ca 0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.14 0.91 0.06 1.61 -2.85 -1.26 -3.82 119.74 114.23 1uhj s LYS 30 Ca 0.00 -0.16 0.03 0.00 -1.00 0.00 0.00 55.97 54.84 1uhj s LYS 30 Cb 0.00 0.41 -0.03 0.00 -2.06 0.00 0.00 37.83 36.15 1uhj s LYS 30 CO 0.00 -0.29 -0.09 0.96 0.10 0.00 0.00 175.35 176.03 1uhj s ILE 31 N -1.89 0.66 0.25 3.79 -4.36 -0.61 -4.85 121.20 114.20 1uhj s ILE 31 Ca -0.09 -1.29 0.10 0.00 -0.26 0.00 0.00 60.65 59.12 1uhj s ILE 31 Cb -0.02 -0.89 -0.05 0.00 1.25 0.00 0.00 42.46 42.76 1uhj s ILE 31 CO 0.02 -0.46 -0.10 -0.94 0.24 0.00 0.00 174.94 173.71 1uhj s SER 32 N -1.90 4.11 0.45 4.36 1.04 -1.26 0.46 113.70 120.97 1uhj s SER 32 Ca -0.04 -0.78 0.11 0.00 0.48 0.00 0.00 55.95 55.72 1uhj s SER 32 Cb -0.07 -0.61 1.02 0.00 0.10 0.00 0.00 66.02 66.46 1uhj s SER 32 CO -0.00 0.04 2.07 0.25 0.98 0.00 0.00 173.24 176.58 1uhj h LEU 33 N 2.23 0.23 -0.96 2.42 5.85 -1.71 -2.01 115.31 121.37 1uhj h LEU 33 Ca -0.43 -0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.33 1uhj h LEU 33 Cb 1.24 -0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.16 1uhj h LEU 33 CO 0.59 0.20 0.62 0.44 -0.34 0.00 0.00 178.44 179.95 1uhj h ASP 34 N 0.26 1.00 0.00 1.25 5.19 -1.90 -1.54 116.42 120.68 1uhj h ASP 34 Ca 0.07 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1uhj h ASP 34 Cb 0.04 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.34 1uhj h ASP 34 CO -0.01 0.66 0.00 -0.62 -3.12 0.00 0.00 179.24 176.15 1uhj n GLU 35 N -4.51 0.52 0.00 3.56 1.02 -0.76 -1.74 120.64 118.72 1uhj n GLU 35 Ca 0.14 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.28 1uhj n GLU 35 Cb 0.14 -1.25 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 1uhj n GLU 35 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1uhj n VAL 37 N 0.53 0.00 0.19 2.62 0.31 -0.58 -1.33 118.33 120.07 1uhj n VAL 37 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1uhj n VAL 37 Cb 0.20 0.00 -0.08 0.00 -0.91 0.00 0.00 33.84 33.06 1uhj n VAL 37 CO 0.00 0.00 0.00 0.22 -1.32 0.00 0.00 176.83 175.73 1uhj h TYR 38 N 0.00 -0.39 -0.43 3.52 3.20 -1.57 -2.20 116.97 119.10 1uhj h TYR 38 Ca 0.00 -0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.93 1uhj h TYR 38 Cb 0.00 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 38.34 1uhj h TYR 38 CO 0.00 -0.24 0.11 -0.22 -1.64 0.00 0.00 178.16 176.17 1uhj h LYS 39 N -0.41 0.24 -0.11 1.82 3.64 -1.47 0.69 116.57 120.96 1uhj h LYS 39 Ca -0.04 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1uhj h LYS 39 Cb 0.32 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.08 1uhj h LYS 39 CO 0.07 0.16 0.07 0.00 -2.27 0.00 0.00 179.45 177.47 1uhj h ALA 40 N 1.32 0.14 -0.14 5.00 0.00 -1.81 -2.09 119.26 121.69 1uhj h ALA 40 Ca 0.21 -0.03 -0.20 0.00 0.00 0.00 0.00 54.91 54.89 1uhj h ALA 40 Cb 0.24 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uhj h ALA 40 CO -0.26 -0.35 -0.71 0.77 0.00 0.00 0.00 179.25 178.70 1uhj h SER 41 N 0.11 0.71 -0.25 0.00 0.02 -1.22 -2.37 113.55 110.55 1uhj h SER 41 Ca 0.04 -0.45 0.04 0.00 -0.84 0.00 0.00 61.79 60.59 1uhj h SER 41 Cb 0.03 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 62.32 1uhj h SER 41 CO -0.01 1.21 -0.02 -0.78 -1.14 0.00 0.00 176.83 176.09 1uhj h ASP 42 N 0.42 -0.14 0.39 3.07 3.58 -0.71 0.47 116.42 123.50 1uhj h ASP 42 Ca -0.03 0.06 -0.01 0.00 0.42 0.00 0.00 57.03 57.47 1uhj h ASP 42 Cb 1.30 0.12 -0.02 0.00 1.72 0.00 0.00 39.33 42.45 1uhj h ASP 42 CO 0.14 -0.04 -0.33 0.40 -2.88 0.00 0.00 179.24 176.52 1uhj h ILE 43 N 0.05 0.31 -0.01 2.25 2.04 -1.26 0.78 117.51 121.66 1uhj h ILE 43 Ca 0.12 0.00 -0.20 0.00 1.00 0.00 0.00 64.86 65.77 1uhj h ILE 43 Cb 0.16 0.31 -0.00 0.00 -0.74 0.00 0.00 36.82 36.55 1uhj h ILE 43 CO -0.22 0.00 -0.87 -0.37 0.00 0.00 0.00 178.15 176.69 1uhj h VAL 44 N -0.73 1.43 0.09 1.67 -1.51 -1.30 -0.10 116.25 115.81 1uhj h VAL 44 Ca -0.03 -2.45 -0.15 0.00 -1.23 0.00 0.00 66.70 62.84 1uhj h VAL 44 Cb 0.64 2.37 0.01 0.00 -2.13 0.00 0.00 31.29 32.19 1uhj h VAL 44 CO -0.03 0.72 -0.68 0.40 -1.23 0.00 0.00 177.57 176.76 1uhj h ILE 45 N 0.19 1.50 0.00 7.19 2.04 -0.95 -0.69 117.51 126.79 1uhj h ILE 45 Ca -0.05 -2.45 0.00 0.00 1.00 0.00 0.00 64.86 63.36 1uhj h ILE 45 Cb 1.49 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 40.72 1uhj h ILE 45 CO 0.14 0.66 -1.15 0.59 0.00 0.00 0.00 178.15 178.39 1uhj n ASN 46 N -4.26 0.61 -0.03 1.72 3.02 0.26 -4.05 115.26 112.53 1uhj n ASN 46 Ca -0.15 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.43 1uhj n ASN 46 Cb 0.73 0.82 -0.05 0.00 -0.61 0.00 0.00 39.78 40.67 1uhj n ASN 46 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1uhj n ASN 47 N -2.30 3.51 -0.24 6.41 5.03 -0.13 -4.84 115.26 122.71 1uhj n ASN 47 Ca 0.00 0.00 0.02 0.00 0.87 0.00 0.00 54.58 55.47 1uhj n ASN 47 Cb 0.50 0.69 0.06 0.00 -1.02 0.00 0.00 39.78 40.01 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 -2.19 2.27 -0.41 3.41 4.77 -0.72 -5.01 117.00 119.12 1uhj n LEU 48 Ca -0.09 -1.91 -0.05 0.00 -0.03 0.00 0.00 56.01 53.92 1uhj n LEU 48 Cb 0.66 -0.08 -0.02 0.00 -2.33 0.00 0.00 43.42 41.65 1uhj n LEU 48 CO 0.13 0.56 -0.05 0.61 -1.33 0.00 0.00 177.39 177.31 1uhj n GLY 49 N -0.07 0.78 3.72 -0.72 0.00 -0.96 -4.88 105.19 103.06 1uhj n GLY 49 Ca 0.04 -0.64 -0.43 0.00 0.00 0.00 0.00 46.02 45.00 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 1.10 2.10 -0.77 4.61 0.00 -0.30 -5.01 120.51 122.23 1uhj n ALA 50 Ca -0.05 0.38 -0.31 0.00 0.00 0.00 0.00 53.44 53.46 1uhj n ALA 50 Cb 0.20 -2.40 0.17 0.00 0.00 0.00 0.00 19.45 17.41 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 -0.14 2.25 0.23 0.00 -4.23 -1.26 -4.76 115.64 107.73 1uhj s THR 51 Ca 0.64 0.08 -0.07 0.00 -1.18 0.00 0.00 61.69 61.16 1uhj s THR 51 Cb -0.54 -2.19 0.18 0.00 1.34 0.00 0.00 72.50 71.29 1uhj s THR 51 CO 0.50 -0.11 1.80 -0.65 -0.54 0.00 0.00 174.62 175.62 1uhj h PRO 52 N -1.86 0.66 -0.60 3.99 0.11 -1.99 0.55 132.00 132.86 1uhj h PRO 52 Ca -0.46 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 65.53 1uhj h PRO 52 Cb 1.27 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1uhj h PRO 52 CO 0.44 0.44 0.06 0.93 -0.21 0.00 0.00 178.00 179.66 1uhj h GLU 53 N 0.68 1.01 -0.43 1.05 3.07 -2.00 -1.43 114.58 116.53 1uhj h GLU 53 Ca 0.35 -0.28 -0.13 0.00 -0.50 0.00 0.00 59.36 58.80 1uhj h GLU 53 Cb 0.32 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 28.11 1uhj h GLU 53 CO -0.24 0.96 -0.24 1.96 -1.40 0.00 0.00 179.01 180.05 1uhj h GLN 54 N 0.94 0.93 -0.69 2.33 4.20 -1.80 -2.23 115.11 118.79 1uhj h GLN 54 Ca 0.18 -0.42 -0.07 0.00 0.06 0.00 0.00 58.65 58.41 1uhj h GLN 54 Cb 0.47 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 28.20 1uhj h GLN 54 CO 0.02 1.08 0.18 0.00 -0.67 0.00 0.00 178.83 179.43 1uhj h ALA 55 N 0.83 0.91 -0.34 3.87 0.00 -0.68 -1.87 119.26 121.98 1uhj h ALA 55 Ca 0.09 -0.24 -0.14 0.00 0.00 0.00 0.00 54.91 54.63 1uhj h ALA 55 Cb 0.82 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 1uhj h ALA 55 CO 0.07 0.62 -0.34 0.87 0.00 0.00 0.00 179.25 180.47 1uhj h LYS 56 N 1.03 0.75 -0.33 0.00 1.57 -1.12 0.35 116.57 118.83 1uhj h LYS 56 Ca 0.22 -0.36 -0.01 0.00 -1.87 0.00 0.00 60.65 58.63 1uhj h LYS 56 Cb 0.36 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1uhj h LYS 56 CO 0.00 0.98 0.16 -0.09 -0.57 0.00 0.00 179.45 179.93 1uhj h ARG 57 N 0.63 0.47 -0.50 3.15 2.43 -1.29 -0.88 114.38 118.40 1uhj h ARG 57 Ca 0.07 -0.07 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 1uhj h ARG 57 Cb 0.87 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 30.31 1uhj h ARG 57 CO 0.08 0.43 0.33 1.25 -1.51 0.00 0.00 179.97 180.54 1uhj h HIS 58 N 0.40 0.63 -0.53 2.20 2.76 -1.15 -1.99 115.15 117.47 1uhj h HIS 58 Ca 0.11 0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.26 1uhj h HIS 58 Cb 0.11 -0.21 -0.02 0.00 1.55 0.00 0.00 27.41 28.83 1uhj h HIS 58 CO -0.02 0.40 0.17 -0.22 -1.30 0.00 0.00 177.93 176.96 1uhj h LYS 59 N 0.67 0.82 -0.93 5.26 3.64 -0.62 -1.23 116.57 124.18 1uhj h LYS 59 Ca 0.18 -0.17 0.03 0.00 -1.27 0.00 0.00 60.65 59.42 1uhj h LYS 59 Cb -0.07 -0.12 -0.05 0.00 -0.41 0.00 0.00 32.23 31.58 1uhj h LYS 59 CO -0.04 0.75 0.61 -0.44 -2.27 0.00 0.00 179.45 178.06 1uhj h ASP 60 N 0.72 1.02 -0.28 4.20 3.32 -1.00 0.17 116.42 124.58 1uhj h ASP 60 Ca 0.17 -0.01 -0.06 0.00 0.02 0.00 0.00 57.03 57.15 1uhj h ASP 60 Cb 0.27 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 1uhj h ASP 60 CO -0.01 0.72 -0.05 0.00 -1.72 0.00 0.00 179.24 178.18 1uhj h ALA 61 N 1.37 0.38 -0.35 3.45 0.00 -0.85 -1.71 119.26 121.56 1uhj h ALA 61 Ca 0.36 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1uhj h ALA 61 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1uhj h ALA 61 CO -0.11 0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.63 1uhj h VAL 62 N 0.29 1.25 -0.60 0.00 2.07 -1.01 -0.94 116.25 117.31 1uhj h VAL 62 Ca 0.07 -0.91 0.12 0.00 0.82 0.00 0.00 66.70 66.81 1uhj h VAL 62 Cb 0.52 1.16 -0.10 0.00 -1.52 0.00 0.00 31.29 31.36 1uhj h VAL 62 CO 0.02 0.30 0.05 -0.08 0.02 0.00 0.00 177.57 177.89 1uhj h GLU 63 N 0.42 0.16 -0.37 1.57 4.81 -0.96 -1.68 114.58 118.53 1uhj h GLU 63 Ca 0.10 -0.01 -0.14 0.00 -0.13 0.00 0.00 59.36 59.18 1uhj h GLU 63 Cb 0.41 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 29.74 1uhj h GLU 63 CO 0.01 0.11 -0.33 0.00 -0.73 0.00 0.00 179.01 178.07 1uhj h ALA 64 N 1.52 0.71 0.60 2.92 0.00 -1.14 0.90 119.26 124.78 1uhj h ALA 64 Ca 0.32 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.77 1uhj h ALA 64 Cb 0.50 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1uhj h ALA 64 CO -0.47 0.66 -0.29 0.35 0.00 0.00 0.00 179.25 179.50 1uhj h PHE 65 N 0.70 -0.74 0.00 0.00 3.57 -0.87 -0.30 116.94 119.29 1uhj h PHE 65 Ca 0.07 -0.02 -0.10 0.00 3.53 0.00 0.00 57.97 61.45 1uhj h PHE 65 Cb 0.88 0.25 -0.01 0.00 2.79 0.00 0.00 35.95 39.86 1uhj h PHE 65 CO 0.05 -0.41 -0.48 0.74 -2.23 0.00 0.00 178.31 175.98 1uhj h PHE 66 N -0.97 0.00 -0.74 0.41 -1.00 -1.34 -2.06 116.94 111.24 1uhj h PHE 66 Ca -0.08 0.00 0.02 0.00 2.81 0.00 0.00 57.97 60.72 1uhj h PHE 66 Cb 0.66 0.00 -0.04 0.00 3.61 0.00 0.00 35.95 40.19 1uhj h PHE 66 CO -0.01 0.48 0.49 0.78 -1.61 0.00 0.00 178.31 178.44 1uhj h GLY 67 N 1.78 1.03 2.00 -1.45 0.00 -0.79 -1.55 103.07 104.09 1uhj h GLY 67 Ca -0.00 -0.37 -0.03 0.00 0.00 0.00 0.00 47.33 46.92 1uhj h GLY 67 CO 0.06 0.35 -0.16 -1.33 0.00 0.00 0.00 176.54 175.45 1uhj h GLY 68 N 0.95 0.00 -1.03 4.60 0.00 -0.30 -1.29 103.07 106.00 1uhj h GLY 68 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1uhj h GLY 68 CO -0.07 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.47 1uhj n ALA 69 N -2.23 2.46 -0.29 3.60 0.00 -0.60 -3.57 120.51 119.88 1uhj n ALA 69 Ca -0.01 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 52.93 1uhj n ALA 69 Cb 0.34 -0.98 0.00 0.00 0.00 0.00 0.00 19.45 18.81 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 0.96 0.61 0.00 0.00 0.00 -0.49 -4.17 105.19 102.11 1uhj n GLY 70 Ca 0.10 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.19 0.00 -1.82 1.61 5.02 -1.26 -4.99 118.16 116.52 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 0.10 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.10 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 2.71 0.00 2.13 4.12 -1.26 -2.32 117.35 120.72 1uhj s TYR 73 Ca 0.00 1.01 0.00 0.00 0.02 0.00 0.00 57.07 58.10 1uhj s TYR 73 Cb 0.00 -4.01 0.00 0.00 -1.52 0.00 0.00 41.96 36.43 1uhj s TYR 73 CO 0.00 -3.16 0.00 0.41 0.02 0.00 0.00 175.55 172.82 1uhj n GLY 74 N 1.29 0.56 3.24 0.71 0.00 -1.26 -5.00 105.19 104.73 1uhj n GLY 74 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.43 2.04 -0.26 1.61 1.01 -0.98 -5.11 120.40 116.28 1uhj s VAL 75 Ca 0.00 -1.03 -0.14 0.00 0.00 0.00 0.00 61.98 60.80 1uhj s VAL 75 Cb 0.00 -1.74 -0.04 0.00 0.00 0.00 0.00 36.38 34.60 1uhj s VAL 75 CO 0.00 0.56 0.35 -1.61 0.00 0.00 0.00 175.10 174.40 1uhj s GLU 76 N 0.08 4.03 -0.32 2.72 0.41 -1.26 -4.11 118.70 120.24 1uhj s GLU 76 Ca -0.11 0.00 -0.13 0.00 -0.41 0.00 0.00 54.97 54.33 1uhj s GLU 76 Cb -0.16 -3.64 -0.03 0.00 -1.78 0.00 0.00 34.13 28.53 1uhj s GLU 76 CO 0.06 -0.23 0.25 0.99 -0.49 0.00 0.00 175.26 175.84 1uhj s THR 77 N 1.91 5.27 0.82 3.63 2.01 0.17 -4.86 115.64 124.60 1uhj s THR 77 Ca 0.14 -0.04 -0.09 0.00 0.31 0.00 0.00 61.69 62.01 1uhj s THR 77 Cb -0.16 -3.67 0.13 0.00 0.01 0.00 0.00 72.50 68.81 1uhj s THR 77 CO 0.10 0.06 1.14 1.51 -0.69 0.00 0.00 174.62 176.74 1uhj s ASP 78 N 1.73 4.00 0.13 3.53 3.84 -1.26 -1.57 116.67 127.07 1uhj s ASP 78 Ca 0.07 0.19 -0.18 0.00 -0.00 0.00 0.00 52.55 52.63 1uhj s ASP 78 Cb -0.17 -0.52 -0.04 0.00 -1.38 0.00 0.00 42.92 40.82 1uhj s ASP 78 CO 0.11 -2.14 1.78 -0.25 -0.00 0.00 0.00 175.17 174.67 1uhj h TRP 79 N -1.03 0.36 -0.80 2.11 2.91 -1.99 -0.40 115.95 117.10 1uhj h TRP 79 Ca -0.42 0.00 0.05 0.00 1.13 0.00 0.00 58.89 59.65 1uhj h TRP 79 Cb 1.27 -0.12 -0.05 0.00 -0.51 0.00 0.00 29.16 29.75 1uhj h TRP 79 CO -0.40 0.24 0.50 -1.35 -1.03 0.00 0.00 178.44 176.40 1uhj h PRO 80 N 0.37 0.92 -0.21 2.65 0.11 -1.94 -0.18 132.00 133.72 1uhj h PRO 80 Ca 0.10 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.08 1uhj h PRO 80 Cb -0.02 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 30.87 1uhj h PRO 80 CO -0.02 0.61 -0.21 0.00 -0.21 0.00 0.00 178.00 178.17 1uhj h ALA 81 N 1.36 1.25 -0.09 -0.75 0.00 -1.89 -2.53 119.26 116.62 1uhj h ALA 81 Ca 0.34 -0.30 -0.02 0.00 0.00 0.00 0.00 54.91 54.93 1uhj h ALA 81 Cb 0.09 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1uhj h ALA 81 CO -0.14 0.49 -0.04 -0.92 0.00 0.00 0.00 179.25 178.64 1uhj h TYR 82 N 0.34 0.20 -0.06 0.00 3.20 0.16 -1.43 116.97 119.39 1uhj h TYR 82 Ca 0.06 -0.05 -0.16 0.00 3.14 0.00 0.00 58.73 61.72 1uhj h TYR 82 Cb 0.57 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.78 1uhj h TYR 82 CO 0.01 0.54 -0.65 0.97 -1.64 0.00 0.00 178.16 177.39 1uhj h ILE 83 N -0.19 1.40 -0.06 1.81 6.09 -1.12 -0.12 117.51 125.33 1uhj h ILE 83 Ca 0.02 -2.09 -0.00 0.00 -1.37 0.00 0.00 64.86 61.42 1uhj h ILE 83 Cb 0.48 2.08 -0.00 0.00 0.47 0.00 0.00 36.82 39.85 1uhj h ILE 83 CO 0.01 0.62 0.03 -0.08 -3.07 0.00 0.00 178.15 175.66 1uhj h GLU 84 N 0.17 0.08 -0.72 2.19 4.81 -1.42 -1.87 114.58 117.82 1uhj h GLU 84 Ca -0.01 -0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1uhj h GLU 84 Cb 1.18 -0.02 -0.04 0.00 0.63 0.00 0.00 28.75 30.50 1uhj h GLU 84 CO 0.10 0.14 0.48 0.78 -0.73 0.00 0.00 179.01 179.77 1uhj h GLY 85 N -0.00 1.00 1.53 1.92 0.00 -1.02 -2.75 103.07 103.75 1uhj h GLY 85 Ca 0.02 -0.35 -0.11 0.00 0.00 0.00 0.00 47.33 46.88 1uhj h GLY 85 CO -0.00 0.31 -0.31 1.49 0.00 0.00 0.00 176.54 178.03 1uhj h TRP 86 N 0.90 0.61 -0.95 5.60 4.06 -0.69 -0.56 115.95 124.92 1uhj h TRP 86 Ca 0.28 -0.15 0.03 0.00 2.06 0.00 0.00 58.89 61.12 1uhj h TRP 86 Cb 0.02 -0.14 -0.05 0.00 -1.00 0.00 0.00 29.16 27.99 1uhj h TRP 86 CO -0.00 0.79 0.63 0.87 -3.56 0.00 0.00 178.44 177.16 1uhj h LYS 87 N 0.46 1.18 0.04 0.49 1.57 -1.06 -0.97 116.57 118.27 1uhj h LYS 87 Ca 0.06 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1uhj h LYS 87 Cb 0.77 -0.27 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1uhj h LYS 87 CO 0.06 0.78 -0.02 0.87 -0.57 0.00 0.00 179.45 180.57 1uhj h LYS 88 N 1.21 -0.05 -0.07 3.15 1.57 -1.27 -1.10 116.57 120.00 1uhj h LYS 88 Ca 0.38 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 59.20 1uhj h LYS 88 Cb -0.01 0.01 -0.06 0.00 0.08 0.00 0.00 32.23 32.26 1uhj h LYS 88 CO -0.11 0.22 -0.36 1.25 -0.57 0.00 0.00 179.45 179.88 1uhj h LEU 89 N -0.33 -1.10 -0.67 2.94 5.85 -0.91 -0.52 115.31 120.57 1uhj h LEU 89 Ca -0.01 0.15 0.04 0.00 0.84 0.00 0.00 57.88 58.90 1uhj h LEU 89 Cb 0.30 0.45 -0.05 0.00 0.37 0.00 0.00 40.66 41.73 1uhj h LEU 89 CO 0.01 -0.40 0.41 0.00 -0.34 0.00 0.00 178.44 178.12 1uhj h ALA 90 N 0.23 0.89 -0.34 1.25 0.00 -1.18 0.64 119.26 120.75 1uhj h ALA 90 Ca 0.07 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.00 1uhj h ALA 90 Cb 0.59 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 1uhj h ALA 90 CO -0.33 0.14 0.16 1.15 0.00 0.00 0.00 179.25 180.37 1uhj h THR 91 N 0.78 0.98 -0.45 0.00 2.02 -0.76 -0.51 112.91 114.97 1uhj h THR 91 Ca 0.28 -0.12 -0.05 0.00 0.77 0.00 0.00 66.41 67.29 1uhj h THR 91 Cb 0.08 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.08 1uhj h THR 91 CO -0.13 0.06 0.07 0.44 0.37 0.00 0.00 175.52 176.33 1uhj h ASP 92 N 0.34 0.72 -0.50 4.18 3.45 -0.58 -1.38 116.42 122.65 1uhj h ASP 92 Ca 0.14 -0.26 -0.02 0.00 0.43 0.00 0.00 57.03 57.31 1uhj h ASP 92 Cb 0.06 -0.19 -0.02 0.00 -0.56 0.00 0.00 39.33 38.61 1uhj h ASP 92 CO -0.10 0.80 0.23 -0.33 -1.57 0.00 0.00 179.24 178.27 1uhj h GLU 93 N 0.61 0.73 -0.00 3.56 4.39 -0.67 -1.58 114.58 121.61 1uhj h GLU 93 Ca 0.13 -0.12 -0.11 0.00 0.34 0.00 0.00 59.36 59.61 1uhj h GLU 93 Cb 0.39 -0.13 -0.02 0.00 -0.10 0.00 0.00 28.75 28.90 1uhj h GLU 93 CO 0.01 0.62 -0.52 -0.07 -1.16 0.00 0.00 179.01 177.89 1uhj h LEU 94 N 0.66 0.01 -0.27 1.33 3.38 -0.89 0.20 115.31 119.73 1uhj h LEU 94 Ca 0.17 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 1uhj h LEU 94 Cb 0.14 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1uhj h LEU 94 CO -0.02 0.53 0.01 -0.33 0.09 0.00 0.00 178.44 178.72 1uhj h GLU 95 N 0.01 0.46 -0.42 1.13 5.08 -1.04 -1.57 114.58 118.23 1uhj h GLU 95 Ca -0.00 -0.14 0.00 0.00 -1.00 0.00 0.00 59.36 58.21 1uhj h GLU 95 Cb 0.93 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 1uhj h GLU 95 CO 0.07 0.62 0.27 0.87 -1.00 0.00 0.00 179.01 179.83 1uhj h LYS 96 N 0.25 0.56 -0.58 2.33 1.57 -0.99 -2.41 116.57 117.30 1uhj h LYS 96 Ca 0.08 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1uhj h LYS 96 Cb 0.40 -0.12 -0.05 0.00 0.08 0.00 0.00 32.23 32.53 1uhj h LYS 96 CO 0.01 0.39 0.29 -0.92 -0.57 0.00 0.00 179.45 178.65 1uhj h TYR 97 N 0.56 0.53 -0.07 -1.35 3.20 -0.87 -0.55 116.97 118.42 1uhj h TYR 97 Ca 0.15 0.02 -0.04 0.00 3.14 0.00 0.00 58.73 62.01 1uhj h TYR 97 Cb -0.04 -0.15 -0.01 0.00 1.54 0.00 0.00 36.73 38.07 1uhj h TYR 97 CO -0.04 0.24 -0.14 0.00 -1.64 0.00 0.00 178.16 176.58 1uhj h ALA 98 N 1.32 1.64 -0.36 1.82 0.00 -1.04 -1.89 119.26 120.76 1uhj h ALA 98 Ca 0.26 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1uhj h ALA 98 Cb 0.20 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.93 1uhj h ALA 98 CO -0.19 0.27 0.00 1.63 0.00 0.00 0.00 179.25 180.95 1uhj n LYS 99 N -4.32 2.04 -3.28 0.00 5.02 -0.70 -4.38 118.16 112.54 1uhj n LYS 99 Ca -0.02 -1.59 -0.23 0.00 -2.02 0.00 0.00 58.31 54.45 1uhj n LYS 99 Cb 0.24 -1.40 0.06 0.00 -0.02 0.00 0.00 35.03 33.91 1uhj n LYS 99 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1uhj n ASN 100 N 0.80 -6.28 -4.64 4.39 3.02 -0.71 -5.01 115.26 106.82 1uhj n ASN 100 Ca 0.16 -0.40 -0.31 0.00 -0.03 0.00 0.00 54.58 54.00 1uhj n ASN 100 Cb 0.41 -5.01 -0.09 0.00 -0.61 0.00 0.00 39.78 34.47 1uhj n ASN 100 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1uhj s GLU 101 N -5.98 2.56 0.25 3.52 2.02 -0.30 -5.03 118.70 115.74 1uhj s GLU 101 Ca 0.43 -0.77 -0.31 0.00 0.02 0.00 0.00 54.97 54.35 1uhj s GLU 101 Cb -0.19 -2.53 -0.11 0.00 0.10 0.00 0.00 34.13 31.40 1uhj s GLU 101 CO 0.53 0.58 1.63 -2.14 0.02 0.00 0.00 175.26 175.88 1uhj s PRO 102 N -1.81 4.14 0.44 0.39 0.02 -1.26 -4.10 135.00 132.80 1uhj s PRO 102 Ca 0.21 2.55 -0.03 0.00 0.02 0.00 0.00 61.00 63.76 1uhj s PRO 102 Cb -0.11 -3.06 -0.03 0.00 0.02 0.00 0.00 34.50 31.32 1uhj s PRO 102 CO 0.12 -0.66 0.70 0.95 -0.33 0.00 0.00 177.00 177.77 1uhj s THR 103 N 0.53 4.83 0.33 0.99 -4.23 -1.26 -4.94 115.64 111.89 1uhj s THR 103 Ca 0.68 -0.12 0.05 0.00 -1.18 0.00 0.00 61.69 61.12 1uhj s THR 103 Cb -0.48 -3.81 0.13 0.00 1.34 0.00 0.00 72.50 69.69 1uhj s THR 103 CO 0.40 -0.68 1.85 -0.07 -0.54 0.00 0.00 174.62 175.58 1uhj h LEU 104 N 0.41 0.42 -0.64 4.79 3.38 -1.95 -1.90 115.31 119.82 1uhj h LEU 104 Ca -0.48 -0.10 -0.13 0.00 0.09 0.00 0.00 57.88 57.27 1uhj h LEU 104 Cb 1.22 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1uhj h LEU 104 CO 0.61 0.56 -0.31 -0.29 0.09 0.00 0.00 178.44 179.09 1uhj h ILE 105 N 0.41 1.28 -0.60 1.22 6.09 -1.95 -1.51 117.51 122.45 1uhj h ILE 105 Ca 0.08 -1.45 -0.03 0.00 -1.37 0.00 0.00 64.86 62.09 1uhj h ILE 105 Cb 0.43 1.36 -0.03 0.00 0.47 0.00 0.00 36.82 39.05 1uhj h ILE 105 CO 0.02 0.48 0.26 -0.09 -3.07 0.00 0.00 178.15 175.75 1uhj h ARG 106 N 0.61 0.88 -0.50 2.19 9.65 -1.89 0.20 114.38 125.53 1uhj h ARG 106 Ca 0.07 -0.15 -0.01 0.00 -1.10 0.00 0.00 59.98 58.79 1uhj h ARG 106 Cb 0.83 -0.15 -0.02 0.00 -1.39 0.00 0.00 29.97 29.24 1uhj h ARG 106 CO 0.07 0.74 0.25 0.82 2.80 0.00 0.00 179.97 184.65 1uhj h ILE 107 N 0.83 1.18 -0.15 1.20 2.04 -1.19 0.18 117.51 121.59 1uhj h ILE 107 Ca 0.20 -0.50 -0.00 0.00 1.00 0.00 0.00 64.86 65.56 1uhj h ILE 107 Cb 0.17 0.60 -0.01 0.00 -0.74 0.00 0.00 36.82 36.85 1uhj h ILE 107 CO -0.02 0.20 0.09 -0.25 0.00 0.00 0.00 178.15 178.17 1uhj h TRP 108 N 0.66 0.21 -0.69 1.37 7.01 -1.21 -2.15 115.95 121.14 1uhj h TRP 108 Ca 0.17 -0.00 0.12 0.00 2.11 0.00 0.00 58.89 61.29 1uhj h TRP 108 Cb 0.09 -0.07 -0.08 0.00 -2.10 0.00 0.00 29.16 27.00 1uhj h TRP 108 CO -0.01 0.19 0.27 0.78 -2.79 0.00 0.00 178.44 176.88 1uhj h GLY 109 N 0.17 1.02 1.43 2.65 0.00 -0.33 -0.22 103.07 107.77 1uhj h GLY 109 Ca 0.05 -0.14 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 1uhj h GLY 109 CO -0.01 -0.05 -0.13 -0.55 0.00 0.00 0.00 176.54 175.80 1uhj h ASP 110 N 0.44 0.67 -0.29 0.19 3.32 -0.51 0.98 116.42 121.22 1uhj h ASP 110 Ca 0.37 -0.20 -0.08 0.00 0.02 0.00 0.00 57.03 57.14 1uhj h ASP 110 Cb 0.50 -0.18 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 1uhj h ASP 110 CO -0.36 0.82 -0.14 0.00 -1.72 0.00 0.00 179.24 177.85 1uhj h ALA 111 N 1.24 0.41 -0.25 3.45 0.00 -0.69 -2.64 119.26 120.78 1uhj h ALA 111 Ca 0.11 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 54.62 1uhj h ALA 111 Cb 0.58 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1uhj h ALA 111 CO 0.04 0.29 -0.14 1.25 0.00 0.00 0.00 179.25 180.69 1uhj h LEU 112 N 0.36 0.56 -1.64 0.00 5.85 -0.86 -3.13 115.31 116.44 1uhj h LEU 112 Ca 0.07 -0.42 -0.04 0.00 0.84 0.00 0.00 57.88 58.33 1uhj h LEU 112 Cb 0.66 -0.15 -0.01 0.00 0.37 0.00 0.00 40.66 41.53 1uhj h LEU 112 CO 0.04 0.86 -0.16 -0.26 -0.34 0.00 0.00 178.44 178.58 1uhj h PHE 113 N 0.25 0.03 -0.02 1.25 -1.00 -0.82 0.16 116.94 116.79 1uhj h PHE 113 Ca 0.05 -0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 1uhj h PHE 113 Cb 0.66 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.21 1uhj h PHE 113 CO 0.07 0.19 -0.07 0.22 -1.61 0.00 0.00 178.31 177.10 1uhj h ASP 114 N 0.03 0.03 0.08 2.17 -0.00 -1.41 -0.72 116.42 116.59 1uhj h ASP 114 Ca 0.00 -0.00 -0.18 0.00 -0.00 0.00 0.00 57.03 56.85 1uhj h ASP 114 Cb 0.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 39.33 39.62 1uhj h ASP 114 CO 0.02 0.10 -0.90 0.40 -0.00 0.00 0.00 179.24 178.87 1uhj h ILE 115 N 0.03 1.32 0.09 2.25 2.04 -1.21 -3.40 117.51 118.63 1uhj h ILE 115 Ca 0.01 -2.39 -0.26 0.00 1.00 0.00 0.00 64.86 63.22 1uhj h ILE 115 Cb 0.14 2.93 -0.00 0.00 -0.74 0.00 0.00 36.82 39.15 1uhj h ILE 115 CO 0.01 0.63 -1.17 0.58 0.00 0.00 0.00 178.15 178.20 1uhj h VAL 116 N -0.59 1.56 -3.56 1.67 2.07 -0.85 -3.43 116.25 113.12 1uhj h VAL 116 Ca -0.20 -3.15 -0.57 0.00 0.82 0.00 0.00 66.70 63.61 1uhj h VAL 116 Cb 1.48 2.91 -0.08 0.00 -1.52 0.00 0.00 31.29 34.08 1uhj h VAL 116 CO 0.03 0.91 0.84 -0.62 0.02 0.00 0.00 177.57 178.75 1uhj s ASP 117 N -7.03 6.54 0.50 0.57 2.15 -0.29 -4.90 116.67 114.21 1uhj s ASP 117 Ca -0.03 0.26 0.23 0.00 0.43 0.00 0.00 52.55 53.43 1uhj s ASP 117 Cb 0.08 -2.52 1.30 0.00 -0.30 0.00 0.00 42.92 41.47 1uhj s ASP 117 CO 0.87 -1.26 1.97 0.50 -0.17 0.00 0.00 175.17 177.08 1uhj h LYS 118 N 9.27 0.12 -0.01 4.34 3.64 -1.87 -1.26 116.57 130.80 1uhj h LYS 118 Ca -0.24 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.13 1uhj h LYS 118 Cb 1.06 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.86 1uhj h LYS 118 CO 1.12 0.08 -0.15 -0.25 -2.27 0.00 0.00 179.45 177.97 1uhj n ASP 119 N -4.40 1.48 -4.05 4.20 8.00 -1.26 -4.97 116.55 115.54 1uhj n ASP 119 Ca 0.11 -1.29 -0.29 0.00 0.71 0.00 0.00 54.79 54.04 1uhj n ASP 119 Cb 0.59 0.10 -0.02 0.00 -0.02 0.00 0.00 41.12 41.77 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 -0.09 -3.24 -0.06 -1.24 6.02 -0.48 -4.89 117.38 113.40 1uhj n GLN 120 Ca 0.15 0.39 0.05 0.00 -0.01 0.00 0.00 57.00 57.57 1uhj n GLN 120 Cb 0.38 -4.69 0.08 0.00 1.02 0.00 0.00 30.24 27.03 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 -2.88 2.30 -0.46 1.08 3.02 -1.26 -5.00 115.26 112.05 1uhj n ASN 121 Ca -0.18 -2.49 -0.03 0.00 -0.03 0.00 0.00 54.58 51.84 1uhj n ASN 121 Cb 0.62 -0.22 0.00 0.00 -0.61 0.00 0.00 39.78 39.58 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 -0.81 0.30 3.39 7.41 0.00 -1.26 -4.99 105.19 109.23 1uhj n GLY 122 Ca 0.08 -0.72 -0.15 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.29 -1.26 0.09 4.61 0.00 -1.26 -1.15 121.76 120.50 1uhj s ALA 123 Ca 0.01 1.07 0.10 0.00 0.00 0.00 0.00 51.96 53.14 1uhj s ALA 123 Cb -0.01 -0.32 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 1uhj s ALA 123 CO 0.02 -0.29 -0.26 0.96 0.00 0.00 0.00 175.76 176.19 1uhj s ILE 124 N -0.64 2.24 0.80 0.00 -4.36 0.30 -4.65 121.20 114.89 1uhj s ILE 124 Ca -0.07 -1.60 -0.11 0.00 -0.26 0.00 0.00 60.65 58.61 1uhj s ILE 124 Cb -0.03 -1.94 0.09 0.00 1.25 0.00 0.00 42.46 41.83 1uhj s ILE 124 CO 0.04 0.21 1.15 0.42 0.24 0.00 0.00 174.94 177.00 1uhj s THR 125 N -0.96 2.07 0.20 8.37 -4.23 -1.26 -0.03 115.64 119.79 1uhj s THR 125 Ca 0.13 -0.08 -0.10 0.00 -1.18 0.00 0.00 61.69 60.46 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 0.00 1.80 0.25 -0.54 0.00 0.00 174.62 176.18 1uhj h LEU 126 N -1.01 0.92 -1.22 4.79 5.85 -1.99 -1.21 115.31 121.43 1uhj h LEU 126 Ca -0.45 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.12 1uhj h LEU 126 Cb 1.31 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 1uhj h LEU 126 CO 0.60 0.77 0.18 0.44 -0.34 0.00 0.00 178.44 180.10 1uhj h ASP 127 N 1.00 0.66 -0.35 1.25 3.32 -1.98 -0.37 116.42 119.94 1uhj h ASP 127 Ca 0.25 -0.08 -0.16 0.00 0.02 0.00 0.00 57.03 57.06 1uhj h ASP 127 Cb 0.07 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1uhj h ASP 127 CO -0.04 0.61 -0.41 -0.33 -1.72 0.00 0.00 179.24 177.35 1uhj h GLU 128 N 0.71 0.91 -0.38 3.56 5.08 -1.78 -1.89 114.58 120.79 1uhj h GLU 128 Ca 0.17 -0.49 -0.10 0.00 -1.00 0.00 0.00 59.36 57.94 1uhj h GLU 128 Cb 0.17 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 1uhj h GLU 128 CO -0.01 1.14 -0.16 2.35 -1.00 0.00 0.00 179.01 181.33 1uhj h TRP 129 N 0.74 0.77 -0.48 4.33 -0.00 -0.75 -1.86 115.95 118.69 1uhj h TRP 129 Ca 0.05 -0.15 -0.06 0.00 -0.00 0.00 0.00 58.89 58.73 1uhj h TRP 129 Cb 1.01 -0.19 -0.02 0.00 -0.00 0.00 0.00 29.16 29.95 1uhj h TRP 129 CO 0.06 0.81 0.06 0.87 -0.00 0.00 0.00 178.44 180.24 1uhj h LYS 130 N 0.62 0.81 -0.58 2.65 1.57 -1.02 -1.70 116.57 118.92 1uhj h LYS 130 Ca 0.10 -0.23 -0.04 0.00 -1.87 0.00 0.00 60.65 58.62 1uhj h LYS 130 Cb 0.62 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.82 1uhj h LYS 130 CO 0.04 0.83 0.22 0.00 -0.57 0.00 0.00 179.45 179.97 1uhj h ALA 131 N 0.95 0.76 0.06 3.86 0.00 -0.99 -1.61 119.26 122.29 1uhj h ALA 131 Ca 0.14 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1uhj h ALA 131 Cb 0.42 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1uhj h ALA 131 CO 0.01 0.38 -0.03 -0.92 0.00 0.00 0.00 179.25 178.69 1uhj h TYR 132 N 0.81 -0.08 -0.28 0.00 3.20 -1.27 -2.58 116.97 116.76 1uhj h TYR 132 Ca 0.19 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 1uhj h TYR 132 Cb 0.22 0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.50 1uhj h TYR 132 CO 0.01 0.45 -0.22 1.79 -1.64 0.00 0.00 178.16 178.55 1uhj h THR 133 N -0.67 1.26 -0.04 1.81 1.35 -1.31 -0.52 112.91 114.80 1uhj h THR 133 Ca -0.01 -1.22 -0.15 0.00 -0.55 0.00 0.00 66.41 64.48 1uhj h THR 133 Cb 0.56 1.28 -0.01 0.00 -1.73 0.00 0.00 68.15 68.25 1uhj h THR 133 CO 0.01 0.39 -0.65 0.11 -0.25 0.00 0.00 175.52 175.14 1uhj h LYS 134 N 0.47 0.15 -0.32 4.72 1.57 -1.33 0.38 116.57 122.20 1uhj h LYS 134 Ca 0.07 -0.11 -0.06 0.00 -1.87 0.00 0.00 60.65 58.68 1uhj h LYS 134 Cb 0.64 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1uhj h LYS 134 CO 0.05 0.74 -0.03 0.00 -0.57 0.00 0.00 179.45 179.64 1uhj h ALA 135 N 1.23 0.43 -0.05 3.86 0.00 -1.00 -2.96 119.26 120.77 1uhj h ALA 135 Ca -0.01 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.56 1uhj h ALA 135 Cb 1.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 1uhj h ALA 135 CO 0.09 0.21 -0.34 0.00 0.00 0.00 0.00 179.25 179.22 1uhj h ALA 136 N 0.83 1.33 0.00 0.00 0.00 -1.05 -3.47 119.26 116.90 1uhj h ALA 136 Ca 0.09 -0.34 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1uhj h ALA 136 Cb 0.49 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.21 1uhj h ALA 136 CO 0.02 0.48 0.00 0.41 0.00 0.00 0.00 179.25 180.16 1uhj n GLY 137 N -0.45 0.93 0.24 0.00 0.00 0.13 -4.93 105.19 101.10 1uhj n GLY 137 Ca -0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.05 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 1.12 -3.87 -0.61 2.10 -1.74 -3.39 117.51 111.12 1uhj h ILE 138 Ca 0.00 -0.52 -0.57 0.00 1.08 0.00 0.00 64.86 64.84 1uhj h ILE 138 Cb 0.00 1.17 -0.31 0.00 -1.09 0.00 0.00 36.82 36.58 1uhj h ILE 138 CO 0.00 0.16 -0.84 -0.63 -1.08 0.00 0.00 178.15 175.76 1uhj s ILE 139 N -4.82 1.49 -0.21 2.19 1.01 -1.18 -4.69 121.20 114.99 1uhj s ILE 139 Ca -0.05 -0.75 0.01 0.00 0.00 0.00 0.00 60.65 59.86 1uhj s ILE 139 Cb 0.16 -1.28 -0.20 0.00 0.01 0.00 0.00 42.46 41.15 1uhj s ILE 139 CO 0.71 0.43 -0.02 0.00 0.00 0.00 0.00 174.94 176.05 1uhj n GLN 140 N 3.16 0.68 -4.00 2.79 1.13 -1.26 -3.53 117.38 116.35 1uhj n GLN 140 Ca -0.18 0.18 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 1uhj n GLN 140 Cb 0.53 -1.58 -0.06 0.00 0.11 0.00 0.00 30.24 29.24 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 -6.60 5.86 0.33 1.08 1.04 -1.26 -4.97 113.70 109.18 1uhj s SER 141 Ca -0.29 0.10 0.03 0.00 0.48 0.00 0.00 55.95 56.27 1uhj s SER 141 Cb 0.08 -1.67 0.59 0.00 0.10 0.00 0.00 66.02 65.12 1uhj s SER 141 CO 0.67 0.17 1.90 0.28 0.98 0.00 0.00 173.24 177.24 1uhj h SER 142 N 3.22 0.57 0.08 7.02 0.02 -1.99 -2.63 113.55 119.84 1uhj h SER 142 Ca -0.46 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.34 1uhj h SER 142 Cb 1.16 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.54 1uhj h SER 142 CO 0.70 0.58 -0.20 1.05 -1.14 0.00 0.00 176.83 177.81 1uhj h GLU 143 N 0.61 0.23 -0.15 3.45 4.11 -1.99 -0.67 114.58 120.16 1uhj h GLU 143 Ca 0.14 -0.07 -0.21 0.00 0.07 0.00 0.00 59.36 59.29 1uhj h GLU 143 Cb 0.24 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.47 1uhj h GLU 143 CO -0.00 0.43 -0.75 -0.44 0.07 0.00 0.00 179.01 178.32 1uhj h ASP 144 N 0.21 0.87 -0.62 3.06 3.32 -1.81 -2.62 116.42 118.82 1uhj h ASP 144 Ca 0.04 -0.56 -0.00 0.00 0.02 0.00 0.00 57.03 56.53 1uhj h ASP 144 Cb 0.49 -0.26 -0.03 0.00 0.22 0.00 0.00 39.33 39.75 1uhj h ASP 144 CO 0.03 1.35 0.39 0.00 -1.72 0.00 0.00 179.24 179.29 1uhj h GLU 146 N 0.86 0.11 -0.42 0.00 5.08 -0.96 -2.70 114.58 116.56 1uhj h GLU 146 Ca 0.23 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.50 1uhj h GLU 146 Cb -0.05 -0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1uhj h GLU 146 CO -0.04 0.40 0.04 0.93 -1.00 0.00 0.00 179.01 179.33 1uhj h GLU 147 N 0.10 0.65 -0.70 2.33 4.39 -1.01 -2.30 114.58 118.04 1uhj h GLU 147 Ca 0.01 -0.14 0.10 0.00 0.34 0.00 0.00 59.36 59.67 1uhj h GLU 147 Cb 0.57 -0.09 -0.08 0.00 -0.10 0.00 0.00 28.75 29.05 1uhj h GLU 147 CO 0.04 0.64 0.32 1.15 -1.16 0.00 0.00 179.01 180.01 1uhj h THR 148 N 0.62 0.80 0.00 1.13 2.02 -1.40 -0.74 112.91 115.34 1uhj h THR 148 Ca 0.13 -0.18 -0.02 0.00 0.77 0.00 0.00 66.41 67.11 1uhj h THR 148 Cb 0.34 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 66.96 1uhj h THR 148 CO 0.01 0.10 -0.11 -0.26 0.37 0.00 0.00 175.52 175.62 1uhj h PHE 149 N 0.54 0.00 -0.05 3.16 0.04 -1.50 -1.44 116.94 117.68 1uhj h PHE 149 Ca 0.35 0.00 -0.17 0.00 2.80 0.00 0.00 57.97 60.96 1uhj h PHE 149 Cb 0.42 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.58 1uhj h PHE 149 CO -0.13 0.11 -0.62 -0.09 -0.60 0.00 0.00 178.31 176.98 1uhj h ARG 150 N 0.00 0.51 -0.42 1.51 2.43 -0.86 -3.35 114.38 114.20 1uhj h ARG 150 Ca -0.00 -0.48 -0.15 0.00 -0.81 0.00 0.00 59.98 58.54 1uhj h ARG 150 Cb 0.58 0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 1uhj h ARG 150 CO 0.01 1.12 -0.33 0.28 -1.51 0.00 0.00 179.97 179.54 1uhj h VAL 151 N 0.08 1.27 -3.76 0.20 2.07 -1.09 -3.44 116.25 111.58 1uhj h VAL 151 Ca -0.06 -1.50 -0.49 0.00 0.82 0.00 0.00 66.70 65.47 1uhj h VAL 151 Cb 1.30 1.30 -0.01 0.00 -1.52 0.00 0.00 31.29 32.35 1uhj h VAL 151 CO 0.13 0.51 0.13 0.00 0.02 0.00 0.00 177.57 178.36 1uhj s ASP 153 N -2.59 6.88 0.38 0.00 1.01 -1.26 -4.84 116.67 116.25 1uhj s ASP 153 Ca 0.54 1.69 -0.04 0.00 0.71 0.00 0.00 52.55 55.45 1uhj s ASP 153 Cb -0.10 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.25 1uhj s ASP 153 CO 0.22 -0.82 0.65 -0.63 0.21 0.00 0.00 175.17 174.80 1uhj s ILE 154 N 3.69 4.99 0.00 0.77 1.01 -1.26 -4.71 121.20 125.68 1uhj s ILE 154 Ca 0.57 0.01 0.00 0.00 0.00 0.00 0.00 60.65 61.23 1uhj s ILE 154 Cb -0.22 -3.82 0.00 0.00 0.01 0.00 0.00 42.46 38.43 1uhj s ILE 154 CO 0.17 -0.60 0.00 -0.90 0.00 0.00 0.00 174.94 173.62 1uhj n ASP 155 N -1.68 0.00 0.05 3.58 5.68 -0.15 -4.92 116.55 119.11 1uhj n ASP 155 Ca -0.01 -0.79 -0.11 0.00 -0.50 0.00 0.00 54.79 53.37 1uhj n ASP 155 Cb 0.55 0.00 -0.06 0.00 -1.14 0.00 0.00 41.12 40.47 1uhj n ASP 155 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1uhj h GLU 156 N 0.00 -0.12 -0.16 0.11 3.07 -2.00 -2.70 114.58 112.79 1uhj h GLU 156 Ca 0.00 0.01 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 1uhj h GLU 156 Cb 0.00 0.03 0.00 0.00 -0.84 0.00 0.00 28.75 27.94 1uhj h GLU 156 CO 0.00 -0.08 0.00 -1.13 -1.40 0.00 0.00 179.01 176.40 1uhj n SER 157 N -5.19 0.72 0.00 1.42 3.41 -1.26 -4.89 113.62 107.83 1uhj n SER 157 Ca -0.06 -2.01 0.00 0.00 -0.26 0.00 0.00 58.87 56.54 1uhj n SER 157 Cb 0.11 -0.10 0.00 0.00 -0.26 0.00 0.00 64.21 63.96 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 0.68 0.45 3.63 5.00 0.00 -1.02 -5.08 105.19 108.86 1uhj n GLY 158 Ca 0.04 -0.85 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -3.83 2.30 -0.44 1.61 -0.21 -1.26 -4.56 119.66 113.27 1uhj s GLN 159 Ca 0.00 -1.08 -0.18 0.00 0.02 0.00 0.00 55.36 54.12 1uhj s GLN 159 Cb 0.00 -2.33 0.03 0.00 1.00 0.00 0.00 33.01 31.70 1uhj s GLN 159 CO 0.00 0.47 0.51 -1.17 -2.12 0.00 0.00 175.29 172.99 1uhj s LEU 160 N -2.67 4.82 0.35 2.90 1.98 0.95 -0.98 118.68 126.03 1uhj s LEU 160 Ca 0.25 -0.66 -0.18 0.00 -2.89 0.00 0.00 54.13 50.66 1uhj s LEU 160 Cb -0.10 -2.47 -0.10 0.00 0.66 0.00 0.00 46.19 44.19 1uhj s LEU 160 CO 0.17 -0.68 0.81 -0.62 -1.89 0.00 0.00 176.35 174.14 1uhj s ASP 161 N 2.01 6.87 0.26 3.68 -1.08 -1.26 -0.54 116.67 126.60 1uhj s ASP 161 Ca 0.15 1.43 -0.04 0.00 -0.52 0.00 0.00 52.55 53.57 1uhj s ASP 161 Cb -0.17 -2.43 0.34 0.00 -1.46 0.00 0.00 42.92 39.20 1uhj s ASP 161 CO 0.14 -0.23 1.90 1.62 0.52 0.00 0.00 175.17 179.12 1uhj h VAL 162 N 2.03 1.15 -0.39 1.11 3.04 -1.52 -2.24 116.25 119.42 1uhj h VAL 162 Ca -0.48 -0.42 0.08 0.00 -1.01 0.00 0.00 66.70 64.86 1uhj h VAL 162 Cb 1.18 -0.19 -0.07 0.00 -2.01 0.00 0.00 31.29 30.20 1uhj h VAL 162 CO 0.64 0.22 -0.08 0.44 -1.01 0.00 0.00 177.57 177.79 1uhj h ASP 163 N 1.23 -0.32 0.00 3.17 3.32 -1.94 0.73 116.42 122.61 1uhj h ASP 163 Ca 0.40 0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.56 1uhj h ASP 163 Cb 0.04 0.23 0.00 0.00 0.22 0.00 0.00 39.33 39.82 1uhj h ASP 163 CO -0.14 -0.11 0.00 1.21 -1.72 0.00 0.00 179.24 178.48 1uhj n GLU 164 N -5.28 0.42 0.00 3.56 4.07 -0.84 -2.36 120.64 120.21 1uhj n GLU 164 Ca 0.02 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.12 1uhj n GLU 164 Cb 0.21 -1.26 0.00 0.00 -0.06 0.00 0.00 31.44 30.34 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 0.60 0.00 -0.06 6.31 -1.04 0.25 -1.70 114.28 118.63 1uhj n THR 166 Ca 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 64.05 61.92 1uhj n THR 166 Cb 0.17 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.66 1uhj n THR 166 CO 0.00 0.00 0.00 -0.09 -0.64 0.00 0.00 175.07 174.34 1uhj h ARG 167 N 0.00 0.24 -0.74 -2.82 9.65 -1.70 -0.20 114.38 118.81 1uhj h ARG 167 Ca 0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.84 1uhj h ARG 167 Cb 0.00 -0.05 -0.03 0.00 -1.39 0.00 0.00 29.97 28.49 1uhj h ARG 167 CO 0.00 0.16 0.34 1.96 2.80 0.00 0.00 179.97 185.23 1uhj h GLN 168 N 0.25 1.07 -0.31 0.20 1.08 -1.62 -2.64 115.11 113.14 1uhj h GLN 168 Ca 0.10 -0.17 -0.09 0.00 -1.45 0.00 0.00 58.65 57.05 1uhj h GLN 168 Cb 0.04 -0.19 -0.02 0.00 -0.05 0.00 0.00 27.48 27.27 1uhj h GLN 168 CO -0.08 0.85 -0.19 0.45 -0.95 0.00 0.00 178.83 178.90 1uhj h HIS 169 N 1.04 0.62 -0.41 2.96 3.86 -1.72 0.41 115.15 121.90 1uhj h HIS 169 Ca 0.25 -0.12 -0.00 0.00 -1.16 0.00 0.00 60.37 59.34 1uhj h HIS 169 Cb 0.14 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1uhj h HIS 169 CO 0.01 0.72 0.26 -0.07 0.86 0.00 0.00 177.93 179.71 1uhj h LEU 170 N 0.50 0.49 -0.41 2.43 3.38 -0.86 -1.01 115.31 119.84 1uhj h LEU 170 Ca 0.08 -0.04 -0.06 0.00 0.09 0.00 0.00 57.88 57.95 1uhj h LEU 170 Cb 0.62 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 1uhj h LEU 170 CO 0.04 0.39 0.03 1.23 0.09 0.00 0.00 178.44 180.22 1uhj h GLY 171 N 0.55 0.76 0.80 0.83 0.00 -1.25 -1.94 103.07 102.82 1uhj h GLY 171 Ca 0.15 -0.54 -0.12 0.00 0.00 0.00 0.00 47.33 46.82 1uhj h GLY 171 CO -0.03 0.50 -0.41 -2.75 0.00 0.00 0.00 176.54 173.85 1uhj h PHE 172 N 0.55 0.60 0.01 5.60 3.57 -0.70 -2.92 116.94 123.65 1uhj h PHE 172 Ca 0.12 -0.26 -0.29 0.00 3.53 0.00 0.00 57.97 61.07 1uhj h PHE 172 Cb 0.44 -0.09 -0.05 0.00 2.79 0.00 0.00 35.95 39.04 1uhj h PHE 172 CO 0.03 1.01 -1.69 -1.49 -2.23 0.00 0.00 178.31 173.94 1uhj h TRP 173 N 0.01 0.05 0.00 0.41 -0.00 -1.29 -3.41 115.95 111.72 1uhj h TRP 173 Ca -0.02 -0.04 -0.11 0.00 -0.00 0.00 0.00 58.89 58.71 1uhj h TRP 173 Cb 1.05 -0.00 -0.02 0.00 -0.00 0.00 0.00 29.16 30.19 1uhj h TRP 173 CO 0.12 1.07 -1.88 0.66 -0.00 0.00 0.00 178.44 178.41 1uhj n TYR 174 N -3.11 0.00 0.00 0.49 0.53 -0.73 -5.02 117.16 109.32 1uhj n TYR 174 Ca -0.17 0.00 0.00 0.00 -1.02 0.00 0.00 57.90 56.71 1uhj n TYR 174 Cb 1.05 -0.53 0.00 0.00 -1.03 0.00 0.00 39.34 38.82 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 -2.28 0.00 -3.39 -0.72 -2.24 -1.11 -4.45 114.28 100.10 1uhj n THR 175 Ca -0.12 0.00 0.02 0.00 -2.27 0.00 0.00 64.05 61.68 1uhj n THR 175 Cb 0.66 -0.02 -0.04 0.00 -2.10 0.00 0.00 70.33 68.83 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 -0.61 0.60 3.42 2.15 -1.20 -4.41 116.67 117.62 1uhj s ASP 177 Ca 0.00 0.80 0.38 0.00 0.43 0.00 0.00 52.55 54.16 1uhj s ASP 177 Cb 0.00 1.68 1.84 0.00 -0.30 0.00 0.00 42.92 46.14 1uhj s ASP 177 CO 0.00 -0.12 2.16 1.55 -0.17 0.00 0.00 175.17 178.60 1uhj h PRO 178 N 7.56 0.00 0.00 4.34 0.13 -2.01 -2.35 132.00 139.67 1uhj h PRO 178 Ca -0.16 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.96 1uhj h PRO 178 Cb 1.12 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.25 1uhj h PRO 178 CO 0.08 0.02 -0.06 0.00 -0.23 0.00 0.00 178.00 177.80 1uhj h ALA 179 N 1.98 1.53 -0.44 -0.56 0.00 -2.02 -2.93 119.26 116.82 1uhj h ALA 179 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 1uhj h ALA 179 Cb 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1uhj h ALA 179 CO 0.00 0.08 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1uhj s GLU 181 N -1.42 4.04 -0.72 0.00 0.41 -1.11 -2.51 118.70 117.39 1uhj s GLU 181 Ca 0.38 2.40 0.00 0.00 -0.41 0.00 0.00 54.97 57.34 1uhj s GLU 181 Cb 0.21 -2.88 0.00 0.00 -1.78 0.00 0.00 34.13 29.67 1uhj s GLU 181 CO 0.29 -0.52 0.00 1.63 -0.49 0.00 0.00 175.26 176.17 1uhj n LYS 182 N 0.33 -0.51 -0.08 1.61 5.02 -1.26 -4.92 118.16 118.35 1uhj n LYS 182 Ca 0.02 0.67 0.07 0.00 -2.02 0.00 0.00 58.31 57.05 1uhj n LYS 182 Cb 0.41 -4.49 0.43 0.00 -0.02 0.00 0.00 35.03 31.36 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 0.49 -3.68 -0.35 7.12 -1.83 0.28 115.31 117.34 1uhj h LEU 183 Ca -0.15 -0.00 -0.34 0.00 0.13 0.00 0.00 57.88 57.52 1uhj h LEU 183 Cb 0.60 -0.11 -0.20 0.00 -0.53 0.00 0.00 40.66 40.42 1uhj h LEU 183 CO 0.21 0.33 0.29 -1.22 -0.13 0.00 0.00 178.44 177.91 1uhj n TYR 184 N -4.47 2.10 -3.99 1.25 4.02 -1.26 -3.53 117.16 111.27 1uhj n TYR 184 Ca 0.07 -1.68 0.00 0.00 -0.01 0.00 0.00 57.90 56.28 1uhj n TYR 184 Cb 0.21 -0.72 0.00 0.00 -0.02 0.00 0.00 39.34 38.81 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 -1.07 2.46 0.00 2.72 0.00 0.09 -1.83 105.19 107.57 1uhj n GLY 185 Ca 0.46 -0.38 0.15 0.00 0.00 0.00 0.00 46.02 46.25 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 -1.00 0.24 -0.02 0.00 -1.26 -4.16 105.19 99.00 1uhj n GLY 186 Ca 0.00 -0.17 -0.03 0.00 0.00 0.00 0.00 46.02 45.82 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 3.74 1.15 -3.25 4.61 0.00 -1.69 -3.42 119.26 120.40 1uhj h ALA 187 Ca 0.00 -0.32 -0.47 0.00 0.00 0.00 0.00 54.91 54.13 1uhj h ALA 187 Cb 0.06 -0.13 -0.39 0.00 0.00 0.00 0.00 17.79 17.34 1uhj h ALA 187 CO 0.00 0.53 -0.77 0.08 0.00 0.00 0.00 179.25 179.10 1uhj s VAL 188 N -4.59 0.47 -2.00 0.00 1.01 -1.26 -4.98 120.40 109.05 1uhj s VAL 188 Ca -0.07 -0.11 0.21 0.00 0.00 0.00 0.00 61.98 62.02 1uhj s VAL 188 Cb 0.14 -0.72 0.61 0.00 0.00 0.00 0.00 36.38 36.41 1uhj s VAL 188 CO 0.79 0.13 1.66 -0.81 0.00 0.00 0.00 175.10 176.86