#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lxd s ASP 15 N 0.00 6.79 0.17 1.61 1.01 -1.26 -4.97 116.67 120.02 1lxd s ASP 15 Ca 0.00 2.11 -0.07 0.00 0.71 0.00 0.00 52.55 55.29 1lxd s ASP 15 Cb 0.00 -2.59 -0.02 0.00 1.01 0.00 0.00 42.92 41.32 1lxd s ASP 15 CO 0.00 -0.47 0.25 0.00 0.21 0.00 0.00 175.17 175.16 1lxd s ILE 18 N -0.78 5.27 0.22 0.00 1.01 -1.26 -0.61 121.20 125.06 1lxd s ILE 18 Ca -0.09 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.67 1lxd s ILE 18 Cb -0.05 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.71 1lxd s ILE 18 CO 0.01 0.08 -0.04 0.27 0.00 0.00 0.00 174.94 175.26 1lxd s ILE 19 N 1.80 3.40 -0.27 2.92 -4.36 -0.70 -4.96 121.20 119.03 1lxd s ILE 19 Ca 0.08 -1.75 -0.15 0.00 -0.26 0.00 0.00 60.65 58.57 1lxd s ILE 19 Cb -0.17 -2.75 -0.04 0.00 1.25 0.00 0.00 42.46 40.75 1lxd s ILE 19 CO 0.11 -0.24 0.37 -0.13 0.24 0.00 0.00 174.94 175.29 1lxd s ARG 20 N -3.26 4.03 -0.22 0.37 0.52 -0.02 -0.97 118.95 119.40 1lxd s ARG 20 Ca 0.28 0.04 -0.01 0.00 -0.52 0.00 0.00 55.73 55.52 1lxd s ARG 20 Cb -0.08 -3.65 0.02 0.00 0.52 0.00 0.00 34.95 31.76 1lxd s ARG 20 CO 0.18 -0.26 -0.09 0.14 0.02 0.00 0.00 175.30 175.29 1lxd s VAL 21 N 2.00 2.79 0.28 3.52 -7.23 -0.06 -1.23 120.40 120.47 1lxd s VAL 21 Ca 0.15 -0.87 0.05 0.00 -1.81 0.00 0.00 61.98 59.50 1lxd s VAL 21 Cb -0.16 -2.32 -0.02 0.00 0.56 0.00 0.00 36.38 34.44 1lxd s VAL 21 CO 0.10 0.35 0.42 -0.55 -0.31 0.00 0.00 175.10 175.10 1lxd s SER 22 N 1.35 6.21 0.78 4.85 0.15 -0.31 -1.23 113.70 125.50 1lxd s SER 22 Ca 0.03 0.05 -0.11 0.00 0.70 0.00 0.00 55.95 56.61 1lxd s SER 22 Cb -0.15 -1.71 0.06 0.00 -1.71 0.00 0.00 66.02 62.52 1lxd s SER 22 CO -0.06 -0.21 1.11 -0.76 1.20 0.00 0.00 173.24 174.52 1lxd s LEU 23 N -4.08 3.07 -0.50 3.45 1.02 -1.26 -0.33 118.68 120.05 1lxd s LEU 23 Ca 0.38 1.94 -0.28 0.00 0.02 0.00 0.00 54.13 56.19 1lxd s LEU 23 Cb -0.09 -4.54 -0.01 0.00 0.02 0.00 0.00 46.19 41.57 1lxd s LEU 23 CO 0.31 -2.16 1.70 -0.62 0.02 0.00 0.00 176.35 175.60 1lxd s ASP 24 N -3.09 5.75 -0.01 2.29 2.15 -0.21 -4.62 116.67 118.94 1lxd s ASP 24 Ca 0.64 0.65 0.00 0.00 0.43 0.00 0.00 52.55 54.27 1lxd s ASP 24 Cb -0.19 -2.53 0.01 0.00 -0.30 0.00 0.00 42.92 39.90 1lxd s ASP 24 CO 0.54 -1.94 0.01 -0.69 -0.17 0.00 0.00 175.17 172.91 1lxd s VAL 25 N 7.41 -0.01 0.46 1.11 1.01 -1.26 -4.97 120.40 124.16 1lxd s VAL 25 Ca 0.67 0.05 0.41 0.00 0.00 0.00 0.00 61.98 63.11 1lxd s VAL 25 Cb -0.15 -0.03 0.60 0.00 0.00 0.00 0.00 36.38 36.80 1lxd s VAL 25 CO 0.27 0.02 1.36 -0.90 0.00 0.00 0.00 175.10 175.85 1lxd n ASP 26 N 3.35 0.04 -3.52 3.32 5.75 -1.26 -2.95 116.55 121.28 1lxd n ASP 26 Ca -0.16 0.94 -0.21 0.00 -0.01 0.00 0.00 54.79 55.35 1lxd n ASP 26 Cb 0.57 -0.47 -0.14 0.00 -1.03 0.00 0.00 41.12 40.06 1lxd n ASP 26 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 1lxd s ASN 27 N -3.97 1.81 0.41 -1.12 3.84 -1.26 -5.10 114.94 109.55 1lxd s ASN 27 Ca -0.05 -0.45 0.00 0.00 0.21 0.00 0.00 52.86 52.57 1lxd s ASN 27 Cb 0.24 0.18 0.00 0.00 -0.55 0.00 0.00 41.25 41.12 1lxd s ASN 27 CO 0.76 -0.35 0.00 0.61 -2.79 0.00 0.00 177.10 175.34 1lxd n GLY 28 N 5.30 0.36 7.00 1.21 0.00 -1.15 -4.92 105.19 112.99 1lxd n GLY 28 Ca -0.06 0.63 0.00 0.00 0.00 0.00 0.00 46.02 46.59 1lxd n GLY 28 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1lxd n ASN 29 N 4.79 0.00 -4.30 1.61 0.23 -1.26 -4.64 115.26 111.68 1lxd n ASN 29 Ca 0.00 0.00 -0.45 0.00 -0.53 0.00 0.00 54.58 53.60 1lxd n ASN 29 Cb 0.00 0.00 -0.05 0.00 -2.08 0.00 0.00 39.78 37.65 1lxd n ASN 29 CO 0.00 0.00 0.00 -0.32 -0.93 0.00 0.00 177.26 176.01 1lxd s MET 30 N 0.00 3.06 0.03 -3.83 0.00 -1.26 -4.97 119.30 112.33 1lxd s MET 30 Ca 0.00 -1.90 -0.30 0.00 0.00 0.00 0.00 55.69 53.49 1lxd s MET 30 Cb 0.00 -4.28 -0.05 0.00 0.00 0.00 0.00 34.83 30.51 1lxd s MET 30 CO 0.00 -1.30 1.16 0.71 0.00 0.00 0.00 175.02 175.59 1lxd s TYR 31 N 1.23 3.43 -0.15 4.11 2.02 -1.26 -4.28 117.35 122.44 1lxd s TYR 31 Ca 0.07 1.35 -0.01 0.00 -0.37 0.00 0.00 57.07 58.11 1lxd s TYR 31 Cb -0.25 -3.37 -0.01 0.00 -0.40 0.00 0.00 41.96 37.93 1lxd s TYR 31 CO -0.00 -1.06 -0.10 0.15 -1.57 0.00 0.00 175.55 172.97 1lxd s LYS 32 N 1.29 3.42 0.31 -0.62 -0.14 -0.37 -4.85 119.74 118.77 1lxd s LYS 32 Ca 0.57 -0.65 -0.29 0.00 -1.36 0.00 0.00 55.97 54.24 1lxd s LYS 32 Cb -0.27 -2.75 -0.10 0.00 -1.68 0.00 0.00 37.83 33.04 1lxd s LYS 32 CO 0.27 0.13 1.16 0.45 -0.76 0.00 0.00 175.35 176.61 1lxd s SER 33 N 0.59 7.06 0.03 2.83 0.15 -1.26 -0.88 113.70 122.21 1lxd s SER 33 Ca -0.06 2.39 -0.00 0.00 0.70 0.00 0.00 55.95 58.98 1lxd s SER 33 Cb -0.15 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.50 1lxd s SER 33 CO 0.03 -0.30 -0.03 0.27 1.20 0.00 0.00 173.24 174.41 1lxd s ILE 34 N -1.19 0.14 -0.27 6.45 -4.36 -0.14 -4.93 121.20 116.90 1lxd s ILE 34 Ca 0.47 -1.12 -0.19 0.00 -0.26 0.00 0.00 60.65 59.54 1lxd s ILE 34 Cb -0.34 -0.57 -0.02 0.00 1.25 0.00 0.00 42.46 42.78 1lxd s ILE 34 CO 0.44 -0.62 0.58 -0.22 0.24 0.00 0.00 174.94 175.37 1lxd s LEU 35 N -1.81 4.08 -0.36 0.37 2.96 -1.26 -1.73 118.68 120.92 1lxd s LEU 35 Ca -0.10 0.57 -0.13 0.00 -0.22 0.00 0.00 54.13 54.25 1lxd s LEU 35 Cb -0.06 -2.77 -0.00 0.00 0.50 0.00 0.00 46.19 43.86 1lxd s LEU 35 CO -0.03 -0.36 0.25 -0.69 -1.32 0.00 0.00 176.35 174.20 1lxd s VAL 36 N 2.45 5.19 0.84 1.68 1.01 0.22 -5.00 120.40 126.79 1lxd s VAL 36 Ca 0.24 -0.39 -0.12 0.00 0.00 0.00 0.00 61.98 61.71 1lxd s VAL 36 Cb -0.15 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.58 1lxd s VAL 36 CO 0.09 -0.10 1.13 0.42 0.00 0.00 0.00 175.10 176.64 1lxd s THR 37 N 1.69 2.41 0.61 3.92 -4.23 -1.26 -0.71 115.64 118.07 1lxd s THR 37 Ca 0.05 0.13 0.34 0.00 -1.18 0.00 0.00 61.69 61.03 1lxd s THR 37 Cb -0.18 -2.95 0.34 0.00 1.34 0.00 0.00 72.50 71.05 1lxd s THR 37 CO 0.10 -0.17 2.03 0.28 -0.54 0.00 0.00 174.62 176.31 1lxd h SER 38 N -1.23 0.00 0.44 3.99 0.02 -1.45 -2.85 113.55 112.46 1lxd h SER 38 Ca -0.48 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1lxd h SER 38 Cb 1.31 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.85 1lxd h SER 38 CO 0.62 0.00 -1.39 1.67 -1.14 0.00 0.00 176.83 176.59 1lxd n GLN 39 N -2.89 0.52 -1.91 3.45 -0.06 -1.26 -4.87 117.38 110.36 1lxd n GLN 39 Ca -0.02 -0.04 -0.42 0.00 -2.00 0.00 0.00 57.00 54.52 1lxd n GLN 39 Cb 0.27 -1.64 -0.03 0.00 -4.06 0.00 0.00 30.24 24.78 1lxd n GLN 39 CO 0.00 0.00 0.00 -0.51 -0.20 0.00 0.00 177.06 176.35 1lxd s ASP 40 N -4.60 6.44 0.53 1.69 1.01 -1.08 -4.95 116.67 115.72 1lxd s ASP 40 Ca -0.02 2.18 -0.07 0.00 0.71 0.00 0.00 52.55 55.34 1lxd s ASP 40 Cb 0.13 -2.53 -0.04 0.00 1.01 0.00 0.00 42.92 41.49 1lxd s ASP 40 CO 0.84 -1.12 0.87 -0.54 0.21 0.00 0.00 175.17 175.43 1lxd s LYS 41 N 4.48 3.57 0.32 8.23 1.02 -1.26 -0.97 119.74 135.13 1lxd s LYS 41 Ca 0.79 0.40 0.09 0.00 0.02 0.00 0.00 55.97 57.27 1lxd s LYS 41 Cb -0.34 -2.27 0.89 0.00 -0.52 0.00 0.00 37.83 35.59 1lxd s LYS 41 CO 0.33 -0.32 1.70 0.00 -0.92 0.00 0.00 175.35 176.13 1lxd h ALA 42 N 0.08 1.72 -0.04 5.17 0.00 -1.34 -2.60 119.26 122.25 1lxd h ALA 42 Ca -0.46 0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.51 1lxd h ALA 42 Cb 1.20 0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1lxd h ALA 42 CO 0.62 -0.39 -0.46 -1.35 0.00 0.00 0.00 179.25 177.68 1lxd h PRO 43 N 0.44 0.08 -0.16 0.00 0.11 -1.89 -1.20 132.00 129.37 1lxd h PRO 43 Ca 0.64 -0.04 -0.13 0.00 0.11 0.00 0.00 66.00 66.58 1lxd h PRO 43 Cb 1.31 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.42 1lxd h PRO 43 CO -0.54 0.53 -0.41 1.15 -0.21 0.00 0.00 178.00 178.52 1lxd h THR 44 N 0.07 1.34 -0.10 -1.15 2.02 -1.88 -1.18 112.91 112.04 1lxd h THR 44 Ca 0.00 -1.67 -0.12 0.00 0.77 0.00 0.00 66.41 65.39 1lxd h THR 44 Cb 0.84 1.98 -0.01 0.00 -1.74 0.00 0.00 68.15 69.21 1lxd h THR 44 CO 0.06 0.51 -0.48 0.58 0.37 0.00 0.00 175.52 176.56 1lxd h VAL 45 N 0.22 1.34 -0.26 3.16 2.07 -1.42 -1.53 116.25 119.82 1lxd h VAL 45 Ca -0.01 -1.70 -0.09 0.00 0.82 0.00 0.00 66.70 65.73 1lxd h VAL 45 Cb 1.03 1.80 -0.01 0.00 -1.52 0.00 0.00 31.29 32.59 1lxd h VAL 45 CO 0.09 0.51 -0.18 0.40 0.02 0.00 0.00 177.57 178.40 1lxd h ILE 46 N 0.20 1.31 -0.55 4.57 2.04 -1.25 -1.12 117.51 122.70 1lxd h ILE 46 Ca 0.01 -1.31 0.10 0.00 1.00 0.00 0.00 64.86 64.66 1lxd h ILE 46 Cb 0.93 1.59 -0.07 0.00 -0.74 0.00 0.00 36.82 38.53 1lxd h ILE 46 CO 0.08 0.41 0.14 -0.09 0.00 0.00 0.00 178.15 178.69 1lxd h ARG 47 N 0.30 0.28 -0.39 2.37 2.43 -1.09 0.71 114.38 118.98 1lxd h ARG 47 Ca 0.05 -0.02 0.05 0.00 -0.81 0.00 0.00 59.98 59.25 1lxd h ARG 47 Cb 0.72 -0.06 -0.05 0.00 -0.42 0.00 0.00 29.97 30.16 1lxd h ARG 47 CO 0.05 0.18 0.12 0.87 -1.51 0.00 0.00 179.97 179.68 1lxd h LYS 48 N 0.28 0.26 -0.22 0.20 6.56 -1.31 -0.63 116.57 121.72 1lxd h LYS 48 Ca 0.28 -0.02 -0.08 0.00 -1.06 0.00 0.00 60.65 59.78 1lxd h LYS 48 Cb 0.39 -0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 1lxd h LYS 48 CO -0.34 0.17 -0.20 0.00 -2.06 0.00 0.00 179.45 177.02 1lxd h ALA 49 N 1.26 1.25 -0.36 3.86 0.00 -0.95 -1.58 119.26 122.74 1lxd h ALA 49 Ca 0.18 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1lxd h ALA 49 Cb 0.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1lxd h ALA 49 CO -0.20 0.49 -0.17 0.52 0.00 0.00 0.00 179.25 179.89 1lxd h MET 50 N 0.36 0.76 -0.31 0.00 2.86 -0.83 -3.16 114.93 114.61 1lxd h MET 50 Ca 0.06 -0.33 0.04 0.00 -2.06 0.00 0.00 59.70 57.42 1lxd h MET 50 Cb 0.55 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 32.15 1lxd h MET 50 CO 0.04 0.94 0.08 -0.44 1.06 0.00 0.00 176.91 178.58 1lxd h ASP 51 N 0.55 0.04 0.00 1.22 3.32 -0.99 0.99 116.42 121.54 1lxd h ASP 51 Ca 0.08 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.18 1lxd h ASP 51 Cb 0.71 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.31 1lxd h ASP 51 CO 0.05 0.06 0.25 0.11 -1.72 0.00 0.00 179.24 177.99 1lxd h LYS 52 N 0.19 0.00 0.00 3.56 1.79 -1.32 -1.86 116.57 118.93 1lxd h LYS 52 Ca 0.14 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.61 1lxd h LYS 52 Cb 0.14 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 1lxd h LYS 52 CO -0.18 0.00 -0.01 0.72 -1.08 0.00 0.00 179.45 178.91 1lxd n HIS 53 N -2.13 0.00 -4.00 -1.35 8.25 -0.98 -4.96 115.22 110.05 1lxd n HIS 53 Ca -0.01 -0.52 -0.30 0.00 -0.26 0.00 0.00 57.72 56.63 1lxd n HIS 53 Cb 0.28 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.31 1lxd n HIS 53 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 1lxd n ASN 54 N -0.57 -1.44 -3.79 0.41 5.15 -0.63 -4.89 115.26 109.50 1lxd n ASN 54 Ca 0.02 -1.10 -0.42 0.00 -0.60 0.00 0.00 54.58 52.47 1lxd n ASN 54 Cb 0.32 -2.63 0.00 0.00 -0.53 0.00 0.00 39.78 36.94 1lxd n ASN 54 CO 0.00 0.00 0.00 0.18 1.40 0.00 0.00 177.26 178.84 1lxd n LEU 55 N -4.49 6.93 0.00 1.20 4.77 0.25 -4.15 117.00 121.50 1lxd n LEU 55 Ca -0.25 -4.69 0.09 0.00 -0.03 0.00 0.00 56.01 51.13 1lxd n LEU 55 Cb 0.66 -1.46 0.47 0.00 -2.33 0.00 0.00 43.42 40.76 1lxd n LEU 55 CO 0.76 1.51 0.79 0.47 -1.33 0.00 0.00 177.39 179.59 1lxd n ASP 56 N 3.45 0.00 -3.33 -1.43 8.00 -1.26 -3.11 116.55 118.87 1lxd n ASP 56 Ca 0.44 0.06 -0.39 0.00 0.71 0.00 0.00 54.79 55.61 1lxd n ASP 56 Cb 0.34 -0.30 -0.03 0.00 -0.02 0.00 0.00 41.12 41.11 1lxd n ASP 56 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1lxd n GLU 57 N -1.30 3.91 -1.46 -1.24 1.02 -1.26 -4.88 120.64 115.43 1lxd n GLU 57 Ca 0.09 -2.51 0.01 0.00 -0.02 0.00 0.00 57.16 54.72 1lxd n GLU 57 Cb 0.16 -2.74 -0.01 0.00 -0.02 0.00 0.00 31.44 28.83 1lxd n GLU 57 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1lxd n ASP 58 N 3.07 -6.65 0.00 1.62 9.92 -1.18 -5.08 116.55 118.25 1lxd n ASP 58 Ca 0.74 1.46 0.00 0.00 -0.53 0.00 0.00 54.79 56.46 1lxd n ASP 58 Cb 0.24 -4.38 0.00 0.00 -0.64 0.00 0.00 41.12 36.35 1lxd n ASP 58 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1lxd n GLU 59 N -2.61 0.00 0.24 -1.24 1.02 -1.26 -4.83 120.64 111.96 1lxd n GLU 59 Ca -0.01 0.00 0.13 0.00 -0.02 0.00 0.00 57.16 57.27 1lxd n GLU 59 Cb 0.39 0.00 0.77 0.00 -0.02 0.00 0.00 31.44 32.58 1lxd n GLU 59 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 1lxd h PRO 60 N 0.00 0.00 0.00 3.49 0.11 -1.94 -0.27 132.00 133.39 1lxd h PRO 60 Ca 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.07 1lxd h PRO 60 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 1lxd h PRO 60 CO 0.00 0.00 -0.17 1.05 -0.21 0.00 0.00 178.00 178.67 1lxd h GLU 61 N 0.00 0.00 0.00 1.05 9.09 -1.98 -2.89 114.58 119.86 1lxd h GLU 61 Ca 0.04 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.45 1lxd h GLU 61 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1lxd h GLU 61 CO -0.00 0.17 0.00 -0.25 0.05 0.00 0.00 179.01 178.98 1lxd n ASP 62 N -3.91 0.00 -4.10 3.06 8.00 -0.11 -4.81 116.55 114.68 1lxd n ASP 62 Ca -0.02 0.27 -0.29 0.00 0.71 0.00 0.00 54.79 55.47 1lxd n ASP 62 Cb 0.26 -0.39 -0.17 0.00 -0.02 0.00 0.00 41.12 40.81 1lxd n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1lxd s TYR 63 N -2.78 2.06 0.20 1.24 2.02 -1.09 -0.28 117.35 118.72 1lxd s TYR 63 Ca 0.11 -0.89 0.04 0.00 -0.37 0.00 0.00 57.07 55.96 1lxd s TYR 63 Cb 0.10 -1.44 -0.03 0.00 -0.40 0.00 0.00 41.96 40.19 1lxd s TYR 63 CO 0.26 -0.42 0.33 -1.83 -1.57 0.00 0.00 175.55 172.32 1lxd s GLU 64 N 0.69 3.44 -0.16 -0.62 -1.05 0.47 -4.89 118.70 116.59 1lxd s GLU 64 Ca -0.12 -0.67 -0.03 0.00 -0.15 0.00 0.00 54.97 54.00 1lxd s GLU 64 Cb -0.16 -2.92 -0.02 0.00 -0.44 0.00 0.00 34.13 30.59 1lxd s GLU 64 CO 0.03 0.46 -0.06 -1.17 0.95 0.00 0.00 175.26 175.47 1lxd s LEU 65 N -3.64 3.06 -0.05 1.83 2.96 -1.26 -1.09 118.68 120.48 1lxd s LEU 65 Ca 0.34 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 54.09 1lxd s LEU 65 Cb -0.10 -1.73 -0.01 0.00 0.50 0.00 0.00 46.19 44.86 1lxd s LEU 65 CO 0.29 0.14 -0.20 -0.76 -1.32 0.00 0.00 176.35 174.50 1lxd s LEU 66 N 0.50 1.97 0.00 -0.68 2.01 -0.42 -1.36 118.68 120.72 1lxd s LEU 66 Ca -0.05 -0.41 -0.30 0.00 0.01 0.00 0.00 54.13 53.38 1lxd s LEU 66 Cb -0.15 -1.12 -0.04 0.00 0.01 0.00 0.00 46.19 44.90 1lxd s LEU 66 CO 0.03 0.19 1.06 -1.58 1.01 0.00 0.00 176.35 177.06 1lxd s GLN 67 N -0.03 4.50 -0.86 1.70 0.74 0.30 -0.25 119.66 125.75 1lxd s GLN 67 Ca -0.04 1.53 -0.25 0.00 0.05 0.00 0.00 55.36 56.66 1lxd s GLN 67 Cb -0.12 -3.44 -0.01 0.00 1.10 0.00 0.00 33.01 30.54 1lxd s GLN 67 CO 0.03 -0.16 1.70 0.42 -0.55 0.00 0.00 175.29 176.73 1lxd s ILE 68 N 1.20 3.60 0.16 -2.34 1.09 0.10 -0.61 121.20 124.40 1lxd s ILE 68 Ca 0.54 -0.26 -0.10 0.00 -1.10 0.00 0.00 60.65 59.72 1lxd s ILE 68 Cb -0.23 -4.40 0.02 0.00 -1.06 0.00 0.00 42.46 36.78 1lxd s ILE 68 CO 0.27 -1.33 1.57 0.40 -0.10 0.00 0.00 174.94 175.74 1lxd h ILE 69 N 6.90 1.27 -2.28 2.92 1.08 -1.40 -3.41 117.51 122.58 1lxd h ILE 69 Ca 0.01 -1.32 0.26 0.00 -0.39 0.00 0.00 64.86 63.42 1lxd h ILE 69 Cb 1.04 1.05 -0.05 0.00 -3.07 0.00 0.00 36.82 35.78 1lxd h ILE 69 CO 1.28 0.46 0.76 -0.94 -0.69 0.00 0.00 178.15 179.02 1lxd s SER 70 N -6.67 0.00 0.41 1.72 1.04 -1.00 -4.79 113.70 104.42 1lxd s SER 70 Ca -0.12 -0.41 0.18 0.00 0.48 0.00 0.00 55.95 56.08 1lxd s SER 70 Cb 0.12 0.31 1.09 0.00 0.10 0.00 0.00 66.02 67.64 1lxd s SER 70 CO 0.87 -0.61 1.82 -0.33 0.98 0.00 0.00 173.24 175.97 1lxd h GLU 71 N 2.00 0.39 -0.06 4.02 4.39 -2.02 -2.08 114.58 121.23 1lxd h GLU 71 Ca -0.25 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.43 1lxd h GLU 71 Cb 1.20 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.76 1lxd h GLU 71 CO 0.33 0.26 0.00 -0.25 -1.16 0.00 0.00 179.01 178.19 1lxd n ASP 72 N -4.54 2.56 -3.61 1.42 8.00 -1.26 -4.90 116.55 114.21 1lxd n ASP 72 Ca 0.22 -1.85 -0.14 0.00 0.71 0.00 0.00 54.79 53.73 1lxd n ASP 72 Cb 0.77 -0.02 -0.13 0.00 -0.02 0.00 0.00 41.12 41.72 1lxd n ASP 72 CO 0.00 0.00 0.00 -2.28 -0.39 0.00 0.00 177.20 174.53 1lxd s HIS 73 N -1.96 -0.42 -0.20 1.24 2.46 -0.78 -5.12 115.29 110.52 1lxd s HIS 73 Ca 0.32 0.82 -0.05 0.00 0.47 0.00 0.00 55.06 56.62 1lxd s HIS 73 Cb 0.20 -0.10 -0.03 0.00 -0.13 0.00 0.00 32.58 32.53 1lxd s HIS 73 CO 0.31 -0.42 -0.00 0.15 -2.47 0.00 0.00 174.74 172.31 1lxd s LYS 74 N 2.41 3.64 -0.33 2.88 1.02 -1.26 -1.06 119.74 127.04 1lxd s LYS 74 Ca 0.03 -0.51 -0.20 0.00 0.02 0.00 0.00 55.97 55.30 1lxd s LYS 74 Cb -0.13 -3.07 -0.00 0.00 -0.52 0.00 0.00 37.83 34.11 1lxd s LYS 74 CO -0.10 0.05 0.64 -1.17 -0.92 0.00 0.00 175.35 173.84 1lxd s LEU 75 N 0.91 4.19 -0.25 3.17 0.20 0.22 -4.89 118.68 122.24 1lxd s LEU 75 Ca 0.01 0.31 -0.29 0.00 0.69 0.00 0.00 54.13 54.85 1lxd s LEU 75 Cb -0.14 -2.81 0.01 0.00 -0.43 0.00 0.00 46.19 42.82 1lxd s LEU 75 CO 0.02 -0.53 1.06 -0.75 -0.29 0.00 0.00 176.35 175.86 1lxd s LYS 76 N 2.66 4.22 -0.33 1.98 2.20 -1.26 -0.54 119.74 128.66 1lxd s LYS 76 Ca 0.25 1.32 -0.29 0.00 -0.36 0.00 0.00 55.97 56.89 1lxd s LYS 76 Cb -0.15 -3.67 0.01 0.00 -1.51 0.00 0.00 37.83 32.51 1lxd s LYS 76 CO 0.13 -0.69 1.29 0.42 -0.36 0.00 0.00 175.35 176.13 1lxd s ILE 77 N 3.32 4.14 0.66 5.43 -1.09 -0.46 -4.99 121.20 128.21 1lxd s ILE 77 Ca 0.45 1.26 -0.18 0.00 -2.23 0.00 0.00 60.65 59.96 1lxd s ILE 77 Cb -0.15 -4.21 -0.01 0.00 -1.58 0.00 0.00 42.46 36.51 1lxd s ILE 77 CO 0.09 -0.55 1.16 -0.81 -1.23 0.00 0.00 174.94 173.59 1lxd n PRO 78 N 7.43 0.93 -0.33 2.79 -0.04 -1.26 -4.55 135.00 139.97 1lxd n PRO 78 Ca 0.15 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.12 1lxd n PRO 78 Cb 0.47 -2.39 0.36 0.00 -0.04 0.00 0.00 33.50 31.90 1lxd n PRO 78 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 1lxd h GLU 79 N 0.33 0.68 0.00 0.54 3.07 -2.00 -0.84 114.58 116.36 1lxd h GLU 79 Ca -0.50 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.32 1lxd h GLU 79 Cb 1.34 -0.15 0.00 0.00 -0.84 0.00 0.00 28.75 29.10 1lxd h GLU 79 CO 0.51 0.45 -0.02 -1.71 -1.40 0.00 0.00 179.01 176.84 1lxd n ASN 80 N -4.68 2.10 -4.76 1.42 2.85 -1.26 -4.41 115.26 106.51 1lxd n ASN 80 Ca 0.22 -2.66 -0.39 0.00 -0.11 0.00 0.00 54.58 51.64 1lxd n ASN 80 Cb 0.58 -0.28 0.00 0.00 1.24 0.00 0.00 39.78 41.33 1lxd n ASN 80 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1lxd s ALA 81 N -2.11 3.13 -0.27 5.20 0.00 -0.32 -4.64 121.76 122.74 1lxd s ALA 81 Ca 0.20 1.20 -0.29 0.00 0.00 0.00 0.00 51.96 53.07 1lxd s ALA 81 Cb 0.17 -3.48 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1lxd s ALA 81 CO 0.02 -0.90 2.25 -1.71 0.00 0.00 0.00 175.76 175.42 1lxd n ASN 82 N -0.21 3.02 -0.13 0.00 2.85 -1.26 -1.05 115.26 118.48 1lxd n ASN 82 Ca 0.06 0.14 -0.04 0.00 -0.11 0.00 0.00 54.58 54.62 1lxd n ASN 82 Cb 0.45 -1.53 0.04 0.00 1.24 0.00 0.00 39.78 39.98 1lxd n ASN 82 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 1lxd h VAL 83 N 7.22 0.81 -1.03 3.44 2.07 -1.35 -0.85 116.25 126.56 1lxd h VAL 83 Ca -0.37 -0.09 0.27 0.00 0.82 0.00 0.00 66.70 67.32 1lxd h VAL 83 Cb 1.25 0.54 -0.09 0.00 -1.52 0.00 0.00 31.29 31.47 1lxd h VAL 83 CO 0.99 0.05 0.68 0.15 0.02 0.00 0.00 177.57 179.45 1lxd h PHE 84 N 0.25 0.58 0.00 1.57 3.57 -1.81 -1.68 116.94 119.43 1lxd h PHE 84 Ca 0.20 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.66 1lxd h PHE 84 Cb 0.23 -0.17 -0.01 0.00 2.79 0.00 0.00 35.95 38.79 1lxd h PHE 84 CO -0.18 0.06 -1.77 0.66 -2.23 0.00 0.00 178.31 174.85 1lxd n TYR 85 N -4.57 0.00 0.14 0.41 4.01 -1.06 -4.41 117.16 111.68 1lxd n TYR 85 Ca 0.25 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 58.01 1lxd n TYR 85 Cb 0.89 -0.43 0.05 0.00 -0.31 0.00 0.00 39.34 39.54 1lxd n TYR 85 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1lxd h ALA 86 N 1.25 0.70 -2.72 -0.72 0.00 -1.10 -3.47 119.26 113.20 1lxd h ALA 86 Ca -0.09 -0.44 -0.52 0.00 0.00 0.00 0.00 54.91 53.85 1lxd h ALA 86 Cb 0.98 -0.08 0.12 0.00 0.00 0.00 0.00 17.79 18.80 1lxd h ALA 86 CO 0.00 0.61 0.44 0.00 0.00 0.00 0.00 179.25 180.30 1lxd s MET 87 N -3.01 2.81 -0.79 0.00 0.23 -0.64 -4.97 119.30 112.93 1lxd s MET 87 Ca 0.04 1.72 -0.26 0.00 -1.03 0.00 0.00 55.69 56.16 1lxd s MET 87 Cb 0.08 -1.92 0.04 0.00 -1.53 0.00 0.00 34.83 31.49 1lxd s MET 87 CO 0.74 -1.31 1.29 1.21 -2.03 0.00 0.00 175.02 174.92 1lxd s ASN 88 N -1.87 6.23 0.00 -1.18 3.84 -1.26 -4.89 114.94 115.81 1lxd s ASN 88 Ca 0.75 -0.69 0.04 0.00 0.21 0.00 0.00 52.86 53.17 1lxd s ASN 88 Cb -0.28 -2.55 0.22 0.00 -0.55 0.00 0.00 41.25 38.09 1lxd s ASN 88 CO 0.36 -1.75 0.85 -1.20 -2.79 0.00 0.00 177.10 172.58 1lxd n SER 89 N 9.16 0.00 0.02 -4.21 7.64 -1.26 -1.81 113.62 123.16 1lxd n SER 89 Ca 0.08 -1.26 0.11 0.00 1.01 0.00 0.00 58.87 58.82 1lxd n SER 89 Cb 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.69 1lxd n SER 89 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1lxd n ALA 90 N -0.58 3.48 -2.21 -0.43 0.00 -1.26 -4.99 120.51 114.51 1lxd n ALA 90 Ca 0.03 -0.43 -0.24 0.00 0.00 0.00 0.00 53.44 52.80 1lxd n ALA 90 Cb 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 19.45 18.54 1lxd n ALA 90 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lxd s ALA 91 N -3.20 3.66 0.24 0.00 0.00 -0.75 -5.06 121.76 116.65 1lxd s ALA 91 Ca 0.03 -1.01 -0.30 0.00 0.00 0.00 0.00 51.96 50.69 1lxd s ALA 91 Cb 0.14 -2.25 -0.10 0.00 0.00 0.00 0.00 23.12 20.92 1lxd s ALA 91 CO 0.81 -0.54 1.37 0.54 0.00 0.00 0.00 175.76 177.94 1lxd s ASN 92 N -4.27 6.77 0.00 0.00 6.03 -1.26 -4.89 114.94 117.32 1lxd s ASN 92 Ca 0.51 2.57 0.00 0.00 -1.03 0.00 0.00 52.86 54.91 1lxd s ASN 92 Cb -0.10 -2.62 0.00 0.00 -3.03 0.00 0.00 41.25 35.50 1lxd s ASN 92 CO 0.40 -0.61 0.47 -1.22 -2.03 0.00 0.00 177.10 174.11 1lxd n TYR 93 N 2.20 0.00 -3.94 1.54 4.01 -1.26 -4.69 117.16 115.02 1lxd n TYR 93 Ca 0.05 -0.24 -0.35 0.00 -0.16 0.00 0.00 57.90 57.20 1lxd n TYR 93 Cb 0.41 -0.29 -0.11 0.00 -0.31 0.00 0.00 39.34 39.04 1lxd n TYR 93 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1lxd s ASP 94 N 1.90 5.43 0.06 7.72 1.01 -1.26 -0.84 116.67 130.69 1lxd s ASP 94 Ca 0.00 -0.03 0.05 0.00 0.71 0.00 0.00 52.55 53.28 1lxd s ASP 94 Cb 0.00 -1.95 -0.03 0.00 1.01 0.00 0.00 42.92 41.96 1lxd s ASP 94 CO 0.00 0.09 -0.15 -0.36 0.21 0.00 0.00 175.17 174.96 1lxd s PHE 95 N 0.86 1.28 -0.16 4.23 0.40 -0.37 0.02 117.98 124.24 1lxd s PHE 95 Ca 0.04 -0.42 -0.09 0.00 -0.60 0.00 0.00 56.93 55.86 1lxd s PHE 95 Cb -0.14 -0.73 -0.05 0.00 0.51 0.00 0.00 43.02 42.62 1lxd s PHE 95 CO 0.02 0.06 0.14 0.42 0.70 0.00 0.00 175.22 176.57 1lxd s ILE 96 N -1.12 5.46 -0.58 0.64 -1.09 0.65 -1.16 121.20 123.99 1lxd s ILE 96 Ca 0.00 0.21 -0.19 0.00 -2.23 0.00 0.00 60.65 58.44 1lxd s ILE 96 Cb -0.09 -3.44 0.10 0.00 -1.58 0.00 0.00 42.46 37.45 1lxd s ILE 96 CO 0.02 0.53 0.68 -0.22 -1.23 0.00 0.00 174.94 174.72 1lxd s LEU 97 N -0.33 5.40 -0.27 2.97 2.96 0.55 -1.29 118.68 128.66 1lxd s LEU 97 Ca 0.12 -1.39 -0.12 0.00 -0.22 0.00 0.00 54.13 52.51 1lxd s LEU 97 Cb -0.12 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.22 1lxd s LEU 97 CO 0.01 -1.06 0.23 -0.75 -1.32 0.00 0.00 176.35 173.45 1lxd s LYS 98 N 2.59 3.98 -0.77 1.98 2.20 -0.25 -1.04 119.74 128.43 1lxd s LYS 98 Ca 0.11 -0.23 -0.26 0.00 -0.36 0.00 0.00 55.97 55.24 1lxd s LYS 98 Cb -0.24 -3.64 -0.01 0.00 -1.51 0.00 0.00 37.83 32.43 1lxd s LYS 98 CO 0.07 -0.16 1.69 0.21 -0.36 0.00 0.00 175.35 176.79 1lxd s LYS 99 N 1.72 2.87 0.00 4.03 2.20 -1.26 -0.39 119.74 128.90 1lxd s LYS 99 Ca 0.09 -0.04 0.00 0.00 -0.36 0.00 0.00 55.97 55.66 1lxd s LYS 99 Cb -0.16 -4.63 0.00 0.00 -1.51 0.00 0.00 37.83 31.54 1lxd s LYS 99 CO 0.10 -2.67 0.46 -2.13 -0.36 0.00 0.00 175.35 170.74