#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 5.50 0.29 1.61 1.01 -1.26 -4.96 116.67 118.86 1lxd s ASP 15 Ca 0.00 2.05 -0.15 0.00 0.71 0.00 0.00 52.55 55.17 1lxd s ASP 15 Cb 0.00 -2.56 0.01 0.00 1.01 0.00 0.00 42.92 41.38 1lxd s ASP 15 CO 0.00 -1.37 0.61 0.00 0.21 0.00 0.00 175.17 174.62 1lxd s ILE 18 N -0.21 4.45 -0.17 0.00 1.01 -1.26 -0.54 121.20 124.49 1lxd s ILE 18 Ca -0.02 0.24 -0.08 0.00 0.00 0.00 0.00 60.65 60.79 1lxd s ILE 18 Cb -0.02 -4.50 -0.04 0.00 0.01 0.00 0.00 42.46 37.91 1lxd s ILE 18 CO -0.00 -1.05 0.10 -0.63 0.00 0.00 0.00 174.94 173.36 1lxd s ILE 19 N 3.77 5.14 -0.15 2.92 1.01 -0.41 -4.96 121.20 128.53 1lxd s ILE 19 Ca 0.29 0.09 -0.06 0.00 0.00 0.00 0.00 60.65 60.97 1lxd s ILE 19 Cb -0.13 -3.30 -0.04 0.00 0.01 0.00 0.00 42.46 39.00 1lxd s ILE 19 CO 0.19 0.50 0.06 0.00 0.00 0.00 0.00 174.94 175.69 1lxd s ARG 20 N -0.02 3.64 -0.12 2.79 1.04 -0.94 -0.46 118.95 124.89 1lxd s ARG 20 Ca 0.08 -0.32 0.01 0.00 -1.04 0.00 0.00 55.73 54.46 1lxd s ARG 20 Cb -0.12 -3.11 -0.01 0.00 -2.04 0.00 0.00 34.95 29.67 1lxd s ARG 20 CO 0.00 0.48 -0.15 0.08 -0.04 0.00 0.00 175.30 175.67 1lxd s VAL 21 N -0.21 2.91 0.30 4.99 1.01 0.84 -1.14 120.40 129.11 1lxd s VAL 21 Ca 0.08 -0.72 0.01 0.00 0.00 0.00 0.00 61.98 61.34 1lxd s VAL 21 Cb -0.12 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.07 1lxd s VAL 21 CO 0.01 0.54 0.07 -0.24 0.00 0.00 0.00 175.10 175.48 1lxd n SER 22 N 3.38 2.56 -4.83 3.32 2.88 0.50 -1.46 113.62 119.96 1lxd n SER 22 Ca -0.18 -2.22 -0.25 0.00 -1.33 0.00 0.00 58.87 54.88 1lxd n SER 22 Cb 0.53 0.13 -0.05 0.00 -0.75 0.00 0.00 64.21 64.07 1lxd n SER 22 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1lxd s LEU 23 N 0.00 3.92 0.00 2.46 1.02 -1.26 -0.26 118.68 124.56 1lxd s LEU 23 Ca 0.06 -0.08 0.09 0.00 0.02 0.00 0.00 54.13 54.21 1lxd s LEU 23 Cb -0.00 -2.51 0.52 0.00 0.02 0.00 0.00 46.19 44.21 1lxd s LEU 23 CO 0.04 0.05 1.05 -0.67 0.02 0.00 0.00 176.35 176.83 1lxd n ASP 24 N -0.54 0.00 0.00 2.29 2.03 -1.05 -4.81 116.55 114.48 1lxd n ASP 24 Ca -0.08 -1.01 0.00 0.00 0.52 0.00 0.00 54.79 54.22 1lxd n ASP 24 Cb 0.55 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.95 1lxd n ASP 24 CO 0.00 0.00 0.00 0.55 -1.92 0.00 0.00 177.20 175.83 1lxd n VAL 25 N -0.71 0.00 -2.65 5.18 3.14 -1.26 -4.87 118.33 117.16 1lxd n VAL 25 Ca 0.07 0.00 -0.42 0.00 -2.96 0.00 0.00 64.34 61.03 1lxd n VAL 25 Cb 0.03 0.00 -0.03 0.00 -1.06 0.00 0.00 33.84 32.78 1lxd n VAL 25 CO 0.00 0.00 0.00 -1.81 -6.46 0.00 0.00 176.83 168.56 1lxd s ASP 26 N -1.00 6.35 0.00 6.55 1.11 -1.26 -4.87 116.67 123.56 1lxd s ASP 26 Ca 0.00 -1.12 0.00 0.00 0.18 0.00 0.00 52.55 51.61 1lxd s ASP 26 Cb 0.00 -2.52 0.00 0.00 1.07 0.00 0.00 42.92 41.47 1lxd s ASP 26 CO 0.00 -1.55 0.00 0.59 1.18 0.00 0.00 175.17 175.39 1lxd n ASN 27 N 8.56 0.00 -4.21 0.27 3.02 -1.26 -4.83 115.26 116.81 1lxd n ASN 27 Ca 0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.37 1lxd n ASN 27 Cb 0.49 0.00 -0.15 0.00 -0.61 0.00 0.00 39.78 39.51 1lxd n ASN 27 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1lxd s GLY 28 N 0.00 1.48 -0.95 7.41 0.00 -1.26 -5.07 107.32 108.92 1lxd s GLY 28 Ca 0.00 -1.17 -0.24 0.00 0.00 0.00 0.00 44.72 43.31 1lxd s GLY 28 CO 0.00 0.28 1.87 0.21 0.00 0.00 0.00 173.10 175.46 1lxd s ASN 29 N 1.27 5.37 -0.69 1.64 3.84 -1.26 -4.95 114.94 120.16 1lxd s ASN 29 Ca 0.03 -0.92 -0.24 0.00 0.21 0.00 0.00 52.86 51.94 1lxd s ASN 29 Cb -0.14 -2.56 0.06 0.00 -0.55 0.00 0.00 41.25 38.06 1lxd s ASN 29 CO -0.07 -2.56 1.06 -0.32 -2.79 0.00 0.00 177.10 172.42 1lxd s MET 30 N 6.59 3.14 0.34 0.43 -2.45 -1.26 -5.06 119.30 121.04 1lxd s MET 30 Ca 0.66 -0.67 -0.26 0.00 -1.25 0.00 0.00 55.69 54.17 1lxd s MET 30 Cb -0.05 -4.23 -0.09 0.00 1.25 0.00 0.00 34.83 31.71 1lxd s MET 30 CO -0.01 -1.92 1.03 1.52 1.05 0.00 0.00 175.02 176.70 1lxd s TYR 31 N 4.54 3.48 -0.07 4.11 1.13 -1.26 -4.36 117.35 124.92 1lxd s TYR 31 Ca 0.26 1.70 0.01 0.00 -1.41 0.00 0.00 57.07 57.64 1lxd s TYR 31 Cb -0.14 -3.12 0.02 0.00 -1.10 0.00 0.00 41.96 37.62 1lxd s TYR 31 CO 0.11 -0.37 -0.09 0.15 -2.51 0.00 0.00 175.55 172.84 1lxd s LYS 32 N -2.05 1.45 0.13 -3.49 -0.14 -0.54 -4.92 119.74 110.18 1lxd s LYS 32 Ca 0.52 -0.30 -0.30 0.00 -1.36 0.00 0.00 55.97 54.52 1lxd s LYS 32 Cb -0.24 -1.31 -0.06 0.00 -1.68 0.00 0.00 37.83 34.54 1lxd s LYS 32 CO 0.31 -0.06 0.97 -1.12 -0.76 0.00 0.00 175.35 174.68 1lxd s SER 33 N 0.94 7.50 -0.01 2.83 0.01 -1.26 -0.11 113.70 123.61 1lxd s SER 33 Ca -0.10 1.82 0.08 0.00 1.31 0.00 0.00 55.95 59.06 1lxd s SER 33 Cb -0.15 -2.59 -0.02 0.00 0.21 0.00 0.00 66.02 63.47 1lxd s SER 33 CO 0.01 -0.05 -0.25 -0.63 0.41 0.00 0.00 173.24 172.73 1lxd s ILE 34 N -0.12 1.96 -0.39 1.44 1.01 0.39 -4.99 121.20 120.50 1lxd s ILE 34 Ca 0.46 -1.11 -0.27 0.00 0.00 0.00 0.00 60.65 59.73 1lxd s ILE 34 Cb -0.24 -1.64 0.02 0.00 0.01 0.00 0.00 42.46 40.62 1lxd s ILE 34 CO 0.30 0.50 1.02 -0.22 0.00 0.00 0.00 174.94 176.55 1lxd s LEU 35 N -0.71 3.89 -0.26 2.97 0.20 -1.26 -1.29 118.68 122.22 1lxd s LEU 35 Ca 0.10 0.64 -0.09 0.00 0.69 0.00 0.00 54.13 55.46 1lxd s LEU 35 Cb -0.10 -3.41 -0.04 0.00 -0.43 0.00 0.00 46.19 42.22 1lxd s LEU 35 CO -0.00 -0.98 0.13 -0.69 -0.29 0.00 0.00 176.35 174.51 1lxd s VAL 36 N 3.80 4.80 0.41 1.68 1.01 0.30 -4.99 120.40 127.41 1lxd s VAL 36 Ca 0.42 -0.01 -0.09 0.00 0.00 0.00 0.00 61.98 62.31 1lxd s VAL 36 Cb -0.11 -3.26 -0.06 0.00 0.00 0.00 0.00 36.38 32.95 1lxd s VAL 36 CO 0.22 0.30 0.76 -0.89 0.00 0.00 0.00 175.10 175.49 1lxd s THR 37 N 1.67 4.82 0.23 3.92 2.01 -1.26 -1.10 115.64 125.92 1lxd s THR 37 Ca 0.07 0.53 0.17 0.00 0.31 0.00 0.00 61.69 62.76 1lxd s THR 37 Cb -0.15 -3.75 0.26 0.00 0.01 0.00 0.00 72.50 68.86 1lxd s THR 37 CO 0.07 -0.56 0.78 -1.54 -0.69 0.00 0.00 174.62 172.69 1lxd n SER 38 N -1.41 0.10 0.04 3.53 3.41 -0.31 -1.31 113.62 117.66 1lxd n SER 38 Ca 0.02 0.68 0.12 0.00 -0.26 0.00 0.00 58.87 59.43 1lxd n SER 38 Cb 0.54 -0.34 0.22 0.00 -0.26 0.00 0.00 64.21 64.37 1lxd n SER 38 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1lxd n GLN 39 N -3.62 0.18 -2.04 4.33 -0.00 -1.26 -4.81 117.38 110.16 1lxd n GLN 39 Ca 0.20 0.05 -0.43 0.00 -0.00 0.00 0.00 57.00 56.83 1lxd n GLN 39 Cb 0.80 -1.61 -0.03 0.00 -0.00 0.00 0.00 30.24 29.41 1lxd n GLN 39 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.06 176.55 1lxd s ASP 40 N -3.73 6.50 0.31 2.61 1.01 -0.43 -4.93 116.67 118.01 1lxd s ASP 40 Ca 0.08 1.97 -0.13 0.00 0.71 0.00 0.00 52.55 55.18 1lxd s ASP 40 Cb 0.15 -2.53 -0.08 0.00 1.01 0.00 0.00 42.92 41.47 1lxd s ASP 40 CO 0.71 -1.10 0.70 -0.54 0.21 0.00 0.00 175.17 175.14 1lxd s LYS 41 N 4.38 3.93 0.19 8.23 -0.14 -1.26 -1.00 119.74 134.08 1lxd s LYS 41 Ca 0.74 0.56 -0.20 0.00 -1.36 0.00 0.00 55.97 55.70 1lxd s LYS 41 Cb -0.30 -2.48 0.15 0.00 -1.68 0.00 0.00 37.83 33.52 1lxd s LYS 41 CO 0.29 0.17 1.58 0.00 -0.76 0.00 0.00 175.35 176.64 1lxd h ALA 42 N 2.22 0.01 0.00 5.17 0.00 -1.11 -1.41 119.26 124.14 1lxd h ALA 42 Ca -0.48 0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 1lxd h ALA 42 Cb 1.17 0.80 -0.00 0.00 0.00 0.00 0.00 17.79 19.76 1lxd h ALA 42 CO 0.66 -0.66 -0.04 -1.00 0.00 0.00 0.00 179.25 178.21 1lxd h PRO 43 N -0.13 0.00 0.16 0.00 0.13 -1.89 0.51 132.00 130.78 1lxd h PRO 43 Ca 0.25 0.00 -0.29 0.00 -0.87 0.00 0.00 66.00 65.09 1lxd h PRO 43 Cb 0.56 0.00 0.01 0.00 0.13 0.00 0.00 31.00 31.70 1lxd h PRO 43 CO -0.72 0.04 -1.31 1.79 -0.23 0.00 0.00 178.00 177.58 1lxd h THR 44 N 0.00 1.44 0.03 1.56 1.35 -1.66 -0.69 112.91 114.95 1lxd h THR 44 Ca -0.00 -2.97 -0.27 0.00 -0.55 0.00 0.00 66.41 62.62 1lxd h THR 44 Cb 0.11 2.97 0.02 0.00 -1.73 0.00 0.00 68.15 69.52 1lxd h THR 44 CO 0.01 0.87 -1.07 -0.37 -0.25 0.00 0.00 175.52 174.71 1lxd h VAL 45 N 0.09 1.31 -0.39 6.82 -1.51 -1.08 -2.82 116.25 118.68 1lxd h VAL 45 Ca -0.17 -2.37 0.05 0.00 -1.23 0.00 0.00 66.70 62.98 1lxd h VAL 45 Cb 2.03 2.48 -0.05 0.00 -2.13 0.00 0.00 31.29 33.62 1lxd h VAL 45 CO 0.22 0.72 0.12 0.40 -1.23 0.00 0.00 177.57 177.81 1lxd h ILE 46 N 0.32 0.86 -0.61 7.19 2.04 -1.03 -0.43 117.51 125.86 1lxd h ILE 46 Ca -0.13 -0.09 0.10 0.00 1.00 0.00 0.00 64.86 65.73 1lxd h ILE 46 Cb 1.73 0.57 -0.11 0.00 -0.74 0.00 0.00 36.82 38.27 1lxd h ILE 46 CO 0.20 0.05 -0.39 -0.09 0.00 0.00 0.00 178.15 177.92 1lxd h ARG 47 N 0.27 -0.18 -0.52 2.37 9.65 -1.11 -0.10 114.38 124.76 1lxd h ARG 47 Ca 0.18 0.01 0.08 0.00 -1.10 0.00 0.00 59.98 59.16 1lxd h ARG 47 Cb 0.18 0.04 -0.07 0.00 -1.39 0.00 0.00 29.97 28.73 1lxd h ARG 47 CO -0.20 -0.12 0.14 0.87 2.80 0.00 0.00 179.97 183.46 1lxd h LYS 48 N -0.19 0.28 -0.74 0.20 1.57 -1.24 0.20 116.57 116.65 1lxd h LYS 48 Ca 0.21 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1lxd h LYS 48 Cb 0.56 -0.06 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 1lxd h LYS 48 CO -0.70 0.18 0.41 0.00 -0.57 0.00 0.00 179.45 178.77 1lxd h ALA 49 N 1.38 0.95 -0.40 3.86 0.00 -0.30 0.49 119.26 125.24 1lxd h ALA 49 Ca 0.26 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1lxd h ALA 49 Cb 0.33 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1lxd h ALA 49 CO -0.31 0.46 -0.22 0.00 0.00 0.00 0.00 179.25 179.18 1lxd h MET 50 N 1.02 0.85 -0.89 0.00 -0.00 -0.89 0.39 114.93 115.41 1lxd h MET 50 Ca 0.26 -0.38 -0.00 0.00 -0.00 0.00 0.00 59.70 59.57 1lxd h MET 50 Cb 0.03 -0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 31.57 1lxd h MET 50 CO -0.04 1.03 0.54 -0.44 -0.00 0.00 0.00 176.91 177.99 1lxd h ASP 51 N 0.67 1.06 0.56 -0.10 3.32 -0.74 0.06 116.42 121.24 1lxd h ASP 51 Ca 0.09 -0.06 -0.07 0.00 0.02 0.00 0.00 57.03 57.01 1lxd h ASP 51 Cb 0.78 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 40.06 1lxd h ASP 51 CO 0.06 0.81 -0.33 0.11 -1.72 0.00 0.00 179.24 178.17 1lxd h LYS 52 N 1.22 0.00 -0.01 3.56 1.57 -0.69 -2.13 116.57 120.08 1lxd h LYS 52 Ca 0.32 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.10 1lxd h LYS 52 Cb -0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1lxd h LYS 52 CO -0.06 0.33 -0.18 0.72 -0.57 0.00 0.00 179.45 179.69 1lxd n HIS 53 N -3.77 0.00 -3.62 -1.35 8.25 0.11 -4.99 115.22 109.85 1lxd n HIS 53 Ca -0.01 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.24 1lxd n HIS 53 Cb 0.42 -0.07 0.05 0.00 1.12 0.00 0.00 29.99 31.50 1lxd n HIS 53 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1lxd n ASN 54 N -0.30 -1.76 -4.45 0.41 3.02 -0.76 -5.01 115.26 106.41 1lxd n ASN 54 Ca 0.14 -0.78 -0.43 0.00 -0.03 0.00 0.00 54.58 53.48 1lxd n ASN 54 Cb 0.36 -4.31 -0.04 0.00 -0.61 0.00 0.00 39.78 35.19 1lxd n ASN 54 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1lxd s LEU 55 N -6.54 4.60 -0.03 3.41 1.43 -0.06 -4.92 118.68 116.57 1lxd s LEU 55 Ca 0.04 -1.29 0.05 0.00 -1.03 0.00 0.00 54.13 51.90 1lxd s LEU 55 Cb -0.01 -2.41 0.07 0.00 0.03 0.00 0.00 46.19 43.88 1lxd s LEU 55 CO 0.79 -1.33 1.02 -0.90 0.23 0.00 0.00 176.35 176.17 1lxd n ASP 56 N 7.35 2.00 0.09 2.29 5.68 -1.26 -4.58 116.55 128.12 1lxd n ASP 56 Ca 0.03 -2.24 0.01 0.00 -0.50 0.00 0.00 54.79 52.09 1lxd n ASP 56 Cb 0.46 -0.11 -0.02 0.00 -1.14 0.00 0.00 41.12 40.31 1lxd n ASP 56 CO 0.00 0.00 0.00 -0.33 -1.33 0.00 0.00 177.20 175.54 1lxd h GLU 57 N 0.00 0.00 -5.62 0.11 3.07 -2.02 -3.50 114.58 106.63 1lxd h GLU 57 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 1lxd h GLU 57 Cb 0.65 0.00 -0.13 0.00 -0.84 0.00 0.00 28.75 28.43 1lxd h GLU 57 CO 0.00 0.42 -0.62 -0.51 -1.40 0.00 0.00 179.01 176.90 1lxd s ASP 58 N -6.17 3.52 0.28 1.42 1.01 -1.26 -5.16 116.67 110.31 1lxd s ASP 58 Ca 0.01 -1.34 -0.14 0.00 0.71 0.00 0.00 52.55 51.79 1lxd s ASP 58 Cb 0.08 -0.32 -0.08 0.00 1.01 0.00 0.00 42.92 43.60 1lxd s ASP 58 CO 0.78 -0.43 0.68 -1.61 0.21 0.00 0.00 175.17 174.79 1lxd s GLU 59 N -3.73 3.99 0.51 8.23 0.41 -1.26 -5.02 118.70 121.82 1lxd s GLU 59 Ca 0.35 0.60 0.37 0.00 -0.41 0.00 0.00 54.97 55.87 1lxd s GLU 59 Cb 0.08 -2.57 1.52 0.00 -1.78 0.00 0.00 34.13 31.39 1lxd s GLU 59 CO 0.17 0.24 1.70 -1.35 -0.49 0.00 0.00 175.26 175.53 1lxd h PRO 60 N 2.56 0.06 -0.02 0.39 0.11 -1.95 -1.33 132.00 131.82 1lxd h PRO 60 Ca -0.48 -0.00 0.01 0.00 0.11 0.00 0.00 66.00 65.64 1lxd h PRO 60 Cb 1.18 -0.01 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1lxd h PRO 60 CO 0.66 0.04 0.02 1.05 -0.21 0.00 0.00 178.00 179.57 1lxd h GLU 61 N 0.07 0.00 0.00 1.05 4.11 -1.95 -3.04 114.58 114.81 1lxd h GLU 61 Ca 0.73 0.00 0.00 0.00 0.07 0.00 0.00 59.36 60.16 1lxd h GLU 61 Cb 2.67 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.92 1lxd h GLU 61 CO -0.13 0.00 0.00 -0.25 0.07 0.00 0.00 179.01 178.70 1lxd n ASP 62 N -3.95 0.00 -4.12 3.06 8.00 -0.50 -4.81 116.55 114.23 1lxd n ASP 62 Ca -0.02 0.47 -0.27 0.00 0.71 0.00 0.00 54.79 55.67 1lxd n ASP 62 Cb 0.11 -0.48 -0.16 0.00 -0.02 0.00 0.00 41.12 40.56 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 -2.97 1.81 0.37 1.24 1.51 -1.15 -1.94 117.35 116.22 1lxd s TYR 63 Ca 0.07 -0.62 0.08 0.00 -1.01 0.00 0.00 57.07 55.59 1lxd s TYR 63 Cb 0.09 -1.24 -0.03 0.00 -0.11 0.00 0.00 41.96 40.66 1lxd s TYR 63 CO 0.23 -0.25 0.25 -1.83 -1.11 0.00 0.00 175.55 172.85 1lxd s GLU 64 N 0.29 2.50 0.00 -0.62 -1.05 0.21 -4.94 118.70 115.10 1lxd s GLU 64 Ca -0.10 -1.50 0.03 0.00 -0.15 0.00 0.00 54.97 53.25 1lxd s GLU 64 Cb -0.14 -2.30 -0.01 0.00 -0.44 0.00 0.00 34.13 31.24 1lxd s GLU 64 CO 0.04 0.00 -0.10 -1.17 0.95 0.00 0.00 175.26 174.98 1lxd s LEU 65 N -3.97 2.06 0.00 1.83 2.96 -1.26 -0.82 118.68 119.47 1lxd s LEU 65 Ca 0.42 -0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 1lxd s LEU 65 Cb -0.03 -0.50 0.00 0.00 0.50 0.00 0.00 46.19 46.16 1lxd s LEU 65 CO 0.25 0.09 0.00 0.18 -1.32 0.00 0.00 176.35 175.55 1lxd n LEU 66 N 2.59 -0.15 -4.69 -0.68 4.32 -0.44 -0.81 117.00 117.13 1lxd n LEU 66 Ca -0.15 0.00 -0.39 0.00 -0.02 0.00 0.00 56.01 55.45 1lxd n LEU 66 Cb 0.56 -0.07 -0.06 0.00 -1.62 0.00 0.00 43.42 42.24 1lxd n LEU 66 CO 0.24 0.00 0.32 -1.58 -1.22 0.00 0.00 177.39 175.15 1lxd s GLN 67 N -2.08 4.32 -0.85 3.23 0.74 0.28 0.06 119.66 125.36 1lxd s GLN 67 Ca 0.00 0.65 -0.25 0.00 0.05 0.00 0.00 55.36 55.80 1lxd s GLN 67 Cb 0.00 -3.50 0.03 0.00 1.10 0.00 0.00 33.01 30.64 1lxd s GLN 67 CO 0.00 -0.03 1.43 0.42 -0.55 0.00 0.00 175.29 176.56 1lxd s ILE 68 N 1.20 3.76 0.12 -2.34 1.09 0.47 -1.00 121.20 124.50 1lxd s ILE 68 Ca 0.31 -0.13 -0.13 0.00 -1.10 0.00 0.00 60.65 59.60 1lxd s ILE 68 Cb -0.16 -4.84 -0.07 0.00 -1.06 0.00 0.00 42.46 36.32 1lxd s ILE 68 CO 0.13 -1.76 1.44 0.40 -0.10 0.00 0.00 174.94 175.04 1lxd h ILE 69 N 6.48 1.29 -2.23 2.92 1.08 -1.45 -3.42 117.51 122.18 1lxd h ILE 69 Ca -0.06 -1.54 0.17 0.00 -0.39 0.00 0.00 64.86 63.03 1lxd h ILE 69 Cb 1.04 1.52 -0.11 0.00 -3.07 0.00 0.00 36.82 36.19 1lxd h ILE 69 CO 1.33 0.50 0.52 -0.94 -0.69 0.00 0.00 178.15 178.88 1lxd s SER 70 N -6.72 -0.23 0.35 1.72 1.04 -0.19 -4.77 113.70 104.90 1lxd s SER 70 Ca -0.12 -0.23 -0.26 0.00 0.48 0.00 0.00 55.95 55.82 1lxd s SER 70 Cb 0.10 0.42 -0.12 0.00 0.10 0.00 0.00 66.02 66.51 1lxd s SER 70 CO 0.86 -0.74 1.07 -0.62 0.98 0.00 0.00 173.24 174.79 1lxd n GLU 71 N -0.38 1.53 -0.34 4.02 1.02 -1.26 0.59 120.64 125.81 1lxd n GLU 71 Ca -0.07 0.54 0.00 0.00 -0.02 0.00 0.00 57.16 57.61 1lxd n GLU 71 Cb 0.61 -2.03 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 1lxd n GLU 71 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1lxd n ASP 72 N 0.83 0.00 -3.67 1.62 8.00 -1.26 -4.97 116.55 117.10 1lxd n ASP 72 Ca 0.08 0.00 -0.20 0.00 0.71 0.00 0.00 54.79 55.39 1lxd n ASP 72 Cb 0.36 -1.39 -0.18 0.00 -0.02 0.00 0.00 41.12 39.89 1lxd n ASP 72 CO 0.00 0.00 0.00 -1.00 -0.39 0.00 0.00 177.20 175.81 1lxd s HIS 73 N -1.79 0.03 -0.02 1.24 3.76 0.20 -5.12 115.29 113.58 1lxd s HIS 73 Ca 0.00 0.30 0.04 0.00 -0.15 0.00 0.00 55.06 55.25 1lxd s HIS 73 Cb 0.00 -0.45 -0.01 0.00 1.11 0.00 0.00 32.58 33.23 1lxd s HIS 73 CO 0.00 -0.20 -0.14 0.15 -0.85 0.00 0.00 174.74 173.70 1lxd s LYS 74 N 2.18 1.28 -0.26 1.40 1.02 -1.26 -1.03 119.74 123.07 1lxd s LYS 74 Ca 0.05 -0.49 -0.09 0.00 0.02 0.00 0.00 55.97 55.45 1lxd s LYS 74 Cb -0.12 -1.19 -0.04 0.00 -0.52 0.00 0.00 37.83 35.96 1lxd s LYS 74 CO -0.03 0.25 0.13 -1.17 -0.92 0.00 0.00 175.35 173.61 1lxd s LEU 75 N -0.13 3.74 -0.22 3.17 2.96 -0.17 -4.93 118.68 123.10 1lxd s LEU 75 Ca 0.01 -0.10 -0.29 0.00 -0.22 0.00 0.00 54.13 53.54 1lxd s LEU 75 Cb -0.08 -2.02 0.01 0.00 0.50 0.00 0.00 46.19 44.60 1lxd s LEU 75 CO 0.00 -0.03 1.08 -0.75 -1.32 0.00 0.00 176.35 175.33 1lxd s LYS 76 N 1.63 4.25 -0.18 1.98 2.20 -1.26 -0.55 119.74 127.80 1lxd s LYS 76 Ca 0.07 1.40 -0.29 0.00 -0.36 0.00 0.00 55.97 56.78 1lxd s LYS 76 Cb -0.15 -3.67 -0.01 0.00 -1.51 0.00 0.00 37.83 32.49 1lxd s LYS 76 CO 0.07 -0.66 1.29 0.42 -0.36 0.00 0.00 175.35 176.12 1lxd s ILE 77 N 3.27 4.22 0.33 5.43 -1.09 0.01 -4.77 121.20 128.60 1lxd s ILE 77 Ca 0.46 1.46 -0.28 0.00 -2.23 0.00 0.00 60.65 60.06 1lxd s ILE 77 Cb -0.16 -3.99 -0.13 0.00 -1.58 0.00 0.00 42.46 36.60 1lxd s ILE 77 CO 0.08 -0.19 1.23 -2.65 -1.23 0.00 0.00 174.94 172.18 1lxd n PRO 78 N 6.76 1.96 -0.35 2.79 -0.02 -1.26 -4.61 135.00 140.26 1lxd n PRO 78 Ca 0.14 0.69 0.25 0.00 -2.02 0.00 0.00 63.50 62.56 1lxd n PRO 78 Cb 0.45 -2.22 0.51 0.00 -0.02 0.00 0.00 33.50 32.21 1lxd n PRO 78 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 1lxd h GLU 79 N 2.45 0.31 -0.20 -0.52 4.39 -1.95 -0.84 114.58 118.22 1lxd h GLU 79 Ca -0.45 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.23 1lxd h GLU 79 Cb 1.30 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1lxd h GLU 79 CO 0.62 0.21 0.00 0.09 -1.16 0.00 0.00 179.01 178.77 1lxd n ASN 80 N -4.86 3.49 -4.84 1.42 5.03 -1.26 -4.05 115.26 110.18 1lxd n ASN 80 Ca 0.31 -2.99 -0.32 0.00 0.87 0.00 0.00 54.58 52.44 1lxd n ASN 80 Cb 1.02 -0.50 -0.06 0.00 -1.02 0.00 0.00 39.78 39.22 1lxd n ASN 80 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1lxd s ALA 81 N -2.76 3.19 -0.16 5.41 0.00 -0.32 -4.65 121.76 122.45 1lxd s ALA 81 Ca 0.39 0.15 -0.29 0.00 0.00 0.00 0.00 51.96 52.21 1lxd s ALA 81 Cb 0.32 -2.94 -0.05 0.00 0.00 0.00 0.00 23.12 20.45 1lxd s ALA 81 CO 0.08 0.12 1.86 -0.80 0.00 0.00 0.00 175.76 177.02 1lxd s ASN 82 N -2.50 6.14 0.11 0.00 -0.87 -1.26 -0.65 114.94 115.90 1lxd s ASN 82 Ca 0.57 1.92 -0.24 0.00 -1.57 0.00 0.00 52.86 53.54 1lxd s ASN 82 Cb -0.10 -2.53 -0.08 0.00 -0.02 0.00 0.00 41.25 38.53 1lxd s ASN 82 CO 0.20 -1.41 1.67 0.58 -2.57 0.00 0.00 177.10 175.58 1lxd h VAL 83 N 6.31 0.62 -0.97 1.60 2.07 -1.38 -0.19 116.25 124.32 1lxd h VAL 83 Ca -0.39 0.00 0.31 0.00 0.82 0.00 0.00 66.70 67.44 1lxd h VAL 83 Cb 1.20 0.62 -0.16 0.00 -1.52 0.00 0.00 31.29 31.43 1lxd h VAL 83 CO 0.98 0.00 0.42 0.15 0.02 0.00 0.00 177.57 179.14 1lxd h PHE 84 N -0.27 0.66 0.00 1.57 3.57 -1.82 0.98 116.94 121.62 1lxd h PHE 84 Ca 0.04 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.59 1lxd h PHE 84 Cb 0.32 -0.13 0.00 0.00 2.79 0.00 0.00 35.95 38.93 1lxd h PHE 84 CO -0.20 -0.27 -1.58 0.66 -2.23 0.00 0.00 178.31 174.69 1lxd n TYR 85 N -5.18 0.12 0.12 0.41 4.01 -1.17 -4.32 117.16 111.14 1lxd n TYR 85 Ca 0.29 0.04 0.07 0.00 -0.16 0.00 0.00 57.90 58.14 1lxd n TYR 85 Cb 0.94 -0.44 0.02 0.00 -0.31 0.00 0.00 39.34 39.56 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 2.27 0.68 -2.34 -0.72 0.00 -0.08 -3.48 119.26 115.59 1lxd h ALA 86 Ca 0.00 -0.28 -0.51 0.00 0.00 0.00 0.00 54.91 54.11 1lxd h ALA 86 Cb 0.86 0.05 0.09 0.00 0.00 0.00 0.00 17.79 18.80 1lxd h ALA 86 CO 0.00 0.33 0.37 0.00 0.00 0.00 0.00 179.25 179.95 1lxd s MET 87 N -3.15 2.94 -0.95 0.00 0.23 0.25 -4.88 119.30 113.74 1lxd s MET 87 Ca 0.01 0.93 -0.23 0.00 -1.03 0.00 0.00 55.69 55.37 1lxd s MET 87 Cb 0.08 -1.99 0.06 0.00 -1.53 0.00 0.00 34.83 31.44 1lxd s MET 87 CO 0.76 -1.09 1.37 1.21 -2.03 0.00 0.00 175.02 175.24 1lxd s ASN 88 N -3.82 6.44 0.63 -1.18 3.84 -1.26 -4.86 114.94 114.73 1lxd s ASN 88 Ca 0.58 -1.31 0.37 0.00 0.21 0.00 0.00 52.86 52.71 1lxd s ASN 88 Cb -0.14 -2.55 2.10 0.00 -0.55 0.00 0.00 41.25 40.11 1lxd s ASN 88 CO 0.55 -1.52 2.28 0.77 -2.79 0.00 0.00 177.10 176.39 1lxd h SER 89 N 9.74 0.00 0.28 -4.21 4.64 -1.94 -1.80 113.55 120.26 1lxd h SER 89 Ca 0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1lxd h SER 89 Cb 1.02 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.11 1lxd h SER 89 CO 1.36 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 177.32 1lxd n ALA 90 N -2.18 2.19 -2.51 5.18 0.00 -1.26 -4.93 120.51 116.99 1lxd n ALA 90 Ca -0.02 -0.11 -0.27 0.00 0.00 0.00 0.00 53.44 53.03 1lxd n ALA 90 Cb 0.12 -1.36 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 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 -2.39 3.77 -0.31 0.00 0.00 -0.68 -5.09 121.76 117.06 1lxd s ALA 91 Ca 0.25 -1.67 -0.43 0.00 0.00 0.00 0.00 51.96 50.10 1lxd s ALA 91 Cb 0.15 -0.29 -0.20 0.00 0.00 0.00 0.00 23.12 22.78 1lxd s ALA 91 CO 0.31 -0.18 1.37 0.09 0.00 0.00 0.00 175.76 177.35 1lxd n ASN 92 N -1.30 0.74 -3.39 0.00 3.02 -1.26 -4.87 115.26 108.20 1lxd n ASN 92 Ca -0.05 1.15 -0.40 0.00 -0.03 0.00 0.00 54.58 55.26 1lxd n ASN 92 Cb 0.65 -0.87 -0.02 0.00 -0.61 0.00 0.00 39.78 38.93 1lxd n ASN 92 CO 0.00 0.00 0.00 -1.22 -2.62 0.00 0.00 177.26 173.42 1lxd n TYR 93 N 3.01 2.52 -4.10 3.10 4.02 -1.26 -4.70 117.16 119.76 1lxd n TYR 93 Ca 0.26 -3.00 -0.32 0.00 -0.01 0.00 0.00 57.90 54.83 1lxd n TYR 93 Cb -0.01 -2.27 -0.16 0.00 -0.02 0.00 0.00 39.34 36.89 1lxd n TYR 93 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1lxd s ASP 94 N 1.57 3.22 -0.02 7.72 1.01 -1.26 -2.20 116.67 126.70 1lxd s ASP 94 Ca 0.63 -0.71 0.08 0.00 0.71 0.00 0.00 52.55 53.26 1lxd s ASP 94 Cb 0.18 -1.45 -0.02 0.00 1.01 0.00 0.00 42.92 42.64 1lxd s ASP 94 CO -0.07 -0.03 -0.25 -0.36 0.21 0.00 0.00 175.17 174.67 1lxd s PHE 95 N 1.30 2.25 0.01 4.23 0.40 -0.29 -0.39 117.98 125.48 1lxd s PHE 95 Ca 0.03 -0.44 0.02 0.00 -0.60 0.00 0.00 56.93 55.95 1lxd s PHE 95 Cb -0.14 -1.45 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 1lxd s PHE 95 CO -0.12 -0.05 0.00 0.96 0.70 0.00 0.00 175.22 176.72 1lxd s ILE 96 N -0.57 4.15 -0.25 0.64 -4.36 0.11 -0.37 121.20 120.55 1lxd s ILE 96 Ca 0.09 -0.64 -0.17 0.00 -0.26 0.00 0.00 60.65 59.67 1lxd s ILE 96 Cb -0.10 -2.86 -0.03 0.00 1.25 0.00 0.00 42.46 40.72 1lxd s ILE 96 CO -0.01 0.35 0.47 -0.22 0.24 0.00 0.00 174.94 175.77 1lxd s LEU 97 N -1.64 4.07 -0.03 0.37 2.96 0.65 -4.42 118.68 120.64 1lxd s LEU 97 Ca 0.20 0.48 0.07 0.00 -0.22 0.00 0.00 54.13 54.67 1lxd s LEU 97 Cb -0.12 -2.59 -0.02 0.00 0.50 0.00 0.00 46.19 43.97 1lxd s LEU 97 CO 0.11 -0.22 -0.25 -0.75 -1.32 0.00 0.00 176.35 173.92 1lxd s LYS 98 N 2.05 2.12 1.00 1.98 2.20 -0.00 -2.52 119.74 126.57 1lxd s LYS 98 Ca 0.20 -0.89 -0.13 0.00 -0.36 0.00 0.00 55.97 54.79 1lxd s LYS 98 Cb -0.16 -1.99 0.12 0.00 -1.51 0.00 0.00 37.83 34.29 1lxd s LYS 98 CO 0.09 0.50 0.65 1.63 -0.36 0.00 0.00 175.35 177.86 1lxd n LYS 99 N 2.57 -0.87 -0.82 4.03 4.76 -1.26 0.64 118.16 127.22 1lxd n LYS 99 Ca -0.16 -0.21 0.00 0.00 -2.87 0.00 0.00 58.31 55.07 1lxd n LYS 99 Cb 0.51 -2.03 0.00 0.00 -1.84 0.00 0.00 35.03 31.67 1lxd n LYS 99 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57