#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lfd s ASP 15 N 0.00 7.00 0.17 1.61 1.01 -1.26 -4.99 116.67 120.21 1lfd s ASP 15 Ca 0.00 2.42 -0.12 0.00 0.71 0.00 0.00 52.55 55.56 1lfd s ASP 15 Cb 0.00 -2.63 0.01 0.00 1.01 0.00 0.00 42.92 41.31 1lfd s ASP 15 CO 0.00 -0.40 0.38 0.00 0.21 0.00 0.00 175.17 175.36 1lfd s ILE 18 N -0.03 4.95 0.20 0.00 1.01 -1.26 -1.48 121.20 124.58 1lfd s ILE 18 Ca -0.02 1.69 0.10 0.00 0.00 0.00 0.00 60.65 62.42 1lfd s ILE 18 Cb -0.03 -4.15 -0.04 0.00 0.01 0.00 0.00 42.46 38.24 1lfd s ILE 18 CO 0.02 0.16 -0.21 0.27 0.00 0.00 0.00 174.94 175.18 1lfd s ILE 19 N 1.23 2.19 -0.24 2.92 -4.36 -0.58 -4.93 121.20 117.43 1lfd s ILE 19 Ca 0.42 -2.06 -0.08 0.00 -0.26 0.00 0.00 60.65 58.67 1lfd s ILE 19 Cb -0.18 -2.06 -0.04 0.00 1.25 0.00 0.00 42.46 41.43 1lfd s ILE 19 CO 0.20 -0.24 0.09 -0.13 0.24 0.00 0.00 174.94 175.09 1lfd s ARG 20 N -2.88 3.78 -0.12 0.37 3.00 0.50 -1.58 118.95 122.02 1lfd s ARG 20 Ca 0.21 -0.42 0.01 0.00 0.00 0.00 0.00 55.73 55.53 1lfd s ARG 20 Cb -0.07 -3.36 -0.01 0.00 0.00 0.00 0.00 34.95 31.51 1lfd s ARG 20 CO 0.10 -0.08 -0.15 0.54 0.00 0.00 0.00 175.30 175.71 1lfd s VAL 21 N 1.35 2.94 0.11 3.52 0.11 -0.47 0.52 120.40 128.47 1lfd s VAL 21 Ca 0.05 -0.71 0.09 0.00 -2.93 0.00 0.00 61.98 58.48 1lfd s VAL 21 Cb -0.15 -2.21 -0.04 0.00 -1.53 0.00 0.00 36.38 32.46 1lfd s VAL 21 CO 0.04 0.54 -0.21 -0.55 -3.33 0.00 0.00 175.10 171.59 1lfd s SER 22 N 0.21 2.63 0.31 3.54 0.15 -0.15 -1.24 113.70 119.14 1lfd s SER 22 Ca -0.09 -0.71 -0.05 0.00 0.70 0.00 0.00 55.95 55.81 1lfd s SER 22 Cb -0.15 -0.15 -0.05 0.00 -1.71 0.00 0.00 66.02 63.96 1lfd s SER 22 CO 0.05 0.06 0.57 -0.76 1.20 0.00 0.00 173.24 174.36 1lfd s LEU 23 N -1.98 4.03 0.00 3.45 1.43 -1.26 -0.66 118.68 123.68 1lfd s LEU 23 Ca 0.08 0.71 0.19 0.00 -1.03 0.00 0.00 54.13 54.08 1lfd s LEU 23 Cb -0.10 -3.54 1.15 0.00 0.03 0.00 0.00 46.19 43.73 1lfd s LEU 23 CO 0.05 -0.23 1.68 -0.67 0.23 0.00 0.00 176.35 177.41 1lfd n ASP 24 N -1.08 0.00 -4.89 2.29 2.03 -1.25 -4.80 116.55 108.84 1lfd n ASP 24 Ca -0.02 -1.22 -0.30 0.00 0.52 0.00 0.00 54.79 53.78 1lfd n ASP 24 Cb 0.54 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.90 1lfd n ASP 24 CO 0.00 0.00 0.00 -0.69 -1.92 0.00 0.00 177.20 174.59 1lfd s VAL 25 N -2.00 5.02 -0.57 5.18 1.01 -1.26 -5.06 120.40 122.71 1lfd s VAL 25 Ca 0.29 0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.30 1lfd s VAL 25 Cb 0.13 -3.68 0.14 0.00 0.00 0.00 0.00 36.38 32.97 1lfd s VAL 25 CO 0.22 -0.20 0.51 -0.62 0.00 0.00 0.00 175.10 175.02 1lfd s ASP 26 N -2.82 6.17 -0.03 3.32 -1.08 -1.26 -4.85 116.67 116.12 1lfd s ASP 26 Ca 0.45 -1.96 0.04 0.00 -0.52 0.00 0.00 52.55 50.56 1lfd s ASP 26 Cb -0.11 -2.17 0.07 0.00 -1.46 0.00 0.00 42.92 39.25 1lfd s ASP 26 CO 0.26 -0.78 0.99 -0.46 0.52 0.00 0.00 175.17 175.70 1lfd n ASN 27 N 4.98 0.60 0.00 -0.34 6.94 -1.26 -5.00 115.26 121.18 1lfd n ASN 27 Ca -0.09 -2.16 0.00 0.00 -0.02 0.00 0.00 54.58 52.32 1lfd n ASN 27 Cb 0.41 -0.23 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1lfd n ASN 27 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1lfd n GLY 28 N -0.34 2.46 3.72 4.83 0.00 -1.26 -5.03 105.19 109.55 1lfd n GLY 28 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1lfd n GLY 28 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1lfd s ASN 29 N -1.79 6.68 -0.07 1.61 2.47 -1.26 -4.97 114.94 117.61 1lfd s ASN 29 Ca 0.00 0.81 -0.22 0.00 0.42 0.00 0.00 52.86 53.87 1lfd s ASN 29 Cb 0.00 -2.29 -0.30 0.00 -1.45 0.00 0.00 41.25 37.21 1lfd s ASN 29 CO 0.00 -0.02 0.82 0.24 -3.72 0.00 0.00 177.10 174.42 1lfd h MET 30 N 6.79 0.24 -2.09 0.43 2.86 -1.96 -3.46 114.93 117.74 1lfd h MET 30 Ca -0.40 -0.41 0.23 0.00 -2.06 0.00 0.00 59.70 57.06 1lfd h MET 30 Cb 1.18 0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.91 1lfd h MET 30 CO 0.75 1.20 0.64 1.52 1.06 0.00 0.00 176.91 182.08 1lfd s TYR 31 N -2.40 -0.05 -0.08 -0.22 -0.85 -1.26 -4.60 117.35 107.89 1lfd s TYR 31 Ca -0.15 -0.20 -0.03 0.00 -0.52 0.00 0.00 57.07 56.16 1lfd s TYR 31 Cb 0.01 0.62 0.04 0.00 0.38 0.00 0.00 41.96 43.01 1lfd s TYR 31 CO 0.80 -0.64 0.17 0.15 -1.52 0.00 0.00 175.55 174.51 1lfd s LYS 32 N -2.71 0.11 0.19 -3.49 1.02 -0.38 -4.95 119.74 109.54 1lfd s LYS 32 Ca 0.16 0.43 -0.24 0.00 0.02 0.00 0.00 55.97 56.34 1lfd s LYS 32 Cb 0.00 -0.17 -0.08 0.00 -0.52 0.00 0.00 37.83 37.06 1lfd s LYS 32 CO 0.01 -0.18 0.77 -1.12 -0.92 0.00 0.00 175.35 173.91 1lfd s SER 33 N 1.30 7.32 0.21 2.83 0.01 -1.26 -1.37 113.70 122.73 1lfd s SER 33 Ca -0.08 1.61 0.02 0.00 1.31 0.00 0.00 55.95 58.80 1lfd s SER 33 Cb -0.11 -2.49 -0.05 0.00 0.21 0.00 0.00 66.02 63.58 1lfd s SER 33 CO -0.07 0.16 0.03 0.27 0.41 0.00 0.00 173.24 174.05 1lfd s ILE 34 N -1.25 0.69 -0.18 1.44 -4.36 -0.62 -4.98 121.20 111.95 1lfd s ILE 34 Ca 0.38 -1.99 -0.05 0.00 -0.26 0.00 0.00 60.65 58.72 1lfd s ILE 34 Cb -0.22 -2.32 -0.03 0.00 1.25 0.00 0.00 42.46 41.15 1lfd s ILE 34 CO 0.25 -0.30 0.00 -0.22 0.24 0.00 0.00 174.94 174.91 1lfd s LEU 35 N -3.24 3.42 -0.17 0.37 2.96 -1.26 -1.53 118.68 119.24 1lfd s LEU 35 Ca 0.29 -0.09 -0.02 0.00 -0.22 0.00 0.00 54.13 54.09 1lfd s LEU 35 Cb 0.07 -1.85 -0.01 0.00 0.50 0.00 0.00 46.19 44.89 1lfd s LEU 35 CO 0.08 0.14 -0.09 -0.69 -1.32 0.00 0.00 176.35 174.46 1lfd s VAL 36 N 0.56 3.19 0.51 1.68 1.01 -0.55 -4.96 120.40 121.83 1lfd s VAL 36 Ca -0.00 -0.59 -0.00 0.00 0.00 0.00 0.00 61.98 61.39 1lfd s VAL 36 Cb -0.14 -2.39 0.01 0.00 0.00 0.00 0.00 36.38 33.87 1lfd s VAL 36 CO 0.02 0.49 0.74 0.42 0.00 0.00 0.00 175.10 176.77 1lfd s THR 37 N 0.82 3.39 0.47 3.92 -4.23 -1.26 -0.95 115.64 117.80 1lfd s THR 37 Ca -0.03 -0.52 0.17 0.00 -1.18 0.00 0.00 61.69 60.13 1lfd s THR 37 Cb -0.15 -3.27 0.23 0.00 1.34 0.00 0.00 72.50 70.64 1lfd s THR 37 CO 0.01 -0.20 2.06 0.77 -0.54 0.00 0.00 174.62 176.71 1lfd h SER 38 N 0.19 0.00 -0.04 3.99 4.64 -1.54 -2.32 113.55 118.47 1lfd h SER 38 Ca -0.44 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.88 1lfd h SER 38 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 1lfd h SER 38 CO 0.56 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 1lfd n GLN 39 N -4.29 1.67 -2.38 4.77 6.02 -1.26 -4.70 117.38 117.21 1lfd n GLN 39 Ca -0.03 -0.98 -0.42 0.00 -0.01 0.00 0.00 57.00 55.57 1lfd n GLN 39 Cb 0.19 -1.47 -0.03 0.00 1.02 0.00 0.00 30.24 29.95 1lfd n GLN 39 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1lfd s ASP 40 N -1.93 7.07 0.28 1.08 1.01 -0.88 -4.99 116.67 118.31 1lfd s ASP 40 Ca 0.37 2.15 0.07 0.00 0.71 0.00 0.00 52.55 55.85 1lfd s ASP 40 Cb 0.20 -2.59 -0.03 0.00 1.01 0.00 0.00 42.92 41.51 1lfd s ASP 40 CO 0.32 -0.43 0.29 -0.54 0.21 0.00 0.00 175.17 175.02 1lfd s LYS 41 N 0.37 3.03 0.20 8.23 1.02 -1.26 -1.26 119.74 130.07 1lfd s LYS 41 Ca 0.56 -1.03 -0.17 0.00 0.02 0.00 0.00 55.97 55.35 1lfd s LYS 41 Cb -0.32 -2.65 0.19 0.00 -0.52 0.00 0.00 37.83 34.54 1lfd s LYS 41 CO 0.33 0.31 1.60 0.00 -0.92 0.00 0.00 175.35 176.66 1lfd h ALA 42 N 1.30 0.17 -0.04 5.17 0.00 -1.14 -0.63 119.26 124.10 1lfd h ALA 42 Ca -0.48 0.21 0.01 0.00 0.00 0.00 0.00 54.91 54.65 1lfd h ALA 42 Cb 1.24 0.69 -0.00 0.00 0.00 0.00 0.00 17.79 19.72 1lfd h ALA 42 CO 0.59 -0.57 0.06 -1.00 0.00 0.00 0.00 179.25 178.34 1lfd h PRO 43 N -0.09 0.00 0.15 0.00 0.13 -1.88 0.72 132.00 131.03 1lfd h PRO 43 Ca 0.28 0.00 -0.21 0.00 -0.87 0.00 0.00 66.00 65.21 1lfd h PRO 43 Cb 0.54 0.00 0.02 0.00 0.13 0.00 0.00 31.00 31.69 1lfd h PRO 43 CO -0.71 0.00 -0.89 1.15 -0.23 0.00 0.00 178.00 177.32 1lfd h THR 44 N 0.00 1.47 -0.20 1.56 2.02 -1.52 -2.70 112.91 113.54 1lfd h THR 44 Ca 0.02 -2.52 -0.11 0.00 0.77 0.00 0.00 66.41 64.57 1lfd h THR 44 Cb 0.13 3.13 -0.01 0.00 -1.74 0.00 0.00 68.15 69.66 1lfd h THR 44 CO -0.00 0.72 -0.34 0.58 0.37 0.00 0.00 175.52 176.85 1lfd h VAL 45 N -0.27 1.29 -0.39 3.16 2.07 -0.96 -2.41 116.25 118.74 1lfd h VAL 45 Ca -0.15 -1.42 -0.03 0.00 0.82 0.00 0.00 66.70 65.91 1lfd h VAL 45 Cb 1.69 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.96 1lfd h VAL 45 CO 0.17 0.44 0.12 0.40 0.02 0.00 0.00 177.57 178.72 1lfd h ILE 46 N 0.36 1.22 -0.92 4.57 2.04 -0.95 -0.48 117.51 123.34 1lfd h ILE 46 Ca 0.04 -0.71 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1lfd h ILE 46 Cb 0.77 0.94 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 1lfd h ILE 46 CO 0.06 0.25 0.53 -0.09 0.00 0.00 0.00 178.15 178.90 1lfd h ARG 47 N 0.49 1.26 -0.54 2.37 9.65 -1.29 0.23 114.38 126.55 1lfd h ARG 47 Ca 0.13 -0.13 -0.04 0.00 -1.10 0.00 0.00 59.98 58.84 1lfd h ARG 47 Cb 0.26 -0.26 -0.02 0.00 -1.39 0.00 0.00 29.97 28.56 1lfd h ARG 47 CO -0.00 0.90 0.17 0.87 2.80 0.00 0.00 179.97 184.71 1lfd h LYS 48 N 1.27 0.83 -0.45 0.20 1.57 -1.16 -1.27 116.57 117.57 1lfd h LYS 48 Ca 0.33 -0.18 -0.06 0.00 -1.87 0.00 0.00 60.65 58.87 1lfd h LYS 48 Cb -0.02 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 32.15 1lfd h LYS 48 CO -0.06 0.76 0.03 0.00 -0.57 0.00 0.00 179.45 179.61 1lfd h ALA 49 N 1.03 0.60 0.18 3.86 0.00 -0.45 -1.71 119.26 122.78 1lfd h ALA 49 Ca 0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1lfd h ALA 49 Cb 0.27 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 17.89 1lfd h ALA 49 CO -0.01 0.37 -0.09 0.52 0.00 0.00 0.00 179.25 180.04 1lfd h MET 50 N 0.62 -0.23 -0.70 0.00 2.86 -0.40 -0.55 114.93 116.53 1lfd h MET 50 Ca 0.13 0.02 0.01 0.00 -2.06 0.00 0.00 59.70 57.80 1lfd h MET 50 Cb 0.45 0.05 -0.04 0.00 0.06 0.00 0.00 31.60 32.13 1lfd h MET 50 CO 0.02 -0.05 0.46 -0.44 1.06 0.00 0.00 176.91 177.96 1lfd h ASP 51 N -0.37 0.79 -0.14 1.22 3.32 -1.26 0.23 116.42 120.21 1lfd h ASP 51 Ca -0.02 -0.02 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1lfd h ASP 51 Cb 0.29 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.63 1lfd h ASP 51 CO 0.04 0.57 -0.15 0.50 -1.72 0.00 0.00 179.24 178.48 1lfd h LYS 52 N 0.93 0.52 -0.65 3.56 1.63 -1.04 -2.58 116.57 118.94 1lfd h LYS 52 Ca 0.26 -0.16 0.00 0.00 -0.85 0.00 0.00 60.65 59.90 1lfd h LYS 52 Cb -0.09 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 31.49 1lfd h LYS 52 CO -0.06 0.65 0.00 0.72 -3.45 0.00 0.00 179.45 177.31 1lfd n HIS 53 N -4.18 1.46 -3.69 1.91 8.25 -0.24 -4.95 115.22 113.79 1lfd n HIS 53 Ca 0.00 -0.58 -0.24 0.00 -0.26 0.00 0.00 57.72 56.65 1lfd n HIS 53 Cb 0.34 -0.25 0.06 0.00 1.12 0.00 0.00 29.99 31.26 1lfd n HIS 53 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 1lfd n ASN 54 N 1.05 -4.15 -1.69 0.41 4.13 -0.28 -4.88 115.26 109.84 1lfd n ASN 54 Ca 0.25 -0.68 -0.17 0.00 1.68 0.00 0.00 54.58 55.66 1lfd n ASN 54 Cb 0.87 -4.52 0.13 0.00 -1.54 0.00 0.00 39.78 34.73 1lfd n ASN 54 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1lfd n LEU 55 N -4.62 5.23 -0.35 3.41 4.77 0.65 -4.80 117.00 121.29 1lfd n LEU 55 Ca -0.09 -4.12 0.07 0.00 -0.03 0.00 0.00 56.01 51.83 1lfd n LEU 55 Cb 0.59 -0.65 0.23 0.00 -2.33 0.00 0.00 43.42 41.26 1lfd n LEU 55 CO 0.68 1.51 1.21 0.44 -1.33 0.00 0.00 177.39 179.91 1lfd h ASP 56 N 1.50 0.87 0.79 -1.43 5.19 -1.88 -2.35 116.42 119.10 1lfd h ASP 56 Ca 0.37 0.05 -0.03 0.00 -0.62 0.00 0.00 57.03 56.80 1lfd h ASP 56 Cb 1.55 -0.12 -0.00 0.00 0.18 0.00 0.00 39.33 40.94 1lfd h ASP 56 CO 0.78 0.46 -0.13 1.05 -3.12 0.00 0.00 179.24 178.28 1lfd h GLU 57 N 0.94 0.00 -7.47 3.56 4.11 -1.96 -3.45 114.58 110.31 1lfd h GLU 57 Ca 0.48 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.43 1lfd h GLU 57 Cb 0.48 0.00 0.11 0.00 0.50 0.00 0.00 28.75 29.84 1lfd h GLU 57 CO -0.27 0.13 0.35 -0.51 0.07 0.00 0.00 179.01 178.78 1lfd s ASP 58 N -5.99 4.42 -0.10 3.06 1.11 -0.88 -5.08 116.67 113.21 1lfd s ASP 58 Ca -0.00 1.12 -0.03 0.00 0.18 0.00 0.00 52.55 53.81 1lfd s ASP 58 Cb 0.11 -1.79 -0.04 0.00 1.07 0.00 0.00 42.92 42.27 1lfd s ASP 58 CO 0.59 -1.99 0.03 -1.61 1.18 0.00 0.00 175.17 173.37 1lfd s GLU 59 N -5.28 3.19 0.53 8.23 0.41 -1.26 -5.01 118.70 119.51 1lfd s GLU 59 Ca 0.61 -0.35 0.26 0.00 -0.41 0.00 0.00 54.97 55.08 1lfd s GLU 59 Cb -0.13 -2.92 1.40 0.00 -1.78 0.00 0.00 34.13 30.70 1lfd s GLU 59 CO 0.53 0.66 1.99 -1.35 -0.49 0.00 0.00 175.26 176.60 1lfd h PRO 60 N 5.32 0.00 0.00 0.39 0.11 -1.95 -1.12 132.00 134.76 1lfd h PRO 60 Ca -0.50 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 1lfd h PRO 60 Cb 1.20 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.31 1lfd h PRO 60 CO 0.57 0.00 -0.07 0.93 -0.21 0.00 0.00 178.00 179.22 1lfd h GLU 61 N 0.00 0.00 -0.20 1.05 3.07 -1.96 -2.29 114.58 114.24 1lfd h GLU 61 Ca 0.26 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.12 1lfd h GLU 61 Cb 1.05 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.96 1lfd h GLU 61 CO -0.00 0.07 0.00 -0.25 -1.40 0.00 0.00 179.01 177.42 1lfd n ASP 62 N -3.38 1.36 -4.26 1.42 8.00 -0.42 -4.88 116.55 114.39 1lfd n ASP 62 Ca -0.01 -1.83 -0.17 0.00 0.71 0.00 0.00 54.79 53.49 1lfd n ASP 62 Cb 0.22 -0.13 -0.10 0.00 -0.02 0.00 0.00 41.12 41.08 1lfd n ASP 62 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1lfd s TYR 63 N -1.73 1.39 0.13 1.24 1.51 -0.86 -0.80 117.35 118.23 1lfd s TYR 63 Ca 0.24 -0.64 0.04 0.00 -1.01 0.00 0.00 57.07 55.71 1lfd s TYR 63 Cb 0.13 -0.70 -0.04 0.00 -0.11 0.00 0.00 41.96 41.23 1lfd s TYR 63 CO 0.18 0.16 -0.10 -1.83 -1.11 0.00 0.00 175.55 172.85 1lfd s GLU 64 N -3.25 1.00 -0.19 -0.62 -1.05 0.13 -4.82 118.70 109.90 1lfd s GLU 64 Ca 0.14 -1.38 -0.00 0.00 -0.15 0.00 0.00 54.97 53.58 1lfd s GLU 64 Cb -0.01 -0.58 0.01 0.00 -0.44 0.00 0.00 34.13 33.11 1lfd s GLU 64 CO 0.03 0.07 -0.15 -1.17 0.95 0.00 0.00 175.26 174.99 1lfd s LEU 65 N -2.99 2.38 -0.17 1.83 2.96 -1.26 -1.68 118.68 119.73 1lfd s LEU 65 Ca 0.14 -0.56 -0.00 0.00 -0.22 0.00 0.00 54.13 53.49 1lfd s LEU 65 Cb 0.02 -1.56 0.00 0.00 0.50 0.00 0.00 46.19 45.15 1lfd s LEU 65 CO -0.00 0.01 -0.15 -0.76 -1.32 0.00 0.00 176.35 174.13 1lfd s LEU 66 N 1.27 2.46 -0.03 -0.68 2.01 -0.38 -0.46 118.68 122.87 1lfd s LEU 66 Ca 0.04 -0.50 -0.25 0.00 0.01 0.00 0.00 54.13 53.43 1lfd s LEU 66 Cb -0.14 -1.57 -0.04 0.00 0.01 0.00 0.00 46.19 44.45 1lfd s LEU 66 CO -0.08 0.05 0.76 -1.58 1.01 0.00 0.00 176.35 176.50 1lfd s GLN 67 N 1.05 4.47 -0.71 1.70 0.74 0.15 0.49 119.66 127.54 1lfd s GLN 67 Ca -0.01 1.01 -0.26 0.00 0.05 0.00 0.00 55.36 56.15 1lfd s GLN 67 Cb -0.15 -3.42 0.04 0.00 1.10 0.00 0.00 33.01 30.58 1lfd s GLN 67 CO -0.04 0.11 1.17 0.42 -0.55 0.00 0.00 175.29 176.41 1lfd s ILE 68 N 0.58 3.93 -0.01 -2.34 1.01 0.17 -0.25 121.20 124.29 1lfd s ILE 68 Ca 0.40 0.17 -0.19 0.00 0.00 0.00 0.00 60.65 61.03 1lfd s ILE 68 Cb -0.19 -4.84 -0.30 0.00 0.01 0.00 0.00 42.46 37.15 1lfd s ILE 68 CO 0.21 -1.71 1.00 0.40 0.00 0.00 0.00 174.94 174.84 1lfd h ILE 69 N 6.01 1.42 -3.75 2.92 1.08 -1.53 -3.41 117.51 120.25 1lfd h ILE 69 Ca -0.28 -2.43 -0.22 0.00 -0.39 0.00 0.00 64.86 61.54 1lfd h ILE 69 Cb 1.06 2.94 -0.05 0.00 -3.07 0.00 0.00 36.82 37.70 1lfd h ILE 69 CO 1.24 0.71 -0.04 -1.54 -0.69 0.00 0.00 178.15 177.83 1lfd n SER 70 N -4.03 -1.59 0.30 1.72 3.41 -0.68 -4.74 113.62 108.00 1lfd n SER 70 Ca -0.13 -2.81 0.18 0.00 -0.26 0.00 0.00 58.87 55.85 1lfd n SER 70 Cb 0.85 2.86 1.00 0.00 -0.26 0.00 0.00 64.21 68.66 1lfd n SER 70 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 1lfd h GLU 71 N 0.00 0.00 0.00 4.33 5.08 -2.03 -3.00 114.58 118.96 1lfd h GLU 71 Ca -0.29 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.07 1lfd h GLU 71 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1lfd h GLU 71 CO 0.38 0.00 -0.29 -0.40 -1.00 0.00 0.00 179.01 177.70 1lfd n ASP 72 N -3.52 0.77 -3.75 1.42 5.68 -1.26 -5.05 116.55 110.84 1lfd n ASP 72 Ca -0.02 -2.23 -0.14 0.00 -0.50 0.00 0.00 54.79 51.90 1lfd n ASP 72 Cb 0.14 -0.24 -0.14 0.00 -1.14 0.00 0.00 41.12 39.74 1lfd n ASP 72 CO 0.00 0.00 0.00 -2.28 -1.33 0.00 0.00 177.20 173.59 1lfd s HIS 73 N -0.88 -0.15 0.07 2.11 5.04 -1.13 -5.12 115.29 115.22 1lfd s HIS 73 Ca 0.09 0.46 0.06 0.00 -1.54 0.00 0.00 55.06 54.14 1lfd s HIS 73 Cb 0.08 -0.09 -0.03 0.00 0.04 0.00 0.00 32.58 32.58 1lfd s HIS 73 CO 0.01 -0.16 -0.16 0.15 -2.34 0.00 0.00 174.74 172.24 1lfd s LYS 74 N 1.14 0.94 -0.28 2.88 1.02 -1.26 -1.40 119.74 122.78 1lfd s LYS 74 Ca -0.09 -0.98 -0.06 0.00 0.02 0.00 0.00 55.97 54.87 1lfd s LYS 74 Cb -0.11 -1.03 0.01 0.00 -0.52 0.00 0.00 37.83 36.18 1lfd s LYS 74 CO -0.06 0.24 0.06 -1.17 -0.92 0.00 0.00 175.35 173.50 1lfd s LEU 75 N -1.66 3.67 -0.24 3.17 2.96 0.66 -4.90 118.68 122.35 1lfd s LEU 75 Ca 0.01 -0.66 -0.29 0.00 -0.22 0.00 0.00 54.13 52.97 1lfd s LEU 75 Cb -0.10 -1.85 0.01 0.00 0.50 0.00 0.00 46.19 44.75 1lfd s LEU 75 CO 0.03 -0.16 1.05 -0.75 -1.32 0.00 0.00 176.35 175.20 1lfd s LYS 76 N 1.49 4.23 -0.07 1.98 2.36 -1.26 0.30 119.74 128.76 1lfd s LYS 76 Ca 0.03 1.32 -0.30 0.00 -2.55 0.00 0.00 55.97 54.47 1lfd s LYS 76 Cb -0.17 -3.66 -0.03 0.00 -1.05 0.00 0.00 37.83 32.92 1lfd s LYS 76 CO 0.01 -0.68 1.23 0.42 1.55 0.00 0.00 175.35 177.89 1lfd s ILE 77 N 3.29 4.20 0.43 5.43 -1.09 0.39 -4.98 121.20 128.88 1lfd s ILE 77 Ca 0.44 1.52 -0.24 0.00 -2.23 0.00 0.00 60.65 60.15 1lfd s ILE 77 Cb -0.15 -3.98 -0.10 0.00 -1.58 0.00 0.00 42.46 36.65 1lfd s ILE 77 CO 0.08 -0.03 0.93 -2.65 -1.23 0.00 0.00 174.94 172.05 1lfd n PRO 78 N 5.49 1.19 -0.33 2.79 -0.02 -1.26 -4.56 135.00 138.31 1lfd n PRO 78 Ca 0.12 0.43 0.14 0.00 -2.02 0.00 0.00 63.50 62.16 1lfd n PRO 78 Cb 0.46 -1.97 0.28 0.00 -0.02 0.00 0.00 33.50 32.25 1lfd n PRO 78 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1lfd h GLU 79 N 1.34 0.04 0.00 -0.52 4.81 -1.99 -2.55 114.58 115.71 1lfd h GLU 79 Ca -0.44 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 1lfd h GLU 79 Cb 1.35 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.72 1lfd h GLU 79 CO 0.56 0.02 -0.02 0.09 -0.73 0.00 0.00 179.01 178.93 1lfd n ASN 80 N -5.45 2.03 -4.78 1.04 3.02 -1.26 -4.10 115.26 105.76 1lfd n ASN 80 Ca 0.22 -2.49 -0.31 0.00 -0.03 0.00 0.00 54.58 51.97 1lfd n ASN 80 Cb 0.73 -0.21 0.08 0.00 -0.61 0.00 0.00 39.78 39.77 1lfd n ASN 80 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1lfd s ALA 81 N -1.83 2.36 -0.27 5.41 0.00 -0.96 -4.60 121.76 121.87 1lfd s ALA 81 Ca 0.15 0.28 -0.28 0.00 0.00 0.00 0.00 51.96 52.12 1lfd s ALA 81 Cb 0.13 -3.26 0.01 0.00 0.00 0.00 0.00 23.12 20.00 1lfd s ALA 81 CO 0.01 -1.60 1.00 1.21 0.00 0.00 0.00 175.76 176.39 1lfd s ASN 82 N -3.32 6.96 0.22 0.00 3.84 -1.26 -0.69 114.94 120.69 1lfd s ASN 82 Ca 0.62 1.14 -0.07 0.00 0.21 0.00 0.00 52.86 54.75 1lfd s ASN 82 Cb -0.17 -2.52 0.35 0.00 -0.55 0.00 0.00 41.25 38.36 1lfd s ASN 82 CO 0.53 -0.73 1.75 0.58 -2.79 0.00 0.00 177.10 176.45 1lfd h VAL 83 N 5.57 0.75 -0.83 -5.21 2.07 -1.48 -0.09 116.25 117.04 1lfd h VAL 83 Ca -0.21 -0.16 0.11 0.00 0.82 0.00 0.00 66.70 67.27 1lfd h VAL 83 Cb 1.07 0.24 -0.08 0.00 -1.52 0.00 0.00 31.29 31.00 1lfd h VAL 83 CO 0.98 0.09 0.46 -0.26 0.02 0.00 0.00 177.57 178.85 1lfd h PHE 84 N 0.47 0.82 0.23 1.57 -1.00 -1.84 0.15 116.94 117.34 1lfd h PHE 84 Ca 0.35 0.03 -0.01 0.00 2.81 0.00 0.00 57.97 61.15 1lfd h PHE 84 Cb 0.45 -0.24 0.00 0.00 3.61 0.00 0.00 35.95 39.78 1lfd h PHE 84 CO -0.15 0.29 -0.11 1.88 -1.61 0.00 0.00 178.31 178.60 1lfd h TYR 85 N 0.73 -0.29 -0.29 -0.55 0.05 -1.68 -3.36 116.97 111.58 1lfd h TYR 85 Ca 0.42 -0.01 -0.01 0.00 0.05 0.00 0.00 58.73 59.18 1lfd h TYR 85 Cb 0.46 0.10 -0.01 0.00 1.01 0.00 0.00 36.73 38.28 1lfd h TYR 85 CO -0.07 0.09 0.14 0.00 -1.05 0.00 0.00 178.16 177.27 1lfd h ALA 86 N -0.33 0.38 -2.33 3.88 0.00 -0.86 -3.45 119.26 116.55 1lfd h ALA 86 Ca -0.03 -0.10 -0.52 0.00 0.00 0.00 0.00 54.91 54.26 1lfd h ALA 86 Cb 0.51 -0.12 0.19 0.00 0.00 0.00 0.00 17.79 18.38 1lfd h ALA 86 CO 0.05 -0.06 0.25 0.00 0.00 0.00 0.00 179.25 179.49 1lfd s MET 87 N -5.69 1.14 -0.39 0.00 0.23 0.50 -4.96 119.30 110.12 1lfd s MET 87 Ca -0.13 1.58 -0.20 0.00 -1.03 0.00 0.00 55.69 55.90 1lfd s MET 87 Cb 0.09 -1.74 0.01 0.00 -1.53 0.00 0.00 34.83 31.66 1lfd s MET 87 CO 0.72 -2.55 0.61 1.21 -2.03 0.00 0.00 175.02 172.99 1lfd s ASN 88 N -2.60 6.36 0.22 -1.18 2.47 -1.26 -4.94 114.94 113.99 1lfd s ASN 88 Ca 0.68 -0.12 -0.00 0.00 0.42 0.00 0.00 52.86 53.83 1lfd s ASN 88 Cb -0.24 -2.31 0.20 0.00 -1.45 0.00 0.00 41.25 37.45 1lfd s ASN 88 CO 0.57 -0.66 1.56 0.28 -3.72 0.00 0.00 177.10 175.12 1lfd h SER 89 N 8.66 0.52 1.29 -4.21 0.02 -1.93 -3.11 113.55 114.79 1lfd h SER 89 Ca -0.26 -0.26 -0.05 0.00 -0.84 0.00 0.00 61.79 60.38 1lfd h SER 89 Cb 1.11 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 63.49 1lfd h SER 89 CO 0.85 0.94 -0.24 0.00 -1.14 0.00 0.00 176.83 177.24 1lfd h ALA 90 N 1.08 0.92 -2.52 3.77 0.00 -2.02 -3.46 119.26 117.03 1lfd h ALA 90 Ca 0.02 -0.22 -0.48 0.00 0.00 0.00 0.00 54.91 54.23 1lfd h ALA 90 Cb 1.02 -0.04 0.09 0.00 0.00 0.00 0.00 17.79 18.86 1lfd h ALA 90 CO 0.09 0.30 0.38 0.00 0.00 0.00 0.00 179.25 180.02 1lfd s ALA 91 N -3.38 2.82 0.31 0.00 0.00 -1.18 -5.02 121.76 115.31 1lfd s ALA 91 Ca 0.03 -0.57 -0.29 0.00 0.00 0.00 0.00 51.96 51.13 1lfd s ALA 91 Cb 0.08 -2.93 -0.10 0.00 0.00 0.00 0.00 23.12 20.17 1lfd s ALA 91 CO 0.66 -1.41 1.33 0.54 0.00 0.00 0.00 175.76 176.89 1lfd s ASN 92 N -4.48 6.76 -0.86 0.00 2.20 -1.26 -4.90 114.94 112.39 1lfd s ASN 92 Ca 0.60 2.67 -0.07 0.00 -0.94 0.00 0.00 52.86 55.12 1lfd s ASN 92 Cb -0.11 -2.64 -0.12 0.00 -2.00 0.00 0.00 41.25 36.38 1lfd s ASN 92 CO 0.49 -0.57 3.14 -1.22 -2.94 0.00 0.00 177.10 176.00 1lfd n TYR 93 N 1.17 1.44 -4.03 1.54 4.01 -1.26 -4.66 117.16 115.37 1lfd n TYR 93 Ca 0.01 -2.35 -0.34 0.00 -0.16 0.00 0.00 57.90 55.07 1lfd n TYR 93 Cb 0.42 -1.97 -0.15 0.00 -0.31 0.00 0.00 39.34 37.32 1lfd n TYR 93 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1lfd s ASP 94 N 1.72 3.64 0.28 7.72 1.01 -1.26 -0.37 116.67 129.41 1lfd s ASP 94 Ca 0.66 -0.54 0.12 0.00 0.71 0.00 0.00 52.55 53.50 1lfd s ASP 94 Cb 0.25 -1.59 -0.05 0.00 1.01 0.00 0.00 42.92 42.54 1lfd s ASP 94 CO -0.06 -0.01 -0.19 -0.36 0.21 0.00 0.00 175.17 174.77 1lfd s PHE 95 N 1.37 2.32 -0.10 4.23 0.40 0.18 0.43 117.98 126.81 1lfd s PHE 95 Ca 0.05 -0.32 0.04 0.00 -0.60 0.00 0.00 56.93 56.10 1lfd s PHE 95 Cb -0.14 -1.01 0.00 0.00 0.51 0.00 0.00 43.02 42.39 1lfd s PHE 95 CO -0.09 0.71 -0.23 0.42 0.70 0.00 0.00 175.22 176.73 1lfd s ILE 96 N -2.49 2.03 -0.69 0.64 1.01 0.18 -0.98 121.20 120.91 1lfd s ILE 96 Ca 0.30 -1.00 -0.18 0.00 0.00 0.00 0.00 60.65 59.77 1lfd s ILE 96 Cb -0.05 -1.76 0.13 0.00 0.01 0.00 0.00 42.46 40.78 1lfd s ILE 96 CO 0.15 0.55 0.78 -0.22 0.00 0.00 0.00 174.94 176.21 1lfd s LEU 97 N 0.41 5.59 -0.07 2.97 2.96 0.16 -1.25 118.68 129.45 1lfd s LEU 97 Ca -0.17 -1.75 -0.03 0.00 -0.22 0.00 0.00 54.13 51.96 1lfd s LEU 97 Cb -0.18 -2.30 -0.04 0.00 0.50 0.00 0.00 46.19 44.18 1lfd s LEU 97 CO 0.07 -1.01 0.07 -0.75 -1.32 0.00 0.00 176.35 173.41 1lfd s LYS 98 N 2.24 3.14 0.31 1.98 2.20 -0.68 -3.92 119.74 125.01 1lfd s LYS 98 Ca 0.16 -0.35 -0.23 0.00 -0.36 0.00 0.00 55.97 55.19 1lfd s LYS 98 Cb -0.19 -2.93 -0.10 0.00 -1.51 0.00 0.00 37.83 33.11 1lfd s LYS 98 CO 0.01 0.71 0.87 0.21 -0.36 0.00 0.00 175.35 176.79 1lfd s LYS 99 N -1.20 4.41 0.00 4.03 2.20 -1.26 0.20 119.74 128.12 1lfd s LYS 99 Ca 0.17 1.13 0.00 0.00 -0.36 0.00 0.00 55.97 56.91 1lfd s LYS 99 Cb -0.12 -2.71 0.00 0.00 -1.51 0.00 0.00 37.83 33.49 1lfd s LYS 99 CO 0.06 0.26 0.22 2.89 -0.36 0.00 0.00 175.35 178.43