#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3fom s ILE 1 N 0.00 4.25 0.10 1.12 -1.09 -1.26 -5.03 121.20 119.29 3fom s ILE 1 Ca 0.00 1.33 -0.12 0.00 -2.23 0.00 0.00 60.65 59.63 3fom s ILE 1 Cb 0.00 -4.52 -0.06 0.00 -1.58 0.00 0.00 42.46 36.30 3fom s ILE 1 CO 0.00 -0.85 0.47 -1.10 -1.23 0.00 0.00 174.94 172.23 3fom s GLN 2 N 4.29 3.88 0.05 2.79 -0.21 -1.26 -4.77 119.66 124.42 3fom s GLN 2 Ca 0.49 0.34 0.08 0.00 0.02 0.00 0.00 55.36 56.29 3fom s GLN 2 Cb -0.09 -2.99 -0.03 0.00 1.00 0.00 0.00 33.01 30.90 3fom s GLN 2 CO 0.28 0.54 -0.22 0.15 -2.12 0.00 0.00 175.29 173.91 3fom s LYS 3 N -1.85 1.50 -0.15 2.91 1.02 -0.23 -4.94 119.74 118.00 3fom s LYS 3 Ca 0.34 -1.00 -0.23 0.00 0.02 0.00 0.00 55.97 55.11 3fom s LYS 3 Cb -0.15 -1.64 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 3fom s LYS 3 CO 0.18 0.42 0.70 0.99 -0.92 0.00 0.00 175.35 176.72 3fom s THR 4 N -0.81 4.99 0.56 2.17 2.01 -1.26 -2.47 115.64 120.83 3fom s THR 4 Ca 0.09 1.38 -0.21 0.00 0.31 0.00 0.00 61.69 63.26 3fom s THR 4 Cb -0.09 -4.02 -0.05 0.00 0.01 0.00 0.00 72.50 68.35 3fom s THR 4 CO 0.02 0.14 1.30 -0.81 -0.69 0.00 0.00 174.62 174.58 3fom n PRO 5 N 4.66 1.53 -4.30 4.92 -0.04 -1.26 -4.56 135.00 135.94 3fom n PRO 5 Ca 0.00 0.57 -0.34 0.00 -0.04 0.00 0.00 63.50 63.69 3fom n PRO 5 Cb 0.50 -2.51 -0.09 0.00 -0.04 0.00 0.00 33.50 31.36 3fom n PRO 5 CO 0.00 0.00 0.00 -0.65 -0.04 0.00 0.00 175.50 174.81 3fom s GLN 6 N -2.90 2.93 -0.04 0.54 -1.52 0.10 -4.89 119.66 113.89 3fom s GLN 6 Ca 0.73 -0.48 0.03 0.00 -1.95 0.00 0.00 55.36 53.69 3fom s GLN 6 Cb -0.42 -2.77 0.00 0.00 -0.22 0.00 0.00 33.01 29.61 3fom s GLN 6 CO 0.48 0.67 -0.11 0.42 -0.25 0.00 0.00 175.29 176.50 3fom s ILE 7 N -0.99 0.98 -0.04 1.08 1.01 -1.26 -0.39 121.20 121.59 3fom s ILE 7 Ca 0.17 -0.45 0.03 0.00 0.00 0.00 0.00 60.65 60.40 3fom s ILE 7 Cb -0.11 -0.87 0.00 0.00 0.01 0.00 0.00 42.46 41.49 3fom s ILE 7 CO 0.06 0.30 -0.13 -1.10 0.00 0.00 0.00 174.94 174.07 3fom s GLN 8 N 0.25 1.45 -0.10 2.79 -0.21 -0.21 -4.99 119.66 118.64 3fom s GLN 8 Ca -0.05 -0.47 0.03 0.00 0.02 0.00 0.00 55.36 54.90 3fom s GLN 8 Cb -0.10 -1.28 -0.01 0.00 1.00 0.00 0.00 33.01 32.62 3fom s GLN 8 CO 0.01 0.17 -0.21 0.08 -2.12 0.00 0.00 175.29 173.22 3fom s VAL 9 N 0.17 2.35 -0.11 1.09 1.01 -1.26 0.13 120.40 123.78 3fom s VAL 9 Ca -0.05 -0.93 -0.33 0.00 0.00 0.00 0.00 61.98 60.68 3fom s VAL 9 Cb -0.11 -1.92 0.12 0.00 0.00 0.00 0.00 36.38 34.48 3fom s VAL 9 CO 0.02 0.55 1.08 -0.72 0.00 0.00 0.00 175.10 176.03 3fom s TYR 10 N 0.21 -0.21 0.38 5.22 1.13 -0.43 -4.62 117.35 119.02 3fom s TYR 10 Ca -0.13 0.13 -0.01 0.00 -1.41 0.00 0.00 57.07 55.65 3fom s TYR 10 Cb -0.16 0.52 -0.03 0.00 -1.10 0.00 0.00 41.96 41.19 3fom s TYR 10 CO 0.07 -0.34 0.61 -1.54 -2.51 0.00 0.00 175.55 171.83 3fom s SER 11 N -2.31 6.28 0.06 -0.18 1.04 -1.26 -0.34 113.70 116.99 3fom s SER 11 Ca 0.08 0.56 -0.13 0.00 0.48 0.00 0.00 55.95 56.93 3fom s SER 11 Cb -0.01 -2.08 -0.27 0.00 0.10 0.00 0.00 66.02 63.77 3fom s SER 11 CO -0.06 -0.37 1.13 -0.09 0.98 0.00 0.00 173.24 174.83 3fom h ARG 12 N 0.62 0.60 -6.19 4.02 2.43 -0.90 -3.46 114.38 111.51 3fom h ARG 12 Ca -0.49 -0.78 -0.57 0.00 -0.81 0.00 0.00 59.98 57.32 3fom h ARG 12 Cb 1.22 0.25 -0.11 0.00 -0.42 0.00 0.00 29.97 30.91 3fom h ARG 12 CO 0.61 1.35 -0.67 -1.01 -1.51 0.00 0.00 179.97 178.74 3fom s HIS 13 N -3.02 2.57 0.17 2.20 3.76 -1.26 -5.03 115.29 114.68 3fom s HIS 13 Ca -0.09 -0.27 -0.33 0.00 -0.15 0.00 0.00 55.06 54.22 3fom s HIS 13 Cb 0.06 -1.16 -0.13 0.00 1.11 0.00 0.00 32.58 32.46 3fom s HIS 13 CO 0.93 0.64 1.65 -2.30 -0.85 0.00 0.00 174.74 174.80 3fom n PRO 14 N -0.83 2.40 -2.07 8.40 -0.02 -1.26 -4.90 135.00 136.72 3fom n PRO 14 Ca -0.06 0.87 -0.42 0.00 -2.02 0.00 0.00 63.50 61.87 3fom n PRO 14 Cb 0.59 -2.67 -0.03 0.00 -0.02 0.00 0.00 33.50 31.37 3fom n PRO 14 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 3fom s PRO 15 N 1.14 4.28 -0.17 0.52 0.04 -1.26 -5.02 135.00 134.53 3fom s PRO 15 Ca 0.78 2.19 -0.01 0.00 0.04 0.00 0.00 61.00 64.00 3fom s PRO 15 Cb -0.61 -3.21 0.05 0.00 0.04 0.00 0.00 34.50 30.77 3fom s PRO 15 CO 0.36 -0.50 -0.02 -1.21 0.04 0.00 0.00 177.00 175.67 3fom s GLU 16 N 1.06 1.15 0.12 4.56 2.02 -1.26 -5.11 118.70 121.23 3fom s GLU 16 Ca 0.66 -0.48 -0.34 0.00 0.02 0.00 0.00 54.97 54.83 3fom s GLU 16 Cb -0.40 -2.00 -0.17 0.00 0.10 0.00 0.00 34.13 31.66 3fom s GLU 16 CO 0.31 -0.50 1.02 0.09 0.02 0.00 0.00 175.26 176.21 3fom n ASN 17 N 4.93 0.47 0.00 -0.19 3.02 -1.26 -1.36 115.26 120.86 3fom n ASN 17 Ca -0.11 1.14 0.00 0.00 -0.03 0.00 0.00 54.58 55.59 3fom n ASN 17 Cb 0.47 -1.08 0.00 0.00 -0.61 0.00 0.00 39.78 38.57 3fom n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fom n GLY 18 N 1.89 0.54 3.12 7.41 0.00 0.48 -4.98 105.19 113.65 3fom n GLY 18 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 3fom n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3fom s LYS 19 N -0.05 2.87 0.04 1.61 1.02 -0.46 -5.00 119.74 119.77 3fom s LYS 19 Ca 0.00 -0.92 -0.34 0.00 0.02 0.00 0.00 55.97 54.73 3fom s LYS 19 Cb 0.00 -2.67 -0.18 0.00 -0.52 0.00 0.00 37.83 34.47 3fom s LYS 19 CO 0.00 -0.28 0.87 -2.30 -0.92 0.00 0.00 175.35 172.72 3fom n PRO 20 N 4.60 0.00 -2.65 -1.68 -0.02 -1.26 -4.45 135.00 129.54 3fom n PRO 20 Ca -0.19 0.00 -0.06 0.00 -2.02 0.00 0.00 63.50 61.22 3fom n PRO 20 Cb 0.49 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.67 3fom n PRO 20 CO 0.00 0.00 0.00 -1.71 1.98 0.00 0.00 175.50 175.77 3fom n ASN 21 N 1.49 -0.43 -4.14 2.55 2.85 0.29 -4.99 115.26 112.88 3fom n ASN 21 Ca 0.18 -1.78 -0.26 0.00 -0.11 0.00 0.00 54.58 52.61 3fom n ASN 21 Cb 0.11 0.86 -0.16 0.00 1.24 0.00 0.00 39.78 41.83 3fom n ASN 21 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 3fom s ILE 22 N -2.56 1.40 -0.14 -1.44 -1.09 -1.26 -2.42 121.20 113.68 3fom s ILE 22 Ca 0.13 -0.71 -0.04 0.00 -2.23 0.00 0.00 60.65 57.80 3fom s ILE 22 Cb 0.00 -1.19 -0.03 0.00 -1.58 0.00 0.00 42.46 39.66 3fom s ILE 22 CO 0.09 0.40 -0.02 -0.22 -1.23 0.00 0.00 174.94 173.97 3fom s LEU 23 N -0.05 3.38 -0.08 2.97 2.96 -0.30 -0.11 118.68 127.44 3fom s LEU 23 Ca -0.01 -0.05 0.02 0.00 -0.22 0.00 0.00 54.13 53.87 3fom s LEU 23 Cb -0.10 -1.81 -0.02 0.00 0.50 0.00 0.00 46.19 44.76 3fom s LEU 23 CO 0.01 0.21 -0.15 0.20 -1.32 0.00 0.00 176.35 175.30 3fom s ASN 24 N 0.12 3.89 -0.35 3.68 0.01 0.53 -1.83 114.94 120.99 3fom s ASN 24 Ca 0.00 -0.29 -0.02 0.00 -0.71 0.00 0.00 52.86 51.84 3fom s ASN 24 Cb -0.13 -1.16 0.08 0.00 0.41 0.00 0.00 41.25 40.44 3fom s ASN 24 CO 0.02 0.26 0.09 0.00 -1.51 0.00 0.00 177.10 175.97 3fom s TYR 26 N 1.20 3.22 -0.15 0.00 5.04 0.12 -1.46 117.35 125.32 3fom s TYR 26 Ca 0.01 -0.19 0.01 0.00 -2.44 0.00 0.00 57.07 54.46 3fom s TYR 26 Cb -0.21 -2.58 0.00 0.00 0.35 0.00 0.00 41.96 39.52 3fom s TYR 26 CO -0.02 -0.43 -0.17 0.08 -1.34 0.00 0.00 175.55 173.67 3fom s VAL 27 N 1.85 2.53 0.25 3.14 1.01 -0.54 -1.04 120.40 127.60 3fom s VAL 27 Ca 0.08 -0.82 0.01 0.00 0.00 0.00 0.00 61.98 61.26 3fom s VAL 27 Cb -0.17 -2.06 -0.04 0.00 0.00 0.00 0.00 36.38 34.11 3fom s VAL 27 CO 0.11 0.52 0.15 0.42 0.00 0.00 0.00 175.10 176.30 3fom s THR 28 N 0.79 0.16 -1.43 3.92 -4.23 0.48 -1.55 115.64 113.79 3fom s THR 28 Ca -0.06 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.41 3fom s THR 28 Cb -0.15 -2.53 0.00 0.00 1.34 0.00 0.00 72.50 71.16 3fom s THR 28 CO -0.00 0.00 0.49 0.00 -0.54 0.00 0.00 174.62 174.57 3fom n GLN 29 N -0.41 -4.11 -4.32 3.99 1.13 -0.83 0.02 117.38 112.85 3fom n GLN 29 Ca 0.02 0.83 -0.27 0.00 -1.94 0.00 0.00 57.00 55.65 3fom n GLN 29 Cb 0.65 -5.49 -0.10 0.00 0.11 0.00 0.00 30.24 25.42 3fom n GLN 29 CO 0.00 0.00 0.00 -0.59 -1.44 0.00 0.00 177.06 175.03 3fom s PHE 30 N -3.10 2.55 -0.24 1.08 -0.71 -1.19 -4.03 117.98 112.33 3fom s PHE 30 Ca 0.24 -0.26 -0.19 0.00 -1.04 0.00 0.00 56.93 55.69 3fom s PHE 30 Cb -0.11 -1.25 0.07 0.00 -1.21 0.00 0.00 43.02 40.52 3fom s PHE 30 CO 0.30 0.51 0.63 -1.58 -1.34 0.00 0.00 175.22 173.74 3fom s HIS 31 N -1.69 -0.80 0.95 3.49 2.46 -1.03 -0.97 115.29 117.69 3fom s HIS 31 Ca 0.24 1.80 -0.14 0.00 0.47 0.00 0.00 55.06 57.42 3fom s HIS 31 Cb -0.09 0.36 0.17 0.00 -0.13 0.00 0.00 32.58 32.89 3fom s HIS 31 CO 0.14 -0.39 1.19 -1.25 -2.47 0.00 0.00 174.74 171.96 3fom s PRO 32 N 0.82 0.80 0.50 2.88 0.04 -1.26 -1.06 135.00 137.72 3fom s PRO 32 Ca -0.04 0.01 0.17 0.00 0.04 0.00 0.00 61.00 61.18 3fom s PRO 32 Cb -0.05 -1.83 1.21 0.00 0.04 0.00 0.00 34.50 33.88 3fom s PRO 32 CO -0.07 -2.37 2.10 -1.00 0.04 0.00 0.00 177.00 175.70 3fom h PRO 33 N -1.62 0.00 -6.57 0.56 0.13 -1.99 -3.44 132.00 119.07 3fom h PRO 33 Ca -0.47 0.00 -0.53 0.00 -0.87 0.00 0.00 66.00 64.13 3fom h PRO 33 Cb 1.30 0.00 0.03 0.00 0.13 0.00 0.00 31.00 32.46 3fom h PRO 33 CO 0.52 0.07 0.79 -1.58 -0.23 0.00 0.00 178.00 177.57 3fom s HIS 34 N -4.85 3.17 -0.10 1.56 2.46 -1.26 -4.97 115.29 111.30 3fom s HIS 34 Ca -0.05 0.82 -0.29 0.00 0.47 0.00 0.00 55.06 56.02 3fom s HIS 34 Cb 0.16 -3.78 0.07 0.00 -0.13 0.00 0.00 32.58 28.90 3fom s HIS 34 CO 0.67 -2.80 0.67 -1.50 -2.47 0.00 0.00 174.74 169.31 3fom s ILE 35 N 1.11 0.00 -0.20 0.89 2.07 -1.26 -4.64 121.20 119.18 3fom s ILE 35 Ca 0.67 -0.02 0.01 0.00 -1.41 0.00 0.00 60.65 59.89 3fom s ILE 35 Cb -0.40 -0.97 0.02 0.00 0.13 0.00 0.00 42.46 41.24 3fom s ILE 35 CO 0.31 -0.01 -0.17 -1.61 -1.91 0.00 0.00 174.94 171.55 3fom s GLU 36 N -0.82 2.94 -0.13 3.50 2.02 -0.45 -5.00 118.70 120.77 3fom s GLU 36 Ca -0.08 -0.87 0.02 0.00 0.02 0.00 0.00 54.97 54.05 3fom s GLU 36 Cb -0.01 -2.67 -0.00 0.00 0.10 0.00 0.00 34.13 31.55 3fom s GLU 36 CO 0.08 -0.26 -0.19 0.42 0.02 0.00 0.00 175.26 175.33 3fom s ILE 37 N 1.29 2.44 -0.01 -1.63 1.01 -1.26 -0.37 121.20 122.67 3fom s ILE 37 Ca 0.03 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.86 3fom s ILE 37 Cb -0.14 -1.99 -0.01 0.00 0.01 0.00 0.00 42.46 40.33 3fom s ILE 37 CO -0.11 0.54 -0.15 0.00 0.00 0.00 0.00 174.94 175.22 3fom s GLN 38 N 0.52 1.21 -0.12 2.79 -2.07 -0.44 -4.98 119.66 116.56 3fom s GLN 38 Ca -0.12 -0.57 -0.11 0.00 -1.82 0.00 0.00 55.36 52.74 3fom s GLN 38 Cb -0.17 -1.18 -0.05 0.00 -1.09 0.00 0.00 33.01 30.53 3fom s GLN 38 CO 0.05 0.32 0.22 -1.64 -1.32 0.00 0.00 175.29 172.92 3fom s MET 39 N -0.43 3.88 -0.04 9.60 -1.94 -1.26 0.76 119.30 129.86 3fom s MET 39 Ca 0.06 0.01 0.05 0.00 -1.71 0.00 0.00 55.69 54.09 3fom s MET 39 Cb -0.06 -3.30 -0.02 0.00 2.01 0.00 0.00 34.83 33.46 3fom s MET 39 CO -0.00 0.53 -0.20 -0.51 -0.01 0.00 0.00 175.02 174.83 3fom s LEU 40 N -0.39 2.40 -0.20 -0.03 1.43 0.24 -0.53 118.68 121.61 3fom s LEU 40 Ca 0.16 -0.34 -0.02 0.00 -1.03 0.00 0.00 54.13 52.90 3fom s LEU 40 Cb -0.13 -1.46 0.00 0.00 0.03 0.00 0.00 46.19 44.64 3fom s LEU 40 CO 0.04 0.32 -0.11 -0.75 0.23 0.00 0.00 176.35 176.08 3fom s LYS 41 N -0.57 3.21 -1.78 1.70 2.20 0.54 -2.09 119.74 122.94 3fom s LYS 41 Ca 0.08 -0.71 0.00 0.00 -0.36 0.00 0.00 55.97 54.98 3fom s LYS 41 Cb -0.11 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.40 3fom s LYS 41 CO 0.01 -0.19 0.00 0.09 -0.36 0.00 0.00 175.35 174.90 3fom n ASN 42 N 4.68 -4.98 0.00 1.43 3.02 -0.65 -1.41 115.26 117.34 3fom n ASN 42 Ca -0.19 0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.65 3fom n ASN 42 Cb 0.51 -4.34 0.00 0.00 -0.61 0.00 0.00 39.78 35.33 3fom n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3fom n GLY 43 N -0.58 0.28 3.60 7.41 0.00 -1.26 -5.02 105.19 109.61 3fom n GLY 43 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.48 3fom n GLY 43 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3fom s LYS 44 N -0.82 2.88 -0.20 1.61 2.20 -0.50 -5.00 119.74 119.91 3fom s LYS 44 Ca 0.00 -0.51 -0.40 0.00 -0.36 0.00 0.00 55.97 54.69 3fom s LYS 44 Cb 0.00 -2.66 -0.17 0.00 -1.51 0.00 0.00 37.83 33.49 3fom s LYS 44 CO 0.00 0.63 1.57 1.63 -0.36 0.00 0.00 175.35 178.83 3fom n LYS 45 N 2.33 0.89 -2.57 4.03 4.76 -1.26 -0.34 118.16 126.00 3fom n LYS 45 Ca -0.18 0.33 -0.38 0.00 -2.87 0.00 0.00 58.31 55.21 3fom n LYS 45 Cb 0.53 -1.96 -0.05 0.00 -1.84 0.00 0.00 35.03 31.72 3fom n LYS 45 CO 0.00 0.00 0.00 0.42 -1.37 0.00 0.00 177.40 176.45 3fom s ILE 46 N 2.44 3.75 0.05 -0.18 1.01 0.31 -4.79 121.20 123.80 3fom s ILE 46 Ca 0.95 1.47 -0.16 0.00 0.00 0.00 0.00 60.65 62.92 3fom s ILE 46 Cb -1.12 -3.83 -0.06 0.00 0.01 0.00 0.00 42.46 37.46 3fom s ILE 46 CO 0.63 0.14 0.49 -2.16 0.00 0.00 0.00 174.94 174.04 3fom s PRO 47 N -2.11 4.03 -0.88 2.79 0.04 -1.26 -4.58 135.00 133.04 3fom s PRO 47 Ca 0.53 0.54 -0.05 0.00 0.04 0.00 0.00 61.00 62.05 3fom s PRO 47 Cb -0.24 -3.18 -0.00 0.00 0.04 0.00 0.00 34.50 31.12 3fom s PRO 47 CO 0.30 0.64 0.69 1.63 0.04 0.00 0.00 177.00 180.30 3fom n LYS 48 N 1.60 -1.38 -3.46 4.56 4.76 -1.26 -4.98 118.16 118.00 3fom n LYS 48 Ca -0.11 0.95 -0.30 0.00 -2.87 0.00 0.00 58.31 55.99 3fom n LYS 48 Cb 0.52 -4.06 -0.04 0.00 -1.84 0.00 0.00 35.03 29.61 3fom n LYS 48 CO 0.00 0.00 0.00 0.14 -1.37 0.00 0.00 177.40 176.17 3fom s VAL 49 N -3.12 5.05 0.05 -0.18 -7.23 -1.26 -5.03 120.40 108.69 3fom s VAL 49 Ca 0.13 0.09 -0.20 0.00 -1.81 0.00 0.00 61.98 60.19 3fom s VAL 49 Cb -0.04 -3.69 -0.06 0.00 0.56 0.00 0.00 36.38 33.15 3fom s VAL 49 CO 0.83 -0.18 0.57 -1.61 -0.31 0.00 0.00 175.10 174.40 3fom s GLU 50 N -3.20 4.23 -0.09 4.82 2.02 -0.00 -4.90 118.70 121.57 3fom s GLU 50 Ca 0.43 0.73 0.01 0.00 0.02 0.00 0.00 54.97 56.16 3fom s GLU 50 Cb -0.11 -3.27 -0.02 0.00 0.10 0.00 0.00 34.13 30.83 3fom s GLU 50 CO 0.27 0.57 -0.10 -1.64 0.02 0.00 0.00 175.26 174.38 3fom s MET 51 N -0.87 3.01 1.06 1.61 -1.94 -1.26 -0.86 119.30 120.05 3fom s MET 51 Ca 0.29 -0.62 -0.14 0.00 -1.71 0.00 0.00 55.69 53.51 3fom s MET 51 Cb -0.19 -2.59 0.22 0.00 2.01 0.00 0.00 34.83 34.28 3fom s MET 51 CO 0.18 0.46 1.09 -1.54 -0.01 0.00 0.00 175.02 175.20 3fom s SER 52 N -0.28 2.09 -0.01 3.03 1.04 -0.50 -4.96 113.70 114.12 3fom s SER 52 Ca 0.03 1.09 -0.30 0.00 0.48 0.00 0.00 55.95 57.25 3fom s SER 52 Cb -0.13 -1.70 -0.07 0.00 0.10 0.00 0.00 66.02 64.23 3fom s SER 52 CO 0.03 -3.45 1.76 -1.81 0.98 0.00 0.00 173.24 170.74 3fom s ASP 53 N -3.46 6.59 0.46 7.02 1.11 -1.26 -4.82 116.67 122.30 3fom s ASP 53 Ca 0.67 2.42 -0.25 0.00 0.18 0.00 0.00 52.55 55.57 3fom s ASP 53 Cb -0.18 -2.54 -0.08 0.00 1.07 0.00 0.00 42.92 41.19 3fom s ASP 53 CO 0.58 -0.96 1.36 0.80 1.18 0.00 0.00 175.17 178.13 3fom n MET 54 N 7.03 2.05 -0.32 8.23 1.56 -1.26 -4.88 117.12 129.54 3fom n MET 54 Ca 0.18 0.73 0.00 0.00 -0.27 0.00 0.00 57.70 58.34 3fom n MET 54 Cb 0.42 -2.54 0.00 0.00 2.15 0.00 0.00 33.22 33.25 3fom n MET 54 CO 0.00 0.00 0.00 0.45 -0.73 0.00 0.00 175.97 175.69 3fom n SER 55 N -0.18 0.25 -3.95 6.12 2.88 -1.05 -5.00 113.62 112.69 3fom n SER 55 Ca 0.06 -0.16 -0.10 0.00 -1.33 0.00 0.00 58.87 57.35 3fom n SER 55 Cb 0.41 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.81 3fom n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 3fom s PHE 56 N -0.93 0.37 0.52 0.66 -0.12 -1.26 -1.37 117.98 115.84 3fom s PHE 56 Ca 0.00 -0.73 0.07 0.00 -0.05 0.00 0.00 56.93 56.22 3fom s PHE 56 Cb 0.00 -0.03 0.04 0.00 -0.63 0.00 0.00 43.02 42.40 3fom s PHE 56 CO 0.00 -0.73 0.54 -1.12 -0.05 0.00 0.00 175.22 173.85 3fom s SER 57 N -2.96 4.92 0.50 1.98 0.01 -0.06 -4.92 113.70 113.17 3fom s SER 57 Ca 0.17 -0.97 0.30 0.00 1.31 0.00 0.00 55.95 56.75 3fom s SER 57 Cb 0.03 0.13 1.40 0.00 0.21 0.00 0.00 66.02 67.79 3fom s SER 57 CO -0.00 -1.08 1.80 0.50 0.41 0.00 0.00 173.24 174.88 3fom h LYS 58 N 0.61 0.12 -0.07 12.44 3.64 -2.03 1.13 116.57 132.41 3fom h LYS 58 Ca -0.35 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.02 3fom h LYS 58 Cb 1.29 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 3fom h LYS 58 CO 0.51 0.08 0.00 -0.40 -2.27 0.00 0.00 179.45 177.37 3fom n ASP 59 N -4.34 0.54 0.00 4.20 5.68 -1.26 -4.89 116.55 116.48 3fom n ASP 59 Ca 0.25 -1.69 0.00 0.00 -0.50 0.00 0.00 54.79 52.84 3fom n ASP 59 Cb 1.09 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 41.02 3fom n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 3fom n TRP 60 N -0.35 0.00 -2.26 2.11 7.02 0.39 -5.03 117.44 119.33 3fom n TRP 60 Ca 0.11 0.00 -0.38 0.00 -1.02 0.00 0.00 57.50 56.21 3fom n TRP 60 Cb 0.13 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.00 3fom n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3fom s SER 61 N -1.78 6.39 0.56 -0.99 1.04 -1.26 -4.52 113.70 113.14 3fom s SER 61 Ca 0.00 2.36 -0.04 0.00 0.48 0.00 0.00 55.95 58.75 3fom s SER 61 Cb 0.00 -2.61 0.01 0.00 0.10 0.00 0.00 66.02 63.51 3fom s SER 61 CO 0.00 -0.77 0.85 -0.36 0.98 0.00 0.00 173.24 173.94 3fom s PHE 62 N -1.44 3.24 -0.04 5.02 0.08 -0.15 -0.88 117.98 123.81 3fom s PHE 62 Ca 0.59 0.53 -0.30 0.00 0.12 0.00 0.00 56.93 57.88 3fom s PHE 62 Cb -0.31 -2.64 0.08 0.00 -0.57 0.00 0.00 43.02 39.58 3fom s PHE 62 CO 0.38 -0.72 0.72 1.52 -0.10 0.00 0.00 175.22 177.03 3fom s TYR 63 N -2.89 -0.60 -0.06 0.36 1.13 -0.47 -1.96 117.35 112.87 3fom s TYR 63 Ca 0.53 0.93 -0.21 0.00 -1.41 0.00 0.00 57.07 56.91 3fom s TYR 63 Cb -0.10 0.44 0.04 0.00 -1.10 0.00 0.00 41.96 41.24 3fom s TYR 63 CO 0.43 -0.60 0.47 -1.50 -2.51 0.00 0.00 175.55 171.85 3fom s ILE 64 N -1.55 0.03 -0.21 -3.49 2.07 -0.59 -2.53 121.20 114.92 3fom s ILE 64 Ca -0.08 -0.22 -0.05 0.00 -1.41 0.00 0.00 60.65 58.89 3fom s ILE 64 Cb -0.00 -0.76 -0.02 0.00 0.13 0.00 0.00 42.46 41.80 3fom s ILE 64 CO 0.05 -0.12 -0.00 -0.22 -1.91 0.00 0.00 174.94 172.74 3fom s LEU 65 N -0.98 3.19 -0.07 8.50 2.96 -1.26 -1.47 118.68 129.55 3fom s LEU 65 Ca -0.10 -0.25 -0.01 0.00 -0.22 0.00 0.00 54.13 53.54 3fom s LEU 65 Cb -0.03 -1.82 -0.03 0.00 0.50 0.00 0.00 46.19 44.81 3fom s LEU 65 CO 0.06 0.03 0.00 0.00 -1.32 0.00 0.00 176.35 175.12 3fom s ALA 66 N 1.22 3.29 0.05 5.97 0.00 -0.54 -1.41 121.76 130.36 3fom s ALA 66 Ca 0.03 -0.82 -0.18 0.00 0.00 0.00 0.00 51.96 50.99 3fom s ALA 66 Cb -0.15 -1.47 0.04 0.00 0.00 0.00 0.00 23.12 21.54 3fom s ALA 66 CO 0.01 0.60 0.41 -3.38 0.00 0.00 0.00 175.76 173.40 3fom s HIS 67 N -0.92 -0.26 0.09 0.00 -3.43 -0.04 0.07 115.29 110.80 3fom s HIS 67 Ca 0.14 0.20 -0.22 0.00 -0.80 0.00 0.00 55.06 54.38 3fom s HIS 67 Cb -0.11 0.23 0.05 0.00 -1.43 0.00 0.00 32.58 31.32 3fom s HIS 67 CO 0.03 -0.59 0.53 -0.08 -2.00 0.00 0.00 174.74 172.63 3fom s THR 68 N -2.62 0.03 0.51 -5.38 -1.32 -0.76 -0.82 115.64 105.27 3fom s THR 68 Ca -0.04 -0.23 -0.22 0.00 -1.21 0.00 0.00 61.69 59.99 3fom s THR 68 Cb -0.00 -1.02 -0.06 0.00 -1.51 0.00 0.00 72.50 69.90 3fom s THR 68 CO -0.03 -0.13 1.27 -1.61 -2.21 0.00 0.00 174.62 171.91 3fom s GLU 69 N -3.05 3.40 -0.01 7.08 8.01 -1.26 -1.15 118.70 131.72 3fom s GLU 69 Ca -0.02 2.02 -0.29 0.00 0.01 0.00 0.00 54.97 56.69 3fom s GLU 69 Cb -0.00 -2.31 0.07 0.00 -4.31 0.00 0.00 34.13 27.58 3fom s GLU 69 CO -0.07 -0.92 0.65 -0.59 0.01 0.00 0.00 175.26 174.35 3fom s PHE 70 N -1.42 -0.62 -0.28 1.61 -0.71 -1.02 -4.80 117.98 110.76 3fom s PHE 70 Ca 0.68 0.95 0.02 0.00 -1.04 0.00 0.00 56.93 57.55 3fom s PHE 70 Cb -0.35 0.42 0.07 0.00 -1.21 0.00 0.00 43.02 41.95 3fom s PHE 70 CO 0.42 -0.64 -0.04 0.99 -1.34 0.00 0.00 175.22 174.61 3fom s THR 71 N -1.63 1.92 0.38 -4.49 2.01 -1.26 -0.55 115.64 112.01 3fom s THR 71 Ca -0.09 -1.69 -0.28 0.00 0.31 0.00 0.00 61.69 59.95 3fom s THR 71 Cb -0.00 -2.20 -0.10 0.00 0.01 0.00 0.00 72.50 70.20 3fom s THR 71 CO 0.06 -0.25 1.43 -2.16 -0.69 0.00 0.00 174.62 173.02 3fom s PRO 72 N 1.17 4.08 0.46 4.92 0.04 -1.26 -4.74 135.00 139.67 3fom s PRO 72 Ca -0.01 2.46 0.03 0.00 0.04 0.00 0.00 61.00 63.51 3fom s PRO 72 Cb -0.19 -2.93 -0.01 0.00 0.04 0.00 0.00 34.50 31.41 3fom s PRO 72 CO -0.08 -0.51 0.10 0.95 0.04 0.00 0.00 177.00 177.50 3fom s THR 73 N -1.14 0.68 0.27 1.26 -4.23 -1.26 -0.39 115.64 110.82 3fom s THR 73 Ca 0.53 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 59.05 3fom s THR 73 Cb -0.44 -2.21 0.06 0.00 1.34 0.00 0.00 72.50 71.25 3fom s THR 73 CO 0.59 0.00 1.70 -0.33 -0.54 0.00 0.00 174.62 176.05 3fom h GLU 74 N 1.59 0.55 0.00 3.99 4.39 -1.99 -3.37 114.58 119.74 3fom h GLU 74 Ca -0.37 -0.21 -0.12 0.00 0.34 0.00 0.00 59.36 59.00 3fom h GLU 74 Cb 1.29 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.89 3fom h GLU 74 CO 0.60 0.75 -1.45 0.25 -1.16 0.00 0.00 179.01 178.00 3fom n THR 75 N -4.12 0.45 -1.69 1.13 -2.24 -1.26 -4.99 114.28 101.56 3fom n THR 75 Ca -0.00 -0.28 -0.43 0.00 -2.27 0.00 0.00 64.05 61.06 3fom n THR 75 Cb 0.41 -0.82 -0.02 0.00 -2.10 0.00 0.00 70.33 67.81 3fom n THR 75 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 3fom n ASP 76 N -2.24 2.77 -4.56 3.42 10.43 -1.26 -4.99 116.55 120.12 3fom n ASP 76 Ca -0.11 1.18 -0.26 0.00 2.57 0.00 0.00 54.79 58.17 3fom n ASP 76 Cb 0.71 -1.46 -0.09 0.00 1.84 0.00 0.00 41.12 42.12 3fom n ASP 76 CO 0.00 0.00 0.00 0.42 -1.07 0.00 0.00 177.20 176.55 3fom s THR 77 N -0.59 3.07 0.04 -3.53 -4.23 -1.26 -4.67 115.64 104.47 3fom s THR 77 Ca 0.61 -1.84 0.03 0.00 -1.18 0.00 0.00 61.69 59.31 3fom s THR 77 Cb -0.60 -2.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.66 3fom s THR 77 CO 0.56 -0.20 -0.09 -0.31 -0.54 0.00 0.00 174.62 174.04 3fom s TYR 78 N -1.93 0.77 0.05 3.99 1.51 -1.26 -1.64 117.35 118.83 3fom s TYR 78 Ca 0.26 -0.45 -0.20 0.00 -1.01 0.00 0.00 57.07 55.68 3fom s TYR 78 Cb -0.08 -0.45 0.04 0.00 -0.11 0.00 0.00 41.96 41.36 3fom s TYR 78 CO 0.16 -0.05 0.45 0.00 -1.11 0.00 0.00 175.55 175.00 3fom s ALA 79 N -1.21 -1.13 -0.08 3.71 0.00 -0.89 0.45 121.76 122.62 3fom s ALA 79 Ca -0.07 0.41 0.03 0.00 0.00 0.00 0.00 51.96 52.33 3fom s ALA 79 Cb -0.09 0.37 -0.02 0.00 0.00 0.00 0.00 23.12 23.38 3fom s ALA 79 CO 0.01 -0.48 -0.16 0.00 0.00 0.00 0.00 175.76 175.13 3fom s ARG 81 N -0.30 2.99 -0.15 0.00 3.52 0.23 -1.42 118.95 123.81 3fom s ARG 81 Ca 0.02 -0.85 -0.01 0.00 -0.13 0.00 0.00 55.73 54.75 3fom s ARG 81 Cb -0.13 -2.75 -0.01 0.00 -1.56 0.00 0.00 34.95 30.50 3fom s ARG 81 CO 0.03 -0.27 -0.10 0.08 -0.81 0.00 0.00 175.30 174.23 3fom s VAL 82 N 1.32 3.21 -0.21 7.11 1.01 0.97 -1.33 120.40 132.48 3fom s VAL 82 Ca 0.03 -0.59 -0.01 0.00 0.00 0.00 0.00 61.98 61.41 3fom s VAL 82 Cb -0.14 -2.38 0.01 0.00 0.00 0.00 0.00 36.38 33.87 3fom s VAL 82 CO -0.09 0.50 -0.12 -0.75 0.00 0.00 0.00 175.10 174.64 3fom s LYS 83 N 0.60 3.06 -0.02 2.72 2.20 0.50 -0.25 119.74 128.56 3fom s LYS 83 Ca -0.06 -0.81 -0.04 0.00 -0.36 0.00 0.00 55.97 54.70 3fom s LYS 83 Cb -0.15 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.36 3fom s LYS 83 CO 0.03 -0.26 0.10 -1.58 -0.36 0.00 0.00 175.35 173.28 3fom s HIS 84 N 1.36 -0.00 0.59 4.03 2.46 -1.26 -1.34 115.29 121.11 3fom s HIS 84 Ca 0.04 0.02 0.29 0.00 0.47 0.00 0.00 55.06 55.87 3fom s HIS 84 Cb -0.14 -0.03 1.46 0.00 -0.13 0.00 0.00 32.58 33.74 3fom s HIS 84 CO -0.08 -0.16 1.88 -0.44 -2.47 0.00 0.00 174.74 173.47 3fom h ASP 85 N 5.18 0.00 0.86 9.88 3.32 -1.94 -1.38 116.42 132.34 3fom h ASP 85 Ca -0.28 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.77 3fom h ASP 85 Cb 1.20 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3fom h ASP 85 CO 0.42 0.00 0.00 -1.54 -1.72 0.00 0.00 179.24 176.40 3fom n SER 86 N -3.73 0.18 -4.21 6.45 3.41 -1.26 -4.71 113.62 109.74 3fom n SER 86 Ca 0.09 0.53 -0.30 0.00 -0.26 0.00 0.00 58.87 58.94 3fom n SER 86 Cb 0.71 -0.57 -0.16 0.00 -0.26 0.00 0.00 64.21 63.93 3fom n SER 86 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 3fom s MET 87 N -3.05 2.31 0.20 4.33 -1.94 -0.52 -4.91 119.30 115.72 3fom s MET 87 Ca 0.10 -0.79 -0.11 0.00 -1.71 0.00 0.00 55.69 53.18 3fom s MET 87 Cb 0.14 -1.95 0.20 0.00 2.01 0.00 0.00 34.83 35.23 3fom s MET 87 CO 0.43 0.31 1.80 0.00 -0.01 0.00 0.00 175.02 177.55 3fom h ALA 88 N 6.19 0.80 -3.45 3.03 0.00 -1.84 -3.43 119.26 120.56 3fom h ALA 88 Ca -0.31 0.02 -0.60 0.00 0.00 0.00 0.00 54.91 54.02 3fom h ALA 88 Cb 1.18 -0.10 -0.20 0.00 0.00 0.00 0.00 17.79 18.67 3fom h ALA 88 CO 0.47 -0.01 -0.83 -1.21 0.00 0.00 0.00 179.25 177.68 3fom s GLU 89 N -6.11 1.30 0.65 0.00 0.41 -1.26 -5.07 118.70 108.62 3fom s GLU 89 Ca -0.13 -1.34 -0.17 0.00 -0.41 0.00 0.00 54.97 52.92 3fom s GLU 89 Cb 0.15 -1.58 -0.05 0.00 -1.78 0.00 0.00 34.13 30.87 3fom s GLU 89 CO 0.75 0.35 0.69 -2.30 -0.49 0.00 0.00 175.26 174.27 3fom n PRO 90 N 0.69 0.54 -4.67 0.39 -0.02 -1.26 -4.86 135.00 125.79 3fom n PRO 90 Ca -0.16 0.22 -0.33 0.00 -2.02 0.00 0.00 63.50 61.21 3fom n PRO 90 Cb 0.55 -1.92 -0.16 0.00 -0.02 0.00 0.00 33.50 31.94 3fom n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 3fom s LYS 91 N -2.63 3.04 -0.15 -0.52 2.20 0.66 -4.92 119.74 117.42 3fom s LYS 91 Ca 0.70 -0.85 -0.05 0.00 -0.36 0.00 0.00 55.97 55.42 3fom s LYS 91 Cb -0.39 -2.45 -0.04 0.00 -1.51 0.00 0.00 37.83 33.44 3fom s LYS 91 CO 0.53 -0.01 0.02 0.99 -0.36 0.00 0.00 175.35 176.53 3fom s THR 92 N 0.80 4.46 -0.07 3.43 2.01 -1.26 -0.02 115.64 124.99 3fom s THR 92 Ca -0.07 -0.16 0.04 0.00 0.31 0.00 0.00 61.69 61.80 3fom s THR 92 Cb -0.16 -2.97 0.00 0.00 0.01 0.00 0.00 72.50 69.39 3fom s THR 92 CO -0.01 0.51 -0.19 -0.69 -0.69 0.00 0.00 174.62 173.54 3fom s VAL 93 N 0.05 1.62 0.13 3.82 1.01 -0.51 -4.99 120.40 121.53 3fom s VAL 93 Ca 0.03 -0.78 -0.09 0.00 0.00 0.00 0.00 61.98 61.14 3fom s VAL 93 Cb -0.13 -1.42 -0.06 0.00 0.00 0.00 0.00 36.38 34.78 3fom s VAL 93 CO 0.02 0.46 0.44 -0.31 0.00 0.00 0.00 175.10 175.70 3fom s TYR 94 N 0.33 3.53 0.04 5.22 1.51 -1.26 -1.19 117.35 125.52 3fom s TYR 94 Ca -0.13 0.77 -0.30 0.00 -1.01 0.00 0.00 57.07 56.40 3fom s TYR 94 Cb -0.15 -2.16 -0.05 0.00 -0.11 0.00 0.00 41.96 39.48 3fom s TYR 94 CO 0.05 0.44 1.26 -0.46 -1.11 0.00 0.00 175.55 175.74 3fom s TRP 95 N -1.55 3.26 -0.10 2.71 -0.00 0.17 -4.86 118.94 118.57 3fom s TRP 95 Ca 0.38 1.15 0.03 0.00 -0.00 0.00 0.00 56.10 57.66 3fom s TRP 95 Cb -0.13 -3.50 0.01 0.00 -0.00 0.00 0.00 33.47 29.85 3fom s TRP 95 CO 0.20 -1.64 -0.19 0.34 -0.00 0.00 0.00 176.95 175.66 3fom s ASP 96 N 1.29 2.65 0.51 5.86 3.68 -1.26 -4.63 116.67 124.78 3fom s ASP 96 Ca 0.60 -0.48 0.31 0.00 2.13 0.00 0.00 52.55 55.11 3fom s ASP 96 Cb -0.30 -1.21 1.11 0.00 -1.45 0.00 0.00 42.92 41.07 3fom s ASP 96 CO 0.28 0.07 1.89 0.08 0.13 0.00 0.00 175.17 177.62 3fom h ARG 97 N 7.11 0.00 -0.95 4.34 0.11 -1.96 -1.65 114.38 121.37 3fom h ARG 97 Ca -0.28 0.00 -0.65 0.00 0.10 0.00 0.00 59.98 59.15 3fom h ARG 97 Cb 1.20 0.00 -0.31 0.00 1.11 0.00 0.00 29.97 31.97 3fom h ARG 97 CO 0.49 0.00 0.59 -3.47 0.10 0.00 0.00 179.97 177.68 3fom n ASP 98 N -3.06 7.13 0.00 0.08 2.03 -1.26 -4.88 116.55 116.59 3fom n ASP 98 Ca 0.01 -3.78 0.00 0.00 0.52 0.00 0.00 54.79 51.55 3fom n ASP 98 Cb 0.36 -0.87 0.00 0.00 -0.72 0.00 0.00 41.12 39.89 3fom n ASP 98 CO 0.00 0.00 0.00 0.23 -1.92 0.00 0.00 177.20 175.51