#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1fbr s GLU 2 N 0.00 3.83 0.43 0.00 2.12 -1.26 -4.79 118.70 119.03 1fbr s GLU 2 Ca 0.00 1.62 -0.10 0.00 0.36 0.00 0.00 54.97 56.85 1fbr s GLU 2 Cb 0.00 -4.01 -0.06 0.00 0.26 0.00 0.00 34.13 30.32 1fbr s GLU 2 CO 0.00 -1.25 0.80 0.15 -0.54 0.00 0.00 175.26 174.42 1fbr s LYS 3 N 4.57 3.75 -0.64 4.30 1.02 -1.26 -0.77 119.74 130.70 1fbr s LYS 3 Ca 0.69 0.47 0.05 0.00 0.02 0.00 0.00 55.97 57.20 1fbr s LYS 3 Cb -0.24 -2.36 0.30 0.00 -0.52 0.00 0.00 37.83 35.01 1fbr s LYS 3 CO 0.28 -0.09 0.92 0.00 -0.92 0.00 0.00 175.35 175.54 1fbr n PHE 5 N 0.22 1.76 1.58 0.00 3.72 -1.26 -4.08 117.46 119.40 1fbr n PHE 5 Ca 0.31 0.59 0.13 0.00 -0.05 0.00 0.00 57.45 58.43 1fbr n PHE 5 Cb 0.39 -2.39 0.57 0.00 -0.94 0.00 0.00 39.48 37.11 1fbr n PHE 5 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 1fbr n ASP 6 N 3.83 1.07 0.00 4.37 -0.08 -0.96 -4.94 116.55 119.84 1fbr n ASP 6 Ca 0.22 -1.45 0.00 0.00 -1.51 0.00 0.00 54.79 52.05 1fbr n ASP 6 Cb 0.16 -0.03 0.00 0.00 2.34 0.00 0.00 41.12 43.60 1fbr n ASP 6 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 1fbr n HIS 7 N -0.13 0.00 0.06 -0.67 -0.00 -1.26 -3.20 115.22 110.02 1fbr n HIS 7 Ca 0.19 0.00 0.20 0.00 -0.00 0.00 0.00 57.72 58.10 1fbr n HIS 7 Cb 0.26 0.00 0.57 0.00 -0.00 0.00 0.00 29.99 30.83 1fbr n HIS 7 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1fbr h ALA 8 N -0.75 2.25 0.04 1.57 0.00 -1.98 0.66 119.26 121.06 1fbr h ALA 8 Ca 0.00 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.56 1fbr h ALA 8 Cb 0.00 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 1fbr h ALA 8 CO 0.00 -1.00 -1.98 0.00 0.00 0.00 0.00 179.25 176.27 1fbr n ALA 9 N -2.13 1.30 -1.05 0.00 0.00 -1.19 -4.97 120.51 112.46 1fbr n ALA 9 Ca 0.10 -0.83 -0.02 0.00 0.00 0.00 0.00 53.44 52.69 1fbr n ALA 9 Cb 0.92 -0.62 -0.01 0.00 0.00 0.00 0.00 19.45 19.74 1fbr n ALA 9 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1fbr n GLY 10 N 1.79 0.54 3.30 0.00 0.00 0.23 -5.02 105.19 106.04 1fbr n GLY 10 Ca -0.27 -0.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.82 1fbr n GLY 10 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1fbr s THR 11 N -2.02 1.95 0.42 2.61 -4.23 -1.26 -4.96 115.64 108.14 1fbr s THR 11 Ca 0.00 -1.28 0.06 0.00 -1.18 0.00 0.00 61.69 59.29 1fbr s THR 11 Cb 0.00 -1.67 0.01 0.00 1.34 0.00 0.00 72.50 72.18 1fbr s THR 11 CO 0.00 0.33 0.58 -0.94 -0.54 0.00 0.00 174.62 174.05 1fbr s SER 12 N -1.14 5.71 -0.35 3.99 1.04 -1.26 -2.26 113.70 119.44 1fbr s SER 12 Ca 0.10 -0.22 0.03 0.00 0.48 0.00 0.00 55.95 56.35 1fbr s SER 12 Cb -0.09 -0.96 0.16 0.00 0.10 0.00 0.00 66.02 65.23 1fbr s SER 12 CO 0.02 -0.71 0.40 -0.31 0.98 0.00 0.00 173.24 173.62 1fbr s TYR 13 N -2.38 -0.62 0.36 5.02 2.02 -1.26 -4.86 117.35 115.64 1fbr s TYR 13 Ca 0.52 -0.41 -0.23 0.00 -0.37 0.00 0.00 57.07 56.58 1fbr s TYR 13 Cb -0.10 -0.28 -0.15 0.00 -0.40 0.00 0.00 41.96 41.03 1fbr s TYR 13 CO 0.34 -0.99 0.31 0.28 -1.57 0.00 0.00 175.55 173.92 1fbr n VAL 14 N 4.59 1.24 -1.35 0.71 0.31 -1.26 -2.44 118.33 120.14 1fbr n VAL 14 Ca 0.08 -0.50 -0.43 0.00 -0.01 0.00 0.00 64.34 63.48 1fbr n VAL 14 Cb 0.47 -0.16 -0.01 0.00 -0.91 0.00 0.00 33.84 33.24 1fbr n VAL 14 CO 0.00 0.00 0.00 0.55 -1.32 0.00 0.00 176.83 176.06 1fbr n VAL 15 N -0.74 1.10 -2.70 2.52 3.14 0.05 -2.18 118.33 119.51 1fbr n VAL 15 Ca 0.13 -0.50 -0.09 0.00 -2.96 0.00 0.00 64.34 60.91 1fbr n VAL 15 Cb 0.37 -0.10 0.02 0.00 -1.06 0.00 0.00 33.84 33.07 1fbr n VAL 15 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 1fbr n GLY 16 N 2.17 0.24 3.67 7.55 0.00 -0.75 -4.99 105.19 113.09 1fbr n GLY 16 Ca 0.12 -0.37 -0.27 0.00 0.00 0.00 0.00 46.02 45.51 1fbr n GLY 16 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1fbr s GLU 17 N -5.19 2.07 -0.19 1.61 0.41 -0.93 -4.94 118.70 111.54 1fbr s GLU 17 Ca 0.17 -2.02 -0.11 0.00 -0.41 0.00 0.00 54.97 52.59 1fbr s GLU 17 Cb -0.07 -1.77 0.06 0.00 -1.78 0.00 0.00 34.13 30.57 1fbr s GLU 17 CO 0.20 -0.09 0.46 0.99 -0.49 0.00 0.00 175.26 176.34 1fbr s THR 18 N -2.67 -0.02 0.31 3.63 2.01 -1.26 -1.61 115.64 116.03 1fbr s THR 18 Ca 0.37 0.06 0.01 0.00 0.31 0.00 0.00 61.69 62.44 1fbr s THR 18 Cb 0.07 -0.67 -0.00 0.00 0.01 0.00 0.00 72.50 71.91 1fbr s THR 18 CO 0.19 0.03 0.39 -2.67 -0.69 0.00 0.00 174.62 171.87 1fbr n TRP 19 N 3.99 -1.17 -4.05 4.92 2.14 -0.77 -4.98 117.44 117.53 1fbr n TRP 19 Ca -0.21 -2.27 -0.36 0.00 2.07 0.00 0.00 57.50 56.73 1fbr n TRP 19 Cb 0.56 0.43 -0.08 0.00 -0.81 0.00 0.00 31.31 31.41 1fbr n TRP 19 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 1fbr s GLU 20 N -2.88 3.39 -0.15 -2.67 2.02 -1.26 -0.97 118.70 116.18 1fbr s GLU 20 Ca 0.29 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.99 1fbr s GLU 20 Cb -0.00 -3.07 0.07 0.00 0.10 0.00 0.00 34.13 31.22 1fbr s GLU 20 CO 0.21 0.67 0.18 0.21 0.02 0.00 0.00 175.26 176.55 1fbr s LYS 21 N -0.75 0.10 0.10 1.61 2.47 -0.65 -4.87 119.74 117.76 1fbr s LYS 21 Ca 0.13 0.32 -0.31 0.00 -1.56 0.00 0.00 55.97 54.55 1fbr s LYS 21 Cb -0.12 -0.89 -0.09 0.00 -1.46 0.00 0.00 37.83 35.27 1fbr s LYS 21 CO 0.03 -0.50 1.74 -1.25 0.16 0.00 0.00 175.35 175.53 1fbr s PRO 22 N 2.29 4.17 0.00 4.03 0.04 -1.26 -2.18 135.00 142.09 1fbr s PRO 22 Ca 0.04 2.47 0.00 0.00 0.04 0.00 0.00 61.00 63.55 1fbr s PRO 22 Cb -0.14 -3.60 0.00 0.00 0.04 0.00 0.00 34.50 30.80 1fbr s PRO 22 CO -0.09 -0.79 0.00 0.98 0.04 0.00 0.00 177.00 177.14 1fbr n TYR 23 N 5.64 0.00 0.00 0.56 4.19 0.24 -4.80 117.16 123.00 1fbr n TYR 23 Ca 0.17 0.00 0.00 0.00 3.31 0.00 0.00 57.90 61.38 1fbr n TYR 23 Cb 0.39 0.00 0.00 0.00 0.49 0.00 0.00 39.34 40.22 1fbr n TYR 23 CO 0.00 0.00 0.00 1.04 0.91 0.00 0.00 176.86 178.81 1fbr n GLN 24 N 0.00 0.00 0.00 2.98 6.02 -1.26 -4.77 117.38 120.34 1fbr n GLN 24 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 57.00 57.07 1fbr n GLN 24 Cb 0.00 -0.60 0.00 0.00 1.02 0.00 0.00 30.24 30.66 1fbr n GLN 24 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1fbr n GLY 25 N -0.18 0.00 0.10 1.08 0.00 -1.26 -4.89 105.19 100.04 1fbr n GLY 25 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1fbr n GLY 25 CO 0.00 0.00 0.00 -2.67 0.00 0.00 0.00 173.32 170.65 1fbr n TRP 26 N -2.38 0.00 -0.99 1.61 4.27 -1.26 -4.98 117.44 113.71 1fbr n TRP 26 Ca 0.00 0.00 -0.35 0.00 -3.89 0.00 0.00 57.50 53.26 1fbr n TRP 26 Cb 0.25 -0.86 0.07 0.00 -1.36 0.00 0.00 31.31 29.42 1fbr n TRP 26 CO 0.00 0.00 0.00 -1.33 -2.29 0.00 0.00 177.69 174.07 1fbr n MET 27 N -3.00 -0.06 -3.64 -2.67 2.81 -1.26 -4.28 117.12 105.02 1fbr n MET 27 Ca -0.36 0.01 -0.10 0.00 -1.81 0.00 0.00 57.70 55.44 1fbr n MET 27 Cb 0.96 -1.48 -0.07 0.00 -0.71 0.00 0.00 33.22 31.92 1fbr n MET 27 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1fbr s MET 28 N -2.68 0.73 0.14 0.03 0.23 -1.26 -0.59 119.30 115.89 1fbr s MET 28 Ca 0.52 1.09 -0.01 0.00 -1.03 0.00 0.00 55.69 56.26 1fbr s MET 28 Cb -0.25 0.24 -0.04 0.00 -1.53 0.00 0.00 34.83 33.25 1fbr s MET 28 CO 0.71 -0.13 0.07 0.14 -2.03 0.00 0.00 175.02 173.79 1fbr s VAL 29 N 1.09 0.09 -0.50 5.16 -7.23 -0.93 -4.86 120.40 113.22 1fbr s VAL 29 Ca -0.06 -1.89 -0.24 0.00 -1.81 0.00 0.00 61.98 57.98 1fbr s VAL 29 Cb -0.05 -2.06 0.03 0.00 0.56 0.00 0.00 36.38 34.86 1fbr s VAL 29 CO -0.11 -0.43 0.91 -1.81 -0.31 0.00 0.00 175.10 173.36 1fbr s ASP 30 N -3.05 6.41 -0.33 4.85 1.11 -0.84 -1.63 116.67 123.20 1fbr s ASP 30 Ca 0.25 -0.13 -0.22 0.00 0.18 0.00 0.00 52.55 52.63 1fbr s ASP 30 Cb 0.07 -2.43 0.00 0.00 1.07 0.00 0.00 42.92 41.63 1fbr s ASP 30 CO 0.02 -1.11 0.74 0.00 1.18 0.00 0.00 175.17 176.00 1fbr s THR 32 N 2.90 4.39 -0.05 0.00 2.01 -1.04 -1.84 115.64 122.02 1fbr s THR 32 Ca 0.30 -0.54 -0.12 0.00 0.31 0.00 0.00 61.69 61.64 1fbr s THR 32 Cb -0.14 -2.99 -0.05 0.00 0.01 0.00 0.00 72.50 69.33 1fbr s THR 32 CO 0.14 0.35 0.31 0.00 -0.69 0.00 0.00 174.62 174.73 1fbr n LEU 34 N 1.98 0.44 -2.94 0.00 -0.00 -1.08 -1.80 117.00 113.59 1fbr n LEU 34 Ca -0.16 -0.52 -0.02 0.00 -0.00 0.00 0.00 56.01 55.32 1fbr n LEU 34 Cb 0.53 0.00 -0.01 0.00 -0.00 0.00 0.00 43.42 43.94 1fbr n LEU 34 CO 0.35 0.11 -0.23 0.61 -0.00 0.00 0.00 177.39 178.23 1fbr n GLY 35 N 0.16 -1.62 0.07 1.47 0.00 -1.25 -4.83 105.19 99.18 1fbr n GLY 35 Ca 0.00 0.55 -0.09 0.00 0.00 0.00 0.00 46.02 46.49 1fbr n GLY 35 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fbr n GLU 36 N 2.22 0.82 0.00 1.61 1.02 -1.26 -4.89 120.64 120.16 1fbr n GLU 36 Ca -0.13 0.06 0.00 0.00 -0.02 0.00 0.00 57.16 57.07 1fbr n GLU 36 Cb 0.22 -1.28 0.00 0.00 -0.02 0.00 0.00 31.44 30.36 1fbr n GLU 36 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1fbr n GLY 37 N 2.71 0.02 0.00 0.62 0.00 -1.26 -4.95 105.19 102.33 1fbr n GLY 37 Ca -0.23 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.75 1fbr n GLY 37 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1fbr n SER 38 N -1.15 0.79 0.00 1.61 3.41 -1.26 -5.03 113.62 111.98 1fbr n SER 38 Ca 0.00 -1.01 0.00 0.00 -0.26 0.00 0.00 58.87 57.60 1fbr n SER 38 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1fbr n SER 38 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1fbr n GLY 39 N -0.00 0.85 3.89 5.00 0.00 -1.26 -4.91 105.19 108.74 1fbr n GLY 39 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.10 1fbr n GLY 39 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1fbr s ARG 40 N -0.27 3.66 -0.16 1.61 6.06 -1.26 -4.86 118.95 123.73 1fbr s ARG 40 Ca 0.00 0.00 -0.02 0.00 -2.50 0.00 0.00 55.73 53.21 1fbr s ARG 40 Cb 0.00 -2.92 0.05 0.00 0.06 0.00 0.00 34.95 32.15 1fbr s ARG 40 CO 0.00 0.51 0.03 0.42 -2.50 0.00 0.00 175.30 173.76 1fbr s ILE 41 N -1.54 0.47 -0.90 4.11 1.09 -1.26 -2.63 121.20 120.54 1fbr s ILE 41 Ca 0.37 -0.36 -0.23 0.00 -1.10 0.00 0.00 60.65 59.34 1fbr s ILE 41 Cb -0.13 -0.88 0.07 0.00 -1.06 0.00 0.00 42.46 40.46 1fbr s ILE 41 CO 0.21 -0.08 1.27 0.28 -0.10 0.00 0.00 174.94 176.52 1fbr s THR 42 N 1.90 4.15 -0.08 2.92 -1.32 0.45 -4.77 115.64 118.88 1fbr s THR 42 Ca 0.01 -0.71 -0.22 0.00 -1.21 0.00 0.00 61.69 59.56 1fbr s THR 42 Cb -0.16 -4.91 -0.04 0.00 -1.51 0.00 0.00 72.50 65.89 1fbr s THR 42 CO -0.07 -1.75 0.66 0.00 -2.21 0.00 0.00 174.62 171.25 1fbr s THR 44 N 0.83 0.05 -0.62 0.00 2.01 -0.95 -4.94 115.64 112.02 1fbr s THR 44 Ca 0.35 -0.37 -0.03 0.00 0.31 0.00 0.00 61.69 61.94 1fbr s THR 44 Cb -0.17 -0.56 0.16 0.00 0.01 0.00 0.00 72.50 71.93 1fbr s THR 44 CO 0.16 -0.21 0.44 -0.94 -0.69 0.00 0.00 174.62 173.39 1fbr s SER 45 N -0.97 5.30 -0.05 3.53 1.04 -1.26 -1.98 113.70 119.31 1fbr s SER 45 Ca -0.10 -2.80 0.18 0.00 0.48 0.00 0.00 55.95 53.71 1fbr s SER 45 Cb -0.05 -1.87 -0.27 0.00 0.10 0.00 0.00 66.02 63.93 1fbr s SER 45 CO 0.03 -0.39 0.34 -2.11 0.98 0.00 0.00 173.24 172.09 1fbr n ARG 46 N 3.57 0.68 -0.02 4.02 1.85 -1.26 -4.45 116.66 121.06 1fbr n ARG 46 Ca 0.07 -0.14 0.02 0.00 -1.00 0.00 0.00 57.85 56.81 1fbr n ARG 46 Cb 0.38 -1.44 0.03 0.00 -1.05 0.00 0.00 32.46 30.39 1fbr n ARG 46 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 1fbr n ASN 47 N -2.23 1.91 -3.35 2.89 3.02 -1.26 0.67 115.26 116.90 1fbr n ASN 47 Ca -0.08 -2.16 -0.26 0.00 -0.03 0.00 0.00 54.58 52.05 1fbr n ASN 47 Cb 0.59 -0.09 -0.08 0.00 -0.61 0.00 0.00 39.78 39.59 1fbr n ASN 47 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1fbr n ARG 48 N -0.65 1.63 -1.53 3.52 5.12 -1.26 -4.03 116.66 119.46 1fbr n ARG 48 Ca 0.03 -4.00 -0.49 0.00 -1.93 0.00 0.00 57.85 51.47 1fbr n ARG 48 Cb 0.35 -1.80 -0.04 0.00 -1.16 0.00 0.00 32.46 29.81 1fbr n ARG 48 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 1fbr s ASN 50 N -0.38 1.40 -0.17 0.00 4.22 -1.26 -0.60 114.94 118.15 1fbr s ASN 50 Ca 0.69 -0.16 -0.07 0.00 -2.14 0.00 0.00 52.86 51.19 1fbr s ASN 50 Cb -0.88 -0.55 -0.04 0.00 1.28 0.00 0.00 41.25 41.07 1fbr s ASN 50 CO 0.55 -0.09 0.05 -0.62 -2.04 0.00 0.00 177.10 174.95 1fbr s ASP 51 N 1.31 5.57 0.00 3.54 2.15 -1.24 -4.96 116.67 123.04 1fbr s ASP 51 Ca -0.04 0.08 0.16 0.00 0.43 0.00 0.00 52.55 53.18 1fbr s ASP 51 Cb -0.14 -1.93 0.54 0.00 -0.30 0.00 0.00 42.92 41.10 1fbr s ASP 51 CO -0.02 0.19 1.42 0.00 -0.17 0.00 0.00 175.17 176.58 1fbr n GLN 52 N 3.41 1.82 -0.03 4.34 6.02 -1.26 -2.77 117.38 128.90 1fbr n GLN 52 Ca -0.17 -1.25 -0.10 0.00 -0.01 0.00 0.00 57.00 55.47 1fbr n GLN 52 Cb 0.52 -1.35 -0.14 0.00 1.02 0.00 0.00 30.24 30.29 1fbr n GLN 52 CO 0.00 0.00 0.00 -0.25 -1.01 0.00 0.00 177.06 175.80 1fbr n ASP 53 N 0.48 0.89 -0.22 1.08 9.92 -1.26 -4.25 116.55 123.20 1fbr n ASP 53 Ca 0.15 0.32 0.05 0.00 -0.53 0.00 0.00 54.79 54.78 1fbr n ASP 53 Cb 0.33 0.01 -0.00 0.00 -0.64 0.00 0.00 41.12 40.82 1fbr n ASP 53 CO 0.00 0.00 0.00 0.35 0.13 0.00 0.00 177.20 177.68 1fbr n THR 54 N -3.05 0.00 -3.33 -3.53 -2.24 -1.25 -5.02 114.28 95.87 1fbr n THR 54 Ca -0.21 -0.39 -0.18 0.00 -2.27 0.00 0.00 64.05 61.00 1fbr n THR 54 Cb 1.07 1.11 0.06 0.00 -2.10 0.00 0.00 70.33 70.47 1fbr n THR 54 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1fbr n ARG 55 N -0.30 -2.02 -3.59 -0.78 1.74 -1.12 -5.01 116.66 105.58 1fbr n ARG 55 Ca 0.04 0.81 -0.00 0.00 -0.77 0.00 0.00 57.85 57.93 1fbr n ARG 55 Cb 0.21 -5.49 -0.04 0.00 -1.02 0.00 0.00 32.46 26.12 1fbr n ARG 55 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 1fbr s THR 56 N -3.39 -0.88 -0.22 0.55 -1.32 -1.22 -4.86 115.64 104.31 1fbr s THR 56 Ca 0.45 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.64 1fbr s THR 56 Cb -0.08 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.91 1fbr s THR 56 CO 0.76 0.00 1.12 -0.55 -2.21 0.00 0.00 174.62 173.74 1fbr s SER 57 N 2.79 7.03 0.76 8.08 0.15 -1.26 -3.64 113.70 127.61 1fbr s SER 57 Ca -0.05 1.45 -0.03 0.00 0.70 0.00 0.00 55.95 58.02 1fbr s SER 57 Cb -0.11 -2.54 0.05 0.00 -1.71 0.00 0.00 66.02 61.72 1fbr s SER 57 CO -0.19 -0.72 0.33 -1.22 1.20 0.00 0.00 173.24 172.64 1fbr n TYR 58 N 6.48 -3.65 -3.43 3.44 4.01 0.23 -4.98 117.16 119.25 1fbr n TYR 58 Ca 0.13 -0.41 0.00 0.00 -0.16 0.00 0.00 57.90 57.46 1fbr n TYR 58 Cb 0.46 -0.25 0.00 0.00 -0.31 0.00 0.00 39.34 39.24 1fbr n TYR 58 CO 0.00 0.00 0.00 -2.13 -0.46 0.00 0.00 176.86 174.27 1fbr n ARG 59 N -1.66 2.38 -2.92 -0.72 0.63 -1.26 -3.94 116.66 109.16 1fbr n ARG 59 Ca 0.05 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.57 1fbr n ARG 59 Cb 0.16 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 33.03 1fbr n ARG 59 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1fbr s ILE 60 N -0.24 4.82 0.00 5.15 -1.09 -1.26 -3.37 121.20 125.21 1fbr s ILE 60 Ca 0.00 1.71 0.00 0.00 -2.23 0.00 0.00 60.65 60.13 1fbr s ILE 60 Cb 0.00 -4.16 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1fbr s ILE 60 CO 0.00 0.29 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 1fbr n GLY 61 N 2.66 0.59 2.88 6.18 0.00 -0.80 -5.03 105.19 111.66 1fbr n GLY 61 Ca -0.00 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.84 1fbr n GLY 61 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1fbr n ASP 62 N 0.00 0.80 -3.60 1.61 8.00 -1.22 -4.91 116.55 117.23 1fbr n ASP 62 Ca 0.00 -1.74 -0.15 0.00 0.71 0.00 0.00 54.79 53.62 1fbr n ASP 62 Cb 0.00 -0.54 -0.07 0.00 -0.02 0.00 0.00 41.12 40.49 1fbr n ASP 62 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1fbr s THR 63 N -2.44 0.00 -0.24 -3.53 -4.23 -1.26 -2.52 115.64 101.41 1fbr s THR 63 Ca 0.51 0.00 -0.18 0.00 -1.18 0.00 0.00 61.69 60.84 1fbr s THR 63 Cb -0.02 -1.00 0.07 0.00 1.34 0.00 0.00 72.50 72.88 1fbr s THR 63 CO 0.34 0.00 0.62 -1.66 -0.54 0.00 0.00 174.62 173.38 1fbr s TRP 64 N -0.01 -0.81 0.31 3.99 -2.14 -0.87 -4.99 118.94 114.42 1fbr s TRP 64 Ca -0.02 1.78 -0.28 0.00 2.66 0.00 0.00 56.10 60.24 1fbr s TRP 64 Cb -0.04 0.38 -0.09 0.00 -3.10 0.00 0.00 33.47 30.62 1fbr s TRP 64 CO 0.03 -0.40 1.09 -1.12 -2.66 0.00 0.00 176.95 173.89 1fbr s SER 65 N 0.94 7.12 -0.26 -2.66 0.01 -1.26 -1.98 113.70 115.61 1fbr s SER 65 Ca -0.05 2.22 -0.02 0.00 1.31 0.00 0.00 55.95 59.41 1fbr s SER 65 Cb -0.05 -2.62 0.14 0.00 0.21 0.00 0.00 66.02 63.71 1fbr s SER 65 CO -0.08 -0.25 0.42 -0.75 0.41 0.00 0.00 173.24 172.99 1fbr s LYS 66 N -1.73 0.39 1.19 12.44 2.20 -0.49 -4.87 119.74 128.87 1fbr s LYS 66 Ca 0.48 0.63 -0.20 0.00 -0.36 0.00 0.00 55.97 56.52 1fbr s LYS 66 Cb -0.30 -0.27 0.31 0.00 -1.51 0.00 0.00 37.83 36.06 1fbr s LYS 66 CO 0.38 -0.64 0.81 0.36 -0.36 0.00 0.00 175.35 175.90 1fbr n LYS 67 N 5.38 -3.93 0.00 4.03 0.00 -1.26 -1.28 118.16 121.10 1fbr n LYS 67 Ca -0.03 -1.33 0.00 0.00 -0.00 0.00 0.00 58.31 56.95 1fbr n LYS 67 Cb 0.50 -1.55 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 1fbr n LYS 67 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1fbr n ASP 68 N -5.15 0.00 -0.01 -5.58 5.68 -1.26 -4.66 116.55 105.56 1fbr n ASP 68 Ca 0.12 0.00 0.00 0.00 -0.50 0.00 0.00 54.79 54.41 1fbr n ASP 68 Cb 0.51 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.49 1fbr n ASP 68 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 1fbr n ASN 69 N 0.00 0.00 -0.03 -1.12 5.15 -1.26 -4.84 115.26 113.16 1fbr n ASN 69 Ca 0.00 -1.02 -0.03 0.00 -0.60 0.00 0.00 54.58 52.93 1fbr n ASN 69 Cb 0.00 -0.00 -0.05 0.00 -0.53 0.00 0.00 39.78 39.19 1fbr n ASN 69 CO 0.00 0.00 0.00 -1.14 1.40 0.00 0.00 177.26 177.52 1fbr n ARG 70 N 0.00 2.86 0.00 1.20 0.63 -1.26 -5.01 116.66 115.08 1fbr n ARG 70 Ca 0.00 -0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.93 1fbr n ARG 70 Cb 0.50 -1.17 0.00 0.00 0.45 0.00 0.00 32.46 32.24 1fbr n ARG 70 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1fbr n GLY 71 N 2.58 0.25 0.00 5.14 0.00 -1.26 -5.13 105.19 106.77 1fbr n GLY 71 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1fbr n GLY 71 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fbr n ASN 72 N 0.00 0.00 -3.24 1.61 2.85 -1.26 -4.93 115.26 110.29 1fbr n ASN 72 Ca 0.00 0.00 -0.03 0.00 -0.11 0.00 0.00 54.58 54.44 1fbr n ASN 72 Cb 0.00 0.00 -0.03 0.00 1.24 0.00 0.00 39.78 40.99 1fbr n ASN 72 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 1fbr s LEU 73 N 0.00 -1.16 -0.60 1.20 2.96 -1.26 -4.18 118.68 115.64 1fbr s LEU 73 Ca 0.00 -0.55 -0.27 0.00 -0.22 0.00 0.00 54.13 53.09 1fbr s LEU 73 Cb 0.00 1.57 0.03 0.00 0.50 0.00 0.00 46.19 48.30 1fbr s LEU 73 CO 0.00 -0.26 1.13 -0.76 -1.32 0.00 0.00 176.35 175.14 1fbr s LEU 74 N 2.21 3.61 -0.93 -0.68 1.02 -0.40 -2.63 118.68 120.87 1fbr s LEU 74 Ca 0.13 -0.12 -0.25 0.00 0.02 0.00 0.00 54.13 53.91 1fbr s LEU 74 Cb -0.09 -2.97 -0.09 0.00 0.02 0.00 0.00 46.19 43.06 1fbr s LEU 74 CO -0.17 -1.47 2.07 -1.58 0.02 0.00 0.00 176.35 175.23 1fbr s GLN 75 N 4.78 2.20 0.79 1.70 0.74 -0.02 -1.39 119.66 128.46 1fbr s GLN 75 Ca 0.38 -0.24 -0.12 0.00 0.05 0.00 0.00 55.36 55.43 1fbr s GLN 75 Cb -0.09 -5.02 0.07 0.00 1.10 0.00 0.00 33.01 29.07 1fbr s GLN 75 CO 0.22 -3.91 1.16 0.00 -0.55 0.00 0.00 175.29 172.21 1fbr s ILE 77 N -3.50 0.00 -1.36 0.00 2.07 -0.96 -2.05 121.20 115.38 1fbr s ILE 77 Ca 0.61 -0.00 -0.15 0.00 -1.41 0.00 0.00 60.65 59.70 1fbr s ILE 77 Cb -0.11 -0.82 0.07 0.00 0.13 0.00 0.00 42.46 41.73 1fbr s ILE 77 CO 0.50 -0.00 1.95 0.00 -1.91 0.00 0.00 174.94 175.48 1fbr h THR 79 N 4.62 0.84 -5.39 0.00 1.03 -1.86 -2.14 112.91 110.01 1fbr h THR 79 Ca 0.49 -0.09 0.00 0.00 -0.01 0.00 0.00 66.41 66.80 1fbr h THR 79 Cb 0.74 0.55 -0.06 0.00 -1.07 0.00 0.00 68.15 68.31 1fbr h THR 79 CO 1.65 0.05 -1.10 0.61 -0.01 0.00 0.00 175.52 176.72 1fbr n GLY 80 N -1.55 -3.55 2.50 2.99 0.00 -1.26 -4.69 105.19 99.63 1fbr n GLY 80 Ca 0.10 0.95 -0.12 0.00 0.00 0.00 0.00 46.02 46.95 1fbr n GLY 80 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1fbr n ASN 81 N 1.54 0.98 0.00 1.61 2.85 -1.26 -4.84 115.26 116.13 1fbr n ASN 81 Ca -0.19 -2.83 0.00 0.00 -0.11 0.00 0.00 54.58 51.45 1fbr n ASN 81 Cb 0.35 -0.42 0.00 0.00 1.24 0.00 0.00 39.78 40.95 1fbr n ASN 81 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1fbr n GLY 82 N 0.04 2.68 0.88 8.20 0.00 -1.26 -4.77 105.19 110.96 1fbr n GLY 82 Ca 0.14 -0.92 -0.01 0.00 0.00 0.00 0.00 46.02 45.22 1fbr n GLY 82 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1fbr n ARG 83 N 0.00 0.00 -2.49 1.61 1.74 -1.26 -4.95 116.66 111.31 1fbr n ARG 83 Ca 0.00 -0.95 -0.02 0.00 -0.77 0.00 0.00 57.85 56.12 1fbr n ARG 83 Cb 0.00 0.07 0.00 0.00 -1.02 0.00 0.00 32.46 31.51 1fbr n ARG 83 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1fbr n GLY 84 N 0.11 -0.98 2.30 -0.13 0.00 0.21 -4.51 105.19 102.20 1fbr n GLY 84 Ca -0.08 0.42 -0.22 0.00 0.00 0.00 0.00 46.02 46.14 1fbr n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1fbr n GLU 85 N -1.17 2.34 -1.54 1.61 1.02 -1.26 -4.82 120.64 116.83 1fbr n GLU 85 Ca 0.02 -1.87 -0.38 0.00 -0.02 0.00 0.00 57.16 54.91 1fbr n GLU 85 Cb 0.44 -2.12 -0.05 0.00 -0.02 0.00 0.00 31.44 29.69 1fbr n GLU 85 CO 0.00 0.00 0.00 1.87 1.18 0.00 0.00 177.13 180.18 1fbr n TRP 86 N 1.56 1.37 -2.34 -0.32 -0.00 -1.26 -4.47 117.44 111.98 1fbr n TRP 86 Ca 0.48 0.14 -0.25 0.00 -0.00 0.00 0.00 57.50 57.87 1fbr n TRP 86 Cb 0.67 -2.60 0.08 0.00 -0.00 0.00 0.00 31.31 29.46 1fbr n TRP 86 CO 0.00 0.00 0.00 0.15 -0.00 0.00 0.00 177.69 177.84 1fbr s LYS 87 N 8.09 2.03 -0.05 5.87 1.02 -1.17 -4.80 119.74 130.73 1fbr s LYS 87 Ca 1.05 -0.54 0.01 0.00 0.02 0.00 0.00 55.97 56.51 1fbr s LYS 87 Cb -0.39 -2.24 0.02 0.00 -0.52 0.00 0.00 37.83 34.71 1fbr s LYS 87 CO 0.32 -1.27 -0.05 0.00 -0.92 0.00 0.00 175.35 173.42 1fbr s GLU 89 N 0.96 2.04 1.06 0.00 2.12 -1.24 -4.89 118.70 118.75 1fbr s GLU 89 Ca -0.10 -1.37 -0.17 0.00 0.36 0.00 0.00 54.97 53.68 1fbr s GLU 89 Cb -0.14 -2.89 0.12 0.00 0.26 0.00 0.00 34.13 31.48 1fbr s GLU 89 CO 0.00 -0.63 0.05 2.89 -0.54 0.00 0.00 175.26 177.03 1fbr n ARG 90 N 4.44 -1.89 -2.29 4.30 1.85 -1.26 -0.84 116.66 120.97 1fbr n ARG 90 Ca -0.11 -0.55 -0.43 0.00 -1.00 0.00 0.00 57.85 55.76 1fbr n ARG 90 Cb 0.42 -1.54 -0.02 0.00 -1.05 0.00 0.00 32.46 30.27 1fbr n ARG 90 CO 0.00 0.00 0.00 -1.01 -0.01 0.00 0.00 177.63 176.61 1fbr s HIS 91 N -2.13 2.34 -1.19 2.89 3.76 -1.08 -4.61 115.29 115.26 1fbr s HIS 91 Ca 0.45 0.68 -0.06 0.00 -0.15 0.00 0.00 55.06 55.99 1fbr s HIS 91 Cb -0.07 -4.19 0.22 0.00 1.11 0.00 0.00 32.58 29.65 1fbr s HIS 91 CO 0.50 -2.16 1.85 0.25 -0.85 0.00 0.00 174.74 174.34 1fbr n THR 92 N 6.93 5.09 0.65 1.30 -2.24 -1.26 -5.00 114.28 119.75 1fbr n THR 92 Ca 0.17 -5.08 0.05 0.00 -2.27 0.00 0.00 64.05 56.92 1fbr n THR 92 Cb 0.47 -2.10 0.31 0.00 -2.10 0.00 0.00 70.33 66.91 1fbr n THR 92 CO 0.00 0.00 0.00 -0.24 -0.57 0.00 0.00 175.07 174.26