#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifb n PHE 2 N 0.00 0.35 -1.58 0.00 3.72 -1.26 -5.11 117.46 113.58 3ifb n PHE 2 Ca 0.00 -2.72 -0.46 0.00 -0.05 0.00 0.00 57.45 54.22 3ifb n PHE 2 Cb 0.00 0.00 -0.03 0.00 -0.94 0.00 0.00 39.48 38.52 3ifb n PHE 2 CO 0.00 0.00 0.00 -3.47 -0.05 0.00 0.00 176.76 173.24 3ifb n ASP 3 N -0.11 1.25 -3.21 4.37 -0.08 -1.26 -4.85 116.55 112.66 3ifb n ASP 3 Ca 0.08 1.16 0.04 0.00 -1.51 0.00 0.00 54.79 54.56 3ifb n ASP 3 Cb 0.81 -1.25 -0.04 0.00 2.34 0.00 0.00 41.12 42.98 3ifb n ASP 3 CO 0.00 0.00 0.00 -0.44 0.12 0.00 0.00 177.20 176.88 3ifb s SER 4 N -0.32 -0.18 -0.42 1.67 0.01 -0.48 -4.99 113.70 108.99 3ifb s SER 4 Ca 0.65 0.22 -0.28 0.00 1.31 0.00 0.00 55.95 57.85 3ifb s SER 4 Cb -0.77 1.19 -0.01 0.00 0.21 0.00 0.00 66.02 66.65 3ifb s SER 4 CO 0.56 -0.03 1.66 -0.89 0.41 0.00 0.00 173.24 174.95 3ifb s THR 5 N 2.30 3.61 0.69 1.44 2.01 -1.26 -1.97 115.64 122.45 3ifb s THR 5 Ca -0.01 0.59 -0.02 0.00 0.31 0.00 0.00 61.69 62.55 3ifb s THR 5 Cb -0.03 -3.92 0.10 0.00 0.01 0.00 0.00 72.50 68.65 3ifb s THR 5 CO -0.15 -0.66 0.96 0.26 -0.69 0.00 0.00 174.62 174.35 3ifb s TRP 6 N 6.71 2.12 -0.07 4.92 0.52 0.21 -0.10 118.94 133.24 3ifb s TRP 6 Ca 0.70 -0.06 -0.16 0.00 0.02 0.00 0.00 56.10 56.60 3ifb s TRP 6 Cb -0.17 -3.04 0.03 0.00 -1.15 0.00 0.00 33.47 29.14 3ifb s TRP 6 CO 0.31 -1.51 0.38 -1.59 0.02 0.00 0.00 176.95 174.55 3ifb s LYS 7 N -5.11 0.62 0.36 4.98 0.00 0.26 -2.45 119.74 118.39 3ifb s LYS 7 Ca 0.64 0.16 -0.26 0.00 0.00 0.00 0.00 55.97 56.50 3ifb s LYS 7 Cb -0.07 0.29 -0.12 0.00 0.00 0.00 0.00 37.83 37.92 3ifb s LYS 7 CO 0.43 -0.14 1.05 1.55 0.00 0.00 0.00 175.35 178.24 3ifb n VAL 8 N 1.91 2.17 0.02 1.79 3.14 -0.82 -1.56 118.33 124.99 3ifb n VAL 8 Ca -0.18 -0.50 -0.00 0.00 -2.96 0.00 0.00 64.34 60.70 3ifb n VAL 8 Cb 0.57 -1.16 -0.00 0.00 -1.06 0.00 0.00 33.84 32.18 3ifb n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 3ifb n ASP 9 N 0.84 0.52 -3.80 6.55 2.03 0.13 -4.76 116.55 118.07 3ifb n ASP 9 Ca 0.09 0.07 -0.15 0.00 0.52 0.00 0.00 54.79 55.31 3ifb n ASP 9 Cb 0.36 -0.18 -0.09 0.00 -0.72 0.00 0.00 41.12 40.49 3ifb n ASP 9 CO 0.00 0.00 0.00 -0.13 -1.92 0.00 0.00 177.20 175.15 3ifb s ARG 10 N -1.47 1.48 0.16 -0.67 1.81 -1.01 -4.94 118.95 114.30 3ifb s ARG 10 Ca -0.01 -1.77 -0.23 0.00 -1.72 0.00 0.00 55.73 52.00 3ifb s ARG 10 Cb 0.00 0.31 0.08 0.00 -0.45 0.00 0.00 34.95 34.89 3ifb s ARG 10 CO 0.01 -0.53 1.07 -1.12 -0.68 0.00 0.00 175.30 174.06 3ifb s SER 11 N -3.24 0.00 0.05 0.23 0.01 -1.26 0.25 113.70 109.74 3ifb s SER 11 Ca 0.38 -0.61 0.03 0.00 1.31 0.00 0.00 55.95 57.07 3ifb s SER 11 Cb 0.04 0.45 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 3ifb s SER 11 CO 0.19 -0.89 -0.10 -1.83 0.41 0.00 0.00 173.24 171.01 3ifb s GLU 12 N -2.15 0.64 -0.91 12.44 -1.05 -0.77 -4.93 118.70 121.97 3ifb s GLU 12 Ca 0.23 -0.82 -0.09 0.00 -0.15 0.00 0.00 54.97 54.14 3ifb s GLU 12 Cb -0.02 -0.51 0.08 0.00 -0.44 0.00 0.00 34.13 33.24 3ifb s GLU 12 CO 0.04 0.10 0.29 -1.71 0.95 0.00 0.00 175.26 174.93 3ifb n ASN 13 N 1.42 -2.11 -0.09 0.83 5.15 -1.26 -3.11 115.26 116.09 3ifb n ASN 13 Ca -0.22 -0.22 -0.15 0.00 -0.60 0.00 0.00 54.58 53.38 3ifb n ASN 13 Cb 0.54 -1.85 -0.14 0.00 -0.53 0.00 0.00 39.78 37.81 3ifb n ASN 13 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3ifb n TYR 14 N -3.35 0.34 0.08 1.20 4.19 -1.26 -1.98 117.16 116.37 3ifb n TYR 14 Ca 0.02 0.09 -0.16 0.00 3.31 0.00 0.00 57.90 61.16 3ifb n TYR 14 Cb 0.50 -1.05 -0.08 0.00 0.49 0.00 0.00 39.34 39.20 3ifb n TYR 14 CO 0.00 0.00 0.00 0.38 0.91 0.00 0.00 176.86 178.15 3ifb h ASP 15 N 0.01 0.60 -0.22 2.98 2.03 -1.99 -0.36 116.42 119.48 3ifb h ASP 15 Ca -0.51 -0.52 0.05 0.00 -0.73 0.00 0.00 57.03 55.32 3ifb h ASP 15 Cb 2.03 -0.19 -0.05 0.00 -0.83 0.00 0.00 39.33 40.29 3ifb h ASP 15 CO -0.01 1.34 -0.13 0.50 -1.03 0.00 0.00 179.24 179.91 3ifb h LYS 16 N 0.22 -0.11 -0.42 4.15 1.63 -1.94 0.13 116.57 120.22 3ifb h LYS 16 Ca -0.11 0.01 0.04 0.00 -0.85 0.00 0.00 60.65 59.74 3ifb h LYS 16 Cb 1.71 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 33.33 3ifb h LYS 16 CO 0.19 -0.07 0.19 0.35 -3.45 0.00 0.00 179.45 176.65 3ifb h PHE 17 N -0.11 0.34 0.07 1.91 3.57 -1.16 -0.23 116.94 121.32 3ifb h PHE 17 Ca 0.12 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.67 3ifb h PHE 17 Cb 0.30 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.91 3ifb h PHE 17 CO -0.29 0.16 -0.31 0.52 -2.23 0.00 0.00 178.31 176.15 3ifb h MET 18 N 0.38 -0.48 -0.94 1.11 2.86 -0.59 0.12 114.93 117.39 3ifb h MET 18 Ca 0.19 0.03 0.28 0.00 -2.06 0.00 0.00 59.70 58.14 3ifb h MET 18 Cb 0.13 0.11 -0.16 0.00 0.06 0.00 0.00 31.60 31.75 3ifb h MET 18 CO -0.16 -0.32 0.29 1.49 1.06 0.00 0.00 176.91 179.28 3ifb h GLU 19 N -0.50 0.16 0.00 1.72 4.81 0.35 0.18 114.58 121.30 3ifb h GLU 19 Ca 0.04 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.26 3ifb h GLU 19 Cb 0.55 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.89 3ifb h GLU 19 CO -0.21 0.11 0.00 1.63 -0.73 0.00 0.00 179.01 179.81 3ifb n LYS 20 N -5.25 0.30 0.17 1.92 5.02 0.24 -1.26 118.16 119.30 3ifb n LYS 20 Ca 0.26 0.00 0.13 0.00 -2.02 0.00 0.00 58.31 56.67 3ifb n LYS 20 Cb 0.83 -1.50 0.59 0.00 -0.02 0.00 0.00 35.03 34.93 3ifb n LYS 20 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 3ifb h MET 21 N 0.00 0.00 -5.58 1.97 2.86 0.10 -3.45 114.93 110.83 3ifb h MET 21 Ca 0.00 0.00 -0.29 0.00 -2.06 0.00 0.00 59.70 57.35 3ifb h MET 21 Cb 0.35 0.00 0.18 0.00 0.06 0.00 0.00 31.60 32.19 3ifb h MET 21 CO 0.00 0.00 -0.84 0.41 1.06 0.00 0.00 176.91 177.54 3ifb n GLY 22 N -0.51 -0.90 0.00 8.32 0.00 -0.39 -5.03 105.19 106.68 3ifb n GLY 22 Ca 0.00 0.43 0.00 0.00 0.00 0.00 0.00 46.02 46.45 3ifb n GLY 22 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 3ifb n VAL 23 N -3.58 0.00 -4.00 1.61 3.14 -1.21 -5.10 118.33 109.20 3ifb n VAL 23 Ca -0.14 0.00 -0.09 0.00 -2.96 0.00 0.00 64.34 61.15 3ifb n VAL 23 Cb 0.63 0.00 -0.08 0.00 -1.06 0.00 0.00 33.84 33.33 3ifb n VAL 23 CO 0.00 0.00 0.00 0.21 -6.46 0.00 0.00 176.83 170.58 3ifb s ASN 24 N -1.10 0.16 0.24 6.55 3.84 -1.26 -5.00 114.94 118.38 3ifb s ASN 24 Ca 0.00 -0.92 -0.11 0.00 0.21 0.00 0.00 52.86 52.04 3ifb s ASN 24 Cb 0.00 0.36 0.34 0.00 -0.55 0.00 0.00 41.25 41.40 3ifb s ASN 24 CO 0.00 -0.79 1.59 0.40 -2.79 0.00 0.00 177.10 175.51 3ifb h ILE 25 N 2.72 0.19 0.00 -5.21 1.08 -1.99 0.60 117.51 114.90 3ifb h ILE 25 Ca -0.33 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.14 3ifb h ILE 25 Cb 1.21 0.19 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 3ifb h ILE 25 CO 0.54 0.00 -0.06 1.33 -0.69 0.00 0.00 178.15 179.27 3ifb n VAL 26 N -5.53 0.47 0.19 1.67 0.24 -1.26 -0.79 118.33 113.33 3ifb n VAL 26 Ca 0.12 -0.24 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 3ifb n VAL 26 Cb 0.41 -0.52 -0.08 0.00 -1.47 0.00 0.00 33.84 32.18 3ifb n VAL 26 CO 0.00 0.00 0.00 0.11 -2.14 0.00 0.00 176.83 174.80 3ifb h LYS 27 N 0.00 -0.46 -0.96 7.34 1.79 -1.32 -3.21 116.57 119.75 3ifb h LYS 27 Ca 0.00 0.03 0.08 0.00 -2.18 0.00 0.00 60.65 58.59 3ifb h LYS 27 Cb 0.70 0.10 -0.07 0.00 -1.58 0.00 0.00 32.23 31.38 3ifb h LYS 27 CO 0.00 -0.19 0.62 0.00 -1.08 0.00 0.00 179.45 178.80 3ifb h ARG 28 N -0.69 1.01 0.00 3.15 3.08 -0.05 0.43 114.38 121.31 3ifb h ARG 28 Ca -0.05 -0.06 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 3ifb h ARG 28 Cb 0.48 -0.23 -0.00 0.00 0.08 0.00 0.00 29.97 30.30 3ifb h ARG 28 CO 0.08 0.67 -0.11 1.57 -1.07 0.00 0.00 179.97 181.11 3ifb h LYS 29 N 1.04 0.00 0.12 0.04 -0.00 -1.03 0.14 116.57 116.89 3ifb h LYS 29 Ca 0.43 0.00 -0.24 0.00 -0.00 0.00 0.00 60.65 60.84 3ifb h LYS 29 Cb 0.29 0.00 0.01 0.00 -0.00 0.00 0.00 32.23 32.53 3ifb h LYS 29 CO -0.19 0.11 -1.18 1.25 -0.00 0.00 0.00 179.45 179.44 3ifb h LEU 30 N 0.00 0.40 -0.74 7.07 5.85 -0.82 -3.25 115.31 123.81 3ifb h LEU 30 Ca -0.00 -0.88 0.15 0.00 0.84 0.00 0.00 57.88 57.98 3ifb h LEU 30 Cb 0.42 -0.13 -0.14 0.00 0.37 0.00 0.00 40.66 41.18 3ifb h LEU 30 CO 0.01 1.53 -0.20 0.00 -0.34 0.00 0.00 178.44 179.44 3ifb h ALA 31 N -0.01 0.44 -0.94 1.25 0.00 0.44 0.37 119.26 120.82 3ifb h ALA 31 Ca -0.24 0.28 0.21 0.00 0.00 0.00 0.00 54.91 55.16 3ifb h ALA 31 Cb 1.70 0.60 -0.07 0.00 0.00 0.00 0.00 17.79 20.02 3ifb h ALA 31 CO 0.09 -0.44 0.61 0.00 0.00 0.00 0.00 179.25 179.51 3ifb h ALA 32 N 1.68 2.15 -0.41 0.00 0.00 -0.82 1.09 119.26 122.95 3ifb h ALA 32 Ca 0.35 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 55.17 3ifb h ALA 32 Cb 0.55 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 3ifb h ALA 32 CO -0.77 -0.46 -0.22 0.45 0.00 0.00 0.00 179.25 178.25 3ifb h HIS 33 N 0.45 0.92 0.00 0.00 -0.00 -0.31 -3.38 115.15 112.84 3ifb h HIS 33 Ca 0.50 -0.21 0.00 0.00 -0.00 0.00 0.00 60.37 60.66 3ifb h HIS 33 Cb 1.18 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 28.37 3ifb h HIS 33 CO -0.00 0.95 -0.15 -3.47 -0.00 0.00 0.00 177.93 175.26 3ifb n ASP 34 N -4.11 0.63 0.00 2.45 2.03 -0.16 -5.06 116.55 112.34 3ifb n ASP 34 Ca 0.00 -1.73 0.00 0.00 0.52 0.00 0.00 54.79 53.58 3ifb n ASP 34 Cb 0.44 -0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 3ifb n ASP 34 CO 0.00 0.00 0.00 0.59 -1.92 0.00 0.00 177.20 175.87 3ifb n ASN 35 N -0.26 0.00 -3.11 1.67 3.02 0.36 -4.02 115.26 112.91 3ifb n ASN 35 Ca 0.02 0.00 0.05 0.00 -0.03 0.00 0.00 54.58 54.62 3ifb n ASN 35 Cb 0.53 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.71 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 3ifb s LEU 36 N -0.48 -0.58 0.30 3.41 2.96 -1.26 -3.73 118.68 119.29 3ifb s LEU 36 Ca 0.00 0.03 0.11 0.00 -0.22 0.00 0.00 54.13 54.04 3ifb s LEU 36 Cb 0.00 1.29 -0.05 0.00 0.50 0.00 0.00 46.19 47.92 3ifb s LEU 36 CO 0.00 -0.10 -0.16 -0.75 -1.32 0.00 0.00 176.35 174.02 3ifb s LYS 37 N 2.82 1.70 0.27 1.98 2.20 -0.85 -1.94 119.74 125.93 3ifb s LYS 37 Ca 0.24 -1.81 -0.19 0.00 -0.36 0.00 0.00 55.97 53.85 3ifb s LYS 37 Cb -0.02 -1.69 0.01 0.00 -1.51 0.00 0.00 37.83 34.63 3ifb s LYS 37 CO -0.22 0.25 0.67 -1.17 -0.36 0.00 0.00 175.35 174.52 3ifb s LEU 38 N -3.53 -0.13 -0.00 5.43 0.20 -1.03 0.14 118.68 119.76 3ifb s LEU 38 Ca 0.30 -0.68 0.01 0.00 0.69 0.00 0.00 54.13 54.45 3ifb s LEU 38 Cb -0.02 2.52 -0.00 0.00 -0.43 0.00 0.00 46.19 48.26 3ifb s LEU 38 CO 0.15 -1.30 -0.03 -0.89 -0.29 0.00 0.00 176.35 173.99 3ifb s THR 39 N -3.94 0.23 -0.06 3.68 2.01 0.15 0.65 115.64 118.37 3ifb s THR 39 Ca 0.13 -0.12 0.03 0.00 0.31 0.00 0.00 61.69 62.04 3ifb s THR 39 Cb -0.05 -0.21 -0.03 0.00 0.01 0.00 0.00 72.50 72.23 3ifb s THR 39 CO 0.07 0.07 -0.13 -0.51 -0.69 0.00 0.00 174.62 173.43 3ifb s ILE 40 N -0.03 3.16 -0.44 1.82 1.10 -0.83 -1.89 121.20 124.09 3ifb s ILE 40 Ca 0.01 -0.68 0.05 0.00 -0.51 0.00 0.00 60.65 59.52 3ifb s ILE 40 Cb -0.02 -2.26 0.17 0.00 0.15 0.00 0.00 42.46 40.51 3ifb s ILE 40 CO -0.00 0.59 0.51 -0.89 -2.11 0.00 0.00 174.94 173.03 3ifb s THR 41 N -0.65 -0.43 0.67 4.00 2.01 -0.40 -1.38 115.64 119.46 3ifb s THR 41 Ca 0.10 -1.39 -0.11 0.00 0.31 0.00 0.00 61.69 60.60 3ifb s THR 41 Cb -0.11 -0.55 -0.01 0.00 0.01 0.00 0.00 72.50 71.85 3ifb s THR 41 CO 0.01 -0.52 1.06 -1.10 -0.69 0.00 0.00 174.62 173.38 3ifb s GLN 42 N 0.87 3.13 0.00 4.92 -0.21 -1.26 -2.09 119.66 125.03 3ifb s GLN 42 Ca 0.26 0.55 0.00 0.00 0.02 0.00 0.00 55.36 56.19 3ifb s GLN 42 Cb -0.04 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.92 3ifb s GLN 42 CO -0.09 -0.85 0.00 -0.85 -2.12 0.00 0.00 175.29 171.38 3ifb n GLU 43 N -2.89 0.00 -1.51 2.91 0.28 -0.43 -4.90 120.64 114.09 3ifb n GLU 43 Ca 0.06 0.00 -0.28 0.00 -0.16 0.00 0.00 57.16 56.79 3ifb n GLU 43 Cb 0.56 0.00 -0.18 0.00 1.43 0.00 0.00 31.44 33.25 3ifb n GLU 43 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ifb n GLY 44 N 0.00 -0.42 2.46 -1.84 0.00 -1.26 -1.41 105.19 102.72 3ifb n GLY 44 Ca 0.00 0.42 -0.10 0.00 0.00 0.00 0.00 46.02 46.34 3ifb n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ifb n ASN 45 N 9.06 -3.34 -4.26 1.61 5.15 -1.26 -4.92 115.26 117.29 3ifb n ASN 45 Ca 0.63 0.25 -0.18 0.00 -0.60 0.00 0.00 54.58 54.68 3ifb n ASN 45 Cb 0.16 -2.87 -0.11 0.00 -0.53 0.00 0.00 39.78 36.43 3ifb n ASN 45 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 3ifb s LYS 46 N -5.03 1.09 -0.47 1.20 2.20 -0.50 -4.21 119.74 114.02 3ifb s LYS 46 Ca 0.00 -1.33 0.03 0.00 -0.36 0.00 0.00 55.97 54.31 3ifb s LYS 46 Cb -0.00 -0.94 0.15 0.00 -1.51 0.00 0.00 37.83 35.53 3ifb s LYS 46 CO 0.00 0.17 0.29 -0.06 -0.36 0.00 0.00 175.35 175.40 3ifb s PHE 47 N -2.40 1.97 -0.19 4.03 0.40 0.39 -1.32 117.98 120.86 3ifb s PHE 47 Ca 0.12 -2.48 -0.29 0.00 -0.60 0.00 0.00 56.93 53.68 3ifb s PHE 47 Cb -0.03 -1.77 -0.00 0.00 0.51 0.00 0.00 43.02 41.72 3ifb s PHE 47 CO 0.04 -0.76 1.11 0.99 0.70 0.00 0.00 175.22 177.29 3ifb s THR 48 N 0.09 4.56 0.18 0.64 2.01 -0.89 -2.20 115.64 120.03 3ifb s THR 48 Ca 0.21 1.88 0.09 0.00 0.31 0.00 0.00 61.69 64.18 3ifb s THR 48 Cb -0.16 -4.21 -0.04 0.00 0.01 0.00 0.00 72.50 68.09 3ifb s THR 48 CO -0.06 -0.15 -0.14 0.68 -0.69 0.00 0.00 174.62 174.27 3ifb s VAL 49 N 3.14 2.95 0.01 3.82 -7.23 0.39 -1.28 120.40 122.22 3ifb s VAL 49 Ca 0.48 -1.74 0.03 0.00 -1.81 0.00 0.00 61.98 58.94 3ifb s VAL 49 Cb -0.18 -2.44 -0.01 0.00 0.56 0.00 0.00 36.38 34.31 3ifb s VAL 49 CO 0.10 -0.09 -0.10 -0.75 -0.31 0.00 0.00 175.10 173.94 3ifb s LYS 50 N -2.73 0.76 0.19 4.82 2.20 -0.79 -1.35 119.74 122.84 3ifb s LYS 50 Ca 0.23 -0.50 0.09 0.00 -0.36 0.00 0.00 55.97 55.43 3ifb s LYS 50 Cb -0.09 -0.72 -0.04 0.00 -1.51 0.00 0.00 37.83 35.47 3ifb s LYS 50 CO 0.13 0.19 -0.17 -2.00 -0.36 0.00 0.00 175.35 173.14 3ifb s GLU 51 N -0.63 1.32 -0.40 4.03 2.12 -0.34 0.34 118.70 125.14 3ifb s GLU 51 Ca 0.01 -1.49 0.09 0.00 0.36 0.00 0.00 54.97 53.93 3ifb s GLU 51 Cb -0.05 -1.30 0.27 0.00 0.26 0.00 0.00 34.13 33.30 3ifb s GLU 51 CO 0.00 0.25 0.62 0.45 -0.54 0.00 0.00 175.26 176.04 3ifb n SER 52 N 0.01 -0.09 -4.81 -1.70 2.88 0.37 -0.49 113.62 109.78 3ifb n SER 52 Ca -0.11 -2.85 -0.34 0.00 -1.33 0.00 0.00 58.87 54.24 3ifb n SER 52 Cb 0.58 -0.30 -0.06 0.00 -0.75 0.00 0.00 64.21 63.69 3ifb n SER 52 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 3ifb s SER 53 N -1.48 6.78 0.53 -3.46 0.15 -1.23 -2.00 113.70 112.98 3ifb s SER 53 Ca 0.35 1.81 0.34 0.00 0.70 0.00 0.00 55.95 59.16 3ifb s SER 53 Cb 0.22 -2.55 1.51 0.00 -1.71 0.00 0.00 66.02 63.48 3ifb s SER 53 CO -0.12 -0.47 1.82 0.00 1.20 0.00 0.00 173.24 175.67 3ifb h ALA 54 N 1.99 3.01 0.72 5.45 0.00 -1.70 -1.92 119.26 126.82 3ifb h ALA 54 Ca -0.49 -0.03 -0.04 0.00 0.00 0.00 0.00 54.91 54.35 3ifb h ALA 54 Cb 1.20 0.08 0.01 0.00 0.00 0.00 0.00 17.79 19.07 3ifb h ALA 54 CO 0.61 -1.33 -0.35 0.74 0.00 0.00 0.00 179.25 178.92 3ifb h PHE 55 N 0.02 -0.90 -1.42 0.00 0.04 -1.90 -3.47 116.94 109.32 3ifb h PHE 55 Ca 0.53 -0.02 0.14 0.00 2.80 0.00 0.00 57.97 61.43 3ifb h PHE 55 Cb 2.09 0.30 -0.24 0.00 2.20 0.00 0.00 35.95 40.30 3ifb h PHE 55 CO -0.00 -0.54 0.69 0.50 -0.60 0.00 0.00 178.31 178.36 3ifb s ARG 56 N -5.77 0.41 0.31 1.51 6.06 -0.72 -4.75 118.95 116.00 3ifb s ARG 56 Ca -0.17 0.08 -0.29 0.00 -2.50 0.00 0.00 55.73 52.84 3ifb s ARG 56 Cb 0.03 0.19 -0.10 0.00 0.06 0.00 0.00 34.95 35.13 3ifb s ARG 56 CO 0.59 -0.13 1.33 0.54 -2.50 0.00 0.00 175.30 175.12 3ifb s ASN 57 N -1.18 6.75 -0.47 -2.12 4.22 -1.26 -3.57 114.94 117.32 3ifb s ASN 57 Ca 0.02 2.68 0.02 0.00 -2.14 0.00 0.00 52.86 53.44 3ifb s ASN 57 Cb -0.01 -2.64 0.12 0.00 1.28 0.00 0.00 41.25 40.00 3ifb s ASN 57 CO -0.02 -0.57 0.23 -0.63 -2.04 0.00 0.00 177.10 174.07 3ifb s ILE 58 N -0.90 2.79 -0.08 0.54 1.01 0.35 -4.90 121.20 120.01 3ifb s ILE 58 Ca 0.51 -2.82 -0.30 0.00 0.00 0.00 0.00 60.65 58.04 3ifb s ILE 58 Cb -0.40 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.09 3ifb s ILE 58 CO 0.51 -0.74 1.45 -0.70 0.00 0.00 0.00 174.94 175.45 3ifb s GLU 59 N 0.27 4.23 0.04 2.79 -6.30 -1.26 -1.20 118.70 117.27 3ifb s GLU 59 Ca 0.14 1.94 0.00 0.00 -2.50 0.00 0.00 54.97 54.56 3ifb s GLU 59 Cb -0.23 -3.79 -0.03 0.00 0.00 0.00 0.00 34.13 30.08 3ifb s GLU 59 CO -0.03 -0.72 -0.04 0.08 0.02 0.00 0.00 175.26 174.56 3ifb s VAL 60 N 3.39 0.27 0.02 3.70 1.01 -0.46 -4.98 120.40 123.36 3ifb s VAL 60 Ca 0.64 -1.22 -0.06 0.00 0.00 0.00 0.00 61.98 61.34 3ifb s VAL 60 Cb -0.29 -0.72 -0.00 0.00 0.00 0.00 0.00 36.38 35.37 3ifb s VAL 60 CO 0.23 -0.61 0.12 0.54 0.00 0.00 0.00 175.10 175.38 3ifb s VAL 61 N -2.14 0.11 0.11 2.92 0.11 -1.26 -0.46 120.40 119.78 3ifb s VAL 61 Ca -0.08 -0.91 -0.15 0.00 -2.93 0.00 0.00 61.98 57.92 3ifb s VAL 61 Cb -0.05 -0.68 0.03 0.00 -1.53 0.00 0.00 36.38 34.14 3ifb s VAL 61 CO -0.03 -0.50 0.35 0.72 -3.33 0.00 0.00 175.10 172.32 3ifb s PHE 62 N -2.07 -0.13 -0.58 1.54 -0.12 -0.93 -4.95 117.98 110.73 3ifb s PHE 62 Ca -0.09 -0.18 0.05 0.00 -0.05 0.00 0.00 56.93 56.66 3ifb s PHE 62 Cb -0.04 0.18 0.20 0.00 -0.63 0.00 0.00 43.02 42.73 3ifb s PHE 62 CO -0.02 -0.65 0.52 -1.91 -0.05 0.00 0.00 175.22 173.11 3ifb n GLU 63 N -0.09 1.48 -2.53 1.99 2.13 -1.26 -0.46 120.64 121.89 3ifb n GLU 63 Ca -0.16 -4.07 -0.01 0.00 0.66 0.00 0.00 57.16 53.58 3ifb n GLU 63 Cb 0.63 -2.00 -0.01 0.00 0.27 0.00 0.00 31.44 30.33 3ifb n GLU 63 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 3ifb n LEU 64 N 1.83 -6.93 -1.86 4.31 7.94 -1.26 -4.61 117.00 116.42 3ifb n LEU 64 Ca 0.25 1.36 -0.03 0.00 -1.11 0.00 0.00 56.01 56.47 3ifb n LEU 64 Cb 0.42 -3.02 0.02 0.00 0.53 0.00 0.00 43.42 41.37 3ifb n LEU 64 CO 0.25 -2.89 0.01 0.61 -1.11 0.00 0.00 177.39 174.25 3ifb n GLY 65 N 0.74 0.46 3.04 -3.96 0.00 -1.01 -5.00 105.19 99.46 3ifb n GLY 65 Ca -0.06 -0.11 -0.08 0.00 0.00 0.00 0.00 46.02 45.77 3ifb n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 66 N -3.08 0.16 0.76 1.61 1.01 -1.00 -4.98 120.40 114.87 3ifb s VAL 66 Ca 0.09 -1.29 -0.12 0.00 0.00 0.00 0.00 61.98 60.67 3ifb s VAL 66 Cb -0.01 -0.84 0.05 0.00 0.00 0.00 0.00 36.38 35.58 3ifb s VAL 66 CO 0.16 -0.71 1.11 -0.89 0.00 0.00 0.00 175.10 174.77 3ifb s THR 67 N -2.58 3.02 0.14 3.92 2.01 -1.26 -2.46 115.64 118.43 3ifb s THR 67 Ca -0.06 0.38 0.06 0.00 0.31 0.00 0.00 61.69 62.38 3ifb s THR 67 Cb -0.02 -2.81 -0.04 0.00 0.01 0.00 0.00 72.50 69.64 3ifb s THR 67 CO -0.05 -0.38 -0.13 0.12 -0.69 0.00 0.00 174.62 173.48 3ifb s PHE 68 N -2.64 1.42 -0.30 4.92 5.36 0.16 -4.84 117.98 122.06 3ifb s PHE 68 Ca 0.65 -0.61 -0.09 0.00 -0.96 0.00 0.00 56.93 55.92 3ifb s PHE 68 Cb -0.20 -0.72 0.14 0.00 -0.34 0.00 0.00 43.02 41.89 3ifb s PHE 68 CO 0.52 0.17 0.66 -0.80 -1.46 0.00 0.00 175.22 174.30 3ifb s ASN 69 N -2.77 -1.15 0.18 6.13 -0.87 -1.26 -1.45 114.94 113.75 3ifb s ASN 69 Ca 0.13 1.49 -0.19 0.00 -1.57 0.00 0.00 52.86 52.72 3ifb s ASN 69 Cb -0.02 2.27 0.04 0.00 -0.02 0.00 0.00 41.25 43.52 3ifb s ASN 69 CO 0.03 -0.22 0.53 -0.72 -2.57 0.00 0.00 177.10 174.15 3ifb s TYR 70 N 2.88 -0.24 0.07 2.20 -0.85 -0.82 -5.02 117.35 115.57 3ifb s TYR 70 Ca -0.03 -0.08 0.08 0.00 -0.52 0.00 0.00 57.07 56.51 3ifb s TYR 70 Cb -0.12 0.43 -0.04 0.00 0.38 0.00 0.00 41.96 42.61 3ifb s TYR 70 CO -0.19 -0.89 -0.18 -0.80 -1.52 0.00 0.00 175.55 171.98 3ifb s ASN 71 N -2.84 3.86 0.66 -0.18 -0.87 -1.26 -2.28 114.94 112.03 3ifb s ASN 71 Ca 0.06 -0.47 0.03 0.00 -1.57 0.00 0.00 52.86 50.92 3ifb s ASN 71 Cb -0.01 -0.60 0.11 0.00 -0.02 0.00 0.00 41.25 40.73 3ifb s ASN 71 CO -0.06 0.23 0.90 -0.22 -2.57 0.00 0.00 177.10 175.38 3ifb s LEU 72 N -1.71 3.05 0.24 0.60 2.96 -0.85 -4.90 118.68 118.06 3ifb s LEU 72 Ca 0.16 -0.55 0.12 0.00 -0.22 0.00 0.00 54.13 53.65 3ifb s LEU 72 Cb -0.11 -1.87 0.11 0.00 0.50 0.00 0.00 46.19 44.82 3ifb s LEU 72 CO 0.07 -1.63 1.46 0.00 -1.32 0.00 0.00 176.35 174.93 3ifb h ALA 73 N -0.23 0.65 -0.91 5.97 0.00 -1.91 -2.85 119.26 119.97 3ifb h ALA 73 Ca -0.34 -0.60 0.08 0.00 0.00 0.00 0.00 54.91 54.04 3ifb h ALA 73 Cb 1.28 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.89 3ifb h ALA 73 CO 0.41 0.83 0.57 -0.44 0.00 0.00 0.00 179.25 180.61 3ifb h ASP 74 N 0.00 0.88 0.00 0.00 3.32 -1.95 -3.46 116.42 115.21 3ifb h ASP 74 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.07 3ifb h ASP 74 Cb 1.40 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.79 3ifb h ASP 74 CO 0.09 0.54 0.00 0.61 -1.72 0.00 0.00 179.24 178.76 3ifb n GLY 75 N -1.34 0.73 3.36 2.75 0.00 -1.08 -5.16 105.19 104.45 3ifb n GLY 75 Ca 0.14 -0.68 -0.10 0.00 0.00 0.00 0.00 46.02 45.37 3ifb n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3ifb s THR 76 N -0.64 0.01 -0.06 2.61 2.01 -1.25 -4.93 115.64 113.38 3ifb s THR 76 Ca 0.00 -1.71 -0.02 0.00 0.31 0.00 0.00 61.69 60.27 3ifb s THR 76 Cb 0.00 -2.29 0.04 0.00 0.01 0.00 0.00 72.50 70.26 3ifb s THR 76 CO 0.00 -0.06 0.13 -1.61 -0.69 0.00 0.00 174.62 172.39 3ifb s GLU 77 N -4.08 0.06 0.07 4.92 2.02 -1.26 -2.01 118.70 118.42 3ifb s GLU 77 Ca 0.30 0.37 0.05 0.00 0.02 0.00 0.00 54.97 55.71 3ifb s GLU 77 Cb 0.04 -0.21 -0.03 0.00 0.10 0.00 0.00 34.13 34.02 3ifb s GLU 77 CO 0.09 -0.19 -0.14 -0.48 0.02 0.00 0.00 175.26 174.56 3ifb s LEU 78 N 1.35 2.28 0.00 1.80 -0.00 -0.97 -2.41 118.68 120.74 3ifb s LEU 78 Ca -0.07 -0.62 0.00 0.00 -0.00 0.00 0.00 54.13 53.44 3ifb s LEU 78 Cb -0.12 -0.51 0.00 0.00 -0.00 0.00 0.00 46.19 45.56 3ifb s LEU 78 CO -0.05 -0.08 0.00 -2.11 -0.00 0.00 0.00 176.35 174.10 3ifb n ARG 79 N 1.26 2.25 -3.43 1.48 1.85 -0.53 -1.95 116.66 117.59 3ifb n ARG 79 Ca -0.21 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.64 3ifb n ARG 79 Cb 0.54 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.95 3ifb n ARG 79 CO 0.00 0.00 0.00 0.41 -0.01 0.00 0.00 177.63 178.03 3ifb n GLY 80 N 5.00 -0.53 3.35 2.89 0.00 -0.53 -1.73 105.19 113.65 3ifb n GLY 80 Ca 0.00 -0.85 -0.14 0.00 0.00 0.00 0.00 46.02 45.03 3ifb n GLY 80 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3ifb s THR 81 N -3.02 0.04 0.17 2.61 -4.23 0.48 0.39 115.64 112.08 3ifb s THR 81 Ca 0.00 -0.33 0.09 0.00 -1.18 0.00 0.00 61.69 60.28 3ifb s THR 81 Cb 0.00 -0.87 -0.04 0.00 1.34 0.00 0.00 72.50 72.93 3ifb s THR 81 CO 0.00 -0.18 -0.20 0.26 -0.54 0.00 0.00 174.62 173.96 3ifb s TRP 82 N -1.84 1.96 -0.17 3.99 0.52 -1.03 -2.15 118.94 120.22 3ifb s TRP 82 Ca -0.09 -0.43 -0.07 0.00 0.02 0.00 0.00 56.10 55.52 3ifb s TRP 82 Cb -0.02 -0.98 0.07 0.00 -1.15 0.00 0.00 33.47 31.39 3ifb s TRP 82 CO 0.02 0.38 0.37 0.45 0.02 0.00 0.00 176.95 178.20 3ifb s SER 83 N -2.64 -0.28 -0.24 2.95 0.15 -0.87 -2.38 113.70 110.39 3ifb s SER 83 Ca 0.17 0.84 -0.20 0.00 0.70 0.00 0.00 55.95 57.46 3ifb s SER 83 Cb -0.07 0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 65.13 3ifb s SER 83 CO 0.08 -0.21 0.63 -0.22 1.20 0.00 0.00 173.24 174.71 3ifb s LEU 84 N 1.92 4.08 -0.04 3.45 0.20 -1.26 -1.45 118.68 125.59 3ifb s LEU 84 Ca -0.05 0.73 -0.26 0.00 0.69 0.00 0.00 54.13 55.24 3ifb s LEU 84 Cb -0.10 -2.86 0.06 0.00 -0.43 0.00 0.00 46.19 42.86 3ifb s LEU 84 CO -0.12 -0.35 0.57 -1.83 -0.29 0.00 0.00 176.35 174.34 3ifb s GLU 85 N 2.36 0.95 -1.52 1.98 -1.05 -0.82 -4.93 118.70 115.68 3ifb s GLU 85 Ca 0.27 0.11 -0.08 0.00 -0.15 0.00 0.00 54.97 55.12 3ifb s GLU 85 Cb -0.16 0.44 0.06 0.00 -0.44 0.00 0.00 34.13 34.04 3ifb s GLU 85 CO 0.09 -0.29 0.61 0.41 0.95 0.00 0.00 175.26 177.03 3ifb n GLY 86 N 0.99 -0.33 2.96 -3.83 0.00 -1.26 -0.71 105.19 103.01 3ifb n GLY 86 Ca -0.20 0.15 -0.18 0.00 0.00 0.00 0.00 46.02 45.79 3ifb n GLY 86 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 87 N -2.86 -3.72 -3.64 1.61 0.23 -1.26 -4.95 115.26 100.67 3ifb n ASN 87 Ca -0.14 -0.12 -0.07 0.00 -0.53 0.00 0.00 54.58 53.71 3ifb n ASN 87 Cb 0.60 -3.12 -0.07 0.00 -2.08 0.00 0.00 39.78 35.12 3ifb n ASN 87 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 3ifb s LYS 88 N -5.58 0.60 0.43 -3.83 -2.85 0.11 -4.85 119.74 103.77 3ifb s LYS 88 Ca 0.23 0.91 -0.24 0.00 -1.00 0.00 0.00 55.97 55.87 3ifb s LYS 88 Cb -0.12 0.18 -0.08 0.00 -2.06 0.00 0.00 37.83 35.76 3ifb s LYS 88 CO 0.28 -0.11 1.15 -0.51 0.10 0.00 0.00 175.35 176.27 3ifb s LEU 89 N 1.09 4.08 -0.09 2.77 1.02 0.26 -1.95 118.68 125.86 3ifb s LEU 89 Ca -0.06 2.29 0.02 0.00 0.02 0.00 0.00 54.13 56.40 3ifb s LEU 89 Cb -0.05 -4.17 0.01 0.00 0.02 0.00 0.00 46.19 42.01 3ifb s LEU 89 CO -0.13 -0.79 -0.14 -0.63 0.02 0.00 0.00 176.35 174.68 3ifb s ILE 90 N -1.52 1.33 0.33 -0.59 1.01 -0.52 -2.41 121.20 118.83 3ifb s ILE 90 Ca 0.61 -0.56 0.03 0.00 0.00 0.00 0.00 60.65 60.73 3ifb s ILE 90 Cb -0.29 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 40.92 3ifb s ILE 90 CO 0.35 0.40 0.12 -0.83 0.00 0.00 0.00 174.94 174.99 3ifb s GLY 91 N 0.91 2.16 0.02 6.18 0.00 -0.96 -2.06 107.32 113.58 3ifb s GLY 91 Ca -0.09 -1.69 -0.22 0.00 0.00 0.00 0.00 44.72 42.72 3ifb s GLY 91 CO 0.00 -1.70 0.50 -1.59 0.00 0.00 0.00 173.10 170.31 3ifb s LYS 92 N -3.83 0.96 0.11 2.90 0.00 -0.91 -2.18 119.74 116.78 3ifb s LYS 92 Ca 0.33 -0.16 0.02 0.00 0.00 0.00 0.00 55.97 56.15 3ifb s LYS 92 Cb 0.05 0.44 -0.04 0.00 0.00 0.00 0.00 37.83 38.28 3ifb s LYS 92 CO 0.16 -0.33 -0.05 -0.06 0.00 0.00 0.00 175.35 175.07 3ifb s PHE 93 N -2.06 0.93 -0.16 1.78 0.40 0.29 -0.39 117.98 118.77 3ifb s PHE 93 Ca -0.08 -0.94 -0.09 0.00 -0.60 0.00 0.00 56.93 55.22 3ifb s PHE 93 Cb -0.01 -0.54 0.06 0.00 0.51 0.00 0.00 43.02 43.03 3ifb s PHE 93 CO 0.01 -0.17 0.40 0.21 0.70 0.00 0.00 175.22 176.37 3ifb s LYS 94 N -3.85 0.39 -0.07 0.44 2.36 -0.70 -0.28 119.74 118.02 3ifb s LYS 94 Ca 0.14 0.74 -0.05 0.00 -2.55 0.00 0.00 55.97 54.25 3ifb s LYS 94 Cb 0.05 -0.00 -0.04 0.00 -1.05 0.00 0.00 37.83 36.80 3ifb s LYS 94 CO -0.03 -0.15 0.14 0.50 1.55 0.00 0.00 175.35 177.36 3ifb s ARG 95 N 1.24 3.37 -0.11 4.03 3.52 0.28 -1.46 118.95 129.81 3ifb s ARG 95 Ca -0.08 -0.25 0.17 0.00 -0.13 0.00 0.00 55.73 55.44 3ifb s ARG 95 Cb -0.08 -3.10 0.25 0.00 -1.56 0.00 0.00 34.95 30.47 3ifb s ARG 95 CO -0.11 0.73 1.13 -2.37 -0.81 0.00 0.00 175.30 173.87 3ifb n THR 96 N 1.57 1.66 -1.72 4.11 5.66 -1.01 -1.23 114.28 123.32 3ifb n THR 96 Ca -0.16 -1.99 -0.22 0.00 -3.05 0.00 0.00 64.05 58.63 3ifb n THR 96 Cb 0.54 -0.14 0.08 0.00 -1.55 0.00 0.00 70.33 69.25 3ifb n THR 96 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3ifb n ASP 97 N -1.26 5.05 0.09 1.09 5.75 -1.26 -4.75 116.55 121.26 3ifb n ASP 97 Ca 0.14 -3.77 0.00 0.00 -0.01 0.00 0.00 54.79 51.15 3ifb n ASP 97 Cb 0.64 -0.57 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 3ifb n ASP 97 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 3ifb n ASN 98 N -0.86 -1.57 -1.33 -1.12 4.13 -1.26 -5.08 115.26 108.17 3ifb n ASN 98 Ca 0.46 0.50 0.00 0.00 1.68 0.00 0.00 54.58 57.22 3ifb n ASN 98 Cb 0.90 1.69 0.00 0.00 -1.54 0.00 0.00 39.78 40.83 3ifb n ASN 98 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 3ifb n GLY 99 N -1.26 0.85 3.46 7.41 0.00 -0.36 -5.08 105.19 110.21 3ifb n GLY 99 Ca 0.00 -0.34 -0.11 0.00 0.00 0.00 0.00 46.02 45.58 3ifb n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifb s ASN 100 N -2.92 -0.40 0.23 1.61 2.20 -1.17 -4.99 114.94 109.49 3ifb s ASN 100 Ca 0.00 -0.22 -0.02 0.00 -0.94 0.00 0.00 52.86 51.68 3ifb s ASN 100 Cb 0.00 0.58 -0.04 0.00 -2.00 0.00 0.00 41.25 39.78 3ifb s ASN 100 CO 0.00 -1.00 0.44 -1.61 -2.94 0.00 0.00 177.10 171.99 3ifb s GLU 101 N -3.80 3.55 -0.30 3.55 2.02 -1.26 -0.56 118.70 121.89 3ifb s GLU 101 Ca 0.04 -0.24 0.02 0.00 0.02 0.00 0.00 54.97 54.81 3ifb s GLU 101 Cb -0.01 -2.78 0.09 0.00 0.10 0.00 0.00 34.13 31.53 3ifb s GLU 101 CO -0.09 0.34 0.01 -1.17 0.02 0.00 0.00 175.26 174.38 3ifb s LEU 102 N -3.40 3.74 0.45 1.80 2.96 0.61 -2.89 118.68 121.94 3ifb s LEU 102 Ca 0.40 -1.77 -0.09 0.00 -0.22 0.00 0.00 54.13 52.45 3ifb s LEU 102 Cb -0.11 -1.41 -0.06 0.00 0.50 0.00 0.00 46.19 45.12 3ifb s LEU 102 CO 0.29 -0.33 0.80 0.20 -1.32 0.00 0.00 176.35 176.00 3ifb s ASN 103 N 1.14 6.44 0.04 3.68 0.02 0.10 0.10 114.94 126.46 3ifb s ASN 103 Ca 0.04 1.12 -0.01 0.00 -1.02 0.00 0.00 52.86 52.99 3ifb s ASN 103 Cb -0.19 -2.32 -0.03 0.00 0.02 0.00 0.00 41.25 38.73 3ifb s ASN 103 CO -0.10 -0.49 -0.03 -0.89 0.02 0.00 0.00 177.10 175.62 3ifb s THR 104 N -2.54 0.19 -0.07 1.60 2.01 -0.93 0.10 115.64 116.00 3ifb s THR 104 Ca 0.51 -1.53 -0.22 0.00 0.31 0.00 0.00 61.69 60.76 3ifb s THR 104 Cb -0.10 -1.14 0.05 0.00 0.01 0.00 0.00 72.50 71.31 3ifb s THR 104 CO 0.37 -0.84 0.50 0.54 -0.69 0.00 0.00 174.62 174.49 3ifb s VAL 105 N -3.18 0.02 -0.11 3.82 0.11 -0.25 -2.25 120.40 118.56 3ifb s VAL 105 Ca 0.00 -0.18 -0.14 0.00 -2.93 0.00 0.00 61.98 58.72 3ifb s VAL 105 Cb 0.03 -0.79 0.04 0.00 -1.53 0.00 0.00 36.38 34.12 3ifb s VAL 105 CO -0.07 -0.10 0.38 0.00 -3.33 0.00 0.00 175.10 171.97 3ifb s ARG 106 N -0.92 0.52 -0.32 1.54 1.70 -1.01 -1.96 118.95 118.50 3ifb s ARG 106 Ca -0.10 0.36 -0.09 0.00 -0.47 0.00 0.00 55.73 55.43 3ifb s ARG 106 Cb -0.03 0.25 0.19 0.00 -0.57 0.00 0.00 34.95 34.78 3ifb s ARG 106 CO 0.06 -0.09 1.02 -2.00 -1.08 0.00 0.00 175.30 173.21 3ifb s GLU 107 N -0.19 0.20 0.10 3.89 2.12 -1.03 -0.57 118.70 123.22 3ifb s GLU 107 Ca -0.03 0.02 -0.36 0.00 0.36 0.00 0.00 54.97 54.96 3ifb s GLU 107 Cb -0.03 0.04 -0.17 0.00 0.26 0.00 0.00 34.13 34.23 3ifb s GLU 107 CO 0.02 -0.31 1.21 1.51 -0.54 0.00 0.00 175.26 177.15 3ifb n ILE 108 N 4.32 0.36 -3.75 -3.70 0.13 -1.26 -2.47 119.36 112.99 3ifb n ILE 108 Ca 0.07 -0.09 -0.37 0.00 -1.10 0.00 0.00 62.75 61.26 3ifb n ILE 108 Cb 0.61 -0.67 -0.11 0.00 -0.84 0.00 0.00 39.64 38.62 3ifb n ILE 108 CO 0.00 0.00 0.00 -0.51 2.80 0.00 0.00 176.55 178.84 3ifb s ILE 109 N 0.14 3.51 0.00 9.51 2.07 0.20 -4.80 121.20 131.83 3ifb s ILE 109 Ca 0.81 -1.74 0.00 0.00 -1.41 0.00 0.00 60.65 58.31 3ifb s ILE 109 Cb -0.97 -3.25 0.00 0.00 0.13 0.00 0.00 42.46 38.37 3ifb s ILE 109 CO 0.50 -0.53 0.00 0.61 -1.91 0.00 0.00 174.94 173.62 3ifb n GLY 110 N 4.69 1.33 2.05 1.50 0.00 -1.26 -1.04 105.19 112.47 3ifb n GLY 110 Ca -0.07 0.23 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 3ifb n GLY 110 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 3ifb n ASP 111 N 10.89 3.47 -3.75 1.61 9.92 -1.26 -4.99 116.55 132.44 3ifb n ASP 111 Ca 0.00 -3.22 -0.12 0.00 -0.53 0.00 0.00 54.79 50.92 3ifb n ASP 111 Cb 0.00 -0.40 -0.12 0.00 -0.64 0.00 0.00 41.12 39.96 3ifb n ASP 111 CO 0.00 0.00 0.00 -0.70 0.13 0.00 0.00 177.20 176.63 3ifb s GLU 112 N -3.43 0.26 -0.12 -1.24 2.12 -0.20 -4.59 118.70 111.50 3ifb s GLU 112 Ca 0.42 0.48 -0.17 0.00 0.36 0.00 0.00 54.97 56.06 3ifb s GLU 112 Cb 0.38 -0.00 -0.04 0.00 0.26 0.00 0.00 34.13 34.72 3ifb s GLU 112 CO -0.00 -0.11 0.44 -1.17 -0.54 0.00 0.00 175.26 173.88 3ifb s LEU 113 N 0.81 4.27 0.28 2.70 0.20 -0.13 0.63 118.68 127.44 3ifb s LEU 113 Ca -0.06 0.77 0.02 0.00 0.69 0.00 0.00 54.13 55.55 3ifb s LEU 113 Cb -0.07 -2.64 -0.03 0.00 -0.43 0.00 0.00 46.19 43.02 3ifb s LEU 113 CO -0.05 0.02 0.45 0.54 -0.29 0.00 0.00 176.35 177.02 3ifb s VAL 114 N 0.56 5.18 0.13 1.68 0.11 -1.03 -1.44 120.40 125.59 3ifb s VAL 114 Ca 0.24 -0.66 -0.17 0.00 -2.93 0.00 0.00 61.98 58.46 3ifb s VAL 114 Cb -0.15 -3.84 0.04 0.00 -1.53 0.00 0.00 36.38 30.90 3ifb s VAL 114 CO 0.09 -0.41 0.43 0.00 -3.33 0.00 0.00 175.10 171.89 3ifb s GLN 115 N -4.02 1.10 -0.15 1.54 -2.07 -0.64 -2.45 119.66 112.97 3ifb s GLN 115 Ca 0.37 -0.67 -0.03 0.00 -1.82 0.00 0.00 55.36 53.22 3ifb s GLN 115 Cb -0.10 0.49 0.05 0.00 -1.09 0.00 0.00 33.01 32.36 3ifb s GLN 115 CO 0.32 -0.44 0.04 0.95 -1.32 0.00 0.00 175.29 174.84 3ifb s THR 116 N -3.79 0.32 0.14 3.63 -4.23 -0.83 -0.80 115.64 110.08 3ifb s THR 116 Ca 0.03 -0.24 0.03 0.00 -1.18 0.00 0.00 61.69 60.33 3ifb s THR 116 Cb 0.01 -0.76 -0.04 0.00 1.34 0.00 0.00 72.50 73.06 3ifb s THR 116 CO -0.12 -0.08 0.18 -0.31 -0.54 0.00 0.00 174.62 173.75 3ifb s TYR 117 N 1.96 3.29 -0.01 3.99 2.02 -0.26 -1.09 117.35 127.26 3ifb s TYR 117 Ca 0.02 0.07 -0.04 0.00 -0.37 0.00 0.00 57.07 56.74 3ifb s TYR 117 Cb -0.15 -1.60 -0.00 0.00 -0.40 0.00 0.00 41.96 39.80 3ifb s TYR 117 CO -0.07 0.53 0.08 0.08 -1.57 0.00 0.00 175.55 174.59 3ifb s VAL 118 N -1.67 0.06 -0.08 0.71 1.01 0.12 0.28 120.40 120.83 3ifb s VAL 118 Ca 0.32 -0.50 -0.03 0.00 0.00 0.00 0.00 61.98 61.76 3ifb s VAL 118 Cb -0.11 -0.28 0.05 0.00 0.00 0.00 0.00 36.38 36.03 3ifb s VAL 118 CO 0.25 -0.28 0.17 -0.47 0.00 0.00 0.00 175.10 174.77 3ifb s TYR 119 N -0.90 -0.20 0.00 5.22 5.04 -0.64 0.02 117.35 125.90 3ifb s TYR 119 Ca -0.10 0.62 0.00 0.00 -2.44 0.00 0.00 57.07 55.15 3ifb s TYR 119 Cb -0.06 -0.21 0.00 0.00 0.35 0.00 0.00 41.96 42.04 3ifb s TYR 119 CO 0.00 -0.26 0.00 0.39 -1.34 0.00 0.00 175.55 174.34 3ifb n GLU 120 N 5.12 -1.03 0.00 4.97 1.02 -1.14 -0.38 120.64 129.20 3ifb n GLU 120 Ca -0.09 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.05 3ifb n GLU 120 Cb 0.50 -3.31 0.00 0.00 -0.02 0.00 0.00 31.44 28.62 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3ifb n GLY 121 N 0.00 1.55 3.75 0.62 0.00 -1.26 -5.11 105.19 104.74 3ifb n GLY 121 Ca 0.00 -0.25 -0.33 0.00 0.00 0.00 0.00 46.02 45.44 3ifb n GLY 121 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3ifb s VAL 122 N 0.00 2.93 -0.20 1.61 0.11 0.49 -4.99 120.40 120.34 3ifb s VAL 122 Ca 0.00 0.42 -0.03 0.00 -2.93 0.00 0.00 61.98 59.44 3ifb s VAL 122 Cb 0.00 -2.91 -0.00 0.00 -1.53 0.00 0.00 36.38 31.93 3ifb s VAL 122 CO 0.00 -0.29 -0.08 -0.70 -3.33 0.00 0.00 175.10 170.71 3ifb s GLU 123 N -4.17 3.32 0.38 1.54 -6.30 -1.26 -1.62 118.70 110.59 3ifb s GLU 123 Ca 0.68 -0.66 0.08 0.00 -2.50 0.00 0.00 54.97 52.57 3ifb s GLU 123 Cb -0.22 -2.90 -0.07 0.00 0.00 0.00 0.00 34.13 30.94 3ifb s GLU 123 CO 0.45 -0.15 0.01 0.00 0.02 0.00 0.00 175.26 175.58 3ifb s ALA 124 N 1.32 3.18 -0.01 6.30 0.00 0.14 -4.78 121.76 127.91 3ifb s ALA 124 Ca 0.04 -2.18 -0.29 0.00 0.00 0.00 0.00 51.96 49.53 3ifb s ALA 124 Cb -0.14 -0.04 0.08 0.00 0.00 0.00 0.00 23.12 23.01 3ifb s ALA 124 CO -0.04 -0.05 0.70 0.21 0.00 0.00 0.00 175.76 176.58 3ifb s LYS 125 N -3.71 1.06 -0.05 0.00 2.20 -1.18 -1.10 119.74 116.96 3ifb s LYS 125 Ca 0.35 0.04 -0.03 0.00 -0.36 0.00 0.00 55.97 55.97 3ifb s LYS 125 Cb 0.06 0.50 0.02 0.00 -1.51 0.00 0.00 37.83 36.90 3ifb s LYS 125 CO 0.18 -0.38 0.12 0.50 -0.36 0.00 0.00 175.35 175.41 3ifb s ARG 126 N -1.90 0.11 0.01 4.03 6.06 0.02 -1.85 118.95 125.43 3ifb s ARG 126 Ca -0.07 0.22 0.05 0.00 -2.50 0.00 0.00 55.73 53.43 3ifb s ARG 126 Cb -0.00 -0.03 -0.03 0.00 0.06 0.00 0.00 34.95 34.95 3ifb s ARG 126 CO 0.03 -0.07 -0.11 0.42 -2.50 0.00 0.00 175.30 173.06 3ifb s ILE 127 N 0.45 3.29 -0.00 4.11 -1.09 0.14 -1.63 121.20 126.46 3ifb s ILE 127 Ca -0.03 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.48 3ifb s ILE 127 Cb -0.05 -2.40 0.00 0.00 -1.58 0.00 0.00 42.46 38.44 3ifb s ILE 127 CO -0.02 0.39 -0.00 -0.36 -1.23 0.00 0.00 174.94 173.72 3ifb s PHE 128 N -0.95 0.10 0.23 3.97 0.40 -0.52 0.22 117.98 121.44 3ifb s PHE 128 Ca 0.16 0.00 0.10 0.00 -0.60 0.00 0.00 56.93 56.59 3ifb s PHE 128 Cb -0.11 -0.10 -0.05 0.00 0.51 0.00 0.00 43.02 43.27 3ifb s PHE 128 CO 0.06 -0.02 -0.18 0.15 0.70 0.00 0.00 175.22 175.93 3ifb s LYS 129 N 0.17 1.50 0.99 0.44 -0.14 -0.60 -0.95 119.74 121.14 3ifb s LYS 129 Ca -0.01 -1.65 -0.16 0.00 -1.36 0.00 0.00 55.97 52.78 3ifb s LYS 129 Cb -0.03 -1.48 -0.09 0.00 -1.68 0.00 0.00 37.83 34.55 3ifb s LYS 129 CO -0.00 0.27 -0.46 0.36 -0.76 0.00 0.00 175.35 174.75 3ifb n LYS 130 N -0.39 -0.13 0.00 1.68 0.00 -1.26 0.93 118.16 118.99 3ifb n LYS 130 Ca -0.07 -0.02 0.00 0.00 -0.00 0.00 0.00 58.31 58.21 3ifb n LYS 130 Cb 0.60 -1.27 0.00 0.00 -0.00 0.00 0.00 35.03 34.35 3ifb n LYS 130 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.40 173.93