#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 -1.81 -3.32 0.00 3.01 -1.26 -4.94 117.46 109.14 3ifb n PHE 2 Ca 0.00 0.80 -0.02 0.00 1.01 0.00 0.00 57.45 59.24 3ifb n PHE 2 Cb 0.00 -3.72 -0.05 0.00 -0.01 0.00 0.00 39.48 35.70 3ifb n PHE 2 CO 0.00 0.00 0.00 0.16 1.01 0.00 0.00 176.76 177.93 3ifb s ASP 3 N -3.98 -0.69 -0.04 4.37 -4.77 -1.26 -4.17 116.67 106.12 3ifb s ASP 3 Ca 0.26 0.74 -0.30 0.00 -3.30 0.00 0.00 52.55 49.95 3ifb s ASP 3 Cb -0.14 1.74 0.11 0.00 -1.09 0.00 0.00 42.92 43.55 3ifb s ASP 3 CO 0.88 -0.27 1.05 -0.44 0.70 0.00 0.00 175.17 177.09 3ifb s SER 4 N 2.73 -0.22 -0.71 2.11 0.01 -0.23 -4.98 113.70 112.41 3ifb s SER 4 Ca 0.13 -0.08 -0.15 0.00 1.31 0.00 0.00 55.95 57.15 3ifb s SER 4 Cb -0.15 0.29 0.17 0.00 0.21 0.00 0.00 66.02 66.55 3ifb s SER 4 CO -0.18 -0.50 0.68 -0.89 0.41 0.00 0.00 173.24 172.76 3ifb s THR 5 N -2.83 5.35 0.71 1.44 2.01 -1.26 -1.41 115.64 119.65 3ifb s THR 5 Ca 0.09 -1.93 -0.07 0.00 0.31 0.00 0.00 61.69 60.08 3ifb s THR 5 Cb -0.00 -4.44 0.06 0.00 0.01 0.00 0.00 72.50 68.12 3ifb s THR 5 CO -0.05 -1.01 1.03 0.26 -0.69 0.00 0.00 174.62 174.16 3ifb s TRP 6 N 1.05 2.96 -0.10 4.92 0.52 0.17 -1.10 118.94 127.37 3ifb s TRP 6 Ca 0.13 0.52 -0.15 0.00 0.02 0.00 0.00 56.10 56.62 3ifb s TRP 6 Cb -0.18 -3.19 0.03 0.00 -1.15 0.00 0.00 33.47 28.98 3ifb s TRP 6 CO -0.03 -1.39 0.38 -1.59 0.02 0.00 0.00 176.95 174.33 3ifb s LYS 7 N -5.27 0.55 0.75 4.98 0.00 0.19 -2.20 119.74 118.74 3ifb s LYS 7 Ca 0.60 0.29 -0.15 0.00 0.00 0.00 0.00 55.97 56.70 3ifb s LYS 7 Cb -0.11 0.26 0.02 0.00 0.00 0.00 0.00 37.83 38.00 3ifb s LYS 7 CO 0.45 -0.11 0.98 1.55 0.00 0.00 0.00 175.35 178.23 3ifb n VAL 8 N 2.26 2.56 0.01 1.79 3.14 -0.99 -1.73 118.33 125.37 3ifb n VAL 8 Ca -0.16 -0.33 0.00 0.00 -2.96 0.00 0.00 64.34 60.88 3ifb n VAL 8 Cb 0.57 -1.10 0.00 0.00 -1.06 0.00 0.00 33.84 32.25 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 -1.94 0.23 -3.13 6.55 2.03 0.18 -4.76 116.55 115.72 3ifb n ASP 9 Ca 0.13 0.03 -0.12 0.00 0.52 0.00 0.00 54.79 55.34 3ifb n ASP 9 Cb 0.50 -0.07 -0.02 0.00 -0.72 0.00 0.00 41.12 40.81 3ifb n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 3ifb s ARG 10 N -2.00 2.03 0.21 -0.67 1.70 -1.13 -4.98 118.95 114.11 3ifb s ARG 10 Ca 0.00 -1.63 -0.15 0.00 -0.47 0.00 0.00 55.73 53.48 3ifb s ARG 10 Cb 0.00 0.51 0.01 0.00 -0.57 0.00 0.00 34.95 34.90 3ifb s ARG 10 CO 0.00 -0.89 0.48 -1.54 -1.08 0.00 0.00 175.30 172.27 3ifb s SER 11 N -3.17 -0.15 0.13 -2.89 1.04 -1.26 -1.94 113.70 105.45 3ifb s SER 11 Ca 0.25 -0.71 -0.11 0.00 0.48 0.00 0.00 55.95 55.86 3ifb s SER 11 Cb -0.02 0.57 0.01 0.00 0.10 0.00 0.00 66.02 66.67 3ifb s SER 11 CO 0.17 -1.07 0.28 -1.83 0.98 0.00 0.00 173.24 171.77 3ifb s GLU 12 N -3.94 1.02 -1.72 4.02 -1.05 -1.04 -4.88 118.70 111.09 3ifb s GLU 12 Ca 0.15 -0.97 -0.18 0.00 -0.15 0.00 0.00 54.97 53.83 3ifb s GLU 12 Cb -0.00 0.39 0.16 0.00 -0.44 0.00 0.00 34.13 34.23 3ifb s GLU 12 CO 0.02 -0.36 0.66 0.09 0.95 0.00 0.00 175.26 176.62 3ifb n ASN 13 N -0.16 -2.42 -0.08 0.83 4.13 -1.26 -3.41 115.26 112.89 3ifb n ASN 13 Ca -0.13 -1.09 -0.17 0.00 1.68 0.00 0.00 54.58 54.87 3ifb n ASN 13 Cb 0.63 -2.39 -0.06 0.00 -1.54 0.00 0.00 39.78 36.42 3ifb n ASN 13 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3ifb n TYR 14 N -4.31 0.00 0.18 3.10 9.36 -1.26 -2.00 117.16 122.22 3ifb n TYR 14 Ca 0.03 0.00 0.04 0.00 3.32 0.00 0.00 57.90 61.29 3ifb n TYR 14 Cb 0.51 -0.59 0.31 0.00 -0.63 0.00 0.00 39.34 38.94 3ifb n TYR 14 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 3ifb h ASP 15 N -0.64 0.00 0.30 2.98 5.19 -1.96 -1.61 116.42 120.69 3ifb h ASP 15 Ca -0.38 0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.01 3ifb h ASP 15 Cb 1.27 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.79 3ifb h ASP 15 CO -0.23 0.43 -0.15 0.50 -3.12 0.00 0.00 179.24 176.67 3ifb h LYS 16 N 0.00 -0.39 -0.22 3.56 3.64 -1.94 0.15 116.57 121.36 3ifb h LYS 16 Ca -0.00 0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.45 3ifb h LYS 16 Cb 0.90 0.09 -0.07 0.00 -0.41 0.00 0.00 32.23 32.73 3ifb h LYS 16 CO 0.06 -0.08 -0.42 0.35 -2.27 0.00 0.00 179.45 177.08 3ifb h PHE 17 N -0.72 -1.21 0.02 1.91 3.57 -1.36 0.24 116.94 119.39 3ifb h PHE 17 Ca -0.04 0.05 0.02 0.00 3.53 0.00 0.00 57.97 61.53 3ifb h PHE 17 Cb 0.49 0.56 -0.03 0.00 2.79 0.00 0.00 35.95 39.76 3ifb h PHE 17 CO 0.02 -0.46 -0.16 0.52 -2.23 0.00 0.00 178.31 176.00 3ifb h MET 18 N -0.44 -0.27 -0.85 1.11 2.86 -1.27 0.43 114.93 116.51 3ifb h MET 18 Ca 0.09 0.02 0.21 0.00 -2.06 0.00 0.00 59.70 57.96 3ifb h MET 18 Cb 0.61 0.06 -0.12 0.00 0.06 0.00 0.00 31.60 32.21 3ifb h MET 18 CO -0.45 -0.18 0.31 1.49 1.06 0.00 0.00 176.91 179.14 3ifb h GLU 19 N -0.28 0.32 -0.11 1.72 4.81 0.10 0.80 114.58 121.94 3ifb h GLU 19 Ca 0.05 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.25 3ifb h GLU 19 Cb 0.33 -0.07 -0.01 0.00 0.63 0.00 0.00 28.75 29.63 3ifb h GLU 19 CO -0.14 0.21 0.03 0.87 -0.73 0.00 0.00 179.01 179.26 3ifb h LYS 20 N 0.33 0.15 0.00 1.92 1.79 0.17 0.39 116.57 121.32 3ifb h LYS 20 Ca 0.52 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.98 3ifb h LYS 20 Cb 0.98 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.59 3ifb h LYS 20 CO -0.55 0.14 0.00 0.52 -1.08 0.00 0.00 179.45 178.48 3ifb h MET 21 N 0.15 0.00 -5.75 3.15 2.86 -0.40 -3.45 114.93 111.49 3ifb h MET 21 Ca 0.04 0.00 -0.42 0.00 -2.06 0.00 0.00 59.70 57.26 3ifb h MET 21 Cb 0.06 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 31.62 3ifb h MET 21 CO -0.00 0.00 -0.62 0.41 1.06 0.00 0.00 176.91 177.75 3ifb n GLY 22 N -0.51 -0.48 0.96 8.32 0.00 0.13 -4.97 105.19 108.64 3ifb n GLY 22 Ca -0.01 0.11 -0.13 0.00 0.00 0.00 0.00 46.02 45.99 3ifb n GLY 22 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ifb n VAL 23 N -4.09 0.40 -2.72 1.61 0.31 -1.25 -4.93 118.33 107.66 3ifb n VAL 23 Ca 0.01 -0.14 -0.40 0.00 -0.01 0.00 0.00 64.34 63.79 3ifb n VAL 23 Cb 0.53 0.00 -0.06 0.00 -0.91 0.00 0.00 33.84 33.40 3ifb n VAL 23 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 3ifb s ASN 24 N -0.29 7.61 0.63 4.52 3.84 -1.26 -4.87 114.94 125.13 3ifb s ASN 24 Ca 0.18 1.98 0.21 0.00 0.21 0.00 0.00 52.86 55.43 3ifb s ASN 24 Cb -0.23 -2.61 0.96 0.00 -0.55 0.00 0.00 41.25 38.82 3ifb s ASN 24 CO 0.17 0.13 1.48 0.16 -2.79 0.00 0.00 177.10 176.25 3ifb h ILE 25 N 3.16 0.08 0.00 -5.21 3.07 -1.96 0.36 117.51 117.01 3ifb h ILE 25 Ca -0.45 0.00 -0.12 0.00 1.55 0.00 0.00 64.86 65.84 3ifb h ILE 25 Cb 1.20 0.27 -0.02 0.00 -0.27 0.00 0.00 36.82 38.00 3ifb h ILE 25 CO 0.68 0.00 -0.55 0.58 -1.05 0.00 0.00 178.15 177.81 3ifb h VAL 26 N 0.00 1.19 -0.09 0.16 2.07 -1.99 0.11 116.25 117.70 3ifb h VAL 26 Ca 0.22 -2.05 0.04 0.00 0.82 0.00 0.00 66.70 65.73 3ifb h VAL 26 Cb 1.88 2.17 -0.05 0.00 -1.52 0.00 0.00 31.29 33.77 3ifb h VAL 26 CO -0.00 0.54 -0.19 0.11 0.02 0.00 0.00 177.57 178.05 3ifb h LYS 27 N 0.00 -0.25 0.00 1.57 1.79 -0.65 -2.44 116.57 116.59 3ifb h LYS 27 Ca -0.01 0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.46 3ifb h LYS 27 Cb 1.13 0.06 -0.00 0.00 -1.58 0.00 0.00 32.23 31.83 3ifb h LYS 27 CO 0.07 -0.17 -0.12 0.00 -1.08 0.00 0.00 179.45 178.16 3ifb h ARG 28 N -0.26 0.00 0.00 3.15 3.08 -1.12 0.76 114.38 119.99 3ifb h ARG 28 Ca 0.09 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 3ifb h ARG 28 Cb 0.39 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.44 3ifb h ARG 28 CO -0.25 0.12 -0.11 0.87 -1.07 0.00 0.00 179.97 179.53 3ifb h LYS 29 N 0.00 0.00 0.00 0.04 6.56 -0.34 0.22 116.57 123.04 3ifb h LYS 29 Ca -0.00 0.00 -0.08 0.00 -1.06 0.00 0.00 60.65 59.51 3ifb h LYS 29 Cb 0.32 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 31.97 3ifb h LYS 29 CO 0.01 0.11 -1.83 1.47 -2.06 0.00 0.00 179.45 177.15 3ifb n LEU 30 N -4.19 0.00 0.22 2.94 -0.00 -0.64 -4.32 117.00 111.01 3ifb n LEU 30 Ca -0.03 0.00 0.05 0.00 -0.00 0.00 0.00 56.01 56.04 3ifb n LEU 30 Cb 0.19 0.11 0.48 0.00 -0.00 0.00 0.00 43.42 44.19 3ifb n LEU 30 CO 0.33 0.11 0.85 0.00 -0.00 0.00 0.00 177.39 178.68 3ifb h ALA 31 N 1.28 1.53 -1.00 1.47 0.00 0.88 1.43 119.26 124.84 3ifb h ALA 31 Ca -0.12 -0.22 0.28 0.00 0.00 0.00 0.00 54.91 54.85 3ifb h ALA 31 Cb 1.08 -0.04 -0.19 0.00 0.00 0.00 0.00 17.79 18.65 3ifb h ALA 31 CO 0.01 0.30 0.04 0.00 0.00 0.00 0.00 179.25 179.60 3ifb n ALA 32 N -2.46 0.53 -0.18 0.00 0.00 0.74 -2.89 120.51 116.25 3ifb n ALA 32 Ca -0.02 1.07 0.01 0.00 0.00 0.00 0.00 53.44 54.50 3ifb n ALA 32 Cb 0.30 -0.79 0.02 0.00 0.00 0.00 0.00 19.45 18.98 3ifb n ALA 32 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 177.50 175.11 3ifb n HIS 33 N -5.49 0.00 0.02 0.00 1.44 0.25 -4.77 115.22 106.67 3ifb n HIS 33 Ca 0.24 -0.56 -0.19 0.00 -2.01 0.00 0.00 57.72 55.20 3ifb n HIS 33 Cb 0.79 -0.06 -0.14 0.00 0.12 0.00 0.00 29.99 30.70 3ifb n HIS 33 CO 0.00 0.00 0.00 0.38 -2.81 0.00 0.00 176.34 173.91 3ifb h ASP 34 N 0.00 0.38 -3.42 4.39 2.03 0.17 -3.47 116.42 116.50 3ifb h ASP 34 Ca 0.00 -0.95 0.12 0.00 -0.73 0.00 0.00 57.03 55.47 3ifb h ASP 34 Cb 0.58 -0.12 -0.03 0.00 -0.83 0.00 0.00 39.33 38.93 3ifb h ASP 34 CO 0.00 1.30 -0.16 0.59 -1.03 0.00 0.00 179.24 179.94 3ifb n ASN 35 N -4.23 -3.39 -3.15 4.15 5.03 -1.26 -3.05 115.26 109.36 3ifb n ASN 35 Ca -0.13 0.48 0.05 0.00 0.87 0.00 0.00 54.58 55.86 3ifb n ASN 35 Cb 0.74 -1.36 -0.00 0.00 -1.02 0.00 0.00 39.78 38.14 3ifb n ASN 35 CO 0.00 0.00 0.00 -0.22 -1.83 0.00 0.00 177.26 175.21 3ifb s LEU 36 N 0.00 -0.61 0.39 3.41 0.20 -1.26 -4.44 118.68 116.38 3ifb s LEU 36 Ca 0.00 0.14 0.05 0.00 0.69 0.00 0.00 54.13 55.02 3ifb s LEU 36 Cb 0.00 1.41 -0.07 0.00 -0.43 0.00 0.00 46.19 47.11 3ifb s LEU 36 CO 0.00 -0.11 0.03 -0.75 -0.29 0.00 0.00 176.35 175.23 3ifb s LYS 37 N 2.94 1.89 -0.05 1.98 2.20 0.62 -2.36 119.74 126.97 3ifb s LYS 37 Ca 0.19 -2.08 -0.02 0.00 -0.36 0.00 0.00 55.97 53.69 3ifb s LYS 37 Cb -0.05 -1.36 0.03 0.00 -1.51 0.00 0.00 37.83 34.94 3ifb s LYS 37 CO -0.20 -0.14 0.10 -1.17 -0.36 0.00 0.00 175.35 173.58 3ifb s LEU 38 N -3.66 0.93 -0.41 5.43 1.98 -0.93 0.40 118.68 122.42 3ifb s LEU 38 Ca 0.32 0.20 -0.14 0.00 -2.89 0.00 0.00 54.13 51.62 3ifb s LEU 38 Cb 0.09 0.21 0.03 0.00 0.66 0.00 0.00 46.19 47.18 3ifb s LEU 38 CO 0.16 -0.13 0.29 -0.89 -1.89 0.00 0.00 176.35 173.88 3ifb s THR 39 N 1.03 5.09 -0.12 3.68 2.01 -0.86 0.43 115.64 126.90 3ifb s THR 39 Ca -0.08 -0.75 -0.07 0.00 0.31 0.00 0.00 61.69 61.10 3ifb s THR 39 Cb -0.11 -3.86 -0.04 0.00 0.01 0.00 0.00 72.50 68.50 3ifb s THR 39 CO -0.04 -0.32 0.14 -0.51 -0.69 0.00 0.00 174.62 173.19 3ifb s ILE 40 N 1.64 5.48 -0.32 1.82 2.07 -0.50 -1.26 121.20 130.12 3ifb s ILE 40 Ca 0.04 0.20 0.04 0.00 -1.41 0.00 0.00 60.65 59.52 3ifb s ILE 40 Cb -0.20 -3.38 0.17 0.00 0.13 0.00 0.00 42.46 39.18 3ifb s ILE 40 CO 0.09 0.62 0.48 -0.89 -1.91 0.00 0.00 174.94 173.33 3ifb s THR 41 N -1.02 -0.72 0.76 4.00 2.01 -0.65 -1.06 115.64 118.95 3ifb s THR 41 Ca 0.15 -0.30 -0.11 0.00 0.31 0.00 0.00 61.69 61.74 3ifb s THR 41 Cb -0.12 -0.76 0.05 0.00 0.01 0.00 0.00 72.50 71.67 3ifb s THR 41 CO 0.04 -0.23 1.09 -1.10 -0.69 0.00 0.00 174.62 173.73 3ifb s GLN 42 N 2.29 2.42 0.30 4.92 -0.21 -1.26 -2.24 119.66 125.88 3ifb s GLN 42 Ca 0.12 0.65 -0.18 0.00 0.02 0.00 0.00 55.36 55.97 3ifb s GLN 42 Cb -0.11 -1.96 0.02 0.00 1.00 0.00 0.00 33.01 31.97 3ifb s GLN 42 CO -0.21 -1.39 0.69 -2.00 -2.12 0.00 0.00 175.29 170.27 3ifb s GLU 43 N -5.18 1.85 -0.45 2.91 2.56 0.23 -4.91 118.70 115.72 3ifb s GLU 43 Ca 0.60 -1.14 -0.05 0.00 0.00 0.00 0.00 54.97 54.38 3ifb s GLU 43 Cb -0.14 0.59 -0.15 0.00 2.00 0.00 0.00 34.13 36.44 3ifb s GLU 43 CO 0.54 -0.84 0.99 0.41 -0.56 0.00 0.00 175.26 175.79 3ifb n GLY 44 N -0.47 -0.22 4.01 -1.50 0.00 -1.26 0.73 105.19 106.47 3ifb n GLY 44 Ca -0.04 0.04 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 2.67 -1.08 -3.71 1.61 5.15 -1.26 -4.95 115.26 113.69 3ifb n ASN 45 Ca 0.30 -1.10 -0.14 0.00 -0.60 0.00 0.00 54.58 53.04 3ifb n ASN 45 Cb 0.06 -2.64 -0.08 0.00 -0.53 0.00 0.00 39.78 36.59 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 -6.75 0.75 -0.40 1.20 2.20 0.22 -4.71 119.74 112.25 3ifb s LYS 46 Ca 0.11 -0.08 0.01 0.00 -0.36 0.00 0.00 55.97 55.65 3ifb s LYS 46 Cb -0.05 0.34 0.14 0.00 -1.51 0.00 0.00 37.83 36.75 3ifb s LYS 46 CO 0.92 -0.21 0.22 -0.06 -0.36 0.00 0.00 175.35 175.86 3ifb s PHE 47 N -1.28 1.53 0.03 4.03 0.40 -0.12 -0.60 117.98 121.97 3ifb s PHE 47 Ca -0.13 -2.12 -0.28 0.00 -0.60 0.00 0.00 56.93 53.80 3ifb s PHE 47 Cb -0.04 -1.54 -0.04 0.00 0.51 0.00 0.00 43.02 41.90 3ifb s PHE 47 CO 0.05 -0.80 0.89 -0.08 0.70 0.00 0.00 175.22 175.99 3ifb s THR 48 N 0.65 4.77 0.09 0.64 -1.32 -0.95 -2.15 115.64 117.38 3ifb s THR 48 Ca 0.17 1.89 0.09 0.00 -1.21 0.00 0.00 61.69 62.64 3ifb s THR 48 Cb -0.24 -4.24 -0.04 0.00 -1.51 0.00 0.00 72.50 66.47 3ifb s THR 48 CO -0.00 0.25 -0.21 -0.69 -2.21 0.00 0.00 174.62 171.76 3ifb s VAL 49 N 0.52 2.64 -0.36 5.08 1.01 0.88 -1.64 120.40 128.54 3ifb s VAL 49 Ca 0.46 -1.47 0.00 0.00 0.00 0.00 0.00 61.98 60.97 3ifb s VAL 49 Cb -0.21 -2.16 0.12 0.00 0.00 0.00 0.00 36.38 34.13 3ifb s VAL 49 CO 0.26 0.18 0.17 -0.75 0.00 0.00 0.00 175.10 174.96 3ifb s LYS 50 N -1.87 0.82 -0.91 2.72 2.20 -0.39 -1.18 119.74 121.13 3ifb s LYS 50 Ca 0.16 -1.40 -0.24 0.00 -0.36 0.00 0.00 55.97 54.13 3ifb s LYS 50 Cb -0.10 -1.88 -0.01 0.00 -1.51 0.00 0.00 37.83 34.32 3ifb s LYS 50 CO 0.07 -1.10 1.77 -1.21 -0.36 0.00 0.00 175.35 174.53 3ifb s GLU 51 N 1.11 2.88 0.53 4.03 0.41 -0.01 -2.02 118.70 125.64 3ifb s GLU 51 Ca 0.14 -0.45 -0.22 0.00 -0.41 0.00 0.00 54.97 54.03 3ifb s GLU 51 Cb -0.21 -5.06 -0.05 0.00 -1.78 0.00 0.00 34.13 27.03 3ifb s GLU 51 CO -0.12 -2.94 1.31 0.45 -0.49 0.00 0.00 175.26 173.47 3ifb s SER 52 N 7.00 5.44 -0.16 -0.19 0.15 0.16 -1.32 113.70 124.78 3ifb s SER 52 Ca 0.62 2.66 -0.30 0.00 0.70 0.00 0.00 55.95 59.63 3ifb s SER 52 Cb -0.05 -2.63 0.13 0.00 -1.71 0.00 0.00 66.02 61.76 3ifb s SER 52 CO -0.01 -1.45 1.04 -0.94 1.20 0.00 0.00 173.24 173.08 3ifb s SER 53 N -1.06 -0.31 0.60 5.45 1.04 -1.26 -0.27 113.70 117.88 3ifb s SER 53 Ca 0.70 0.29 0.29 0.00 0.48 0.00 0.00 55.95 57.72 3ifb s SER 53 Cb -0.38 0.27 1.66 0.00 0.10 0.00 0.00 66.02 67.68 3ifb s SER 53 CO 0.45 -0.33 2.08 0.00 0.98 0.00 0.00 173.24 176.41 3ifb h ALA 54 N 2.40 1.79 -0.92 5.32 0.00 -1.75 0.45 119.26 126.55 3ifb h ALA 54 Ca -0.17 -0.01 0.23 0.00 0.00 0.00 0.00 54.91 54.96 3ifb h ALA 54 Cb 1.17 0.01 -0.13 0.00 0.00 0.00 0.00 17.79 18.85 3ifb h ALA 54 CO 0.29 -0.34 0.43 0.74 0.00 0.00 0.00 179.25 180.37 3ifb h PHE 55 N 0.00 0.71 0.00 0.00 0.04 -1.89 -3.45 116.94 112.35 3ifb h PHE 55 Ca 0.09 0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.90 3ifb h PHE 55 Cb 0.56 -0.17 0.00 0.00 2.20 0.00 0.00 35.95 38.55 3ifb h PHE 55 CO 0.00 -0.04 0.00 -2.13 -0.60 0.00 0.00 178.31 175.54 3ifb n ARG 56 N -5.03 0.00 0.00 1.51 0.63 0.14 -4.86 116.66 109.04 3ifb n ARG 56 Ca 0.23 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 3ifb n ARG 56 Cb 0.69 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.60 3ifb n ARG 56 CO 0.00 0.00 0.00 0.27 -2.51 0.00 0.00 177.63 175.39 3ifb n ASN 57 N 0.00 0.00 -4.51 6.15 0.23 -1.16 -4.87 115.26 111.10 3ifb n ASN 57 Ca 0.00 0.00 -0.39 0.00 -0.53 0.00 0.00 54.58 53.66 3ifb n ASN 57 Cb 0.00 0.00 -0.11 0.00 -2.08 0.00 0.00 39.78 37.59 3ifb n ASN 57 CO 0.00 0.00 0.00 -0.63 -0.93 0.00 0.00 177.26 175.70 3ifb s ILE 58 N 0.00 5.03 -0.01 1.53 -1.09 -0.43 -4.96 121.20 121.27 3ifb s ILE 58 Ca 0.00 -0.20 -0.30 0.00 -2.23 0.00 0.00 60.65 57.92 3ifb s ILE 58 Cb 0.00 -3.53 -0.03 0.00 -1.58 0.00 0.00 42.46 37.32 3ifb s ILE 58 CO 0.00 0.08 1.01 -0.70 -1.23 0.00 0.00 174.94 174.10 3ifb s GLU 59 N 1.69 4.52 0.04 2.79 2.12 -1.26 -0.83 118.70 127.77 3ifb s GLU 59 Ca 0.06 1.45 -0.03 0.00 0.36 0.00 0.00 54.97 56.81 3ifb s GLU 59 Cb -0.17 -3.46 -0.02 0.00 0.26 0.00 0.00 34.13 30.74 3ifb s GLU 59 CO 0.09 -0.12 0.04 0.08 -0.54 0.00 0.00 175.26 174.81 3ifb s VAL 60 N 1.19 0.15 -0.03 3.70 1.01 -0.33 -4.95 120.40 121.15 3ifb s VAL 60 Ca 0.52 -1.25 -0.25 0.00 0.00 0.00 0.00 61.98 61.00 3ifb s VAL 60 Cb -0.21 -0.94 0.05 0.00 0.00 0.00 0.00 36.38 35.28 3ifb s VAL 60 CO 0.26 -0.69 0.54 0.54 0.00 0.00 0.00 175.10 175.75 3ifb s VAL 61 N -2.75 0.02 0.05 2.92 0.11 -1.26 -0.08 120.40 119.41 3ifb s VAL 61 Ca -0.04 -0.19 -0.01 0.00 -2.93 0.00 0.00 61.98 58.81 3ifb s VAL 61 Cb -0.00 -0.87 -0.04 0.00 -1.53 0.00 0.00 36.38 33.94 3ifb s VAL 61 CO -0.05 -0.10 -0.02 0.72 -3.33 0.00 0.00 175.10 172.31 3ifb s PHE 62 N -1.38 0.50 -0.37 1.54 -0.12 -0.92 -4.88 117.98 112.35 3ifb s PHE 62 Ca -0.11 -1.03 0.12 0.00 -0.05 0.00 0.00 56.93 55.86 3ifb s PHE 62 Cb -0.02 -0.37 0.38 0.00 -0.63 0.00 0.00 43.02 42.38 3ifb s PHE 62 CO 0.07 -0.38 0.90 -1.91 -0.05 0.00 0.00 175.22 173.84 3ifb n GLU 63 N 0.15 1.04 -2.87 1.99 2.13 -1.26 -0.94 120.64 120.87 3ifb n GLU 63 Ca -0.14 -3.00 -0.09 0.00 0.66 0.00 0.00 57.16 54.59 3ifb n GLU 63 Cb 0.61 -1.36 0.01 0.00 0.27 0.00 0.00 31.44 30.97 3ifb n GLU 63 CO 0.00 0.00 0.00 1.28 -0.41 0.00 0.00 177.13 178.00 3ifb n LEU 64 N 0.14 -7.72 -0.57 4.31 4.77 -1.26 -4.73 117.00 111.93 3ifb n LEU 64 Ca 0.16 0.59 0.00 0.00 -0.03 0.00 0.00 56.01 56.72 3ifb n LEU 64 Cb 0.72 -3.32 0.00 0.00 -2.33 0.00 0.00 43.42 38.49 3ifb n LEU 64 CO 0.18 -2.34 0.00 0.61 -1.33 0.00 0.00 177.39 174.51 3ifb n GLY 65 N -0.20 0.74 3.17 -0.72 0.00 0.13 -4.95 105.19 103.35 3ifb n GLY 65 Ca 0.10 -0.59 -0.11 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.38 0.09 0.63 1.61 1.01 -1.02 -4.95 120.40 115.39 3ifb s VAL 66 Ca 0.00 -0.74 -0.17 0.00 0.00 0.00 0.00 61.98 61.07 3ifb s VAL 66 Cb 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 36.38 35.68 3ifb s VAL 66 CO 0.00 -0.41 1.18 -0.89 0.00 0.00 0.00 175.10 174.98 3ifb s THR 67 N -1.91 2.72 0.11 3.92 2.01 -1.26 -2.28 115.64 118.94 3ifb s THR 67 Ca -0.10 0.40 -0.19 0.00 0.31 0.00 0.00 61.69 62.12 3ifb s THR 67 Cb -0.04 -3.05 0.04 0.00 0.01 0.00 0.00 72.50 69.46 3ifb s THR 67 CO -0.00 -0.14 0.46 0.12 -0.69 0.00 0.00 174.62 174.36 3ifb s PHE 68 N -1.85 -0.31 0.07 4.92 5.36 0.15 -4.88 117.98 121.45 3ifb s PHE 68 Ca 0.74 0.12 -0.13 0.00 -0.96 0.00 0.00 56.93 56.70 3ifb s PHE 68 Cb -0.27 0.32 0.02 0.00 -0.34 0.00 0.00 43.02 42.74 3ifb s PHE 68 CO 0.37 -0.70 0.31 0.54 -1.46 0.00 0.00 175.22 174.28 3ifb s ASN 69 N -2.53 -0.11 -0.29 6.13 4.22 -1.26 0.22 114.94 121.33 3ifb s ASN 69 Ca -0.00 -0.31 0.03 0.00 -2.14 0.00 0.00 52.86 50.44 3ifb s ASN 69 Cb 0.01 0.39 0.18 0.00 1.28 0.00 0.00 41.25 43.10 3ifb s ASN 69 CO -0.09 -0.70 0.49 -0.47 -2.04 0.00 0.00 177.10 174.29 3ifb s TYR 70 N -3.14 -1.36 0.84 1.54 5.04 -0.86 -4.94 117.35 114.46 3ifb s TYR 70 Ca -0.01 0.74 -0.11 0.00 -2.44 0.00 0.00 57.07 55.26 3ifb s TYR 70 Cb 0.01 0.08 0.10 0.00 0.35 0.00 0.00 41.96 42.50 3ifb s TYR 70 CO -0.07 -1.00 1.10 -0.80 -1.34 0.00 0.00 175.55 173.44 3ifb s ASN 71 N 2.67 3.90 0.00 4.32 -0.87 -1.26 -2.09 114.94 121.60 3ifb s ASN 71 Ca 0.11 1.76 0.00 0.00 -1.57 0.00 0.00 52.86 53.16 3ifb s ASN 71 Cb -0.12 -2.42 0.00 0.00 -0.02 0.00 0.00 41.25 38.69 3ifb s ASN 71 CO -0.27 -2.41 0.00 -0.11 -2.57 0.00 0.00 177.10 171.74 3ifb n LEU 72 N -3.76 0.00 -0.91 0.60 7.94 -0.75 -4.81 117.00 115.31 3ifb n LEU 72 Ca 0.09 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.99 3ifb n LEU 72 Cb 0.54 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.49 3ifb n LEU 72 CO 0.54 0.00 0.22 0.00 -1.11 0.00 0.00 177.39 177.04 3ifb n ALA 73 N -3.00 1.94 -1.14 1.96 0.00 -1.26 -4.69 120.51 114.32 3ifb n ALA 73 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3ifb n ALA 73 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.45 3ifb n ALA 73 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3ifb n ASP 74 N 0.67 -0.92 0.13 0.00 8.00 -1.26 -4.99 116.55 118.18 3ifb n ASP 74 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.50 3ifb n ASP 74 Cb 0.22 -0.23 0.00 0.00 -0.02 0.00 0.00 41.12 41.09 3ifb n ASP 74 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3ifb n GLY 75 N -0.24 -0.32 3.82 0.44 0.00 -1.26 -5.09 105.19 102.53 3ifb n GLY 75 Ca 0.00 0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.00 4.09 -0.13 2.61 2.01 -1.26 -4.92 115.64 116.04 3ifb s THR 76 Ca 0.00 1.10 -0.03 0.00 0.31 0.00 0.00 61.69 63.07 3ifb s THR 76 Cb 0.00 -3.52 0.05 0.00 0.01 0.00 0.00 72.50 69.04 3ifb s THR 76 CO 0.00 -0.47 0.06 -1.61 -0.69 0.00 0.00 174.62 171.91 3ifb s GLU 77 N -3.76 0.21 0.23 4.92 2.02 -1.26 -1.81 118.70 119.25 3ifb s GLU 77 Ca 0.63 -0.02 -0.01 0.00 0.02 0.00 0.00 54.97 55.59 3ifb s GLU 77 Cb -0.13 -1.48 -0.04 0.00 0.10 0.00 0.00 34.13 32.57 3ifb s GLU 77 CO 0.28 -0.54 0.44 -0.51 0.02 0.00 0.00 175.26 174.94 3ifb s LEU 78 N 2.07 4.18 0.30 1.80 2.01 -0.89 -3.67 118.68 124.48 3ifb s LEU 78 Ca 0.02 0.47 0.10 0.00 0.01 0.00 0.00 54.13 54.73 3ifb s LEU 78 Cb -0.15 -3.25 -0.05 0.00 0.01 0.00 0.00 46.19 42.75 3ifb s LEU 78 CO -0.07 -0.09 -0.07 -0.60 1.01 0.00 0.00 176.35 176.52 3ifb s ARG 79 N -3.44 1.97 0.00 1.70 6.06 -0.32 -2.03 118.95 122.89 3ifb s ARG 79 Ca 0.40 -1.70 -0.02 0.00 -2.50 0.00 0.00 55.73 51.91 3ifb s ARG 79 Cb -0.11 -1.91 0.01 0.00 0.06 0.00 0.00 34.95 33.00 3ifb s ARG 79 CO 0.30 0.25 0.11 0.41 -2.50 0.00 0.00 175.30 173.87 3ifb n GLY 80 N -0.81 0.81 3.13 8.12 0.00 0.13 0.30 105.19 116.87 3ifb n GLY 80 Ca -0.05 -0.88 -0.09 0.00 0.00 0.00 0.00 46.02 45.00 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 -2.27 0.16 0.08 2.61 -4.23 -0.61 0.34 115.64 111.72 3ifb s THR 81 Ca 0.03 -1.32 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3ifb s THR 81 Cb -0.00 -1.20 -0.03 0.00 1.34 0.00 0.00 72.50 72.61 3ifb s THR 81 CO 0.00 -0.73 -0.21 0.26 -0.54 0.00 0.00 174.62 173.40 3ifb s TRP 82 N -3.34 1.81 -0.31 3.99 0.23 -0.96 -2.03 118.94 118.33 3ifb s TRP 82 Ca 0.01 -0.40 0.02 0.00 -2.03 0.00 0.00 56.10 53.71 3ifb s TRP 82 Cb 0.03 -1.03 0.16 0.00 0.03 0.00 0.00 33.47 32.66 3ifb s TRP 82 CO -0.08 0.16 0.41 0.45 0.96 0.00 0.00 176.95 178.85 3ifb s SER 83 N -1.59 0.50 0.49 2.95 0.15 0.23 -0.69 113.70 115.75 3ifb s SER 83 Ca 0.07 -0.61 -0.20 0.00 0.70 0.00 0.00 55.95 55.91 3ifb s SER 83 Cb -0.09 1.02 -0.08 0.00 -1.71 0.00 0.00 66.02 65.16 3ifb s SER 83 CO 0.03 -0.33 1.04 -0.22 1.20 0.00 0.00 173.24 174.96 3ifb s LEU 84 N 2.33 3.83 0.00 3.45 0.20 -1.26 -2.41 118.68 124.83 3ifb s LEU 84 Ca 0.11 1.94 -0.14 0.00 0.69 0.00 0.00 54.13 56.73 3ifb s LEU 84 Cb -0.12 -4.56 0.02 0.00 -0.43 0.00 0.00 46.19 41.10 3ifb s LEU 84 CO -0.26 -0.81 0.30 -1.83 -0.29 0.00 0.00 176.35 173.46 3ifb s GLU 85 N -3.26 0.70 -0.67 1.98 -1.05 -0.47 -4.91 118.70 111.02 3ifb s GLU 85 Ca 0.67 -0.30 -0.25 0.00 -0.15 0.00 0.00 54.97 54.95 3ifb s GLU 85 Cb -0.17 0.31 -0.21 0.00 -0.44 0.00 0.00 34.13 33.62 3ifb s GLU 85 CO 0.21 -0.20 1.85 0.41 0.95 0.00 0.00 175.26 178.48 3ifb n GLY 86 N 1.08 1.44 0.00 -3.83 0.00 -1.26 -1.56 105.19 101.06 3ifb n GLY 86 Ca -0.21 -0.95 0.00 0.00 0.00 0.00 0.00 46.02 44.87 3ifb n GLY 86 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 3ifb n ASN 87 N 10.34 0.00 -3.54 1.61 2.85 -1.26 -5.17 115.26 120.09 3ifb n ASN 87 Ca 0.47 0.00 -0.07 0.00 -0.11 0.00 0.00 54.58 54.87 3ifb n ASN 87 Cb 0.43 0.00 -0.00 0.00 1.24 0.00 0.00 39.78 41.44 3ifb n ASN 87 CO 0.00 0.00 0.00 -1.59 -2.11 0.00 0.00 177.26 173.56 3ifb s LYS 88 N 0.00 1.84 -0.17 1.20 0.00 -0.60 -4.92 119.74 117.09 3ifb s LYS 88 Ca 0.00 -1.08 -0.28 0.00 0.00 0.00 0.00 55.97 54.61 3ifb s LYS 88 Cb 0.00 0.58 -0.01 0.00 0.00 0.00 0.00 37.83 38.41 3ifb s LYS 88 CO 0.00 -0.85 0.95 -1.17 0.00 0.00 0.00 175.35 174.28 3ifb s LEU 89 N -2.99 4.17 -0.14 2.77 0.20 -0.53 -1.37 118.68 120.80 3ifb s LEU 89 Ca 0.13 1.34 -0.04 0.00 0.69 0.00 0.00 54.13 56.25 3ifb s LEU 89 Cb -0.05 -3.42 -0.03 0.00 -0.43 0.00 0.00 46.19 42.25 3ifb s LEU 89 CO 0.08 -0.50 0.02 -0.63 -0.29 0.00 0.00 176.35 175.03 3ifb s ILE 90 N 2.43 4.45 0.18 6.68 1.01 -1.01 -2.71 121.20 132.22 3ifb s ILE 90 Ca 0.43 -0.17 0.00 0.00 0.00 0.00 0.00 60.65 60.91 3ifb s ILE 90 Cb -0.17 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.32 3ifb s ILE 90 CO 0.12 0.53 0.07 -0.83 0.00 0.00 0.00 174.94 174.83 3ifb s GLY 91 N -0.19 1.29 -0.25 6.18 0.00 -0.47 -0.60 107.32 113.28 3ifb s GLY 91 Ca 0.06 -1.63 -0.02 0.00 0.00 0.00 0.00 44.72 43.13 3ifb s GLY 91 CO 0.02 -1.46 0.32 1.25 0.00 0.00 0.00 173.10 173.23 3ifb s LYS 92 N -4.04 0.31 0.42 2.90 2.36 -0.86 -2.05 119.74 118.78 3ifb s LYS 92 Ca 0.30 0.24 0.08 0.00 -2.55 0.00 0.00 55.97 54.03 3ifb s LYS 92 Cb 0.07 -0.70 -0.03 0.00 -1.05 0.00 0.00 37.83 36.13 3ifb s LYS 92 CO 0.07 -0.78 0.33 -0.06 1.55 0.00 0.00 175.35 176.45 3ifb s PHE 93 N 2.44 2.65 -0.06 4.03 0.40 0.22 -1.58 117.98 126.09 3ifb s PHE 93 Ca 0.10 -0.53 -0.07 0.00 -0.60 0.00 0.00 56.93 55.83 3ifb s PHE 93 Cb -0.15 -2.11 0.02 0.00 0.51 0.00 0.00 43.02 41.29 3ifb s PHE 93 CO -0.21 -0.05 0.20 0.21 0.70 0.00 0.00 175.22 176.07 3ifb s LYS 94 N -4.07 0.29 -0.89 0.44 2.20 0.15 -0.68 119.74 117.17 3ifb s LYS 94 Ca 0.46 0.17 -0.25 0.00 -0.36 0.00 0.00 55.97 55.99 3ifb s LYS 94 Cb -0.01 0.13 0.03 0.00 -1.51 0.00 0.00 37.83 36.47 3ifb s LYS 94 CO 0.26 -0.05 1.48 1.03 -0.36 0.00 0.00 175.35 177.72 3ifb s ARG 95 N -0.16 3.27 0.50 4.03 0.52 -0.28 -1.18 118.95 125.67 3ifb s ARG 95 Ca -0.03 -0.61 0.22 0.00 -0.52 0.00 0.00 55.73 54.79 3ifb s ARG 95 Cb -0.02 -4.88 1.21 0.00 0.52 0.00 0.00 34.95 31.78 3ifb s ARG 95 CO 0.01 -2.36 1.64 0.00 0.02 0.00 0.00 175.30 174.60 3ifb h THR 96 N 6.61 0.00 -1.41 0.02 1.03 -1.85 -2.86 112.91 114.45 3ifb h THR 96 Ca 0.00 0.00 -0.61 0.00 -0.01 0.00 0.00 66.41 65.79 3ifb h THR 96 Cb 1.03 0.49 -0.40 0.00 -1.07 0.00 0.00 68.15 68.21 3ifb h THR 96 CO 1.34 0.00 -0.47 -0.67 -0.01 0.00 0.00 175.52 175.72 3ifb n ASP 97 N -2.50 5.21 0.01 0.00 2.03 -1.26 -4.78 116.55 115.26 3ifb n ASP 97 Ca -0.01 -3.74 0.00 0.00 0.52 0.00 0.00 54.79 51.55 3ifb n ASP 97 Cb 0.34 -0.53 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 3ifb n ASP 97 CO 0.00 0.00 0.00 -3.20 -1.92 0.00 0.00 177.20 172.08 3ifb n ASN 98 N -0.55 -0.12 0.00 1.67 2.85 -1.09 -5.08 115.26 112.94 3ifb n ASN 98 Ca 0.43 0.03 0.00 0.00 -0.11 0.00 0.00 54.58 54.93 3ifb n ASN 98 Cb 0.67 0.42 0.00 0.00 1.24 0.00 0.00 39.78 42.11 3ifb n ASN 98 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3ifb n GLY 99 N -1.31 0.70 0.00 8.20 0.00 -1.17 -5.12 105.19 106.47 3ifb n GLY 99 Ca 0.00 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.53 3ifb n GLY 99 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3ifb n ASN 100 N 0.00 0.00 -3.52 1.61 6.94 -1.26 -5.06 115.26 113.97 3ifb n ASN 100 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.43 3ifb n ASN 100 Cb 0.00 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.37 3ifb n ASN 100 CO 0.00 0.00 0.00 -1.83 -1.03 0.00 0.00 177.26 174.40 3ifb s GLU 101 N -2.00 1.75 -0.03 -3.83 1.03 -1.26 -1.12 118.70 113.24 3ifb s GLU 101 Ca 0.00 -1.64 0.03 0.00 0.03 0.00 0.00 54.97 53.39 3ifb s GLU 101 Cb 0.00 0.43 -0.00 0.00 -0.80 0.00 0.00 34.13 33.75 3ifb s GLU 101 CO 0.00 -0.71 -0.12 -1.17 -1.33 0.00 0.00 175.26 171.93 3ifb s LEU 102 N -3.19 1.87 -0.33 1.83 2.96 0.14 -2.85 118.68 119.11 3ifb s LEU 102 Ca 0.30 -0.24 -0.09 0.00 -0.22 0.00 0.00 54.13 53.88 3ifb s LEU 102 Cb 0.00 -0.69 0.01 0.00 0.50 0.00 0.00 46.19 46.02 3ifb s LEU 102 CO 0.17 0.11 0.15 0.20 -1.32 0.00 0.00 176.35 175.66 3ifb s ASN 103 N 0.06 5.50 0.17 3.68 0.01 -0.01 0.73 114.94 125.08 3ifb s ASN 103 Ca -0.02 -0.78 0.04 0.00 -0.71 0.00 0.00 52.86 51.40 3ifb s ASN 103 Cb -0.09 -1.97 -0.04 0.00 0.41 0.00 0.00 41.25 39.56 3ifb s ASN 103 CO 0.01 -0.27 0.20 0.42 -1.51 0.00 0.00 177.10 175.95 3ifb s THR 104 N 1.55 4.80 0.04 1.60 -4.23 -0.87 -1.08 115.64 117.44 3ifb s THR 104 Ca 0.03 -0.97 0.03 0.00 -1.18 0.00 0.00 61.69 59.59 3ifb s THR 104 Cb -0.18 -3.48 -0.02 0.00 1.34 0.00 0.00 72.50 70.16 3ifb s THR 104 CO 0.05 -0.13 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.22 3ifb s VAL 105 N -1.79 0.66 -0.06 2.29 1.01 -0.71 -1.37 120.40 120.42 3ifb s VAL 105 Ca 0.32 -0.96 0.00 0.00 0.00 0.00 0.00 61.98 61.34 3ifb s VAL 105 Cb -0.10 -0.67 0.02 0.00 0.00 0.00 0.00 36.38 35.63 3ifb s VAL 105 CO 0.25 -0.24 -0.04 -0.13 0.00 0.00 0.00 175.10 174.95 3ifb s ARG 106 N -1.31 0.88 0.19 2.72 0.52 -1.10 -2.38 118.95 118.47 3ifb s ARG 106 Ca -0.06 -0.06 -0.23 0.00 -0.52 0.00 0.00 55.73 54.86 3ifb s ARG 106 Cb -0.08 -1.01 0.05 0.00 0.52 0.00 0.00 34.95 34.43 3ifb s ARG 106 CO 0.01 -0.18 0.70 -1.83 0.02 0.00 0.00 175.30 174.02 3ifb s GLU 107 N 1.38 1.43 0.09 3.54 -1.05 -0.89 -1.45 118.70 121.75 3ifb s GLU 107 Ca -0.04 -0.67 0.10 0.00 -0.15 0.00 0.00 54.97 54.21 3ifb s GLU 107 Cb -0.13 0.57 -0.04 0.00 -0.44 0.00 0.00 34.13 34.09 3ifb s GLU 107 CO -0.03 -0.64 -0.25 0.96 0.95 0.00 0.00 175.26 176.25 3ifb s ILE 108 N -3.73 2.32 0.55 1.83 -4.36 -1.26 -0.65 121.20 115.91 3ifb s ILE 108 Ca 0.06 -1.55 0.04 0.00 -0.26 0.00 0.00 60.65 58.95 3ifb s ILE 108 Cb -0.03 -1.98 0.04 0.00 1.25 0.00 0.00 42.46 41.73 3ifb s ILE 108 CO -0.04 0.21 0.35 0.27 0.24 0.00 0.00 174.94 175.98 3ifb s ILE 109 N -0.96 1.47 0.00 8.37 -4.36 0.32 -4.95 121.20 121.08 3ifb s ILE 109 Ca 0.14 -1.57 0.00 0.00 -0.26 0.00 0.00 60.65 58.95 3ifb s ILE 109 Cb -0.10 -2.04 0.00 0.00 1.25 0.00 0.00 42.46 41.57 3ifb s ILE 109 CO 0.05 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.84 3ifb n GLY 110 N -1.73 0.00 1.48 6.27 0.00 -1.26 -1.31 105.19 108.65 3ifb n GLY 110 Ca -0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.94 3ifb n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 3ifb n ASP 111 N 0.00 -0.25 -4.13 1.61 2.03 -1.26 -5.10 116.55 109.45 3ifb n ASP 111 Ca 0.00 -2.03 -0.24 0.00 0.52 0.00 0.00 54.79 53.04 3ifb n ASP 111 Cb 0.00 0.10 -0.15 0.00 -0.72 0.00 0.00 41.12 40.35 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 3ifb s GLU 112 N -0.26 1.36 0.17 -0.67 8.01 -0.43 -4.56 118.70 122.32 3ifb s GLU 112 Ca 0.14 -0.56 -0.15 0.00 0.01 0.00 0.00 54.97 54.41 3ifb s GLU 112 Cb 0.20 -1.28 -0.07 0.00 -4.31 0.00 0.00 34.13 28.66 3ifb s GLU 112 CO -0.07 0.31 0.58 -1.17 0.01 0.00 0.00 175.26 174.92 3ifb s LEU 113 N -0.25 4.33 0.17 1.80 0.20 -0.56 -0.52 118.68 123.85 3ifb s LEU 113 Ca 0.03 1.14 0.07 0.00 0.69 0.00 0.00 54.13 56.06 3ifb s LEU 113 Cb -0.07 -3.35 -0.04 0.00 -0.43 0.00 0.00 46.19 42.29 3ifb s LEU 113 CO 0.00 0.08 -0.15 0.54 -0.29 0.00 0.00 176.35 176.53 3ifb s VAL 114 N -1.49 1.58 0.12 1.68 0.11 0.17 -1.12 120.40 121.45 3ifb s VAL 114 Ca 0.39 -2.01 0.03 0.00 -2.93 0.00 0.00 61.98 57.47 3ifb s VAL 114 Cb -0.15 -1.85 -0.04 0.00 -1.53 0.00 0.00 36.38 32.81 3ifb s VAL 114 CO 0.19 -0.51 -0.09 -1.10 -3.33 0.00 0.00 175.10 170.26 3ifb s GLN 115 N -3.24 0.93 -0.24 1.54 1.11 0.30 -2.10 119.66 117.97 3ifb s GLN 115 Ca 0.17 -1.32 -0.03 0.00 0.01 0.00 0.00 55.36 54.19 3ifb s GLN 115 Cb -0.02 -0.48 0.08 0.00 -1.01 0.00 0.00 33.01 31.57 3ifb s GLN 115 CO 0.05 0.05 0.08 0.95 0.01 0.00 0.00 175.29 176.43 3ifb s THR 116 N -3.09 0.34 -0.48 -0.19 -4.23 -1.00 -2.21 115.64 104.77 3ifb s THR 116 Ca 0.11 -0.70 -0.14 0.00 -1.18 0.00 0.00 61.69 59.78 3ifb s THR 116 Cb 0.01 -1.06 0.09 0.00 1.34 0.00 0.00 72.50 72.88 3ifb s THR 116 CO -0.01 -0.44 0.40 -0.31 -0.54 0.00 0.00 174.62 173.71 3ifb s TYR 117 N 1.92 3.27 -0.32 3.99 1.51 -0.41 -1.74 117.35 125.57 3ifb s TYR 117 Ca 0.04 -1.14 -0.15 0.00 -1.01 0.00 0.00 57.07 54.81 3ifb s TYR 117 Cb -0.17 -3.29 -0.02 0.00 -0.11 0.00 0.00 41.96 38.37 3ifb s TYR 117 CO -0.19 -0.86 0.38 0.08 -1.11 0.00 0.00 175.55 173.85 3ifb s VAL 118 N 1.59 5.15 -0.38 0.71 1.01 -0.24 -0.95 120.40 127.28 3ifb s VAL 118 Ca 0.04 0.23 -0.02 0.00 0.00 0.00 0.00 61.98 62.23 3ifb s VAL 118 Cb -0.25 -3.80 0.10 0.00 0.00 0.00 0.00 36.38 32.42 3ifb s VAL 118 CO 0.05 -0.04 0.14 -0.31 0.00 0.00 0.00 175.10 174.94 3ifb s TYR 119 N 2.08 3.55 0.00 5.22 1.51 -0.22 -0.83 117.35 128.66 3ifb s TYR 119 Ca 0.13 -2.38 0.00 0.00 -1.01 0.00 0.00 57.07 53.81 3ifb s TYR 119 Cb -0.16 -2.97 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 3ifb s TYR 119 CO 0.11 -0.94 0.00 0.39 -1.11 0.00 0.00 175.55 174.01 3ifb n GLU 120 N 4.56 -0.93 0.00 -0.62 -0.58 -1.13 -1.92 120.64 120.01 3ifb n GLU 120 Ca -0.04 0.20 0.00 0.00 -0.42 0.00 0.00 57.16 56.91 3ifb n GLU 120 Cb 0.42 -4.31 0.00 0.00 -0.57 0.00 0.00 31.44 26.98 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 121 N -0.44 1.28 3.77 0.62 0.00 -1.26 -5.11 105.19 104.04 3ifb n GLY 121 Ca 0.00 -0.04 -0.37 0.00 0.00 0.00 0.00 46.02 45.61 3ifb n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 122 N 0.00 2.97 -0.16 1.61 1.01 -0.81 -5.02 120.40 120.01 3ifb s VAL 122 Ca 0.00 0.74 0.01 0.00 0.00 0.00 0.00 61.98 62.74 3ifb s VAL 122 Cb 0.00 -3.38 0.01 0.00 0.00 0.00 0.00 36.38 33.01 3ifb s VAL 122 CO 0.00 0.00 -0.19 -1.83 0.00 0.00 0.00 175.10 173.08 3ifb s GLU 123 N -2.67 3.07 0.44 2.72 -1.05 -1.26 -1.05 118.70 118.90 3ifb s GLU 123 Ca 0.64 -0.81 0.06 0.00 -0.15 0.00 0.00 54.97 54.70 3ifb s GLU 123 Cb -0.30 -2.54 -0.06 0.00 -0.44 0.00 0.00 34.13 30.79 3ifb s GLU 123 CO 0.37 -0.06 0.05 0.00 0.95 0.00 0.00 175.26 176.56 3ifb s ALA 124 N 0.96 3.49 -0.22 -0.84 0.00 -0.13 -4.73 121.76 120.29 3ifb s ALA 124 Ca -0.03 -1.81 -0.27 0.00 0.00 0.00 0.00 51.96 49.86 3ifb s ALA 124 Cb -0.15 0.03 0.08 0.00 0.00 0.00 0.00 23.12 23.08 3ifb s ALA 124 CO -0.04 -0.11 0.75 0.21 0.00 0.00 0.00 175.76 176.57 3ifb s LYS 125 N -3.80 0.84 -0.01 0.00 2.20 -1.22 -1.28 119.74 116.48 3ifb s LYS 125 Ca 0.29 0.76 0.04 0.00 -0.36 0.00 0.00 55.97 56.70 3ifb s LYS 125 Cb 0.07 0.41 -0.01 0.00 -1.51 0.00 0.00 37.83 36.79 3ifb s LYS 125 CO 0.15 -0.15 -0.12 1.03 -0.36 0.00 0.00 175.35 175.91 3ifb s ARG 126 N -0.04 0.94 -0.08 4.03 1.81 -0.94 -2.51 118.95 122.15 3ifb s ARG 126 Ca -0.02 -0.43 0.02 0.00 -1.72 0.00 0.00 55.73 53.57 3ifb s ARG 126 Cb -0.04 -0.91 -0.02 0.00 -0.45 0.00 0.00 34.95 33.53 3ifb s ARG 126 CO 0.02 0.25 -0.12 0.42 -0.68 0.00 0.00 175.30 175.19 3ifb s ILE 127 N -0.30 3.21 0.01 1.52 -1.09 -0.82 -0.54 121.20 123.19 3ifb s ILE 127 Ca 0.04 -0.64 0.04 0.00 -2.23 0.00 0.00 60.65 57.86 3ifb s ILE 127 Cb -0.05 -2.30 -0.01 0.00 -1.58 0.00 0.00 42.46 38.52 3ifb s ILE 127 CO -0.00 0.57 -0.11 -0.36 -1.23 0.00 0.00 174.94 173.80 3ifb s PHE 128 N -0.34 1.01 0.34 3.97 0.40 -0.27 0.52 117.98 123.61 3ifb s PHE 128 Ca 0.04 -0.24 0.05 0.00 -0.60 0.00 0.00 56.93 56.18 3ifb s PHE 128 Cb -0.13 -0.64 -0.07 0.00 0.51 0.00 0.00 43.02 42.70 3ifb s PHE 128 CO 0.02 -0.01 0.02 0.15 0.70 0.00 0.00 175.22 176.11 3ifb s LYS 129 N -0.52 1.72 0.43 0.44 3.01 -0.70 -1.50 119.74 122.62 3ifb s LYS 129 Ca 0.03 -1.95 0.07 0.00 -1.01 0.00 0.00 55.97 53.11 3ifb s LYS 129 Cb -0.05 -1.14 -0.03 0.00 -1.01 0.00 0.00 37.83 35.59 3ifb s LYS 129 CO 0.00 -0.11 0.25 -1.59 0.51 0.00 0.00 175.35 174.41 3ifb s LYS 130 N -3.81 2.31 0.00 1.68 -2.85 -1.26 0.52 119.74 116.33 3ifb s LYS 130 Ca 0.35 -1.80 0.00 0.00 -1.00 0.00 0.00 55.97 53.52 3ifb s LYS 130 Cb 0.08 -2.08 0.00 0.00 -2.06 0.00 0.00 37.83 33.77 3ifb s LYS 130 CO 0.16 -0.19 0.00 -3.47 0.10 0.00 0.00 175.35 171.94