#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3ifb s PHE 2 N 0.00 2.00 -0.37 0.00 0.08 -1.26 -4.58 117.98 113.84 3ifb s PHE 2 Ca 0.00 1.15 -0.11 0.00 0.12 0.00 0.00 56.93 58.09 3ifb s PHE 2 Cb 0.00 -3.20 0.01 0.00 -0.57 0.00 0.00 43.02 39.26 3ifb s PHE 2 CO 0.00 -2.93 0.43 -3.47 -0.10 0.00 0.00 175.22 169.15 3ifb n ASP 3 N -4.24 -7.58 -3.65 1.36 -0.08 -1.26 -5.07 116.55 96.04 3ifb n ASP 3 Ca 0.06 0.70 -0.11 0.00 -1.51 0.00 0.00 54.79 53.92 3ifb n ASP 3 Cb 0.56 -5.09 -0.05 0.00 2.34 0.00 0.00 41.12 38.87 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 -2.27 -0.26 -0.88 1.67 0.01 -1.12 -4.98 113.70 105.87 3ifb s SER 4 Ca 0.18 -0.18 -0.25 0.00 1.31 0.00 0.00 55.95 57.01 3ifb s SER 4 Cb -0.05 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.67 3ifb s SER 4 CO 0.72 -0.77 1.40 -0.89 0.41 0.00 0.00 173.24 174.11 3ifb s THR 5 N -3.22 3.80 0.79 1.44 2.01 -1.26 -3.14 115.64 116.07 3ifb s THR 5 Ca -0.01 -0.19 -0.12 0.00 0.31 0.00 0.00 61.69 61.69 3ifb s THR 5 Cb 0.01 -4.93 0.07 0.00 0.01 0.00 0.00 72.50 67.65 3ifb s THR 5 CO -0.08 -1.84 1.10 0.26 -0.69 0.00 0.00 174.62 173.37 3ifb s TRP 6 N 5.60 2.88 -0.14 4.92 0.52 -0.23 -0.43 118.94 132.05 3ifb s TRP 6 Ca 0.42 1.10 -0.08 0.00 0.02 0.00 0.00 56.10 57.56 3ifb s TRP 6 Cb -0.04 -3.14 0.05 0.00 -1.15 0.00 0.00 33.47 29.18 3ifb s TRP 6 CO 0.02 -1.73 0.34 0.21 0.02 0.00 0.00 176.95 175.82 3ifb s LYS 7 N -5.21 0.33 0.47 4.98 2.36 -0.42 -2.77 119.74 119.49 3ifb s LYS 7 Ca 0.61 0.65 -0.15 0.00 -2.55 0.00 0.00 55.97 54.53 3ifb s LYS 7 Cb -0.14 -0.02 -0.13 0.00 -1.05 0.00 0.00 37.83 36.49 3ifb s LYS 7 CO 0.54 -0.14 -0.17 0.28 1.55 0.00 0.00 175.35 177.40 3ifb n VAL 8 N 4.02 0.00 0.09 4.02 0.31 -0.86 -1.17 118.33 124.75 3ifb n VAL 8 Ca -0.22 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.68 3ifb n VAL 8 Cb 0.55 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.48 3ifb n VAL 8 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 3ifb n ASP 9 N 2.22 0.23 -4.21 4.52 2.03 -0.38 -4.48 116.55 116.49 3ifb n ASP 9 Ca 0.06 0.29 -0.17 0.00 0.52 0.00 0.00 54.79 55.49 3ifb n ASP 9 Cb 0.41 0.12 -0.10 0.00 -0.72 0.00 0.00 41.12 40.82 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 -1.79 1.46 0.10 -0.67 1.81 -1.12 -4.98 118.95 113.76 3ifb s ARG 10 Ca 0.00 -1.81 -0.14 0.00 -1.72 0.00 0.00 55.73 52.06 3ifb s ARG 10 Cb 0.00 -0.18 0.02 0.00 -0.45 0.00 0.00 34.95 34.34 3ifb s ARG 10 CO 0.00 -0.35 0.33 -1.54 -0.68 0.00 0.00 175.30 173.06 3ifb s SER 11 N -3.33 -0.13 -0.03 0.23 1.04 -1.26 -2.53 113.70 107.70 3ifb s SER 11 Ca 0.37 -0.36 -0.05 0.00 0.48 0.00 0.00 55.95 56.38 3ifb s SER 11 Cb 0.07 0.42 0.01 0.00 0.10 0.00 0.00 66.02 66.61 3ifb s SER 11 CO 0.15 -0.78 0.12 -1.83 0.98 0.00 0.00 173.24 171.89 3ifb s GLU 12 N -3.56 0.30 -1.46 4.02 -1.05 -1.17 -4.85 118.70 110.93 3ifb s GLU 12 Ca 0.02 -0.10 -0.19 0.00 -0.15 0.00 0.00 54.97 54.56 3ifb s GLU 12 Cb 0.02 0.13 0.19 0.00 -0.44 0.00 0.00 34.13 34.02 3ifb s GLU 12 CO -0.10 -0.06 0.46 -1.71 0.95 0.00 0.00 175.26 174.81 3ifb n ASN 13 N 2.30 -1.53 -0.09 0.83 5.15 -1.26 -3.75 115.26 116.92 3ifb n ASN 13 Ca -0.17 -0.91 -0.16 0.00 -0.60 0.00 0.00 54.58 52.74 3ifb n ASN 13 Cb 0.57 -1.35 -0.09 0.00 -0.53 0.00 0.00 39.78 38.39 3ifb n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 3ifb h TYR 14 N -0.67 0.00 -0.70 1.20 3.20 -1.89 -0.76 116.97 117.34 3ifb h TYR 14 Ca -0.46 0.00 -0.02 0.00 3.14 0.00 0.00 58.73 61.38 3ifb h TYR 14 Cb 1.19 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 39.42 3ifb h TYR 14 CO 0.65 1.01 0.34 -0.44 -1.64 0.00 0.00 178.16 178.08 3ifb h ASP 15 N -1.00 0.90 0.27 -2.11 3.32 -1.96 0.74 116.42 116.57 3ifb h ASP 15 Ca -0.20 -0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.75 3ifb h ASP 15 Cb 1.01 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 40.33 3ifb h ASP 15 CO -0.12 0.76 -0.19 0.11 -1.72 0.00 0.00 179.24 178.07 3ifb h LYS 16 N 0.99 -0.44 -0.88 3.56 1.79 -1.94 -0.62 116.57 119.03 3ifb h LYS 16 Ca 0.24 0.03 0.19 0.00 -2.18 0.00 0.00 60.65 58.94 3ifb h LYS 16 Cb 0.10 0.10 -0.06 0.00 -1.58 0.00 0.00 32.23 30.78 3ifb h LYS 16 CO -0.03 -0.29 0.58 0.35 -1.08 0.00 0.00 179.45 178.97 3ifb h PHE 17 N -0.46 0.53 -0.47 -1.35 3.04 -0.34 0.40 116.94 118.29 3ifb h PHE 17 Ca -0.02 0.02 -0.08 0.00 3.98 0.00 0.00 57.97 61.87 3ifb h PHE 17 Cb 0.39 -0.16 -0.02 0.00 2.56 0.00 0.00 35.95 38.73 3ifb h PHE 17 CO -0.11 0.15 -0.01 0.52 -2.02 0.00 0.00 178.31 176.85 3ifb h MET 18 N 0.41 0.84 -0.43 1.11 2.86 -0.13 0.18 114.93 119.76 3ifb h MET 18 Ca 0.45 -0.27 0.01 0.00 -2.06 0.00 0.00 59.70 57.83 3ifb h MET 18 Cb 1.12 -0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.68 3ifb h MET 18 CO -0.16 0.89 0.28 1.49 1.06 0.00 0.00 176.91 180.46 3ifb h GLU 19 N 0.69 0.56 -0.07 1.72 4.81 0.11 -0.66 114.58 121.74 3ifb h GLU 19 Ca 0.13 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.08 3ifb h GLU 19 Cb 0.51 -0.13 0.02 0.00 0.63 0.00 0.00 28.75 29.78 3ifb h GLU 19 CO 0.03 0.37 -0.92 0.87 -0.73 0.00 0.00 179.01 178.62 3ifb h LYS 20 N 0.58 0.75 0.00 1.92 1.79 -0.31 -3.03 116.57 118.26 3ifb h LYS 20 Ca 0.16 -0.71 0.00 0.00 -2.18 0.00 0.00 60.65 57.93 3ifb h LYS 20 Cb -0.06 0.18 0.00 0.00 -1.58 0.00 0.00 32.23 30.77 3ifb h LYS 20 CO -0.04 1.29 0.00 0.00 -1.08 0.00 0.00 179.45 179.62 3ifb h MET 21 N 0.46 0.00 -0.38 3.15 -0.00 -0.67 -3.45 114.93 114.04 3ifb h MET 21 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 59.70 59.61 3ifb h MET 21 Cb 1.56 0.00 0.00 0.00 -0.00 0.00 0.00 31.60 33.16 3ifb h MET 21 CO 0.18 0.00 0.00 0.41 -0.00 0.00 0.00 176.91 177.50 3ifb n GLY 22 N -0.77 0.87 3.66 -3.00 0.00 -1.14 -5.09 105.19 99.71 3ifb n GLY 22 Ca -0.01 -0.19 -0.35 0.00 0.00 0.00 0.00 46.02 45.47 3ifb n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3ifb s VAL 23 N -2.14 4.56 0.53 1.61 1.01 -0.26 -5.07 120.40 120.65 3ifb s VAL 23 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 61.98 61.76 3ifb s VAL 23 Cb 0.00 -2.99 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 3ifb s VAL 23 CO 0.00 0.54 0.89 0.21 0.00 0.00 0.00 175.10 176.74 3ifb s ASN 24 N -0.28 6.30 0.28 3.32 2.47 -1.26 -4.29 114.94 121.49 3ifb s ASN 24 Ca 0.07 1.19 0.02 0.00 0.42 0.00 0.00 52.86 54.56 3ifb s ASN 24 Cb -0.12 -2.36 0.63 0.00 -1.45 0.00 0.00 41.25 37.94 3ifb s ASN 24 CO 0.02 -0.67 1.77 -0.29 -3.72 0.00 0.00 177.10 174.20 3ifb h ILE 25 N 0.16 0.72 -0.15 -5.21 2.10 -1.98 0.33 117.51 113.48 3ifb h ILE 25 Ca -0.46 -0.24 -0.05 0.00 1.08 0.00 0.00 64.86 65.20 3ifb h ILE 25 Cb 1.20 -0.04 -0.01 0.00 -1.09 0.00 0.00 36.82 36.88 3ifb h ILE 25 CO 0.62 0.13 -0.11 0.58 -1.08 0.00 0.00 178.15 178.28 3ifb h VAL 26 N 0.70 1.17 0.00 2.19 2.07 -2.01 -0.56 116.25 119.81 3ifb h VAL 26 Ca 0.52 -0.73 -0.18 0.00 0.82 0.00 0.00 66.70 67.12 3ifb h VAL 26 Cb 0.76 1.18 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 3ifb h VAL 26 CO -0.37 0.23 -0.87 0.11 0.02 0.00 0.00 177.57 176.68 3ifb h LYS 27 N 0.22 0.00 0.16 1.57 6.56 -0.89 -3.31 116.57 120.88 3ifb h LYS 27 Ca 0.05 0.00 -0.01 0.00 -1.06 0.00 0.00 60.65 59.63 3ifb h LYS 27 Cb 0.34 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.01 3ifb h LYS 27 CO 0.02 0.87 -0.08 0.00 -2.06 0.00 0.00 179.45 178.21 3ifb h ARG 28 N 0.00 -0.21 -0.93 3.15 3.08 0.90 0.73 114.38 121.10 3ifb h ARG 28 Ca -0.01 0.01 0.11 0.00 0.07 0.00 0.00 59.98 60.17 3ifb h ARG 28 Cb 1.64 0.05 -0.07 0.00 0.08 0.00 0.00 29.97 31.67 3ifb h ARG 28 CO 0.11 -0.03 0.59 1.57 -1.07 0.00 0.00 179.97 181.15 3ifb h LYS 29 N -0.36 0.86 0.02 0.04 5.09 -1.36 0.33 116.57 121.19 3ifb h LYS 29 Ca -0.02 -0.05 -0.21 0.00 0.09 0.00 0.00 60.65 60.46 3ifb h LYS 29 Cb 0.28 -0.19 -0.01 0.00 0.10 0.00 0.00 32.23 32.40 3ifb h LYS 29 CO 0.04 0.57 -0.95 1.37 -2.09 0.00 0.00 179.45 178.39 3ifb h LEU 30 N 0.89 0.18 -0.64 7.07 8.10 -1.63 -3.24 115.31 126.04 3ifb h LEU 30 Ca 0.44 -0.17 0.06 0.00 0.11 0.00 0.00 57.88 58.33 3ifb h LEU 30 Cb 0.48 -0.06 -0.05 0.00 -0.44 0.00 0.00 40.66 40.59 3ifb h LEU 30 CO -0.21 1.03 0.35 0.00 -4.11 0.00 0.00 178.44 175.50 3ifb h ALA 31 N 0.96 0.86 -0.91 0.17 0.00 0.20 0.50 119.26 121.02 3ifb h ALA 31 Ca -0.04 0.02 0.21 0.00 0.00 0.00 0.00 54.91 55.10 3ifb h ALA 31 Cb 1.62 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 19.24 3ifb h ALA 31 CO 0.14 0.02 0.61 0.00 0.00 0.00 0.00 179.25 180.01 3ifb h ALA 32 N 1.34 2.25 -1.06 0.00 0.00 -0.91 -1.77 119.26 119.12 3ifb h ALA 32 Ca 0.29 0.02 -0.51 0.00 0.00 0.00 0.00 54.91 54.71 3ifb h ALA 32 Cb 0.19 -0.01 -0.42 0.00 0.00 0.00 0.00 17.79 17.55 3ifb h ALA 32 CO -0.19 -0.55 -0.86 0.72 0.00 0.00 0.00 179.25 178.37 3ifb n HIS 33 N -4.50 2.66 0.12 0.00 8.25 -0.12 -4.79 115.22 116.83 3ifb n HIS 33 Ca 0.20 -2.64 -0.19 0.00 -0.26 0.00 0.00 57.72 54.82 3ifb n HIS 33 Cb 0.73 -0.23 -0.14 0.00 1.12 0.00 0.00 29.99 31.48 3ifb n HIS 33 CO 0.00 0.00 0.00 0.38 0.64 0.00 0.00 176.34 177.36 3ifb h ASP 34 N 2.49 0.62 -4.42 0.41 2.03 0.84 -3.48 116.42 114.90 3ifb h ASP 34 Ca 0.23 -0.64 0.00 0.00 -0.73 0.00 0.00 57.03 55.89 3ifb h ASP 34 Cb 1.22 -0.20 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 3ifb h ASP 34 CO 0.70 1.49 -0.06 0.59 -1.03 0.00 0.00 179.24 180.93 3ifb n ASN 35 N -3.63 -5.52 -4.80 4.15 5.03 -1.26 -3.46 115.26 105.78 3ifb n ASN 35 Ca -0.12 0.03 -0.38 0.00 0.87 0.00 0.00 54.58 54.99 3ifb n ASN 35 Cb 1.04 -3.61 -0.06 0.00 -1.02 0.00 0.00 39.78 36.12 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 -2.97 4.45 0.23 3.41 1.98 -1.26 -4.49 118.68 120.04 3ifb s LEU 36 Ca 0.03 1.54 0.05 0.00 -2.89 0.00 0.00 54.13 52.85 3ifb s LEU 36 Cb -0.01 -3.47 -0.05 0.00 0.66 0.00 0.00 46.19 43.32 3ifb s LEU 36 CO 0.45 0.11 -0.03 -1.59 -1.89 0.00 0.00 176.35 173.40 3ifb s LYS 37 N -1.60 1.36 -0.22 1.98 -2.85 -0.45 -2.03 119.74 115.93 3ifb s LYS 37 Ca 0.40 -1.68 -0.03 0.00 -1.00 0.00 0.00 55.97 53.66 3ifb s LYS 37 Cb -0.20 -0.77 0.10 0.00 -2.06 0.00 0.00 37.83 34.90 3ifb s LYS 37 CO 0.23 -0.04 0.23 -1.17 0.10 0.00 0.00 175.35 174.71 3ifb s LEU 38 N -3.33 -0.12 -0.78 2.77 1.98 -1.12 -2.10 118.68 115.99 3ifb s LEU 38 Ca 0.27 -0.32 -0.17 0.00 -2.89 0.00 0.00 54.13 51.02 3ifb s LEU 38 Cb 0.05 0.40 0.15 0.00 0.66 0.00 0.00 46.19 47.45 3ifb s LEU 38 CO 0.09 -0.34 0.87 -0.89 -1.89 0.00 0.00 176.35 174.19 3ifb s THR 39 N 2.33 5.03 0.36 3.68 2.01 -1.07 -1.07 115.64 126.91 3ifb s THR 39 Ca 0.08 -1.65 -0.16 0.00 0.31 0.00 0.00 61.69 60.26 3ifb s THR 39 Cb -0.15 -4.58 -0.09 0.00 0.01 0.00 0.00 72.50 67.68 3ifb s THR 39 CO -0.16 -1.23 0.80 -0.51 -0.69 0.00 0.00 174.62 172.83 3ifb s ILE 40 N 1.91 4.60 -0.27 1.82 2.07 -1.19 -2.76 121.20 127.38 3ifb s ILE 40 Ca 0.21 1.09 -0.25 0.00 -1.41 0.00 0.00 60.65 60.28 3ifb s ILE 40 Cb -0.13 -3.61 0.09 0.00 0.13 0.00 0.00 42.46 38.94 3ifb s ILE 40 CO -0.04 -0.24 0.84 -0.89 -1.91 0.00 0.00 174.94 172.70 3ifb s THR 41 N -2.06 0.00 0.33 4.00 2.01 -0.50 -2.80 115.64 116.62 3ifb s THR 41 Ca 0.56 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 62.42 3ifb s THR 41 Cb -0.10 -1.00 -0.08 0.00 0.01 0.00 0.00 72.50 71.33 3ifb s THR 41 CO 0.17 0.00 0.73 -1.10 -0.69 0.00 0.00 174.62 173.73 3ifb s GLN 42 N 0.27 3.96 0.17 4.92 -1.52 -1.26 -0.57 119.66 125.62 3ifb s GLN 42 Ca 0.01 0.62 0.04 0.00 -1.95 0.00 0.00 55.36 54.08 3ifb s GLN 42 Cb -0.05 -2.43 -0.01 0.00 -0.22 0.00 0.00 33.01 30.30 3ifb s GLN 42 CO -0.01 0.13 0.14 0.39 -0.25 0.00 0.00 175.29 175.68 3ifb n GLU 43 N -0.51 0.23 -1.52 2.91 -0.58 0.16 -4.87 120.64 116.46 3ifb n GLU 43 Ca 0.03 -1.65 -0.28 0.00 -0.42 0.00 0.00 57.16 54.85 3ifb n GLU 43 Cb 0.53 1.33 -0.14 0.00 -0.57 0.00 0.00 31.44 32.60 3ifb n GLU 43 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3ifb n GLY 44 N -0.27 -0.31 3.96 0.62 0.00 -1.26 -1.69 105.19 106.25 3ifb n GLY 44 Ca 0.04 0.49 -0.37 0.00 0.00 0.00 0.00 46.02 46.17 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 11.51 -3.41 -3.64 1.61 5.15 -1.26 -4.98 115.26 120.25 3ifb n ASN 45 Ca 0.58 -1.17 -0.05 0.00 -0.60 0.00 0.00 54.58 53.34 3ifb n ASN 45 Cb 0.24 -2.42 -0.07 0.00 -0.53 0.00 0.00 39.78 37.01 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 -6.84 0.58 -0.80 1.20 2.20 -0.68 -4.76 119.74 110.64 3ifb s LYS 46 Ca 0.36 0.98 -0.18 0.00 -0.36 0.00 0.00 55.97 56.77 3ifb s LYS 46 Cb -0.17 0.13 0.15 0.00 -1.51 0.00 0.00 37.83 36.42 3ifb s LYS 46 CO 0.93 -0.12 0.91 -0.06 -0.36 0.00 0.00 175.35 176.65 3ifb s PHE 47 N 1.44 3.24 0.39 4.03 0.08 0.77 0.39 117.98 128.32 3ifb s PHE 47 Ca -0.09 -1.40 -0.25 0.00 0.12 0.00 0.00 56.93 55.31 3ifb s PHE 47 Cb -0.04 -4.09 -0.09 0.00 -0.57 0.00 0.00 43.02 38.23 3ifb s PHE 47 CO -0.17 -1.31 1.10 -0.08 -0.10 0.00 0.00 175.22 174.66 3ifb s THR 48 N 2.07 3.47 0.04 0.64 -1.32 0.27 -3.03 115.64 117.78 3ifb s THR 48 Ca 0.23 1.20 0.01 0.00 -1.21 0.00 0.00 61.69 61.91 3ifb s THR 48 Cb -0.12 -3.65 -0.03 0.00 -1.51 0.00 0.00 72.50 67.19 3ifb s THR 48 CO -0.04 0.08 -0.05 -0.69 -2.21 0.00 0.00 174.62 171.70 3ifb s VAL 49 N -1.51 0.38 -0.32 5.08 1.01 -0.42 -1.41 120.40 123.21 3ifb s VAL 49 Ca 0.56 -1.24 -0.01 0.00 0.00 0.00 0.00 61.98 61.29 3ifb s VAL 49 Cb -0.26 -0.77 0.13 0.00 0.00 0.00 0.00 36.38 35.48 3ifb s VAL 49 CO 0.33 -0.57 0.23 -0.75 0.00 0.00 0.00 175.10 174.34 3ifb s LYS 50 N -2.16 0.41 -1.24 2.72 2.20 -1.11 -1.85 119.74 118.70 3ifb s LYS 50 Ca -0.07 -0.76 -0.09 0.00 -0.36 0.00 0.00 55.97 54.70 3ifb s LYS 50 Cb -0.06 -1.02 0.19 0.00 -1.51 0.00 0.00 37.83 35.44 3ifb s LYS 50 CO -0.02 -1.11 1.79 -1.91 -0.36 0.00 0.00 175.35 173.73 3ifb n GLU 51 N 4.70 3.77 -2.79 4.03 2.13 -0.12 -2.59 120.64 129.77 3ifb n GLU 51 Ca 0.04 -3.73 -0.40 0.00 0.66 0.00 0.00 57.16 53.72 3ifb n GLU 51 Cb 0.42 -2.85 -0.05 0.00 0.27 0.00 0.00 31.44 29.22 3ifb n GLU 51 CO 0.00 0.00 0.00 0.45 -0.41 0.00 0.00 177.13 177.17 3ifb s SER 52 N 0.46 7.53 0.31 4.31 0.15 -0.89 -3.64 113.70 121.93 3ifb s SER 52 Ca 0.38 1.82 0.04 0.00 0.70 0.00 0.00 55.95 58.89 3ifb s SER 52 Cb 0.08 -2.58 -0.03 0.00 -1.71 0.00 0.00 66.02 61.78 3ifb s SER 52 CO 0.02 0.07 0.19 -0.55 1.20 0.00 0.00 173.24 174.18 3ifb s SER 53 N -0.66 1.52 0.27 5.45 0.15 -0.88 -1.34 113.70 118.21 3ifb s SER 53 Ca 0.42 -1.62 -0.01 0.00 0.70 0.00 0.00 55.95 55.45 3ifb s SER 53 Cb -0.24 0.46 0.49 0.00 -1.71 0.00 0.00 66.02 65.01 3ifb s SER 53 CO 0.30 -0.95 1.83 0.00 1.20 0.00 0.00 173.24 175.63 3ifb h ALA 54 N 2.20 1.40 -0.20 5.45 0.00 -1.78 -2.30 119.26 124.03 3ifb h ALA 54 Ca -0.31 0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.64 3ifb h ALA 54 Cb 1.25 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 18.79 3ifb h ALA 54 CO 0.47 0.22 -0.27 0.74 0.00 0.00 0.00 179.25 180.41 3ifb h PHE 55 N 0.97 -0.84 -1.23 0.00 0.04 -1.95 -3.47 116.94 110.45 3ifb h PHE 55 Ca 0.46 0.04 0.34 0.00 2.80 0.00 0.00 57.97 61.61 3ifb h PHE 55 Cb 0.41 0.39 -0.15 0.00 2.20 0.00 0.00 35.95 38.79 3ifb h PHE 55 CO -0.02 -0.24 0.91 0.50 -0.60 0.00 0.00 178.31 178.86 3ifb s ARG 56 N -4.29 0.18 0.57 1.51 6.06 -0.87 -4.85 118.95 117.27 3ifb s ARG 56 Ca -0.07 -0.09 -0.20 0.00 -2.50 0.00 0.00 55.73 52.87 3ifb s ARG 56 Cb 0.04 0.07 -0.05 0.00 0.06 0.00 0.00 34.95 35.07 3ifb s ARG 56 CO 0.30 -0.08 1.18 0.27 -2.50 0.00 0.00 175.30 174.47 3ifb n ASN 57 N -0.33 1.82 -3.54 -2.12 0.23 -1.26 -2.08 115.26 107.97 3ifb n ASN 57 Ca -0.05 0.91 -0.29 0.00 -0.53 0.00 0.00 54.58 54.62 3ifb n ASN 57 Cb 0.61 -1.49 -0.12 0.00 -2.08 0.00 0.00 39.78 36.70 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 -1.37 0.66 0.16 1.53 1.01 -1.24 -4.88 121.20 117.06 3ifb s ILE 58 Ca 0.74 -2.22 -0.31 0.00 0.00 0.00 0.00 60.65 58.86 3ifb s ILE 58 Cb -0.43 -1.47 -0.09 0.00 0.01 0.00 0.00 42.46 40.49 3ifb s ILE 58 CO 0.48 -1.00 1.38 -0.70 0.00 0.00 0.00 174.94 175.10 3ifb s GLU 59 N 0.59 4.33 0.06 2.79 2.12 -1.26 -0.94 118.70 126.39 3ifb s GLU 59 Ca 0.21 2.11 0.03 0.00 0.36 0.00 0.00 54.97 57.68 3ifb s GLU 59 Cb -0.18 -3.21 -0.03 0.00 0.26 0.00 0.00 34.13 30.97 3ifb s GLU 59 CO -0.03 -0.39 -0.10 0.08 -0.54 0.00 0.00 175.26 174.27 3ifb s VAL 60 N 0.69 0.79 -0.13 3.70 1.01 -0.77 -4.93 120.40 120.77 3ifb s VAL 60 Ca 0.62 -1.26 -0.13 0.00 0.00 0.00 0.00 61.98 61.21 3ifb s VAL 60 Cb -0.38 -0.90 0.03 0.00 0.00 0.00 0.00 36.38 35.14 3ifb s VAL 60 CO 0.34 -0.37 0.36 0.54 0.00 0.00 0.00 175.10 175.97 3ifb s VAL 61 N -1.56 0.01 -0.02 2.92 0.11 -1.26 -1.30 120.40 119.29 3ifb s VAL 61 Ca -0.05 -0.04 -0.29 0.00 -2.93 0.00 0.00 61.98 58.67 3ifb s VAL 61 Cb -0.09 -0.53 0.11 0.00 -1.53 0.00 0.00 36.38 34.34 3ifb s VAL 61 CO 0.01 -0.02 0.91 0.72 -3.33 0.00 0.00 175.10 173.39 3ifb s PHE 62 N 0.04 -0.33 0.00 1.54 -0.12 -1.17 -4.97 117.98 112.98 3ifb s PHE 62 Ca -0.01 0.20 0.00 0.00 -0.05 0.00 0.00 56.93 57.07 3ifb s PHE 62 Cb -0.03 0.54 0.00 0.00 -0.63 0.00 0.00 43.02 42.90 3ifb s PHE 62 CO 0.01 -0.52 0.00 -1.91 -0.05 0.00 0.00 175.22 172.75 3ifb n GLU 63 N -0.22 0.00 -3.72 1.99 4.07 -1.26 -0.17 120.64 121.33 3ifb n GLU 63 Ca -0.08 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.89 3ifb n GLU 63 Cb 0.61 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.90 3ifb n GLU 63 CO 0.00 0.00 0.00 -0.48 -0.06 0.00 0.00 177.13 176.59 3ifb s LEU 64 N -4.12 0.21 -1.19 4.31 -0.00 -1.26 -4.31 118.68 112.31 3ifb s LEU 64 Ca 0.00 0.91 -0.12 0.00 -0.00 0.00 0.00 54.13 54.93 3ifb s LEU 64 Cb 0.00 1.53 0.11 0.00 -0.00 0.00 0.00 46.19 47.82 3ifb s LEU 64 CO 0.00 -0.16 0.42 0.61 -0.00 0.00 0.00 176.35 177.22 3ifb n GLY 65 N 3.06 -0.46 3.85 -3.48 0.00 -0.65 -4.93 105.19 102.58 3ifb n GLY 65 Ca -0.15 0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.83 5.42 0.11 1.61 1.01 -1.24 -4.95 120.40 119.52 3ifb s VAL 66 Ca 0.45 0.31 0.03 0.00 0.00 0.00 0.00 61.98 62.77 3ifb s VAL 66 Cb -0.25 -3.46 -0.04 0.00 0.00 0.00 0.00 36.38 32.63 3ifb s VAL 66 CO 0.55 0.58 0.16 -0.89 0.00 0.00 0.00 175.10 175.50 3ifb s THR 67 N -0.81 4.83 0.21 3.92 2.01 -1.26 -3.20 115.64 121.34 3ifb s THR 67 Ca 0.16 -0.76 -0.22 0.00 0.31 0.00 0.00 61.69 61.17 3ifb s THR 67 Cb -0.13 -3.40 0.05 0.00 0.01 0.00 0.00 72.50 69.03 3ifb s THR 67 CO 0.05 0.03 0.65 0.72 -0.69 0.00 0.00 174.62 175.37 3ifb s PHE 68 N -1.57 -0.40 0.31 4.92 -0.71 -0.59 -5.01 117.98 114.94 3ifb s PHE 68 Ca 0.32 0.10 0.06 0.00 -1.04 0.00 0.00 56.93 56.37 3ifb s PHE 68 Cb -0.12 0.62 -0.02 0.00 -1.21 0.00 0.00 43.02 42.30 3ifb s PHE 68 CO 0.25 -1.00 0.42 -0.80 -1.34 0.00 0.00 175.22 172.74 3ifb s ASN 69 N -2.82 5.94 -0.30 1.98 0.02 -1.26 -2.12 114.94 116.38 3ifb s ASN 69 Ca 0.05 -0.18 -0.05 0.00 -1.02 0.00 0.00 52.86 51.66 3ifb s ASN 69 Cb -0.03 -1.33 0.16 0.00 0.02 0.00 0.00 41.25 40.07 3ifb s ASN 69 CO -0.05 -0.34 0.63 -0.47 0.02 0.00 0.00 177.10 176.89 3ifb s TYR 70 N -2.15 -1.48 0.02 2.20 5.04 -0.64 -4.96 117.35 115.38 3ifb s TYR 70 Ca 0.42 2.01 0.03 0.00 -2.44 0.00 0.00 57.07 57.09 3ifb s TYR 70 Cb -0.09 0.68 -0.04 0.00 0.35 0.00 0.00 41.96 42.87 3ifb s TYR 70 CO 0.30 -0.78 -0.05 1.21 -1.34 0.00 0.00 175.55 174.89 3ifb s ASN 71 N 2.88 4.75 0.49 4.32 2.47 -1.26 -2.15 114.94 126.43 3ifb s ASN 71 Ca 0.08 -0.14 0.00 0.00 0.42 0.00 0.00 52.86 53.23 3ifb s ASN 71 Cb -0.14 -1.13 0.01 0.00 -1.45 0.00 0.00 41.25 38.55 3ifb s ASN 71 CO -0.20 0.26 0.71 -0.76 -3.72 0.00 0.00 177.10 173.40 3ifb s LEU 72 N -1.59 3.51 0.10 3.21 1.43 -1.13 -4.98 118.68 119.23 3ifb s LEU 72 Ca 0.19 0.20 -0.18 0.00 -1.03 0.00 0.00 54.13 53.30 3ifb s LEU 72 Cb -0.11 -3.07 -0.07 0.00 0.03 0.00 0.00 46.19 42.97 3ifb s LEU 72 CO 0.10 -0.86 1.57 0.00 0.23 0.00 0.00 176.35 177.38 3ifb h ALA 73 N 0.27 0.37 -0.91 4.21 0.00 -1.93 -3.06 119.26 118.22 3ifb h ALA 73 Ca -0.45 -0.19 0.17 0.00 0.00 0.00 0.00 54.91 54.45 3ifb h ALA 73 Cb 1.27 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.88 3ifb h ALA 73 CO 0.56 0.06 0.59 0.38 0.00 0.00 0.00 179.25 180.83 3ifb h ASP 74 N 0.27 0.57 0.00 0.00 3.04 -1.95 -3.45 116.42 114.90 3ifb h ASP 74 Ca 0.08 0.05 0.00 0.00 -3.24 0.00 0.00 57.03 53.92 3ifb h ASP 74 Cb 0.34 -0.06 0.00 0.00 -1.04 0.00 0.00 39.33 38.58 3ifb h ASP 74 CO 0.01 0.25 0.00 0.61 -2.04 0.00 0.00 179.24 178.07 3ifb n GLY 75 N -1.45 0.59 2.58 7.15 0.00 -1.15 -5.12 105.19 107.78 3ifb n GLY 75 Ca 0.19 -0.75 -0.29 0.00 0.00 0.00 0.00 46.02 45.17 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 -0.46 0.31 -0.01 2.61 2.01 -1.26 -4.98 115.64 113.86 3ifb s THR 76 Ca 0.00 -1.28 -0.19 0.00 0.31 0.00 0.00 61.69 60.52 3ifb s THR 76 Cb 0.00 -1.25 -0.05 0.00 0.01 0.00 0.00 72.50 71.21 3ifb s THR 76 CO 0.00 -0.80 0.55 -1.83 -0.69 0.00 0.00 174.62 171.85 3ifb s GLU 77 N 1.60 4.26 0.18 4.92 -1.05 -1.26 -2.82 118.70 124.52 3ifb s GLU 77 Ca 0.12 0.64 -0.22 0.00 -0.15 0.00 0.00 54.97 55.36 3ifb s GLU 77 Cb -0.19 -3.33 0.06 0.00 -0.44 0.00 0.00 34.13 30.23 3ifb s GLU 77 CO -0.22 0.40 0.61 -0.48 0.95 0.00 0.00 175.26 176.53 3ifb s LEU 78 N -0.27 -0.46 0.19 1.83 -0.00 -0.92 -3.88 118.68 115.18 3ifb s LEU 78 Ca 0.29 -0.14 0.03 0.00 -0.00 0.00 0.00 54.13 54.31 3ifb s LEU 78 Cb -0.18 2.58 -0.05 0.00 -0.00 0.00 0.00 46.19 48.55 3ifb s LEU 78 CO 0.16 -1.04 -0.02 -0.13 -0.00 0.00 0.00 176.35 175.32 3ifb s ARG 79 N -3.79 1.17 -0.01 1.48 0.52 -1.04 -1.63 118.95 115.66 3ifb s ARG 79 Ca 0.03 -1.56 -0.16 0.00 -0.52 0.00 0.00 55.73 53.51 3ifb s ARG 79 Cb -0.02 -0.45 0.05 0.00 0.52 0.00 0.00 34.95 35.06 3ifb s ARG 79 CO -0.09 -0.08 0.74 0.41 0.02 0.00 0.00 175.30 176.30 3ifb n GLY 80 N -0.29 0.41 3.41 -3.53 0.00 -0.90 -1.10 105.19 103.18 3ifb n GLY 80 Ca -0.07 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 44.79 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 -2.08 0.72 -0.00 2.61 -4.23 -0.34 -1.54 115.64 110.77 3ifb s THR 81 Ca 0.17 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3ifb s THR 81 Cb -0.00 -2.60 0.01 0.00 1.34 0.00 0.00 72.50 71.25 3ifb s THR 81 CO -0.00 0.00 0.24 0.26 -0.54 0.00 0.00 174.62 174.58 3ifb s TRP 82 N -3.46 -0.08 -0.21 3.99 0.52 -1.19 -2.92 118.94 115.58 3ifb s TRP 82 Ca 0.34 0.07 -0.06 0.00 0.02 0.00 0.00 56.10 56.47 3ifb s TRP 82 Cb 0.06 0.03 0.10 0.00 -1.15 0.00 0.00 33.47 32.52 3ifb s TRP 82 CO 0.15 -0.36 0.41 -1.12 0.02 0.00 0.00 176.95 176.05 3ifb s SER 83 N -1.42 -0.16 -0.00 2.95 0.01 -0.75 -1.64 113.70 112.70 3ifb s SER 83 Ca -0.13 0.83 -0.30 0.00 1.31 0.00 0.00 55.95 57.65 3ifb s SER 83 Cb -0.06 1.30 -0.05 0.00 0.21 0.00 0.00 66.02 67.42 3ifb s SER 83 CO 0.03 -0.25 1.36 -0.22 0.41 0.00 0.00 173.24 174.57 3ifb s LEU 84 N 2.60 4.32 0.10 2.44 2.96 -1.26 -2.25 118.68 127.58 3ifb s LEU 84 Ca 0.02 2.08 -0.25 0.00 -0.22 0.00 0.00 54.13 55.75 3ifb s LEU 84 Cb -0.13 -3.56 0.08 0.00 0.50 0.00 0.00 46.19 43.08 3ifb s LEU 84 CO -0.13 -0.69 0.68 -1.83 -1.32 0.00 0.00 176.35 173.06 3ifb s GLU 85 N 2.26 1.14 -1.58 1.98 -1.05 0.52 -4.97 118.70 117.00 3ifb s GLU 85 Ca 0.62 -0.36 -0.11 0.00 -0.15 0.00 0.00 54.97 54.97 3ifb s GLU 85 Cb -0.31 0.53 0.09 0.00 -0.44 0.00 0.00 34.13 34.00 3ifb s GLU 85 CO 0.26 -0.49 0.65 0.41 0.95 0.00 0.00 175.26 177.04 3ifb n GLY 86 N -0.23 -0.36 4.09 -3.83 0.00 -1.26 -0.07 105.19 103.53 3ifb n GLY 86 Ca -0.15 0.15 -0.34 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.80 -3.68 -2.85 1.61 0.23 -1.26 -4.93 115.26 101.59 3ifb n ASN 87 Ca -0.08 -0.90 -0.08 0.00 -0.53 0.00 0.00 54.58 52.98 3ifb n ASN 87 Cb 0.57 -2.99 0.03 0.00 -2.08 0.00 0.00 39.78 35.31 3ifb n ASN 87 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 3ifb n LYS 88 N -4.38 1.10 -4.63 -3.83 -0.00 0.90 -4.81 118.16 102.53 3ifb n LYS 88 Ca 0.07 -2.18 -0.33 0.00 -0.00 0.00 0.00 58.31 55.87 3ifb n LYS 88 Cb 0.50 2.74 -0.14 0.00 -0.00 0.00 0.00 35.03 38.12 3ifb n LYS 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 3ifb s LEU 89 N 0.00 2.68 -0.21 -5.58 1.43 0.24 -0.35 118.68 116.89 3ifb s LEU 89 Ca 0.17 -0.37 -0.08 0.00 -1.03 0.00 0.00 54.13 52.82 3ifb s LEU 89 Cb -0.05 -1.61 -0.04 0.00 0.03 0.00 0.00 46.19 44.52 3ifb s LEU 89 CO 0.11 0.13 0.09 -0.51 0.23 0.00 0.00 176.35 176.40 3ifb s ILE 90 N 0.57 4.91 0.17 -0.59 2.07 -0.96 -1.33 121.20 126.04 3ifb s ILE 90 Ca -0.08 0.02 0.07 0.00 -1.41 0.00 0.00 60.65 59.25 3ifb s ILE 90 Cb -0.16 -3.25 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 3ifb s ILE 90 CO 0.03 0.42 -0.14 -0.83 -1.91 0.00 0.00 174.94 172.51 3ifb s GLY 91 N 0.68 1.26 -0.07 1.50 0.00 -0.16 -1.80 107.32 108.72 3ifb s GLY 91 Ca 0.05 -1.51 -0.13 0.00 0.00 0.00 0.00 44.72 43.13 3ifb s GLY 91 CO 0.01 -1.59 0.33 -1.59 0.00 0.00 0.00 173.10 170.26 3ifb s LYS 92 N -3.29 0.54 0.24 2.90 0.00 -1.15 -2.49 119.74 116.49 3ifb s LYS 92 Ca 0.17 0.14 0.01 0.00 0.00 0.00 0.00 55.97 56.28 3ifb s LYS 92 Cb -0.02 0.25 -0.04 0.00 0.00 0.00 0.00 37.83 38.02 3ifb s LYS 92 CO 0.05 -0.12 0.14 -0.06 0.00 0.00 0.00 175.35 175.36 3ifb s PHE 93 N -0.59 1.34 -0.28 1.78 0.40 0.56 -1.20 117.98 119.99 3ifb s PHE 93 Ca -0.07 -1.36 -0.18 0.00 -0.60 0.00 0.00 56.93 54.72 3ifb s PHE 93 Cb -0.04 -0.68 0.09 0.00 0.51 0.00 0.00 43.02 42.91 3ifb s PHE 93 CO 0.02 -0.58 0.77 0.21 0.70 0.00 0.00 175.22 176.34 3ifb s LYS 94 N -4.03 0.66 -0.60 0.44 2.36 -0.26 -0.04 119.74 118.26 3ifb s LYS 94 Ca 0.39 1.05 -0.28 0.00 -2.55 0.00 0.00 55.97 54.58 3ifb s LYS 94 Cb 0.07 0.17 0.03 0.00 -1.05 0.00 0.00 37.83 37.05 3ifb s LYS 94 CO 0.14 -0.12 1.26 0.50 1.55 0.00 0.00 175.35 178.68 3ifb s ARG 95 N 1.32 3.41 0.51 4.03 3.52 -0.57 -2.50 118.95 128.67 3ifb s ARG 95 Ca -0.08 0.22 0.17 0.00 -0.13 0.00 0.00 55.73 55.92 3ifb s ARG 95 Cb -0.05 -4.07 1.26 0.00 -1.56 0.00 0.00 34.95 30.53 3ifb s ARG 95 CO -0.15 -1.82 2.10 0.00 -0.81 0.00 0.00 175.30 174.62 3ifb h THR 96 N 6.19 0.94 -0.02 4.11 1.03 -1.91 0.39 112.91 123.64 3ifb h THR 96 Ca -0.26 -0.02 -0.09 0.00 -0.01 0.00 0.00 66.41 66.03 3ifb h THR 96 Cb 1.06 0.87 0.01 0.00 -1.07 0.00 0.00 68.15 69.03 3ifb h THR 96 CO 1.20 0.01 -0.34 -0.78 -0.01 0.00 0.00 175.52 175.60 3ifb h ASP 97 N 0.06 0.34 0.23 0.00 1.82 -1.90 -3.39 116.42 113.59 3ifb h ASP 97 Ca 0.08 -0.73 -0.34 0.00 -0.39 0.00 0.00 57.03 55.65 3ifb h ASP 97 Cb 0.25 -0.10 -0.04 0.00 0.68 0.00 0.00 39.33 40.12 3ifb h ASP 97 CO -0.01 1.02 -1.99 0.59 -1.61 0.00 0.00 179.24 177.25 3ifb n ASN 98 N -4.42 1.39 -0.58 2.28 4.13 -0.93 -5.02 115.26 112.11 3ifb n ASN 98 Ca -0.09 0.22 0.00 0.00 1.68 0.00 0.00 54.58 56.39 3ifb n ASN 98 Cb 0.54 -0.30 0.00 0.00 -1.54 0.00 0.00 39.78 38.48 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 1.83 0.67 3.13 7.41 0.00 0.13 -5.04 105.19 113.33 3ifb n GLY 99 Ca -0.28 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.00 3ifb n GLY 99 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3ifb s ASN 100 N -2.57 3.81 1.07 1.61 0.02 -1.25 -4.92 114.94 112.71 3ifb s ASN 100 Ca 0.00 -0.90 -0.12 0.00 -1.02 0.00 0.00 52.86 50.82 3ifb s ASN 100 Cb 0.00 -1.55 0.21 0.00 0.02 0.00 0.00 41.25 39.93 3ifb s ASN 100 CO 0.00 -0.08 0.93 -1.84 0.02 0.00 0.00 177.10 176.13 3ifb n GLU 101 N 4.58 -1.59 -3.30 -0.60 0.28 -1.26 -1.51 120.64 117.24 3ifb n GLU 101 Ca -0.18 -0.42 -0.15 0.00 -0.16 0.00 0.00 57.16 56.25 3ifb n GLU 101 Cb 0.47 -2.18 -0.06 0.00 1.43 0.00 0.00 31.44 31.10 3ifb n GLU 101 CO 0.00 0.00 0.00 -1.17 -0.16 0.00 0.00 177.13 175.80 3ifb s LEU 102 N -6.11 -0.17 0.29 -1.84 2.96 0.94 -4.00 118.68 110.75 3ifb s LEU 102 Ca 0.66 -1.69 -0.27 0.00 -0.22 0.00 0.00 54.13 52.61 3ifb s LEU 102 Cb -0.23 0.71 -0.09 0.00 0.50 0.00 0.00 46.19 47.07 3ifb s LEU 102 CO 0.63 -0.22 0.93 0.20 -1.32 0.00 0.00 176.35 176.57 3ifb s ASN 103 N 1.26 7.44 -0.08 3.68 0.01 -0.46 -0.33 114.94 126.47 3ifb s ASN 103 Ca 0.20 1.86 -0.04 0.00 -0.71 0.00 0.00 52.86 54.17 3ifb s ASN 103 Cb -0.11 -2.58 0.04 0.00 0.41 0.00 0.00 41.25 39.01 3ifb s ASN 103 CO -0.05 0.02 0.18 0.42 -1.51 0.00 0.00 177.10 176.17 3ifb s THR 104 N -1.45 -0.06 0.32 1.60 -4.23 -1.04 -0.44 115.64 110.34 3ifb s THR 104 Ca 0.46 0.18 0.08 0.00 -1.18 0.00 0.00 61.69 61.24 3ifb s THR 104 Cb -0.21 -0.29 -0.04 0.00 1.34 0.00 0.00 72.50 73.29 3ifb s THR 104 CO 0.27 0.07 0.12 0.54 -0.54 0.00 0.00 174.62 175.08 3ifb s VAL 105 N 1.28 3.23 0.02 2.29 0.11 -1.21 -0.99 120.40 125.12 3ifb s VAL 105 Ca -0.09 -1.71 -0.03 0.00 -2.93 0.00 0.00 61.98 57.22 3ifb s VAL 105 Cb -0.11 -2.99 -0.01 0.00 -1.53 0.00 0.00 36.38 31.74 3ifb s VAL 105 CO -0.07 -0.23 0.04 -0.13 -3.33 0.00 0.00 175.10 171.38 3ifb s ARG 106 N -3.81 0.41 -0.29 1.54 0.52 -0.44 -2.97 118.95 113.91 3ifb s ARG 106 Ca 0.36 -0.59 -0.20 0.00 -0.52 0.00 0.00 55.73 54.78 3ifb s ARG 106 Cb -0.04 0.16 0.16 0.00 0.52 0.00 0.00 34.95 35.75 3ifb s ARG 106 CO 0.22 -0.09 1.12 -2.00 0.02 0.00 0.00 175.30 174.58 3ifb s GLU 107 N -1.69 0.31 0.33 3.54 2.12 -1.06 -0.60 118.70 121.66 3ifb s GLU 107 Ca -0.13 0.45 -0.26 0.00 0.36 0.00 0.00 54.97 55.38 3ifb s GLU 107 Cb -0.07 0.11 -0.09 0.00 0.26 0.00 0.00 34.13 34.33 3ifb s GLU 107 CO -0.01 -0.05 0.99 -1.50 -0.54 0.00 0.00 175.26 174.15 3ifb s ILE 108 N 0.73 3.96 -0.08 -3.70 1.10 -1.26 -0.94 121.20 121.01 3ifb s ILE 108 Ca -0.02 1.66 0.00 0.00 -0.51 0.00 0.00 60.65 61.78 3ifb s ILE 108 Cb -0.04 -3.93 0.02 0.00 0.15 0.00 0.00 42.46 38.66 3ifb s ILE 108 CO -0.12 0.16 -0.06 -0.51 -2.11 0.00 0.00 174.94 172.30 3ifb s ILE 109 N -1.54 0.81 0.00 2.00 -1.16 -0.59 -4.90 121.20 115.82 3ifb s ILE 109 Ca 0.51 -0.20 0.00 0.00 -0.51 0.00 0.00 60.65 60.45 3ifb s ILE 109 Cb -0.22 -0.84 0.00 0.00 0.61 0.00 0.00 42.46 42.02 3ifb s ILE 109 CO 0.28 0.31 0.00 0.61 -2.81 0.00 0.00 174.94 173.33 3ifb n GLY 110 N 4.59 1.33 2.55 1.50 0.00 -1.26 -0.40 105.19 113.50 3ifb n GLY 110 Ca -0.16 0.52 -0.17 0.00 0.00 0.00 0.00 46.02 46.21 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 8.64 2.49 -3.64 1.61 8.00 -1.26 -4.88 116.55 127.51 3ifb n ASP 111 Ca 0.00 -3.14 -0.16 0.00 0.71 0.00 0.00 54.79 52.20 3ifb n ASP 111 Cb 0.00 -0.54 -0.14 0.00 -0.02 0.00 0.00 41.12 40.42 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 3ifb s GLU 112 N -3.12 0.11 0.21 -1.24 2.02 0.46 -4.08 118.70 113.06 3ifb s GLU 112 Ca 0.38 0.59 -0.30 0.00 0.02 0.00 0.00 54.97 55.66 3ifb s GLU 112 Cb 0.40 -0.32 -0.08 0.00 0.10 0.00 0.00 34.13 34.23 3ifb s GLU 112 CO -0.06 -0.35 1.08 -1.17 0.02 0.00 0.00 175.26 174.77 3ifb s LEU 113 N 2.35 4.53 0.15 1.80 0.20 -1.22 -1.54 118.68 124.95 3ifb s LEU 113 Ca 0.03 2.11 0.06 0.00 0.69 0.00 0.00 54.13 57.02 3ifb s LEU 113 Cb -0.13 -3.61 -0.04 0.00 -0.43 0.00 0.00 46.19 41.98 3ifb s LEU 113 CO -0.08 -0.15 0.03 -0.69 -0.29 0.00 0.00 176.35 175.17 3ifb s VAL 114 N -0.59 3.94 0.00 1.68 1.01 -0.12 -1.18 120.40 125.14 3ifb s VAL 114 Ca 0.47 -1.25 -0.11 0.00 0.00 0.00 0.00 61.98 61.10 3ifb s VAL 114 Cb -0.29 -2.96 0.01 0.00 0.00 0.00 0.00 36.38 33.14 3ifb s VAL 114 CO 0.36 -0.05 0.22 -1.58 0.00 0.00 0.00 175.10 174.05 3ifb s GLN 115 N -2.81 0.60 -0.39 2.72 0.74 -1.15 -2.55 119.66 116.83 3ifb s GLN 115 Ca 0.28 -0.36 0.02 0.00 0.05 0.00 0.00 55.36 55.35 3ifb s GLN 115 Cb -0.10 0.26 0.16 0.00 1.10 0.00 0.00 33.01 34.42 3ifb s GLN 115 CO 0.19 -0.16 0.31 0.95 -0.55 0.00 0.00 175.29 176.03 3ifb s THR 116 N -1.60 0.12 0.44 -0.34 -4.23 -1.16 -2.50 115.64 106.38 3ifb s THR 116 Ca -0.12 -2.01 -0.22 0.00 -1.18 0.00 0.00 61.69 58.16 3ifb s THR 116 Cb -0.05 -1.08 -0.09 0.00 1.34 0.00 0.00 72.50 72.62 3ifb s THR 116 CO 0.02 -1.02 1.03 -0.31 -0.54 0.00 0.00 174.62 173.80 3ifb s TYR 117 N 0.66 3.17 -0.03 3.99 1.51 -0.62 -3.34 117.35 122.69 3ifb s TYR 117 Ca 0.25 1.61 -0.02 0.00 -1.01 0.00 0.00 57.07 57.90 3ifb s TYR 117 Cb -0.10 -3.05 0.02 0.00 -0.11 0.00 0.00 41.96 38.72 3ifb s TYR 117 CO -0.09 -0.61 0.07 0.08 -1.11 0.00 0.00 175.55 173.90 3ifb s VAL 118 N -1.88 -0.02 -0.05 0.71 1.01 0.41 -1.25 120.40 119.33 3ifb s VAL 118 Ca 0.62 0.08 -0.01 0.00 0.00 0.00 0.00 61.98 62.68 3ifb s VAL 118 Cb -0.17 -0.12 0.03 0.00 0.00 0.00 0.00 36.38 36.11 3ifb s VAL 118 CO 0.22 0.03 0.03 -0.47 0.00 0.00 0.00 175.10 174.91 3ifb s TYR 119 N 0.49 0.30 -1.82 5.22 6.14 -0.47 -1.35 117.35 125.86 3ifb s TYR 119 Ca -0.04 0.07 -0.20 0.00 0.64 0.00 0.00 57.07 57.54 3ifb s TYR 119 Cb -0.05 -0.56 0.20 0.00 0.42 0.00 0.00 41.96 41.96 3ifb s TYR 119 CO -0.02 -0.22 0.54 0.39 0.64 0.00 0.00 175.55 176.88 3ifb n GLU 120 N 5.01 -1.05 0.00 4.97 1.02 -1.26 -0.22 120.64 129.12 3ifb n GLU 120 Ca -0.09 0.16 0.00 0.00 -0.02 0.00 0.00 57.16 57.21 3ifb n GLU 120 Cb 0.50 -4.62 0.00 0.00 -0.02 0.00 0.00 31.44 27.30 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 -1.30 2.72 3.69 0.62 0.00 -1.26 -5.03 105.19 104.63 3ifb n GLY 121 Ca 0.05 -0.13 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3ifb n GLY 121 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 3ifb n VAL 122 N 0.00 3.00 -4.25 1.61 0.31 0.70 -5.03 118.33 114.68 3ifb n VAL 122 Ca 0.00 -0.32 -0.19 0.00 -0.01 0.00 0.00 64.34 63.82 3ifb n VAL 122 Cb 0.00 -1.27 -0.11 0.00 -0.91 0.00 0.00 33.84 31.55 3ifb n VAL 122 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 3ifb s GLU 123 N -3.79 1.04 0.17 5.55 -1.05 -1.26 -1.36 118.70 117.99 3ifb s GLU 123 Ca 0.76 -1.22 -0.15 0.00 -0.15 0.00 0.00 54.97 54.22 3ifb s GLU 123 Cb -0.32 -0.99 0.02 0.00 -0.44 0.00 0.00 34.13 32.39 3ifb s GLU 123 CO 0.48 0.20 0.42 0.00 0.95 0.00 0.00 175.26 177.31 3ifb s ALA 124 N -1.92 -0.68 0.02 -0.84 0.00 -0.38 -4.81 121.76 113.14 3ifb s ALA 124 Ca 0.08 -0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.59 3ifb s ALA 124 Cb -0.06 0.80 0.01 0.00 0.00 0.00 0.00 23.12 23.86 3ifb s ALA 124 CO 0.03 -0.71 0.19 -1.59 0.00 0.00 0.00 175.76 173.69 3ifb s LYS 125 N -3.88 0.61 -0.21 0.00 -2.85 -1.25 -1.59 119.74 110.59 3ifb s LYS 125 Ca 0.09 -0.47 -0.03 0.00 -1.00 0.00 0.00 55.97 54.56 3ifb s LYS 125 Cb 0.01 0.26 0.06 0.00 -2.06 0.00 0.00 37.83 36.10 3ifb s LYS 125 CO -0.05 -0.17 0.04 1.03 0.10 0.00 0.00 175.35 176.30 3ifb s ARG 126 N -1.92 0.69 0.40 1.78 1.81 -1.04 -3.03 118.95 117.64 3ifb s ARG 126 Ca -0.10 -0.49 -0.23 0.00 -1.72 0.00 0.00 55.73 53.19 3ifb s ARG 126 Cb -0.04 -2.11 -0.10 0.00 -0.45 0.00 0.00 34.95 32.25 3ifb s ARG 126 CO -0.00 -0.67 0.97 0.42 -0.68 0.00 0.00 175.30 175.33 3ifb s ILE 127 N 1.83 4.19 0.33 1.52 -1.09 -1.05 -2.96 121.20 123.97 3ifb s ILE 127 Ca -0.00 1.54 0.07 0.00 -2.23 0.00 0.00 60.65 60.03 3ifb s ILE 127 Cb -0.17 -3.72 -0.06 0.00 -1.58 0.00 0.00 42.46 36.92 3ifb s ILE 127 CO -0.10 -0.13 -0.04 -0.36 -1.23 0.00 0.00 174.94 173.09 3ifb s PHE 128 N -1.92 2.18 -0.04 3.97 0.40 -0.33 -1.24 117.98 121.00 3ifb s PHE 128 Ca 0.58 -0.67 -0.13 0.00 -0.60 0.00 0.00 56.93 56.11 3ifb s PHE 128 Cb -0.14 -1.33 0.02 0.00 0.51 0.00 0.00 43.02 42.08 3ifb s PHE 128 CO 0.19 0.36 0.30 -1.59 0.70 0.00 0.00 175.22 175.18 3ifb s LYS 129 N -3.71 0.58 0.61 0.44 0.00 -0.31 -3.41 119.74 113.93 3ifb s LYS 129 Ca 0.32 -0.03 -0.18 0.00 0.00 0.00 0.00 55.97 56.08 3ifb s LYS 129 Cb 0.05 0.26 -0.08 0.00 0.00 0.00 0.00 37.83 38.06 3ifb s LYS 129 CO 0.15 -0.14 0.44 0.36 0.00 0.00 0.00 175.35 176.15 3ifb n LYS 130 N 1.73 0.41 0.00 1.78 -0.00 -1.26 -1.29 118.16 119.52 3ifb n LYS 130 Ca -0.19 0.16 0.07 0.00 -0.00 0.00 0.00 58.31 58.35 3ifb n LYS 130 Cb 0.56 -1.65 0.40 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