#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 0.00 -3.66 0.00 3.72 -1.26 -4.97 117.46 111.29 3ifb n PHE 2 Ca 0.00 0.00 -0.09 0.00 -0.05 0.00 0.00 57.45 57.31 3ifb n PHE 2 Cb 0.00 0.00 -0.10 0.00 -0.94 0.00 0.00 39.48 38.44 3ifb n PHE 2 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 176.76 176.20 3ifb s ASP 3 N -1.00 -0.32 0.10 4.37 1.11 -1.26 -4.12 116.67 115.56 3ifb s ASP 3 Ca 0.00 0.99 -0.26 0.00 0.18 0.00 0.00 52.55 53.46 3ifb s ASP 3 Cb 0.00 1.25 0.09 0.00 1.07 0.00 0.00 42.92 45.32 3ifb s ASP 3 CO 0.00 -0.22 1.11 -0.44 1.18 0.00 0.00 175.17 176.80 3ifb s SER 4 N 2.38 -0.05 -0.60 0.27 0.01 -0.62 -4.97 113.70 110.11 3ifb s SER 4 Ca -0.03 -0.42 -0.02 0.00 1.31 0.00 0.00 55.95 56.78 3ifb s SER 4 Cb -0.11 0.37 0.16 0.00 0.21 0.00 0.00 66.02 66.64 3ifb s SER 4 CO -0.13 -0.72 0.41 -0.89 0.41 0.00 0.00 173.24 172.32 3ifb s THR 5 N -2.48 3.59 0.77 1.44 2.01 -1.26 -1.54 115.64 118.17 3ifb s THR 5 Ca 0.19 -2.93 -0.09 0.00 0.31 0.00 0.00 61.69 59.16 3ifb s THR 5 Cb -0.00 -3.36 0.08 0.00 0.01 0.00 0.00 72.50 69.23 3ifb s THR 5 CO 0.02 -0.86 1.11 0.26 -0.69 0.00 0.00 174.62 174.45 3ifb s TRP 6 N -0.01 2.75 0.03 4.92 0.52 0.75 -2.59 118.94 125.32 3ifb s TRP 6 Ca 0.16 0.52 -0.05 0.00 0.02 0.00 0.00 56.10 56.75 3ifb s TRP 6 Cb -0.21 -3.39 -0.01 0.00 -1.15 0.00 0.00 33.47 28.71 3ifb s TRP 6 CO -0.03 -1.68 0.09 -1.59 0.02 0.00 0.00 176.95 173.75 3ifb s LYS 7 N -5.43 0.56 0.01 4.98 -2.85 -0.97 -1.22 119.74 114.83 3ifb s LYS 7 Ca 0.62 -0.73 -0.30 0.00 -1.00 0.00 0.00 55.97 54.57 3ifb s LYS 7 Cb -0.10 0.22 -0.03 0.00 -2.06 0.00 0.00 37.83 35.85 3ifb s LYS 7 CO 0.47 -0.13 0.98 0.54 0.10 0.00 0.00 175.35 177.31 3ifb s VAL 8 N -2.45 4.81 -0.21 1.79 0.11 -0.85 -1.06 120.40 122.54 3ifb s VAL 8 Ca -0.06 2.05 0.05 0.00 -2.93 0.00 0.00 61.98 61.09 3ifb s VAL 8 Cb -0.02 -4.32 -0.05 0.00 -1.53 0.00 0.00 36.38 30.46 3ifb s VAL 8 CO -0.04 0.18 0.20 0.47 -3.33 0.00 0.00 175.10 172.58 3ifb n ASP 9 N 3.76 0.37 -3.62 3.54 8.00 -0.98 -4.91 116.55 122.72 3ifb n ASP 9 Ca 0.06 -0.59 -0.11 0.00 0.71 0.00 0.00 54.79 54.86 3ifb n ASP 9 Cb 0.51 1.01 -0.04 0.00 -0.02 0.00 0.00 41.12 42.58 3ifb n ASP 9 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 3ifb s ARG 10 N -1.48 1.18 0.00 -1.24 6.06 -0.78 -5.00 118.95 117.69 3ifb s ARG 10 Ca 0.02 -0.71 -0.03 0.00 -2.50 0.00 0.00 55.73 52.51 3ifb s ARG 10 Cb 0.04 0.50 -0.01 0.00 0.06 0.00 0.00 34.95 35.54 3ifb s ARG 10 CO 0.19 -0.48 0.05 -1.12 -2.50 0.00 0.00 175.30 171.44 3ifb s SER 11 N -2.81 0.10 0.11 -2.12 0.01 -1.26 -2.13 113.70 105.60 3ifb s SER 11 Ca 0.04 -0.27 0.10 0.00 1.31 0.00 0.00 55.95 57.14 3ifb s SER 11 Cb 0.01 0.14 -0.04 0.00 0.21 0.00 0.00 66.02 66.34 3ifb s SER 11 CO -0.10 -0.27 -0.25 -1.61 0.41 0.00 0.00 173.24 171.42 3ifb s GLU 12 N -1.12 1.55 -0.22 12.44 2.02 0.16 -4.72 118.70 128.81 3ifb s GLU 12 Ca -0.12 -1.27 -0.02 0.00 0.02 0.00 0.00 54.97 53.58 3ifb s GLU 12 Cb -0.07 -1.95 0.02 0.00 0.10 0.00 0.00 34.13 32.23 3ifb s GLU 12 CO 0.00 0.47 0.06 -1.71 0.02 0.00 0.00 175.26 174.10 3ifb n ASN 13 N 1.09 -0.17 -0.12 -0.19 5.15 -1.26 -3.20 115.26 116.57 3ifb n ASN 13 Ca -0.17 -0.15 0.13 0.00 -0.60 0.00 0.00 54.58 53.79 3ifb n ASN 13 Cb 0.53 -0.19 0.39 0.00 -0.53 0.00 0.00 39.78 39.98 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 -0.98 0.00 -0.08 1.20 9.36 -1.26 -2.01 117.16 123.39 3ifb n TYR 14 Ca 0.01 0.00 -0.23 0.00 3.32 0.00 0.00 57.90 61.00 3ifb n TYR 14 Cb 0.06 -0.21 -0.12 0.00 -0.63 0.00 0.00 39.34 38.44 3ifb n TYR 14 CO 0.00 0.00 0.00 -0.40 0.22 0.00 0.00 176.86 176.68 3ifb n ASP 15 N -1.07 1.99 -0.00 2.98 5.75 -1.26 -1.96 116.55 122.97 3ifb n ASP 15 Ca 0.10 0.26 -0.10 0.00 -0.01 0.00 0.00 54.79 55.04 3ifb n ASP 15 Cb 0.33 -0.83 -0.04 0.00 -1.03 0.00 0.00 41.12 39.55 3ifb n ASP 15 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 3ifb h LYS 16 N -0.49 -0.04 -0.76 0.11 1.63 -1.96 0.76 116.57 115.81 3ifb h LYS 16 Ca -0.47 0.00 -0.05 0.00 -0.85 0.00 0.00 60.65 59.29 3ifb h LYS 16 Cb 1.69 0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 33.30 3ifb h LYS 16 CO -0.13 -0.03 0.28 0.35 -3.45 0.00 0.00 179.45 176.48 3ifb h PHE 17 N -0.04 1.18 0.71 1.91 3.04 -1.53 0.10 116.94 122.31 3ifb h PHE 17 Ca 0.06 -0.10 -0.03 0.00 3.98 0.00 0.00 57.97 61.88 3ifb h PHE 17 Cb 0.13 -0.35 0.01 0.00 2.56 0.00 0.00 35.95 38.30 3ifb h PHE 17 CO -0.17 0.90 -0.34 0.52 -2.02 0.00 0.00 178.31 177.20 3ifb h MET 18 N 1.11 -0.92 -1.03 1.11 2.86 -1.26 0.16 114.93 116.97 3ifb h MET 18 Ca 0.25 0.06 0.37 0.00 -2.06 0.00 0.00 59.70 58.33 3ifb h MET 18 Cb 0.25 0.21 -0.12 0.00 0.06 0.00 0.00 31.60 31.99 3ifb h MET 18 CO -0.02 -0.58 0.64 -1.91 1.06 0.00 0.00 176.91 176.10 3ifb n GLU 19 N -5.43 -0.03 -0.06 1.72 2.13 0.25 -0.79 120.64 118.42 3ifb n GLU 19 Ca -0.13 1.03 -0.11 0.00 0.66 0.00 0.00 57.16 58.61 3ifb n GLU 19 Cb 0.39 -1.99 -0.15 0.00 0.27 0.00 0.00 31.44 29.96 3ifb n GLU 19 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 3ifb n LYS 20 N -4.44 0.67 -0.37 5.31 3.00 -0.02 -2.63 118.16 119.68 3ifb n LYS 20 Ca 0.32 0.16 0.29 0.00 -0.00 0.00 0.00 58.31 59.08 3ifb n LYS 20 Cb 1.20 -1.65 0.58 0.00 0.00 0.00 0.00 35.03 35.16 3ifb n LYS 20 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.40 179.38 3ifb h MET 21 N 0.01 0.24 0.00 1.64 1.85 0.14 -3.46 114.93 115.36 3ifb h MET 21 Ca -0.43 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 58.65 3ifb h MET 21 Cb 2.10 -0.05 0.00 0.00 0.43 0.00 0.00 31.60 34.07 3ifb h MET 21 CO 0.04 0.16 0.00 0.41 -0.40 0.00 0.00 176.91 177.12 3ifb n GLY 22 N -1.52 3.50 1.83 1.39 0.00 -1.07 -5.08 105.19 104.24 3ifb n GLY 22 Ca 0.30 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.51 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 0.00 0.42 -2.39 1.61 0.31 -1.21 -4.88 118.33 112.18 3ifb n VAL 23 Ca 0.00 -0.10 -0.24 0.00 -0.01 0.00 0.00 64.34 63.98 3ifb n VAL 23 Cb 0.00 0.00 0.05 0.00 -0.91 0.00 0.00 33.84 32.98 3ifb n VAL 23 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 3ifb s ASN 24 N -0.21 5.11 0.27 4.52 2.20 -1.26 -4.25 114.94 121.32 3ifb s ASN 24 Ca 0.43 0.36 -0.07 0.00 -0.94 0.00 0.00 52.86 52.64 3ifb s ASN 24 Cb -0.60 -1.16 0.49 0.00 -2.00 0.00 0.00 41.25 37.98 3ifb s ASN 24 CO 0.30 -1.35 1.58 -0.29 -2.94 0.00 0.00 177.10 174.41 3ifb h ILE 25 N -0.30 0.11 0.00 0.54 2.10 -1.91 0.38 117.51 118.42 3ifb h ILE 25 Ca -0.44 -0.01 -0.03 0.00 1.08 0.00 0.00 64.86 65.46 3ifb h ILE 25 Cb 1.30 0.09 -0.00 0.00 -1.09 0.00 0.00 36.82 37.12 3ifb h ILE 25 CO 0.58 0.00 -0.16 0.58 -1.08 0.00 0.00 178.15 178.08 3ifb h VAL 26 N 0.02 0.30 0.00 2.19 2.07 -2.00 -2.40 116.25 116.43 3ifb h VAL 26 Ca 0.47 -1.22 0.00 0.00 0.82 0.00 0.00 66.70 66.77 3ifb h VAL 26 Cb 0.80 1.97 0.00 0.00 -1.52 0.00 0.00 31.29 32.54 3ifb h VAL 26 CO -0.89 0.15 0.00 0.50 0.02 0.00 0.00 177.57 177.35 3ifb h LYS 27 N 0.00 0.00 0.00 1.57 1.63 -0.58 0.47 116.57 119.67 3ifb h LYS 27 Ca -0.00 0.00 -0.20 0.00 -0.85 0.00 0.00 60.65 59.60 3ifb h LYS 27 Cb 0.96 0.00 -0.03 0.00 -0.60 0.00 0.00 32.23 32.56 3ifb h LYS 27 CO 0.02 0.00 -1.11 0.07 -3.45 0.00 0.00 179.45 174.98 3ifb h ARG 28 N 0.00 0.00 -0.29 1.90 0.11 -1.28 0.03 114.38 114.86 3ifb h ARG 28 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 3ifb h ARG 28 Cb 0.33 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.40 3ifb h ARG 28 CO 0.00 0.66 -0.16 0.87 0.10 0.00 0.00 179.97 181.44 3ifb h LYS 29 N 0.00 0.62 -0.64 0.08 6.56 -1.08 0.19 116.57 122.29 3ifb h LYS 29 Ca -0.09 -0.28 0.00 0.00 -1.06 0.00 0.00 60.65 59.22 3ifb h LYS 29 Cb 1.71 -0.01 -0.03 0.00 -0.57 0.00 0.00 32.23 33.32 3ifb h LYS 29 CO 0.09 0.86 0.41 -0.07 -2.06 0.00 0.00 179.45 178.68 3ifb h LEU 30 N 0.36 0.75 -0.47 2.94 3.38 -1.07 -2.85 115.31 118.35 3ifb h LEU 30 Ca 0.06 -0.04 0.09 0.00 0.09 0.00 0.00 57.88 58.08 3ifb h LEU 30 Cb 0.69 -0.19 -0.07 0.00 0.09 0.00 0.00 40.66 41.18 3ifb h LEU 30 CO 0.05 0.57 0.04 0.00 0.09 0.00 0.00 178.44 179.18 3ifb h ALA 31 N 1.22 0.48 -0.89 1.53 0.00 -0.36 -0.03 119.26 121.21 3ifb h ALA 31 Ca 0.23 0.12 0.17 0.00 0.00 0.00 0.00 54.91 55.43 3ifb h ALA 31 Cb -0.06 0.19 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3ifb h ALA 31 CO -0.05 -0.36 0.58 0.00 0.00 0.00 0.00 179.25 179.42 3ifb h ALA 32 N 1.40 1.96 -1.64 0.00 0.00 -0.41 0.33 119.26 120.89 3ifb h ALA 32 Ca 0.24 0.02 -0.62 0.00 0.00 0.00 0.00 54.91 54.55 3ifb h ALA 32 Cb 0.33 -0.09 -0.40 0.00 0.00 0.00 0.00 17.79 17.64 3ifb h ALA 32 CO -0.36 -0.22 -0.44 0.72 0.00 0.00 0.00 179.25 178.95 3ifb n HIS 33 N -4.56 3.51 -0.02 0.00 8.25 -0.57 -4.73 115.22 117.10 3ifb n HIS 33 Ca 0.18 -3.23 -0.03 0.00 -0.26 0.00 0.00 57.72 54.38 3ifb n HIS 33 Cb 0.55 -0.35 -0.01 0.00 1.12 0.00 0.00 29.99 31.30 3ifb n HIS 33 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 3ifb n ASP 34 N -0.41 0.87 -1.66 0.41 -0.08 0.12 -4.94 116.55 110.86 3ifb n ASP 34 Ca 0.39 0.14 -0.01 0.00 -1.51 0.00 0.00 54.79 53.80 3ifb n ASP 34 Cb 0.53 -0.43 0.00 0.00 2.34 0.00 0.00 41.12 43.56 3ifb n ASP 34 CO 0.00 0.00 0.00 0.59 0.12 0.00 0.00 177.20 177.91 3ifb n ASN 35 N -3.35 -2.73 -4.75 1.67 5.03 -1.25 -3.60 115.26 106.30 3ifb n ASN 35 Ca -0.04 0.08 -0.32 0.00 0.87 0.00 0.00 54.58 55.17 3ifb n ASN 35 Cb 0.16 -1.53 0.09 0.00 -1.02 0.00 0.00 39.78 37.48 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 -1.03 3.09 0.34 3.41 0.20 -1.26 -4.29 118.68 119.14 3ifb s LEU 36 Ca 0.03 1.94 -0.14 0.00 0.69 0.00 0.00 54.13 56.65 3ifb s LEU 36 Cb -0.01 -4.54 0.03 0.00 -0.43 0.00 0.00 46.19 41.25 3ifb s LEU 36 CO 0.09 -2.14 0.68 -1.59 -0.29 0.00 0.00 176.35 173.11 3ifb s LYS 37 N -4.65 2.02 0.31 1.98 0.00 0.80 -2.01 119.74 118.18 3ifb s LYS 37 Ca 0.64 -1.39 -0.05 0.00 0.00 0.00 0.00 55.97 55.16 3ifb s LYS 37 Cb -0.19 0.57 -0.00 0.00 0.00 0.00 0.00 37.83 38.21 3ifb s LYS 37 CO 0.53 -0.91 0.46 -0.51 0.00 0.00 0.00 175.35 174.91 3ifb s LEU 38 N -3.07 0.81 -0.28 2.77 1.43 -0.35 -1.00 118.68 118.99 3ifb s LEU 38 Ca 0.18 -1.32 -0.21 0.00 -1.03 0.00 0.00 54.13 51.75 3ifb s LEU 38 Cb -0.04 1.50 0.10 0.00 0.03 0.00 0.00 46.19 47.78 3ifb s LEU 38 CO 0.12 -1.23 0.86 -0.89 0.23 0.00 0.00 176.35 175.43 3ifb s THR 39 N -3.37 0.00 -0.01 5.49 2.01 -0.02 -0.18 115.64 119.56 3ifb s THR 39 Ca 0.29 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.20 3ifb s THR 39 Cb -0.00 -1.00 0.01 0.00 0.01 0.00 0.00 72.50 71.52 3ifb s THR 39 CO 0.16 0.00 0.18 -0.51 -0.69 0.00 0.00 174.62 173.77 3ifb s ILE 40 N 0.80 0.07 -0.22 1.82 2.07 -0.59 -0.50 121.20 124.65 3ifb s ILE 40 Ca -0.03 -0.59 -0.06 0.00 -1.41 0.00 0.00 60.65 58.55 3ifb s ILE 40 Cb -0.05 -0.47 0.11 0.00 0.13 0.00 0.00 42.46 42.18 3ifb s ILE 40 CO -0.09 -0.33 0.45 -0.89 -1.91 0.00 0.00 174.94 172.18 3ifb s THR 41 N -1.28 -0.71 0.40 4.00 2.01 -0.88 -1.58 115.64 117.60 3ifb s THR 41 Ca -0.13 0.10 -0.13 0.00 0.31 0.00 0.00 61.69 61.84 3ifb s THR 41 Cb -0.07 -0.75 -0.08 0.00 0.01 0.00 0.00 72.50 71.62 3ifb s THR 41 CO 0.02 0.03 0.80 -1.58 -0.69 0.00 0.00 174.62 173.20 3ifb s GLN 42 N 2.65 3.89 0.20 4.92 2.00 -1.26 -2.07 119.66 129.99 3ifb s GLN 42 Ca 0.01 0.62 -0.15 0.00 -2.00 0.00 0.00 55.36 53.84 3ifb s GLN 42 Cb -0.13 -2.36 0.02 0.00 0.80 0.00 0.00 33.01 31.34 3ifb s GLN 42 CO -0.14 -0.01 0.48 -2.00 -0.50 0.00 0.00 175.29 173.11 3ifb s GLU 43 N -3.60 1.38 -0.65 1.67 2.56 0.16 -4.94 118.70 115.27 3ifb s GLU 43 Ca 0.54 -0.97 -0.12 0.00 0.00 0.00 0.00 54.97 54.41 3ifb s GLU 43 Cb -0.10 0.49 -0.19 0.00 2.00 0.00 0.00 34.13 36.33 3ifb s GLU 43 CO 0.27 -0.57 1.55 0.41 -0.56 0.00 0.00 175.26 176.35 3ifb n GLY 44 N -0.33 -0.32 3.87 -1.50 0.00 -1.26 0.95 105.19 106.61 3ifb n GLY 44 Ca -0.08 0.31 -0.25 0.00 0.00 0.00 0.00 46.02 45.99 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 4.93 -0.94 -3.48 1.61 5.15 -1.26 -4.94 115.26 116.33 3ifb n ASN 45 Ca 0.44 -0.97 -0.13 0.00 -0.60 0.00 0.00 54.58 53.32 3ifb n ASN 45 Cb 0.06 -3.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.99 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 -6.38 1.06 -0.17 1.20 2.20 0.27 -4.70 119.74 113.22 3ifb s LYS 46 Ca 0.05 -0.17 -0.00 0.00 -0.36 0.00 0.00 55.97 55.48 3ifb s LYS 46 Cb -0.02 0.49 0.04 0.00 -1.51 0.00 0.00 37.83 36.84 3ifb s LYS 46 CO 0.87 -0.42 -0.06 -0.06 -0.36 0.00 0.00 175.35 175.32 3ifb s PHE 47 N -2.64 1.81 -0.22 4.03 0.40 -0.68 -0.66 117.98 120.03 3ifb s PHE 47 Ca -0.02 -1.15 -0.15 0.00 -0.60 0.00 0.00 56.93 55.01 3ifb s PHE 47 Cb -0.01 -1.37 -0.04 0.00 0.51 0.00 0.00 43.02 42.11 3ifb s PHE 47 CO -0.04 -0.63 0.34 0.99 0.70 0.00 0.00 175.22 176.58 3ifb s THR 48 N 1.60 5.23 -0.13 0.64 2.01 -0.88 -1.91 115.64 122.20 3ifb s THR 48 Ca 0.01 0.58 0.03 0.00 0.31 0.00 0.00 61.69 62.61 3ifb s THR 48 Cb -0.15 -3.67 0.00 0.00 0.01 0.00 0.00 72.50 68.69 3ifb s THR 48 CO -0.08 0.26 -0.22 0.54 -0.69 0.00 0.00 174.62 174.44 3ifb s VAL 49 N 1.32 2.18 -0.17 3.82 0.11 -0.22 -2.08 120.40 125.37 3ifb s VAL 49 Ca 0.16 -0.96 -0.05 0.00 -2.93 0.00 0.00 61.98 58.20 3ifb s VAL 49 Cb -0.15 -1.86 -0.03 0.00 -1.53 0.00 0.00 36.38 32.81 3ifb s VAL 49 CO 0.07 0.55 0.00 -0.75 -3.33 0.00 0.00 175.10 171.64 3ifb s LYS 50 N 0.60 3.77 0.25 1.54 2.20 0.35 -0.68 119.74 127.77 3ifb s LYS 50 Ca -0.12 -0.46 0.09 0.00 -0.36 0.00 0.00 55.97 55.12 3ifb s LYS 50 Cb -0.17 -3.03 -0.04 0.00 -1.51 0.00 0.00 37.83 33.08 3ifb s LYS 50 CO 0.03 0.23 0.04 -1.21 -0.36 0.00 0.00 175.35 174.08 3ifb s GLU 51 N 0.42 2.44 -0.01 4.03 2.02 -0.74 -0.84 118.70 126.02 3ifb s GLU 51 Ca -0.01 -1.30 -0.29 0.00 0.02 0.00 0.00 54.97 53.39 3ifb s GLU 51 Cb -0.14 -2.27 0.07 0.00 0.10 0.00 0.00 34.13 31.89 3ifb s GLU 51 CO 0.02 0.38 0.64 0.45 0.02 0.00 0.00 175.26 176.77 3ifb s SER 52 N -3.62 -0.61 0.03 -0.19 0.15 -0.17 -2.19 113.70 107.10 3ifb s SER 52 Ca 0.31 0.55 -0.27 0.00 0.70 0.00 0.00 55.95 57.24 3ifb s SER 52 Cb -0.07 0.53 0.09 0.00 -1.71 0.00 0.00 66.02 64.86 3ifb s SER 52 CO 0.21 -0.66 0.79 -0.55 1.20 0.00 0.00 173.24 174.23 3ifb s SER 53 N -1.46 -0.45 0.60 5.45 0.15 -1.24 -0.14 113.70 116.61 3ifb s SER 53 Ca -0.09 0.09 0.29 0.00 0.70 0.00 0.00 55.95 56.94 3ifb s SER 53 Cb -0.00 0.45 1.62 0.00 -1.71 0.00 0.00 66.02 66.38 3ifb s SER 53 CO 0.06 -0.70 2.03 0.00 1.20 0.00 0.00 173.24 175.83 3ifb h ALA 54 N 2.12 1.87 0.15 5.45 0.00 -1.74 -1.99 119.26 125.11 3ifb h ALA 54 Ca -0.26 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 3ifb h ALA 54 Cb 1.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.06 3ifb h ALA 54 CO 0.34 -0.42 -0.07 0.74 0.00 0.00 0.00 179.25 179.83 3ifb h PHE 55 N 0.00 -0.19 -1.27 0.00 0.04 -1.94 -3.49 116.94 110.09 3ifb h PHE 55 Ca 0.12 -0.00 0.17 0.00 2.80 0.00 0.00 57.97 61.05 3ifb h PHE 55 Cb 0.70 0.06 -0.27 0.00 2.20 0.00 0.00 35.95 38.65 3ifb h PHE 55 CO 0.00 -0.12 0.77 0.50 -0.60 0.00 0.00 178.31 178.86 3ifb s ARG 56 N -3.39 0.28 0.10 1.51 6.06 -0.75 -4.72 118.95 118.03 3ifb s ARG 56 Ca -0.03 0.11 -0.30 0.00 -2.50 0.00 0.00 55.73 53.00 3ifb s ARG 56 Cb 0.00 0.13 -0.06 0.00 0.06 0.00 0.00 34.95 35.08 3ifb s ARG 56 CO 0.09 -0.08 1.19 0.54 -2.50 0.00 0.00 175.30 174.54 3ifb s ASN 57 N -0.83 7.10 -0.01 -2.12 2.20 -1.26 -3.60 114.94 116.42 3ifb s ASN 57 Ca 0.05 2.07 0.01 0.00 -0.94 0.00 0.00 52.86 54.04 3ifb s ASN 57 Cb -0.02 -2.59 0.00 0.00 -2.00 0.00 0.00 41.25 36.65 3ifb s ASN 57 CO -0.05 -0.43 -0.04 0.27 -2.94 0.00 0.00 177.10 173.91 3ifb s ILE 58 N 0.71 0.30 -0.09 0.54 -4.36 -0.93 -5.01 121.20 112.36 3ifb s ILE 58 Ca 0.57 -0.14 -0.15 0.00 -0.26 0.00 0.00 60.65 60.67 3ifb s ILE 58 Cb -0.30 -0.27 -0.05 0.00 1.25 0.00 0.00 42.46 43.09 3ifb s ILE 58 CO 0.31 0.09 0.36 -0.70 0.24 0.00 0.00 174.94 175.25 3ifb s GLU 59 N 0.03 4.10 0.07 0.37 -6.30 -1.26 -1.79 118.70 113.92 3ifb s GLU 59 Ca 0.00 0.27 0.07 0.00 -2.50 0.00 0.00 54.97 52.81 3ifb s GLU 59 Cb -0.03 -3.34 -0.03 0.00 0.00 0.00 0.00 34.13 30.73 3ifb s GLU 59 CO -0.00 0.42 -0.19 0.08 0.02 0.00 0.00 175.26 175.59 3ifb s VAL 60 N -0.14 1.50 0.01 3.70 1.01 0.14 -4.97 120.40 121.66 3ifb s VAL 60 Ca 0.21 -1.34 -0.07 0.00 0.00 0.00 0.00 61.98 60.78 3ifb s VAL 60 Cb -0.15 -1.36 -0.00 0.00 0.00 0.00 0.00 36.38 34.87 3ifb s VAL 60 CO 0.09 -0.03 0.12 0.54 0.00 0.00 0.00 175.10 175.82 3ifb s VAL 61 N -1.06 0.09 0.18 2.92 0.11 -1.26 -1.05 120.40 120.33 3ifb s VAL 61 Ca 0.04 -0.76 -0.10 0.00 -2.93 0.00 0.00 61.98 58.23 3ifb s VAL 61 Cb -0.09 -0.48 -0.00 0.00 -1.53 0.00 0.00 36.38 34.27 3ifb s VAL 61 CO 0.03 -0.42 0.34 0.72 -3.33 0.00 0.00 175.10 172.44 3ifb s PHE 62 N -1.55 0.34 -0.49 1.54 -0.12 -0.80 -4.95 117.98 111.96 3ifb s PHE 62 Ca -0.14 -0.70 0.06 0.00 -0.05 0.00 0.00 56.93 56.11 3ifb s PHE 62 Cb -0.07 0.02 0.23 0.00 -0.63 0.00 0.00 43.02 42.58 3ifb s PHE 62 CO 0.01 -0.78 0.83 -1.91 -0.05 0.00 0.00 175.22 173.32 3ifb n GLU 63 N -0.26 0.73 -1.06 1.99 2.13 -1.26 -1.68 120.64 121.23 3ifb n GLU 63 Ca -0.07 -1.91 -0.02 0.00 0.66 0.00 0.00 57.16 55.82 3ifb n GLU 63 Cb 0.63 -1.45 -0.01 0.00 0.27 0.00 0.00 31.44 30.88 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 1.84 0.12 0.00 4.31 0.00 -1.26 -4.46 117.00 117.55 3ifb n LEU 64 Ca 0.12 0.05 0.00 0.00 0.00 0.00 0.00 56.01 56.18 3ifb n LEU 64 Cb 0.61 -1.30 0.00 0.00 0.00 0.00 0.00 43.42 42.73 3ifb n LEU 64 CO 0.04 -0.39 0.00 0.61 0.00 0.00 0.00 177.39 177.65 3ifb n GLY 65 N -1.63 0.30 3.21 -3.96 0.00 -0.55 -4.81 105.19 97.76 3ifb n GLY 65 Ca -0.02 -0.36 -0.23 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 1.47 -0.06 1.61 1.01 -1.09 -4.92 120.40 118.42 3ifb s VAL 66 Ca 0.00 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.83 3ifb s VAL 66 Cb 0.00 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 35.05 3ifb s VAL 66 CO 0.00 0.12 0.00 -0.89 0.00 0.00 0.00 175.10 174.34 3ifb s THR 67 N -0.83 4.29 -0.11 3.92 2.01 -1.26 -2.13 115.64 121.53 3ifb s THR 67 Ca 0.05 -0.34 -0.32 0.00 0.31 0.00 0.00 61.69 61.40 3ifb s THR 67 Cb -0.08 -2.83 0.12 0.00 0.01 0.00 0.00 72.50 69.71 3ifb s THR 67 CO 0.02 0.54 1.05 0.72 -0.69 0.00 0.00 174.62 176.26 3ifb s PHE 68 N -0.95 -0.24 0.13 4.92 -0.71 -0.40 -4.95 117.98 115.77 3ifb s PHE 68 Ca 0.15 0.18 -0.26 0.00 -1.04 0.00 0.00 56.93 55.97 3ifb s PHE 68 Cb -0.11 0.52 -0.07 0.00 -1.21 0.00 0.00 43.02 42.15 3ifb s PHE 68 CO 0.05 -0.36 0.80 -0.80 -1.34 0.00 0.00 175.22 173.56 3ifb s ASN 69 N -2.20 7.35 -0.03 1.98 -0.87 -1.26 -1.58 114.94 118.33 3ifb s ASN 69 Ca 0.06 1.61 0.04 0.00 -1.57 0.00 0.00 52.86 53.01 3ifb s ASN 69 Cb -0.01 -2.50 -0.03 0.00 -0.02 0.00 0.00 41.25 38.69 3ifb s ASN 69 CO -0.06 0.12 -0.14 -0.47 -2.57 0.00 0.00 177.10 173.98 3ifb s TYR 70 N -0.69 2.69 0.24 2.20 6.14 -0.86 -4.99 117.35 122.08 3ifb s TYR 70 Ca 0.38 -0.17 0.08 0.00 0.64 0.00 0.00 57.07 58.00 3ifb s TYR 70 Cb -0.22 -1.60 -0.05 0.00 0.42 0.00 0.00 41.96 40.51 3ifb s TYR 70 CO 0.26 0.21 -0.13 -0.80 0.64 0.00 0.00 175.55 175.73 3ifb s ASN 71 N -0.90 2.79 -0.06 4.32 -0.87 -1.26 -1.28 114.94 117.68 3ifb s ASN 71 Ca 0.12 -1.07 0.05 0.00 -1.57 0.00 0.00 52.86 50.39 3ifb s ASN 71 Cb -0.11 -0.17 -0.00 0.00 -0.02 0.00 0.00 41.25 40.95 3ifb s ASN 71 CO 0.02 -0.19 -0.20 -0.22 -2.57 0.00 0.00 177.10 173.93 3ifb s LEU 72 N -3.39 1.97 0.56 0.60 2.96 -0.88 -4.96 118.68 115.54 3ifb s LEU 72 Ca 0.26 -0.43 0.33 0.00 -0.22 0.00 0.00 54.13 54.06 3ifb s LEU 72 Cb 0.00 -1.16 1.46 0.00 0.50 0.00 0.00 46.19 46.99 3ifb s LEU 72 CO 0.10 0.17 1.78 0.00 -1.32 0.00 0.00 176.35 177.08 3ifb h ALA 73 N 6.32 2.82 -0.90 5.97 0.00 -1.90 0.41 119.26 131.98 3ifb h ALA 73 Ca -0.30 -0.03 0.23 0.00 0.00 0.00 0.00 54.91 54.81 3ifb h ALA 73 Cb 1.19 0.07 -0.13 0.00 0.00 0.00 0.00 17.79 18.91 3ifb h ALA 73 CO 0.47 -1.26 0.36 0.22 0.00 0.00 0.00 179.25 179.04 3ifb h ASP 74 N 0.00 0.24 0.00 0.00 3.58 -1.95 -3.44 116.42 114.85 3ifb h ASP 74 Ca 0.45 0.17 0.00 0.00 0.42 0.00 0.00 57.03 58.07 3ifb h ASP 74 Cb 2.00 0.18 0.00 0.00 1.72 0.00 0.00 39.33 43.22 3ifb h ASP 74 CO -0.00 -0.06 0.00 0.61 -2.88 0.00 0.00 179.24 176.90 3ifb n GLY 75 N -1.34 0.42 3.52 -0.78 0.00 0.14 -5.17 105.19 101.98 3ifb n GLY 75 Ca 0.23 -0.55 -0.09 0.00 0.00 0.00 0.00 46.02 45.60 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 0.00 0.02 -0.10 2.61 2.01 -0.94 -4.96 115.64 114.29 3ifb s THR 76 Ca 0.00 -1.19 -0.04 0.00 0.31 0.00 0.00 61.69 60.77 3ifb s THR 76 Cb 0.00 -1.92 0.05 0.00 0.01 0.00 0.00 72.50 70.64 3ifb s THR 76 CO 0.00 -0.11 0.19 -1.61 -0.69 0.00 0.00 174.62 172.40 3ifb s GLU 77 N -3.96 0.07 0.38 4.92 2.02 -1.26 -2.07 118.70 118.81 3ifb s GLU 77 Ca 0.17 0.61 0.08 0.00 0.02 0.00 0.00 54.97 55.84 3ifb s GLU 77 Cb -0.00 -0.20 -0.04 0.00 0.10 0.00 0.00 34.13 33.99 3ifb s GLU 77 CO 0.03 -0.29 0.21 -0.51 0.02 0.00 0.00 175.26 174.72 3ifb s LEU 78 N 2.24 3.24 0.02 1.80 1.02 -0.41 -2.94 118.68 123.66 3ifb s LEU 78 Ca 0.02 -0.88 0.03 0.00 0.02 0.00 0.00 54.13 53.32 3ifb s LEU 78 Cb -0.12 -1.70 -0.01 0.00 0.02 0.00 0.00 46.19 44.38 3ifb s LEU 78 CO -0.07 -0.47 -0.09 -0.60 0.02 0.00 0.00 176.35 175.15 3ifb s ARG 79 N -3.93 0.65 0.25 1.70 3.52 0.38 -2.02 118.95 119.50 3ifb s ARG 79 Ca 0.41 -0.51 -0.17 0.00 -0.13 0.00 0.00 55.73 55.33 3ifb s ARG 79 Cb -0.00 -0.58 0.01 0.00 -1.56 0.00 0.00 34.95 32.82 3ifb s ARG 79 CO 0.24 0.14 0.59 0.20 -0.81 0.00 0.00 175.30 175.66 3ifb s GLY 80 N -0.78 0.18 0.35 8.12 0.00 -0.61 0.24 107.32 114.82 3ifb s GLY 80 Ca -0.01 -0.55 0.07 0.00 0.00 0.00 0.00 44.72 44.24 3ifb s GLY 80 CO 0.00 -0.34 0.44 -0.51 0.00 0.00 0.00 173.10 172.69 3ifb s THR 81 N -3.96 3.71 -0.04 0.90 -4.23 0.09 -1.27 115.64 110.84 3ifb s THR 81 Ca 0.16 -1.10 -0.07 0.00 -1.18 0.00 0.00 61.69 59.50 3ifb s THR 81 Cb -0.03 -3.27 0.01 0.00 1.34 0.00 0.00 72.50 70.55 3ifb s THR 81 CO 0.07 -0.13 0.18 0.26 -0.54 0.00 0.00 174.62 174.46 3ifb s TRP 82 N -2.25 -0.11 -0.11 3.99 0.23 -0.91 -1.98 118.94 117.80 3ifb s TRP 82 Ca 0.46 0.25 -0.24 0.00 -2.03 0.00 0.00 56.10 54.54 3ifb s TRP 82 Cb -0.08 0.03 0.06 0.00 0.03 0.00 0.00 33.47 33.50 3ifb s TRP 82 CO 0.30 -0.19 0.58 0.45 0.96 0.00 0.00 176.95 179.05 3ifb s SER 83 N -0.55 -0.55 0.30 2.95 0.15 -0.44 -1.48 113.70 114.08 3ifb s SER 83 Ca -0.06 0.78 -0.26 0.00 0.70 0.00 0.00 55.95 57.10 3ifb s SER 83 Cb -0.04 0.75 -0.10 0.00 -1.71 0.00 0.00 66.02 64.93 3ifb s SER 83 CO 0.01 -0.43 0.92 -0.22 1.20 0.00 0.00 173.24 174.73 3ifb s LEU 84 N -0.65 4.38 0.27 3.45 1.98 -1.26 -0.96 118.68 125.89 3ifb s LEU 84 Ca -0.07 1.82 -0.14 0.00 -2.89 0.00 0.00 54.13 52.84 3ifb s LEU 84 Cb -0.03 -3.92 0.00 0.00 0.66 0.00 0.00 46.19 42.91 3ifb s LEU 84 CO 0.05 -0.03 0.55 -1.83 -1.89 0.00 0.00 176.35 173.21 3ifb s GLU 85 N -1.92 1.67 0.21 1.98 -1.05 -1.26 -4.94 118.70 113.38 3ifb s GLU 85 Ca 0.48 -1.24 -0.09 0.00 -0.15 0.00 0.00 54.97 53.97 3ifb s GLU 85 Cb -0.19 0.51 0.24 0.00 -0.44 0.00 0.00 34.13 34.24 3ifb s GLU 85 CO 0.25 -0.72 1.80 0.78 0.95 0.00 0.00 175.26 178.32 3ifb h GLY 86 N 2.17 0.94 -1.65 -3.83 0.00 -2.03 -0.38 103.07 98.29 3ifb h GLY 86 Ca -0.25 -0.23 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 3ifb h GLY 86 CO 0.33 0.13 0.02 0.70 0.00 0.00 0.00 176.54 177.71 3ifb n ASN 87 N -4.82 2.21 -1.23 0.19 3.02 -1.26 -5.01 115.26 108.36 3ifb n ASN 87 Ca 0.08 -2.06 0.15 0.00 -0.03 0.00 0.00 54.58 52.72 3ifb n ASN 87 Cb 0.19 -0.51 -0.08 0.00 -0.61 0.00 0.00 39.78 38.76 3ifb n ASN 87 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3ifb n LYS 88 N 0.25 -2.84 -1.74 3.52 5.02 -0.16 -4.85 118.16 117.35 3ifb n LYS 88 Ca 0.02 2.33 -0.42 0.00 -2.02 0.00 0.00 58.31 58.22 3ifb n LYS 88 Cb 0.43 -3.32 -0.01 0.00 -0.02 0.00 0.00 35.03 32.11 3ifb n LYS 88 CO 0.00 0.00 0.00 -0.11 -0.52 0.00 0.00 177.40 176.77 3ifb n LEU 89 N -4.00 4.29 -4.41 -0.35 7.94 0.21 -4.54 117.00 116.15 3ifb n LEU 89 Ca -0.08 1.18 -0.36 0.00 -1.11 0.00 0.00 56.01 55.64 3ifb n LEU 89 Cb 0.58 -1.58 -0.13 0.00 0.53 0.00 0.00 43.42 42.83 3ifb n LEU 89 CO 0.03 0.04 -0.32 -0.51 -1.11 0.00 0.00 177.39 175.52 3ifb s ILE 90 N -0.43 3.94 0.14 1.96 2.07 -0.14 -2.38 121.20 126.37 3ifb s ILE 90 Ca 0.61 -0.30 0.04 0.00 -1.41 0.00 0.00 60.65 59.59 3ifb s ILE 90 Cb -0.51 -2.82 -0.04 0.00 0.13 0.00 0.00 42.46 39.22 3ifb s ILE 90 CO 0.54 0.39 -0.11 -0.83 -1.91 0.00 0.00 174.94 173.02 3ifb s GLY 91 N 1.41 1.04 -0.28 1.50 0.00 -0.83 -1.33 107.32 108.83 3ifb s GLY 91 Ca 0.05 -1.43 0.01 0.00 0.00 0.00 0.00 44.72 43.35 3ifb s GLY 91 CO 0.01 -1.53 0.41 1.25 0.00 0.00 0.00 173.10 173.25 3ifb s LYS 92 N -3.51 0.41 0.60 2.90 2.36 -0.84 -1.07 119.74 120.59 3ifb s LYS 92 Ca 0.14 0.21 0.06 0.00 -2.55 0.00 0.00 55.97 53.84 3ifb s LYS 92 Cb 0.01 -0.30 0.09 0.00 -1.05 0.00 0.00 37.83 36.58 3ifb s LYS 92 CO 0.01 -0.97 0.83 -0.06 1.55 0.00 0.00 175.35 176.70 3ifb s PHE 93 N 2.56 1.64 -0.26 4.03 0.40 0.21 -0.73 117.98 125.83 3ifb s PHE 93 Ca 0.10 -0.54 -0.26 0.00 -0.60 0.00 0.00 56.93 55.63 3ifb s PHE 93 Cb -0.13 -2.47 0.12 0.00 0.51 0.00 0.00 43.02 41.04 3ifb s PHE 93 CO -0.28 -1.24 0.99 -1.59 0.70 0.00 0.00 175.22 173.80 3ifb s LYS 94 N -4.78 0.57 0.30 0.44 0.00 0.14 0.17 119.74 116.57 3ifb s LYS 94 Ca 0.62 0.57 -0.29 0.00 0.00 0.00 0.00 55.97 56.87 3ifb s LYS 94 Cb -0.06 0.27 -0.10 0.00 0.00 0.00 0.00 37.83 37.94 3ifb s LYS 94 CO 0.40 -0.09 1.40 0.50 0.00 0.00 0.00 175.35 177.56 3ifb s ARG 95 N 0.02 4.28 0.00 1.78 6.06 -0.62 -0.47 118.95 129.99 3ifb s ARG 95 Ca 0.02 2.32 0.31 0.00 -2.50 0.00 0.00 55.73 55.87 3ifb s ARG 95 Cb -0.04 -3.07 1.61 0.00 0.06 0.00 0.00 34.95 33.51 3ifb s ARG 95 CO -0.04 -0.35 2.07 -2.37 -2.50 0.00 0.00 175.30 172.11 3ifb n THR 96 N 1.40 0.00 -2.36 4.11 5.66 -1.15 -2.99 114.28 118.95 3ifb n THR 96 Ca 0.03 -0.05 -0.19 0.00 -3.05 0.00 0.00 64.05 60.79 3ifb n THR 96 Cb 0.41 -0.27 0.02 0.00 -1.55 0.00 0.00 70.33 68.94 3ifb n THR 96 CO 0.00 0.00 0.00 -0.67 -3.05 0.00 0.00 175.07 171.35 3ifb n ASP 97 N -0.83 3.93 0.00 1.09 2.03 -1.26 -4.87 116.55 116.64 3ifb n ASP 97 Ca 0.20 -3.34 0.00 0.00 0.52 0.00 0.00 54.79 52.17 3ifb n ASP 97 Cb 0.19 -0.42 0.00 0.00 -0.72 0.00 0.00 41.12 40.17 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 -0.56 0.00 -0.01 1.67 2.85 -1.26 -4.99 115.26 112.97 3ifb n ASN 98 Ca 0.33 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.80 3ifb n ASN 98 Cb 0.84 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.86 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 0.00 0.82 3.10 8.20 0.00 -1.16 -4.99 105.19 111.15 3ifb n GLY 99 Ca 0.00 -0.65 -0.40 0.00 0.00 0.00 0.00 46.02 44.97 3ifb n GLY 99 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3ifb n ASN 100 N 1.45 5.19 0.00 1.61 5.03 -1.26 -4.79 115.26 122.49 3ifb n ASN 100 Ca 0.00 -3.20 0.00 0.00 0.87 0.00 0.00 54.58 52.25 3ifb n ASN 100 Cb 0.36 -1.19 0.00 0.00 -1.02 0.00 0.00 39.78 37.94 3ifb n ASN 100 CO 0.00 0.00 0.00 -1.84 -1.83 0.00 0.00 177.26 173.59 3ifb n GLU 101 N 2.04 0.00 -3.73 3.52 0.28 -1.26 -1.60 120.64 119.90 3ifb n GLU 101 Ca 0.24 0.00 -0.10 0.00 -0.16 0.00 0.00 57.16 57.14 3ifb n GLU 101 Cb 0.37 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 33.18 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 0.00 0.82 -0.51 -1.84 0.20 0.13 -4.05 118.68 113.43 3ifb s LEU 102 Ca 0.00 -0.43 0.03 0.00 0.69 0.00 0.00 54.13 54.42 3ifb s LEU 102 Cb 0.00 1.50 0.15 0.00 -0.43 0.00 0.00 46.19 47.42 3ifb s LEU 102 CO 0.00 -0.79 0.34 0.20 -0.29 0.00 0.00 176.35 175.81 3ifb s ASN 103 N -2.77 3.35 0.74 3.68 0.01 0.53 0.66 114.94 121.14 3ifb s ASN 103 Ca 0.03 -3.09 -0.11 0.00 -0.71 0.00 0.00 52.86 48.98 3ifb s ASN 103 Cb 0.03 -1.03 0.04 0.00 0.41 0.00 0.00 41.25 40.70 3ifb s ASN 103 CO -0.11 -0.19 1.08 0.42 -1.51 0.00 0.00 177.10 176.80 3ifb s THR 104 N -0.23 3.47 -0.02 1.60 -4.23 -0.24 -2.20 115.64 113.80 3ifb s THR 104 Ca 0.24 0.48 -0.06 0.00 -1.18 0.00 0.00 61.69 61.17 3ifb s THR 104 Cb -0.11 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.44 3ifb s THR 104 CO -0.10 -0.62 0.12 -0.69 -0.54 0.00 0.00 174.62 172.78 3ifb s VAL 105 N -3.18 0.06 -0.03 2.29 1.01 0.25 -1.96 120.40 118.85 3ifb s VAL 105 Ca 0.59 -0.46 0.01 0.00 0.00 0.00 0.00 61.98 62.13 3ifb s VAL 105 Cb -0.13 -0.33 0.02 0.00 0.00 0.00 0.00 36.38 35.94 3ifb s VAL 105 CO 0.54 -0.25 -0.03 -0.13 0.00 0.00 0.00 175.10 175.22 3ifb s ARG 106 N -0.85 0.55 -0.27 2.72 0.52 -1.00 -1.81 118.95 118.80 3ifb s ARG 106 Ca -0.09 -0.08 -0.25 0.00 -0.52 0.00 0.00 55.73 54.79 3ifb s ARG 106 Cb -0.05 -0.60 0.12 0.00 0.52 0.00 0.00 34.95 34.94 3ifb s ARG 106 CO 0.01 -0.04 1.04 -1.83 0.02 0.00 0.00 175.30 174.50 3ifb s GLU 107 N 0.62 0.50 -0.03 3.54 -1.05 -0.79 0.65 118.70 122.14 3ifb s GLU 107 Ca -0.07 0.55 -0.30 0.00 -0.15 0.00 0.00 54.97 55.00 3ifb s GLU 107 Cb -0.11 0.24 -0.04 0.00 -0.44 0.00 0.00 34.13 33.79 3ifb s GLU 107 CO -0.00 -0.07 1.20 -1.50 0.95 0.00 0.00 175.26 175.84 3ifb s ILE 108 N 0.14 4.23 -0.42 1.83 1.10 -1.26 -0.37 121.20 126.44 3ifb s ILE 108 Ca 0.03 1.57 -0.14 0.00 -0.51 0.00 0.00 60.65 61.60 3ifb s ILE 108 Cb -0.05 -4.01 0.04 0.00 0.15 0.00 0.00 42.46 38.60 3ifb s ILE 108 CO -0.06 0.02 0.31 -0.51 -2.11 0.00 0.00 174.94 172.59 3ifb s ILE 109 N 1.99 5.03 0.00 2.00 2.07 0.22 -4.83 121.20 127.68 3ifb s ILE 109 Ca 0.56 -0.90 0.00 0.00 -1.41 0.00 0.00 60.65 58.91 3ifb s ILE 109 Cb -0.25 -3.89 0.00 0.00 0.13 0.00 0.00 42.46 38.45 3ifb s ILE 109 CO 0.23 -0.40 0.00 0.61 -1.91 0.00 0.00 174.94 173.47 3ifb n GLY 110 N 5.12 1.62 0.90 1.50 0.00 -1.26 -0.18 105.19 112.89 3ifb n GLY 110 Ca -0.12 0.33 0.06 0.00 0.00 0.00 0.00 46.02 46.30 3ifb n GLY 110 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3ifb n ASP 111 N 11.56 3.60 -4.35 1.61 5.75 -1.26 -4.98 116.55 128.48 3ifb n ASP 111 Ca 0.00 -3.14 -0.25 0.00 -0.01 0.00 0.00 54.79 51.39 3ifb n ASP 111 Cb 0.00 -0.56 -0.12 0.00 -1.03 0.00 0.00 41.12 39.41 3ifb n ASP 111 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 3ifb s GLU 112 N -2.90 1.30 -0.41 0.11 8.01 0.74 -3.99 118.70 121.56 3ifb s GLU 112 Ca 0.42 -1.33 -0.13 0.00 0.01 0.00 0.00 54.97 53.93 3ifb s GLU 112 Cb 0.35 -1.58 0.04 0.00 -4.31 0.00 0.00 34.13 28.62 3ifb s GLU 112 CO 0.07 0.35 0.29 -1.17 0.01 0.00 0.00 175.26 174.81 3ifb s LEU 113 N -2.27 5.09 0.66 1.80 0.20 -0.94 0.71 118.68 123.93 3ifb s LEU 113 Ca 0.13 -1.05 -0.09 0.00 0.69 0.00 0.00 54.13 53.81 3ifb s LEU 113 Cb -0.09 -2.11 0.02 0.00 -0.43 0.00 0.00 46.19 43.58 3ifb s LEU 113 CO 0.06 -0.47 1.02 -0.69 -0.29 0.00 0.00 176.35 175.98 3ifb s VAL 114 N 1.62 3.43 -0.02 1.68 1.01 0.50 -0.73 120.40 127.89 3ifb s VAL 114 Ca 0.04 0.24 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3ifb s VAL 114 Cb -0.20 -3.42 0.01 0.00 0.00 0.00 0.00 36.38 32.76 3ifb s VAL 114 CO 0.08 -0.51 0.19 -1.58 0.00 0.00 0.00 175.10 173.28 3ifb s GLN 115 N -5.22 0.48 -0.02 2.72 0.74 0.07 -1.88 119.66 116.54 3ifb s GLN 115 Ca 0.57 -0.21 0.03 0.00 0.05 0.00 0.00 55.36 55.80 3ifb s GLN 115 Cb -0.11 0.21 -0.00 0.00 1.10 0.00 0.00 33.01 34.21 3ifb s GLN 115 CO 0.49 -0.11 -0.11 0.95 -0.55 0.00 0.00 175.29 175.96 3ifb s THR 116 N -1.07 0.90 -0.11 -0.34 -4.23 -0.75 -0.10 115.64 109.94 3ifb s THR 116 Ca -0.11 -0.45 -0.02 0.00 -1.18 0.00 0.00 61.69 59.93 3ifb s THR 116 Cb -0.06 -0.78 0.04 0.00 1.34 0.00 0.00 72.50 73.05 3ifb s THR 116 CO 0.02 0.27 0.03 -0.31 -0.54 0.00 0.00 174.62 174.09 3ifb s TYR 117 N 0.00 0.58 -0.05 3.99 1.51 -0.24 0.88 117.35 124.03 3ifb s TYR 117 Ca -0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 3ifb s TYR 117 Cb -0.07 -0.78 0.03 0.00 -0.11 0.00 0.00 41.96 41.02 3ifb s TYR 117 CO 0.00 -0.40 0.01 0.54 -1.11 0.00 0.00 175.55 174.59 3ifb s VAL 118 N 2.00 0.24 0.37 0.71 0.11 -0.93 -1.88 120.40 121.02 3ifb s VAL 118 Ca 0.03 0.14 0.08 0.00 -2.93 0.00 0.00 61.98 59.30 3ifb s VAL 118 Cb -0.14 -0.38 -0.03 0.00 -1.53 0.00 0.00 36.38 34.30 3ifb s VAL 118 CO -0.06 0.20 0.26 -0.47 -3.33 0.00 0.00 175.10 171.71 3ifb s TYR 119 N 1.57 2.76 -1.29 1.54 5.04 -0.11 -0.34 117.35 126.51 3ifb s TYR 119 Ca -0.02 -0.41 0.00 0.00 -2.44 0.00 0.00 57.07 54.20 3ifb s TYR 119 Cb -0.13 -1.89 0.00 0.00 0.35 0.00 0.00 41.96 40.30 3ifb s TYR 119 CO -0.03 0.14 0.73 -0.85 -1.34 0.00 0.00 175.55 174.19 3ifb n GLU 120 N -1.35 0.00 -0.13 4.97 0.28 -1.26 -1.30 120.64 121.85 3ifb n GLU 120 Ca -0.00 0.25 -0.24 0.00 -0.16 0.00 0.00 57.16 57.01 3ifb n GLU 120 Cb 0.61 -1.53 -0.11 0.00 1.43 0.00 0.00 31.44 31.84 3ifb n GLU 120 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 3ifb n GLY 121 N -1.23 -0.43 3.44 -1.84 0.00 -1.26 -5.12 105.19 98.75 3ifb n GLY 121 Ca 0.00 -0.15 -0.12 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.51 0.00 0.26 1.61 1.01 -0.42 -5.18 120.40 115.18 3ifb s VAL 122 Ca -0.36 0.00 0.10 0.00 0.00 0.00 0.00 61.98 61.72 3ifb s VAL 122 Cb 0.12 -1.00 -0.05 0.00 0.00 0.00 0.00 36.38 35.45 3ifb s VAL 122 CO 0.55 0.00 -0.08 -1.83 0.00 0.00 0.00 175.10 173.75 3ifb s GLU 123 N -3.51 2.07 0.14 2.72 4.04 -1.26 -0.93 118.70 121.96 3ifb s GLU 123 Ca 0.01 -1.52 -0.24 0.00 0.04 0.00 0.00 54.97 53.25 3ifb s GLU 123 Cb -0.01 -2.03 0.08 0.00 0.02 0.00 0.00 34.13 32.19 3ifb s GLU 123 CO -0.11 0.36 1.08 0.00 -1.84 0.00 0.00 175.26 174.75 3ifb s ALA 124 N -2.33 -1.78 0.24 -0.84 0.00 -0.79 -4.81 121.76 111.45 3ifb s ALA 124 Ca 0.30 -0.13 -0.22 0.00 0.00 0.00 0.00 51.96 51.91 3ifb s ALA 124 Cb -0.06 0.73 0.04 0.00 0.00 0.00 0.00 23.12 23.82 3ifb s ALA 124 CO 0.18 -1.07 0.71 -1.59 0.00 0.00 0.00 175.76 173.99 3ifb s LYS 125 N -2.33 1.60 0.17 0.00 -2.85 -1.19 -1.08 119.74 114.05 3ifb s LYS 125 Ca 0.21 -0.82 0.03 0.00 -1.00 0.00 0.00 55.97 54.39 3ifb s LYS 125 Cb -0.01 0.59 -0.05 0.00 -2.06 0.00 0.00 37.83 36.30 3ifb s LYS 125 CO 0.03 -0.73 -0.05 1.03 0.10 0.00 0.00 175.35 175.74 3ifb s ARG 126 N -3.82 1.10 -0.10 1.78 0.52 0.86 0.39 118.95 119.68 3ifb s ARG 126 Ca 0.08 -1.51 0.03 0.00 -0.52 0.00 0.00 55.73 53.82 3ifb s ARG 126 Cb -0.04 -0.46 0.01 0.00 0.52 0.00 0.00 34.95 34.97 3ifb s ARG 126 CO 0.01 -0.03 -0.19 0.42 0.02 0.00 0.00 175.30 175.53 3ifb s ILE 127 N -3.48 1.75 0.30 1.52 1.09 -0.90 -0.75 121.20 120.71 3ifb s ILE 127 Ca 0.21 -0.82 0.09 0.00 -1.10 0.00 0.00 60.65 59.02 3ifb s ILE 127 Cb 0.05 -1.55 -0.04 0.00 -1.06 0.00 0.00 42.46 39.86 3ifb s ILE 127 CO 0.02 0.49 0.06 -0.36 -0.10 0.00 0.00 174.94 175.05 3ifb s PHE 128 N 0.62 2.71 0.05 3.97 0.40 0.09 -1.86 117.98 123.95 3ifb s PHE 128 Ca -0.14 -0.29 -0.00 0.00 -0.60 0.00 0.00 56.93 55.90 3ifb s PHE 128 Cb -0.16 -1.38 -0.03 0.00 0.51 0.00 0.00 43.02 41.95 3ifb s PHE 128 CO 0.04 0.51 -0.03 0.21 0.70 0.00 0.00 175.22 176.64 3ifb s LYS 129 N -3.74 0.54 -1.10 0.44 2.36 -0.22 -2.22 119.74 115.80 3ifb s LYS 129 Ca 0.34 -1.05 -0.25 0.00 -2.55 0.00 0.00 55.97 52.45 3ifb s LYS 129 Cb -0.05 0.14 -0.17 0.00 -1.05 0.00 0.00 37.83 36.70 3ifb s LYS 129 CO 0.21 -0.08 2.07 0.21 1.55 0.00 0.00 175.35 179.31 3ifb s LYS 130 N -3.19 1.65 0.00 4.03 2.47 -1.26 -2.28 119.74 121.16 3ifb s LYS 130 Ca 0.01 -0.62 0.00 0.00 -1.56 0.00 0.00 55.97 53.80 3ifb s LYS 130 Cb 0.02 -5.06 0.00 0.00 -1.46 0.00 0.00 37.83 31.34 3ifb s LYS 130 CO -0.07 -4.92 0.00 -0.40 0.16 0.00 0.00 175.35 170.12