#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ifc n PHE 2 N 0.00 0.29 -1.72 0.00 3.72 -1.26 -4.98 117.46 113.51 1ifc n PHE 2 Ca 0.00 0.08 -0.43 0.00 -0.05 0.00 0.00 57.45 57.06 1ifc n PHE 2 Cb 0.00 -0.45 -0.02 0.00 -0.94 0.00 0.00 39.48 38.07 1ifc n PHE 2 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ifc n ASP 3 N -1.92 3.42 0.00 4.37 9.92 -1.26 -4.63 116.55 126.45 1ifc n ASP 3 Ca 0.03 1.16 0.00 0.00 -0.53 0.00 0.00 54.79 55.44 1ifc n ASP 3 Cb 0.42 -1.53 0.00 0.00 -0.64 0.00 0.00 41.12 39.37 1ifc n ASP 3 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1ifc n GLY 4 N 1.93 0.61 3.59 0.44 0.00 -0.94 -4.95 105.19 105.87 1ifc n GLY 4 Ca 0.09 -2.24 -0.34 0.00 0.00 0.00 0.00 46.02 43.53 1ifc n GLY 4 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ifc s THR 5 N -0.67 4.26 -0.02 2.61 2.01 -1.26 -0.86 115.64 121.71 1ifc s THR 5 Ca 0.00 -0.24 0.04 0.00 0.31 0.00 0.00 61.69 61.81 1ifc s THR 5 Cb 0.00 -2.86 -0.01 0.00 0.01 0.00 0.00 72.50 69.64 1ifc s THR 5 CO 0.00 0.52 -0.15 0.26 -0.69 0.00 0.00 174.62 174.56 1ifc s TRP 6 N -0.01 1.40 -0.06 4.92 0.52 0.67 -0.76 118.94 125.62 1ifc s TRP 6 Ca 0.03 -0.30 0.04 0.00 0.02 0.00 0.00 56.10 55.89 1ifc s TRP 6 Cb -0.13 -0.92 -0.00 0.00 -1.15 0.00 0.00 33.47 31.27 1ifc s TRP 6 CO 0.02 -0.06 -0.19 0.21 0.02 0.00 0.00 176.95 176.95 1ifc s LYS 7 N -0.23 2.18 0.32 4.98 2.47 -0.15 -0.40 119.74 128.91 1ifc s LYS 7 Ca 0.03 -0.69 -0.29 0.00 -1.56 0.00 0.00 55.97 53.46 1ifc s LYS 7 Cb -0.07 -1.80 -0.12 0.00 -1.46 0.00 0.00 37.83 34.38 1ifc s LYS 7 CO 0.00 0.23 1.53 1.55 0.16 0.00 0.00 175.35 178.81 1ifc n VAL 8 N 3.28 1.40 -0.05 4.02 3.14 -0.65 -1.03 118.33 128.44 1ifc n VAL 8 Ca -0.19 -0.35 -0.10 0.00 -2.96 0.00 0.00 64.34 60.74 1ifc n VAL 8 Cb 0.53 -1.91 -0.04 0.00 -1.06 0.00 0.00 33.84 31.35 1ifc n VAL 8 CO 0.00 0.00 0.00 -0.67 -6.46 0.00 0.00 176.83 169.70 1ifc n ASP 9 N 1.51 1.82 -3.54 6.55 2.03 0.18 -4.82 116.55 120.28 1ifc n ASP 9 Ca 0.06 0.05 -0.11 0.00 0.52 0.00 0.00 54.79 55.31 1ifc n ASP 9 Cb 0.37 -0.26 -0.03 0.00 -0.72 0.00 0.00 41.12 40.48 1ifc n ASP 9 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ifc s ARG 10 N -2.21 1.22 0.21 -0.67 1.70 -1.12 -5.01 118.95 113.08 1ifc s ARG 10 Ca -0.15 -0.61 0.09 0.00 -0.47 0.00 0.00 55.73 54.59 1ifc s ARG 10 Cb 0.05 0.54 -0.05 0.00 -0.57 0.00 0.00 34.95 34.92 1ifc s ARG 10 CO 0.22 -0.51 -0.17 -0.80 -1.08 0.00 0.00 175.30 172.95 1ifc s ASN 11 N -2.79 2.86 -0.09 -2.89 0.01 -1.26 -0.11 114.94 110.68 1ifc s ASN 11 Ca 0.03 -0.98 -0.01 0.00 -0.71 0.00 0.00 52.86 51.19 1ifc s ASN 11 Cb -0.00 -0.18 0.03 0.00 0.41 0.00 0.00 41.25 41.50 1ifc s ASN 11 CO -0.11 -0.08 -0.04 -1.61 -1.51 0.00 0.00 177.10 173.76 1ifc s GLU 12 N -3.36 1.04 -2.01 -0.60 2.02 0.88 -4.83 118.70 111.85 1ifc s GLU 12 Ca 0.22 -0.06 0.00 0.00 0.02 0.00 0.00 54.97 55.15 1ifc s GLU 12 Cb -0.03 -1.27 0.00 0.00 0.10 0.00 0.00 34.13 32.93 1ifc s GLU 12 CO 0.09 -0.29 0.00 -1.71 0.02 0.00 0.00 175.26 173.37 1ifc n ASN 13 N 5.05 -5.42 -0.14 -0.19 5.15 -1.26 -0.80 115.26 117.64 1ifc n ASN 13 Ca -0.10 0.35 -0.11 0.00 -0.60 0.00 0.00 54.58 54.13 1ifc n ASN 13 Cb 0.50 -4.72 0.01 0.00 -0.53 0.00 0.00 39.78 35.04 1ifc n ASN 13 CO 0.00 0.00 0.00 0.22 1.40 0.00 0.00 177.26 178.88 1ifc h TYR 14 N 0.00 1.12 -0.48 1.20 3.20 -1.86 -2.07 116.97 118.07 1ifc h TYR 14 Ca -0.43 -0.28 -0.02 0.00 3.14 0.00 0.00 58.73 61.14 1ifc h TYR 14 Cb 1.32 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 39.32 1ifc h TYR 14 CO 0.57 1.10 0.21 0.93 -1.64 0.00 0.00 178.16 179.33 1ifc h GLU 15 N 0.83 0.71 -1.00 1.82 5.08 -1.91 0.35 114.58 120.46 1ifc h GLU 15 Ca 0.10 -0.12 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 1ifc h GLU 15 Cb 0.82 -0.12 -0.05 0.00 0.50 0.00 0.00 28.75 29.90 1ifc h GLU 15 CO 0.07 0.62 0.66 0.87 -1.00 0.00 0.00 179.01 180.23 1ifc h LYS 16 N 0.64 1.28 -0.17 2.33 1.79 -1.95 0.16 116.57 120.63 1ifc h LYS 16 Ca 0.16 -0.08 -0.00 0.00 -2.18 0.00 0.00 60.65 58.55 1ifc h LYS 16 Cb 0.16 -0.29 -0.01 0.00 -1.58 0.00 0.00 32.23 30.52 1ifc h LYS 16 CO -0.02 0.85 0.10 0.35 -1.08 0.00 0.00 179.45 179.65 1ifc h PHE 17 N 1.32 0.23 -0.36 -1.35 3.57 -0.95 -1.56 116.94 117.85 1ifc h PHE 17 Ca 0.38 -0.00 -0.05 0.00 3.53 0.00 0.00 57.97 61.83 1ifc h PHE 17 Cb -0.09 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 38.56 1ifc h PHE 17 CO -0.00 0.20 0.02 0.52 -2.23 0.00 0.00 178.31 176.82 1ifc h MET 18 N 0.19 0.54 -0.75 1.11 2.86 0.29 -1.87 114.93 117.32 1ifc h MET 18 Ca 0.06 -0.11 -0.01 0.00 -2.06 0.00 0.00 59.70 57.58 1ifc h MET 18 Cb 0.04 -0.08 -0.04 0.00 0.06 0.00 0.00 31.60 31.58 1ifc h MET 18 CO -0.01 0.55 0.44 1.49 1.06 0.00 0.00 176.91 180.44 1ifc h GLU 19 N 0.53 1.02 -0.41 1.72 4.81 -0.52 -1.72 114.58 120.02 1ifc h GLU 19 Ca 0.12 -0.10 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 1ifc h GLU 19 Cb 0.31 -0.21 -0.02 0.00 0.63 0.00 0.00 28.75 29.46 1ifc h GLU 19 CO 0.01 0.74 0.15 -0.22 -0.73 0.00 0.00 179.01 178.96 1ifc h LYS 20 N 1.03 0.58 0.00 1.92 1.63 -0.47 -2.11 116.57 119.15 1ifc h LYS 20 Ca 0.27 -0.08 0.00 0.00 -0.85 0.00 0.00 60.65 59.99 1ifc h LYS 20 Cb -0.01 -0.11 0.00 0.00 -0.60 0.00 0.00 32.23 31.51 1ifc h LYS 20 CO -0.05 0.49 0.00 0.52 -3.45 0.00 0.00 179.45 176.96 1ifc h MET 21 N 0.58 0.00 0.00 1.90 2.86 -0.99 -3.46 114.93 115.81 1ifc h MET 21 Ca 0.14 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.78 1ifc h MET 21 Cb 0.13 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ifc h MET 21 CO -0.01 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.37 1ifc n GLY 22 N 0.35 1.05 3.75 8.32 0.00 -0.79 -5.10 105.19 112.78 1ifc n GLY 22 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.66 1ifc n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ifc s ILE 23 N -2.00 4.82 0.79 -0.61 1.01 -0.70 -5.02 121.20 119.48 1ifc s ILE 23 Ca 0.00 1.46 -0.11 0.00 0.00 0.00 0.00 60.65 62.00 1ifc s ILE 23 Cb 0.00 -4.03 0.07 0.00 0.01 0.00 0.00 42.46 38.50 1ifc s ILE 23 CO 0.00 0.38 1.09 0.54 0.00 0.00 0.00 174.94 176.95 1ifc s ASN 24 N -0.08 4.43 0.19 3.58 2.20 -1.26 -4.40 114.94 119.60 1ifc s ASN 24 Ca 0.35 1.62 -0.16 0.00 -0.94 0.00 0.00 52.86 53.73 1ifc s ASN 24 Cb -0.19 -2.35 0.18 0.00 -2.00 0.00 0.00 41.25 36.88 1ifc s ASN 24 CO 0.20 -2.05 1.63 1.62 -2.94 0.00 0.00 177.10 175.56 1ifc h VAL 25 N -1.14 0.40 -0.14 3.54 3.04 -1.99 -0.20 116.25 119.76 1ifc h VAL 25 Ca -0.46 0.00 -0.00 0.00 -1.01 0.00 0.00 66.70 65.23 1ifc h VAL 25 Cb 1.25 0.40 -0.01 0.00 -2.01 0.00 0.00 31.29 30.92 1ifc h VAL 25 CO 0.54 0.00 0.07 0.58 -1.01 0.00 0.00 177.57 177.75 1ifc h VAL 26 N -0.04 1.11 0.00 1.51 2.07 -2.00 -2.38 116.25 116.53 1ifc h VAL 26 Ca 0.26 -0.32 -0.04 0.00 0.82 0.00 0.00 66.70 67.43 1ifc h VAL 26 Cb 0.43 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1ifc h VAL 26 CO -0.58 0.10 -0.17 0.11 0.02 0.00 0.00 177.57 177.05 1ifc h LYS 27 N 0.10 0.00 -0.48 1.57 1.79 -1.81 -1.60 116.57 116.14 1ifc h LYS 27 Ca 0.05 0.00 -0.13 0.00 -2.18 0.00 0.00 60.65 58.38 1ifc h LYS 27 Cb 0.10 0.00 -0.01 0.00 -1.58 0.00 0.00 32.23 30.74 1ifc h LYS 27 CO -0.01 0.17 -0.22 0.00 -1.08 0.00 0.00 179.45 178.31 1ifc h ARG 28 N 0.00 1.00 -0.26 3.15 3.08 -0.56 0.12 114.38 120.91 1ifc h ARG 28 Ca -0.00 -0.43 -0.01 0.00 0.07 0.00 0.00 59.98 59.61 1ifc h ARG 28 Cb 0.41 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1ifc h ARG 28 CO 0.02 1.11 0.12 0.87 -1.07 0.00 0.00 179.97 181.02 1ifc h LYS 29 N 0.85 0.38 -0.55 0.04 1.79 -0.89 -0.86 116.57 117.34 1ifc h LYS 29 Ca 0.11 -0.06 -0.04 0.00 -2.18 0.00 0.00 60.65 58.48 1ifc h LYS 29 Cb 0.80 -0.07 -0.02 0.00 -1.58 0.00 0.00 32.23 31.36 1ifc h LYS 29 CO 0.07 0.39 0.20 -0.07 -1.08 0.00 0.00 179.45 178.96 1ifc h LEU 30 N 0.28 0.77 -1.28 2.94 3.38 -1.21 -3.04 115.31 117.16 1ifc h LEU 30 Ca 0.09 -0.18 -0.03 0.00 0.09 0.00 0.00 57.88 57.85 1ifc h LEU 30 Cb 0.15 -0.20 -0.02 0.00 0.09 0.00 0.00 40.66 40.67 1ifc h LEU 30 CO -0.01 0.75 0.18 1.23 0.09 0.00 0.00 178.44 180.68 1ifc h GLY 31 N 0.75 0.72 2.00 0.83 0.00 -0.46 -2.04 103.07 104.87 1ifc h GLY 31 Ca 0.18 -0.36 0.00 0.00 0.00 0.00 0.00 47.33 47.15 1ifc h GLY 31 CO -0.01 0.34 0.00 0.00 0.00 0.00 0.00 176.54 176.87 1ifc n ALA 32 N -2.46 2.07 -2.66 3.60 0.00 -0.35 -3.24 120.51 117.47 1ifc n ALA 32 Ca 0.04 -0.05 -0.21 0.00 0.00 0.00 0.00 53.44 53.21 1ifc n ALA 32 Cb 0.16 -1.40 0.00 0.00 0.00 0.00 0.00 19.45 18.21 1ifc n ALA 32 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ifc n HIS 33 N -1.71 2.55 1.11 0.00 8.25 -0.78 -4.87 115.22 119.76 1ifc n HIS 33 Ca 0.05 -3.21 0.13 0.00 -0.26 0.00 0.00 57.72 54.43 1ifc n HIS 33 Cb 0.30 -0.26 0.41 0.00 1.12 0.00 0.00 29.99 31.56 1ifc n HIS 33 CO 0.00 0.00 0.00 -0.40 0.64 0.00 0.00 176.34 176.58 1ifc n ASP 34 N -0.25 0.46 -1.54 0.41 5.75 -1.13 -4.93 116.55 115.32 1ifc n ASP 34 Ca 0.28 -0.24 -0.18 0.00 -0.01 0.00 0.00 54.79 54.64 1ifc n ASP 34 Cb 0.67 0.02 -0.06 0.00 -1.03 0.00 0.00 41.12 40.71 1ifc n ASP 34 CO 0.00 0.00 0.00 -3.20 -0.11 0.00 0.00 177.20 173.89 1ifc n ASN 35 N -1.28 -5.20 -4.71 -1.12 5.15 -1.26 -1.15 115.26 105.69 1ifc n ASN 35 Ca 0.08 0.35 -0.43 0.00 -0.60 0.00 0.00 54.58 53.98 1ifc n ASN 35 Cb 0.33 -4.29 -0.03 0.00 -0.53 0.00 0.00 39.78 35.26 1ifc n ASN 35 CO 0.00 0.00 0.00 -0.11 1.40 0.00 0.00 177.26 178.55 1ifc n LEU 36 N -2.18 3.84 -4.15 1.20 7.94 -1.26 -4.61 117.00 117.79 1ifc n LEU 36 Ca -0.19 1.11 -0.26 0.00 -1.11 0.00 0.00 56.01 55.56 1ifc n LEU 36 Cb 0.61 -1.53 -0.16 0.00 0.53 0.00 0.00 43.42 42.87 1ifc n LEU 36 CO 0.27 -0.01 -0.50 -0.75 -1.11 0.00 0.00 177.39 175.28 1ifc s LYS 37 N 0.27 1.64 -0.09 1.96 2.20 0.35 -1.64 119.74 124.43 1ifc s LYS 37 Ca 0.71 -0.62 0.04 0.00 -0.36 0.00 0.00 55.97 55.74 1ifc s LYS 37 Cb -0.55 -1.48 0.00 0.00 -1.51 0.00 0.00 37.83 34.28 1ifc s LYS 37 CO 0.42 0.30 -0.23 -0.51 -0.36 0.00 0.00 175.35 174.96 1ifc s LEU 38 N -0.14 2.06 -0.27 5.43 1.43 0.46 -1.22 118.68 126.42 1ifc s LEU 38 Ca 0.00 -0.54 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 1ifc s LEU 38 Cb -0.10 -1.37 0.03 0.00 0.03 0.00 0.00 46.19 44.78 1ifc s LEU 38 CO 0.01 0.16 -0.02 -0.89 0.23 0.00 0.00 176.35 175.84 1ifc s THR 39 N 0.33 3.16 -0.17 5.49 2.01 -0.21 -0.24 115.64 126.01 1ifc s THR 39 Ca -0.18 -1.01 -0.04 0.00 0.31 0.00 0.00 61.69 60.78 1ifc s THR 39 Cb -0.18 -2.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.67 1ifc s THR 39 CO 0.08 0.12 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.46 1ifc s ILE 40 N 1.35 3.73 0.04 1.82 1.01 -0.04 -0.82 121.20 128.29 1ifc s ILE 40 Ca -0.00 -0.41 0.03 0.00 0.00 0.00 0.00 60.65 60.27 1ifc s ILE 40 Cb -0.17 -2.65 -0.02 0.00 0.01 0.00 0.00 42.46 39.63 1ifc s ILE 40 CO -0.02 0.47 -0.09 0.42 0.00 0.00 0.00 174.94 175.72 1ifc s THR 41 N 0.63 0.68 0.09 2.92 -4.23 -0.39 -2.21 115.64 113.13 1ifc s THR 41 Ca -0.03 -0.91 0.09 0.00 -1.18 0.00 0.00 61.69 59.66 1ifc s THR 41 Cb -0.14 -0.68 -0.03 0.00 1.34 0.00 0.00 72.50 72.98 1ifc s THR 41 CO 0.02 -0.19 -0.24 -1.58 -0.54 0.00 0.00 174.62 172.09 1ifc s GLN 42 N -1.22 1.38 -0.35 3.99 0.74 -1.26 -1.14 119.66 121.80 1ifc s GLN 42 Ca -0.05 -1.18 0.00 0.00 0.05 0.00 0.00 55.36 54.19 1ifc s GLN 42 Cb -0.08 -1.68 0.14 0.00 1.10 0.00 0.00 33.01 32.49 1ifc s GLN 42 CO 0.01 0.41 0.25 -2.00 -0.55 0.00 0.00 175.29 173.40 1ifc s GLU 43 N -1.72 0.53 7.48 1.67 2.12 0.61 -5.00 118.70 124.39 1ifc s GLU 43 Ca 0.10 -1.13 0.00 0.00 0.36 0.00 0.00 54.97 54.30 1ifc s GLU 43 Cb -0.10 -1.13 0.00 0.00 0.26 0.00 0.00 34.13 33.16 1ifc s GLU 43 CO 0.04 -1.19 0.00 0.41 -0.54 0.00 0.00 175.26 173.98 1ifc n GLY 44 N 4.21 3.22 0.59 -1.50 0.00 -1.26 -1.38 105.19 109.06 1ifc n GLY 44 Ca 0.10 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.31 1ifc n GLY 44 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1ifc n ASN 45 N 9.66 1.79 -4.27 1.61 4.05 -1.26 -4.85 115.26 121.99 1ifc n ASN 45 Ca 0.00 -1.66 -0.33 0.00 0.45 0.00 0.00 54.58 53.04 1ifc n ASN 45 Cb 0.00 -0.07 -0.16 0.00 1.23 0.00 0.00 39.78 40.79 1ifc n ASN 45 CO 0.00 0.00 0.00 -0.75 -3.05 0.00 0.00 177.26 173.46 1ifc s LYS 46 N -1.87 3.19 -0.10 1.20 2.20 -0.48 -1.37 119.74 122.52 1ifc s LYS 46 Ca 0.35 -0.77 -0.02 0.00 -0.36 0.00 0.00 55.97 55.16 1ifc s LYS 46 Cb 0.19 -2.54 -0.03 0.00 -1.51 0.00 0.00 37.83 33.94 1ifc s LYS 46 CO 0.30 0.09 -0.00 -0.06 -0.36 0.00 0.00 175.35 175.31 1ifc s PHE 47 N 0.62 3.13 -0.20 4.03 0.40 0.23 -0.28 117.98 125.91 1ifc s PHE 47 Ca -0.09 0.12 -0.02 0.00 -0.60 0.00 0.00 56.93 56.34 1ifc s PHE 47 Cb -0.16 -1.82 0.00 0.00 0.51 0.00 0.00 43.02 41.55 1ifc s PHE 47 CO 0.03 0.38 -0.10 0.99 0.70 0.00 0.00 175.22 177.22 1ifc s THR 48 N -0.67 2.90 -0.26 0.64 2.01 -0.29 -1.32 115.64 118.64 1ifc s THR 48 Ca 0.11 -0.66 0.00 0.00 0.31 0.00 0.00 61.69 61.45 1ifc s THR 48 Cb -0.12 -2.28 0.05 0.00 0.01 0.00 0.00 72.50 70.16 1ifc s THR 48 CO 0.02 0.47 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.66 1ifc s VAL 49 N 1.30 2.56 -0.28 3.82 1.01 0.13 -1.26 120.40 127.68 1ifc s VAL 49 Ca 0.04 -1.36 -0.19 0.00 0.00 0.00 0.00 61.98 60.47 1ifc s VAL 49 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.81 1ifc s VAL 49 CO -0.06 0.05 0.59 -0.54 0.00 0.00 0.00 175.10 175.15 1ifc s LYS 50 N 1.21 3.97 -0.22 2.72 1.02 0.00 0.13 119.74 128.58 1ifc s LYS 50 Ca -0.04 0.33 -0.10 0.00 0.02 0.00 0.00 55.97 56.17 1ifc s LYS 50 Cb -0.18 -3.70 -0.05 0.00 -0.52 0.00 0.00 37.83 33.38 1ifc s LYS 50 CO -0.04 -0.48 0.14 -1.21 -0.92 0.00 0.00 175.35 172.83 1ifc s GLU 51 N 2.49 4.09 -0.08 1.68 2.02 0.49 -1.04 118.70 128.35 1ifc s GLU 51 Ca 0.24 -0.26 0.01 0.00 0.02 0.00 0.00 54.97 54.97 1ifc s GLU 51 Cb -0.15 -3.46 0.02 0.00 0.10 0.00 0.00 34.13 30.64 1ifc s GLU 51 CO 0.10 0.16 -0.08 0.45 0.02 0.00 0.00 175.26 175.91 1ifc s SER 52 N 0.76 1.79 0.37 -0.19 0.15 -0.36 -1.48 113.70 114.75 1ifc s SER 52 Ca 0.07 -0.25 -0.06 0.00 0.70 0.00 0.00 55.95 56.41 1ifc s SER 52 Cb -0.13 -0.74 0.02 0.00 -1.71 0.00 0.00 66.02 63.47 1ifc s SER 52 CO 0.02 -0.06 0.59 -0.94 1.20 0.00 0.00 173.24 174.04 1ifc s SER 53 N 1.25 0.74 0.59 5.45 1.04 -0.21 -0.49 113.70 122.07 1ifc s SER 53 Ca -0.04 -1.44 0.36 0.00 0.48 0.00 0.00 55.95 55.30 1ifc s SER 53 Cb -0.14 0.74 1.85 0.00 0.10 0.00 0.00 66.02 68.57 1ifc s SER 53 CO -0.03 -1.46 2.19 0.78 0.98 0.00 0.00 173.24 175.71 1ifc h ASN 54 N 2.05 0.00 0.14 7.02 2.35 -1.42 -3.08 115.58 122.64 1ifc h ASN 54 Ca -0.30 0.00 -0.25 0.00 -0.55 0.00 0.00 56.30 55.20 1ifc h ASN 54 Cb 1.24 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.62 1ifc h ASN 54 CO 0.40 0.04 -1.23 -0.26 -1.65 0.00 0.00 177.43 174.73 1ifc h PHE 55 N 0.00 0.52 -2.60 1.19 0.04 -1.95 -3.50 116.94 110.64 1ifc h PHE 55 Ca -0.00 -0.38 0.14 0.00 2.80 0.00 0.00 57.97 60.52 1ifc h PHE 55 Cb 0.21 -0.02 -0.07 0.00 2.20 0.00 0.00 35.95 38.27 1ifc h PHE 55 CO 0.00 1.48 0.38 -0.98 -0.60 0.00 0.00 178.31 178.59 1ifc s ARG 56 N -2.47 1.43 -0.19 1.51 1.70 -1.16 -5.13 118.95 114.64 1ifc s ARG 56 Ca -0.17 -0.79 -0.03 0.00 -0.47 0.00 0.00 55.73 54.27 1ifc s ARG 56 Cb 0.03 0.49 0.06 0.00 -0.57 0.00 0.00 34.95 34.96 1ifc s ARG 56 CO 0.80 -0.66 0.03 -0.80 -1.08 0.00 0.00 175.30 173.59 1ifc s ASN 57 N -2.94 2.88 0.04 -2.89 -0.87 -1.26 -1.05 114.94 108.86 1ifc s ASN 57 Ca 0.12 -0.80 -0.03 0.00 -1.57 0.00 0.00 52.86 50.58 1ifc s ASN 57 Cb -0.03 -0.62 -0.02 0.00 -0.02 0.00 0.00 41.25 40.56 1ifc s ASN 57 CO 0.04 -0.30 0.04 0.27 -2.57 0.00 0.00 177.10 174.59 1ifc s ILE 58 N 1.84 0.15 -0.15 0.60 -4.36 -0.55 -5.01 121.20 113.72 1ifc s ILE 58 Ca -0.01 -1.24 -0.07 0.00 -0.26 0.00 0.00 60.65 59.07 1ifc s ILE 58 Cb -0.17 -0.95 -0.04 0.00 1.25 0.00 0.00 42.46 42.55 1ifc s ILE 58 CO -0.08 -0.69 0.08 -1.81 0.24 0.00 0.00 174.94 172.69 1ifc s ASP 59 N -2.23 5.85 -0.20 4.36 1.11 -1.26 -0.38 116.67 123.92 1ifc s ASP 59 Ca -0.04 0.21 -0.02 0.00 0.18 0.00 0.00 52.55 52.88 1ifc s ASP 59 Cb -0.00 -1.93 -0.00 0.00 1.07 0.00 0.00 42.92 42.05 1ifc s ASP 59 CO -0.05 0.27 -0.09 -0.69 1.18 0.00 0.00 175.17 175.78 1ifc s VAL 60 N -0.18 3.01 -0.09 -1.27 1.01 0.12 -4.96 120.40 118.04 1ifc s VAL 60 Ca 0.08 -0.62 0.04 0.00 0.00 0.00 0.00 61.98 61.48 1ifc s VAL 60 Cb -0.12 -2.34 0.00 0.00 0.00 0.00 0.00 36.38 33.92 1ifc s VAL 60 CO 0.01 0.46 -0.21 -0.69 0.00 0.00 0.00 175.10 174.67 1ifc s VAL 61 N 1.32 1.87 0.04 2.92 1.01 -1.26 0.20 120.40 126.50 1ifc s VAL 61 Ca 0.04 -0.91 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 1ifc s VAL 61 Cb -0.14 -1.63 0.02 0.00 0.00 0.00 0.00 36.38 34.63 1ifc s VAL 61 CO -0.05 0.52 0.29 0.72 0.00 0.00 0.00 175.10 176.58 1ifc s PHE 62 N 0.42 -0.08 -0.15 5.22 -0.12 -0.44 -5.01 117.98 117.82 1ifc s PHE 62 Ca -0.18 -0.06 -0.06 0.00 -0.05 0.00 0.00 56.93 56.58 1ifc s PHE 62 Cb -0.17 0.08 -0.04 0.00 -0.63 0.00 0.00 43.02 42.25 1ifc s PHE 62 CO 0.08 -0.49 0.06 -2.00 -0.05 0.00 0.00 175.22 172.82 1ifc s GLU 63 N -2.51 3.71 0.21 1.99 2.12 -1.26 -0.60 118.70 122.35 1ifc s GLU 63 Ca -0.05 -0.32 -0.32 0.00 0.36 0.00 0.00 54.97 54.64 1ifc s GLU 63 Cb -0.01 -3.13 -0.14 0.00 0.26 0.00 0.00 34.13 31.11 1ifc s GLU 63 CO -0.03 0.44 1.46 1.28 -0.54 0.00 0.00 175.26 177.87 1ifc n LEU 64 N 3.01 3.04 0.00 2.70 4.77 -0.47 -1.67 117.00 128.38 1ifc n LEU 64 Ca -0.17 1.12 0.00 0.00 -0.03 0.00 0.00 56.01 56.93 1ifc n LEU 64 Cb 0.53 -1.42 0.00 0.00 -2.33 0.00 0.00 43.42 40.20 1ifc n LEU 64 CO 0.33 -0.45 0.00 0.61 -1.33 0.00 0.00 177.39 176.55 1ifc n GLY 65 N 2.56 1.08 3.38 -0.72 0.00 0.18 -5.00 105.19 106.68 1ifc n GLY 65 Ca 0.13 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 1ifc n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ifc s VAL 66 N -3.95 3.58 0.50 1.61 1.01 -0.67 -5.01 120.40 117.47 1ifc s VAL 66 Ca 0.00 -0.44 -0.22 0.00 0.00 0.00 0.00 61.98 61.32 1ifc s VAL 66 Cb 0.00 -2.61 -0.06 0.00 0.00 0.00 0.00 36.38 33.71 1ifc s VAL 66 CO 0.00 0.44 1.26 1.51 0.00 0.00 0.00 175.10 178.32 1ifc s ASP 67 N 1.07 5.70 0.25 3.32 -4.77 -1.26 -4.61 116.67 116.38 1ifc s ASP 67 Ca 0.01 2.54 -0.12 0.00 -3.30 0.00 0.00 52.55 51.69 1ifc s ASP 67 Cb -0.15 -2.62 -0.00 0.00 -1.09 0.00 0.00 42.92 39.06 1ifc s ASP 67 CO 0.00 -1.26 0.47 0.72 0.70 0.00 0.00 175.17 175.80 1ifc s PHE 68 N -1.42 0.43 -0.14 2.11 -0.71 0.12 -4.95 117.98 113.42 1ifc s PHE 68 Ca 0.68 -0.79 -0.04 0.00 -1.04 0.00 0.00 56.93 55.74 1ifc s PHE 68 Cb -0.35 0.15 -0.03 0.00 -1.21 0.00 0.00 43.02 41.59 1ifc s PHE 68 CO 0.41 -1.00 -0.01 0.00 -1.34 0.00 0.00 175.22 173.28 1ifc s ALA 69 N -3.94 3.12 0.03 1.99 0.00 -1.26 -0.89 121.76 120.81 1ifc s ALA 69 Ca 0.24 -0.81 0.01 0.00 0.00 0.00 0.00 51.96 51.40 1ifc s ALA 69 Cb -0.00 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.51 1ifc s ALA 69 CO 0.10 0.29 -0.06 -0.47 0.00 0.00 0.00 175.76 175.63 1ifc s TYR 70 N 0.08 0.49 -0.06 0.00 5.04 -0.61 -5.01 117.35 117.28 1ifc s TYR 70 Ca 0.01 -0.44 0.06 0.00 -2.44 0.00 0.00 57.07 54.25 1ifc s TYR 70 Cb -0.13 -0.30 -0.01 0.00 0.35 0.00 0.00 41.96 41.86 1ifc s TYR 70 CO 0.02 -0.11 -0.24 -1.12 -1.34 0.00 0.00 175.55 172.76 1ifc s SER 71 N -1.32 3.12 0.79 4.32 0.01 -1.26 -0.21 113.70 119.14 1ifc s SER 71 Ca -0.10 -0.50 -0.11 0.00 1.31 0.00 0.00 55.95 56.55 1ifc s SER 71 Cb -0.09 -0.89 0.07 0.00 0.21 0.00 0.00 66.02 65.32 1ifc s SER 71 CO -0.00 0.24 1.10 -0.76 0.41 0.00 0.00 173.24 174.23 1ifc s LEU 72 N -0.14 3.02 0.33 2.44 1.43 -0.38 -4.89 118.68 120.49 1ifc s LEU 72 Ca -0.04 1.87 0.08 0.00 -1.03 0.00 0.00 54.13 55.00 1ifc s LEU 72 Cb -0.14 -4.53 0.79 0.00 0.03 0.00 0.00 46.19 42.34 1ifc s LEU 72 CO 0.04 -2.15 1.80 0.00 0.23 0.00 0.00 176.35 176.27 1ifc h ALA 73 N -1.19 1.77 0.00 4.21 0.00 -2.00 0.39 119.26 122.45 1ifc h ALA 73 Ca -0.44 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.53 1ifc h ALA 73 Cb 1.24 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.93 1ifc h ALA 73 CO 0.50 -0.11 -0.01 0.38 0.00 0.00 0.00 179.25 180.01 1ifc h ASP 74 N 0.72 0.00 0.00 0.00 2.03 -2.01 -3.46 116.42 113.69 1ifc h ASP 74 Ca 0.54 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.84 1ifc h ASP 74 Cb 0.90 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.40 1ifc h ASP 74 CO -0.32 0.01 0.00 0.61 -1.03 0.00 0.00 179.24 178.52 1ifc n GLY 75 N -0.64 1.11 3.70 7.15 0.00 0.13 -5.09 105.19 111.55 1ifc n GLY 75 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1ifc n GLY 75 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ifc s THR 76 N -2.03 2.81 -0.01 2.61 2.01 -1.26 -4.75 115.64 115.02 1ifc s THR 76 Ca 0.00 0.39 -0.20 0.00 0.31 0.00 0.00 61.69 62.19 1ifc s THR 76 Cb 0.00 -3.25 -0.05 0.00 0.01 0.00 0.00 72.50 69.21 1ifc s THR 76 CO 0.00 0.01 0.58 -1.61 -0.69 0.00 0.00 174.62 172.91 1ifc s GLU 77 N 2.20 4.30 0.20 4.92 2.02 -1.26 -1.24 118.70 129.84 1ifc s GLU 77 Ca 0.74 0.70 0.08 0.00 0.02 0.00 0.00 54.97 56.51 1ifc s GLU 77 Cb -0.42 -3.34 -0.05 0.00 0.10 0.00 0.00 34.13 30.42 1ifc s GLU 77 CO 0.33 0.36 -0.16 -0.51 0.02 0.00 0.00 175.26 175.30 1ifc s LEU 78 N -0.16 2.52 0.05 1.80 1.43 0.70 -1.15 118.68 123.88 1ifc s LEU 78 Ca 0.30 -0.97 0.05 0.00 -1.03 0.00 0.00 54.13 52.49 1ifc s LEU 78 Cb -0.18 -0.77 -0.02 0.00 0.03 0.00 0.00 46.19 45.25 1ifc s LEU 78 CO 0.16 -0.10 -0.15 0.42 0.23 0.00 0.00 176.35 176.91 1ifc s THR 79 N -2.62 1.18 0.00 5.49 -4.23 -0.63 -1.58 115.64 113.26 1ifc s THR 79 Ca 0.21 -1.09 0.00 0.00 -1.18 0.00 0.00 61.69 59.63 1ifc s THR 79 Cb -0.03 -1.08 0.00 0.00 1.34 0.00 0.00 72.50 72.73 1ifc s THR 79 CO 0.08 -0.02 0.00 0.61 -0.54 0.00 0.00 174.62 174.75 1ifc n GLY 80 N 1.76 0.69 3.35 3.99 0.00 -0.07 -0.93 105.19 114.00 1ifc n GLY 80 Ca -0.18 -0.65 -0.11 0.00 0.00 0.00 0.00 46.02 45.07 1ifc n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ifc s THR 81 N -2.03 -0.01 -0.10 2.61 2.01 -0.62 -0.70 115.64 116.80 1ifc s THR 81 Ca 0.00 0.04 -0.08 0.00 0.31 0.00 0.00 61.69 61.96 1ifc s THR 81 Cb 0.00 -0.67 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1ifc s THR 81 CO 0.00 0.02 0.19 0.26 -0.69 0.00 0.00 174.62 174.40 1ifc s TRP 82 N 0.89 3.62 0.16 4.92 0.52 -1.26 -1.54 118.94 126.25 1ifc s TRP 82 Ca -0.05 0.62 0.02 0.00 0.02 0.00 0.00 56.10 56.71 1ifc s TRP 82 Cb -0.06 -2.01 -0.05 0.00 -1.15 0.00 0.00 33.47 30.21 1ifc s TRP 82 CO -0.07 0.72 -0.02 0.95 0.02 0.00 0.00 176.95 178.55 1ifc s THR 83 N -1.04 0.77 -0.24 2.01 -4.23 -0.25 -0.64 115.64 112.02 1ifc s THR 83 Ca 0.17 -1.99 -0.07 0.00 -1.18 0.00 0.00 61.69 58.62 1ifc s THR 83 Cb -0.13 -2.04 -0.03 0.00 1.34 0.00 0.00 72.50 71.65 1ifc s THR 83 CO 0.06 -0.56 0.05 -0.32 -0.54 0.00 0.00 174.62 173.31 1ifc s MET 84 N -3.88 3.65 -0.29 3.99 1.75 -1.26 -1.00 119.30 122.25 1ifc s MET 84 Ca 0.22 -0.49 -0.00 0.00 -1.25 0.00 0.00 55.69 54.16 1ifc s MET 84 Cb 0.05 -3.26 0.09 0.00 2.84 0.00 0.00 34.83 34.56 1ifc s MET 84 CO 0.03 -0.13 0.07 -1.21 -0.65 0.00 0.00 175.02 173.12 1ifc s GLU 85 N 1.44 0.87 -0.98 4.11 2.02 -0.31 -4.81 118.70 121.05 1ifc s GLU 85 Ca 0.05 -1.05 -0.03 0.00 0.02 0.00 0.00 54.97 53.97 1ifc s GLU 85 Cb -0.15 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.91 1ifc s GLU 85 CO 0.03 -0.90 0.83 0.41 0.02 0.00 0.00 175.26 175.65 1ifc n GLY 86 N 4.80 -0.19 3.15 -1.39 0.00 -1.26 -3.12 105.19 107.18 1ifc n GLY 86 Ca -0.03 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 1ifc n GLY 86 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ifc n ASN 87 N -2.39 -2.17 -4.67 1.61 3.02 -1.26 -4.97 115.26 104.43 1ifc n ASN 87 Ca -0.13 0.00 -0.26 0.00 -0.03 0.00 0.00 54.58 54.16 1ifc n ASN 87 Cb 0.60 -1.86 -0.08 0.00 -0.61 0.00 0.00 39.78 37.83 1ifc n ASN 87 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1ifc s LYS 88 N -0.87 2.41 -0.25 3.52 1.02 -1.18 -4.81 119.74 119.58 1ifc s LYS 88 Ca 0.00 -1.15 -0.09 0.00 0.02 0.00 0.00 55.97 54.75 1ifc s LYS 88 Cb 0.00 -2.34 -0.04 0.00 -0.52 0.00 0.00 37.83 34.93 1ifc s LYS 88 CO 0.00 0.44 0.13 -0.51 -0.92 0.00 0.00 175.35 174.49 1ifc s LEU 89 N -3.08 3.85 -0.20 3.17 1.43 -0.40 -1.16 118.68 122.29 1ifc s LEU 89 Ca 0.28 -0.02 -0.02 0.00 -1.03 0.00 0.00 54.13 53.33 1ifc s LEU 89 Cb -0.09 -2.04 -0.00 0.00 0.03 0.00 0.00 46.19 44.09 1ifc s LEU 89 CO 0.19 0.01 -0.09 -0.69 0.23 0.00 0.00 176.35 176.00 1ifc s VAL 90 N 1.36 2.99 -0.21 -1.59 1.01 -0.17 -0.40 120.40 123.39 1ifc s VAL 90 Ca 0.06 -0.63 -0.05 0.00 0.00 0.00 0.00 61.98 61.37 1ifc s VAL 90 Cb -0.15 -2.33 -0.02 0.00 0.00 0.00 0.00 36.38 33.88 1ifc s VAL 90 CO 0.06 0.46 -0.01 -0.83 0.00 0.00 0.00 175.10 174.78 1ifc s GLY 91 N 1.37 1.70 -0.31 4.51 0.00 0.18 -1.09 107.32 113.68 1ifc s GLY 91 Ca 0.05 -1.03 -0.07 0.00 0.00 0.00 0.00 44.72 43.67 1ifc s GLY 91 CO -0.06 0.28 0.09 0.54 0.00 0.00 0.00 173.10 173.96 1ifc s LYS 92 N 1.12 2.88 0.19 2.90 1.02 -0.59 -1.09 119.74 126.17 1ifc s LYS 92 Ca 0.02 -1.00 0.08 0.00 0.02 0.00 0.00 55.97 55.09 1ifc s LYS 92 Cb -0.14 -3.40 -0.04 0.00 -0.52 0.00 0.00 37.83 33.72 1ifc s LYS 92 CO 0.01 -0.54 -0.15 -0.06 -0.92 0.00 0.00 175.35 173.69 1ifc s PHE 93 N 1.46 1.70 -0.00 3.18 0.08 -0.25 -1.59 117.98 122.55 1ifc s PHE 93 Ca 0.01 -0.55 0.04 0.00 0.12 0.00 0.00 56.93 56.54 1ifc s PHE 93 Cb -0.18 -0.81 -0.01 0.00 -0.57 0.00 0.00 43.02 41.45 1ifc s PHE 93 CO 0.02 0.33 -0.11 0.15 -0.10 0.00 0.00 175.22 175.52 1ifc s LYS 94 N -3.39 0.89 0.17 0.44 1.02 -0.10 -0.62 119.74 118.15 1ifc s LYS 94 Ca 0.20 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.45 1ifc s LYS 94 Cb -0.02 -0.86 -0.08 0.00 -0.52 0.00 0.00 37.83 36.35 1ifc s LYS 94 CO 0.06 0.23 1.21 1.03 -0.92 0.00 0.00 175.35 176.97 1ifc s ARG 95 N -0.37 4.47 0.21 1.68 0.52 -0.34 -1.60 118.95 123.53 1ifc s ARG 95 Ca 0.04 1.88 -0.05 0.00 -0.52 0.00 0.00 55.73 57.09 1ifc s ARG 95 Cb -0.05 -3.25 0.18 0.00 0.52 0.00 0.00 34.95 32.36 1ifc s ARG 95 CO -0.00 -0.12 1.62 0.28 0.02 0.00 0.00 175.30 177.10 1ifc h VAL 96 N 3.83 1.27 0.52 3.52 2.07 -1.47 -1.61 116.25 124.37 1ifc h VAL 96 Ca -0.44 -1.34 -0.03 0.00 0.82 0.00 0.00 66.70 65.71 1ifc h VAL 96 Cb 1.21 1.21 0.01 0.00 -1.52 0.00 0.00 31.29 32.20 1ifc h VAL 96 CO 0.76 0.45 -0.25 -2.24 0.02 0.00 0.00 177.57 176.30 1ifc h ASP 97 N 0.68 -0.59 -0.02 0.57 3.04 -1.91 -3.37 116.42 114.82 1ifc h ASP 97 Ca 0.09 -0.06 0.00 0.00 -3.24 0.00 0.00 57.03 53.82 1ifc h ASP 97 Cb 0.74 0.15 0.00 0.00 -1.04 0.00 0.00 39.33 39.18 1ifc h ASP 97 CO 0.06 -0.26 -0.08 -0.46 -2.04 0.00 0.00 179.24 176.47 1ifc n ASN 98 N -5.30 2.44 0.00 4.15 2.04 -1.25 -4.99 115.26 112.35 1ifc n ASN 98 Ca -0.11 -1.72 0.00 0.00 -0.44 0.00 0.00 54.58 52.31 1ifc n ASN 98 Cb 0.32 0.09 0.00 0.00 -2.53 0.00 0.00 39.78 37.66 1ifc n ASN 98 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 1ifc n GLY 99 N 1.12 0.23 3.79 4.83 0.00 -0.61 -4.99 105.19 109.56 1ifc n GLY 99 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 1ifc n GLY 99 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ifc s LYS 100 N -1.11 4.47 0.33 1.61 1.02 -1.26 -4.64 119.74 120.15 1ifc s LYS 100 Ca 0.00 1.27 -0.27 0.00 0.02 0.00 0.00 55.97 57.00 1ifc s LYS 100 Cb 0.00 -2.61 -0.09 0.00 -0.52 0.00 0.00 37.83 34.61 1ifc s LYS 100 CO 0.00 0.17 1.02 -1.83 -0.92 0.00 0.00 175.35 173.80 1ifc s GLU 101 N -2.40 4.48 -0.09 1.68 -1.05 -1.26 -1.20 118.70 118.85 1ifc s GLU 101 Ca 0.54 1.54 -0.00 0.00 -0.15 0.00 0.00 54.97 56.90 1ifc s GLU 101 Cb -0.16 -2.87 0.02 0.00 -0.44 0.00 0.00 34.13 30.69 1ifc s GLU 101 CO 0.21 0.13 -0.06 -1.17 0.95 0.00 0.00 175.26 175.33 1ifc s LEU 102 N -2.00 1.06 -0.11 1.83 0.20 0.21 -4.40 118.68 115.47 1ifc s LEU 102 Ca 0.50 -0.23 -0.02 0.00 0.69 0.00 0.00 54.13 55.07 1ifc s LEU 102 Cb -0.24 -0.70 -0.03 0.00 -0.43 0.00 0.00 46.19 44.78 1ifc s LEU 102 CO 0.31 -0.13 -0.02 -0.63 -0.29 0.00 0.00 176.35 175.59 1ifc s ILE 103 N 1.66 4.12 -0.03 6.68 -1.09 -0.84 -1.10 121.20 130.59 1ifc s ILE 103 Ca 0.03 -0.31 0.04 0.00 -2.23 0.00 0.00 60.65 58.18 1ifc s ILE 103 Cb -0.13 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.00 1ifc s ILE 103 CO -0.06 0.56 -0.17 0.00 -1.23 0.00 0.00 174.94 174.05 1ifc s ALA 104 N -0.43 1.46 -0.03 9.38 0.00 -0.25 -0.68 121.76 131.22 1ifc s ALA 104 Ca 0.07 -0.68 0.04 0.00 0.00 0.00 0.00 51.96 51.40 1ifc s ALA 104 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 23.12 22.53 1ifc s ALA 104 CO 0.02 0.29 -0.16 0.08 0.00 0.00 0.00 175.76 175.99 1ifc s VAL 105 N -0.06 1.29 -0.13 0.00 1.01 -0.27 0.50 120.40 122.73 1ifc s VAL 105 Ca -0.01 -0.66 0.02 0.00 0.00 0.00 0.00 61.98 61.33 1ifc s VAL 105 Cb -0.10 -1.09 0.00 0.00 0.00 0.00 0.00 36.38 35.19 1ifc s VAL 105 CO 0.01 0.37 -0.20 -0.13 0.00 0.00 0.00 175.10 175.15 1ifc s ARG 106 N -0.11 3.11 0.04 2.72 0.52 0.47 -0.92 118.95 124.77 1ifc s ARG 106 Ca 0.00 -0.82 -0.01 0.00 -0.52 0.00 0.00 55.73 54.38 1ifc s ARG 106 Cb -0.09 -2.47 -0.03 0.00 0.52 0.00 0.00 34.95 32.88 1ifc s ARG 106 CO 0.01 0.06 -0.02 -2.00 0.02 0.00 0.00 175.30 173.37 1ifc s GLU 107 N 0.67 0.49 -0.17 3.54 2.12 -0.36 -1.27 118.70 123.73 1ifc s GLU 107 Ca -0.10 -0.94 -0.08 0.00 0.36 0.00 0.00 54.97 54.22 1ifc s GLU 107 Cb -0.16 0.17 -0.04 0.00 0.26 0.00 0.00 34.13 34.36 1ifc s GLU 107 CO 0.02 -0.09 0.09 0.42 -0.54 0.00 0.00 175.26 175.16 1ifc s ILE 108 N -2.84 5.05 -0.27 -3.70 -1.09 -1.26 -0.13 121.20 116.96 1ifc s ILE 108 Ca -0.03 0.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.44 1ifc s ILE 108 Cb 0.00 -3.26 0.08 0.00 -1.58 0.00 0.00 42.46 37.71 1ifc s ILE 108 CO -0.06 0.50 0.04 -0.55 -1.23 0.00 0.00 174.94 173.64 1ifc s SER 109 N -0.01 3.77 1.83 3.58 0.15 -0.03 -4.95 113.70 118.05 1ifc s SER 109 Ca 0.07 -1.37 0.00 0.00 0.70 0.00 0.00 55.95 55.35 1ifc s SER 109 Cb -0.12 -0.93 0.00 0.00 -1.71 0.00 0.00 66.02 63.27 1ifc s SER 109 CO 0.00 -0.34 0.00 0.61 1.20 0.00 0.00 173.24 174.71 1ifc n GLY 110 N 4.81 2.53 0.71 9.45 0.00 -1.26 -0.95 105.19 120.48 1ifc n GLY 110 Ca -0.06 0.19 0.07 0.00 0.00 0.00 0.00 46.02 46.23 1ifc n GLY 110 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ifc n ASN 111 N 10.51 3.30 -4.47 1.61 2.04 -1.26 -5.00 115.26 121.98 1ifc n ASN 111 Ca 0.00 -3.14 -0.27 0.00 -0.44 0.00 0.00 54.58 50.73 1ifc n ASN 111 Cb 0.00 -0.53 -0.11 0.00 -2.53 0.00 0.00 39.78 36.61 1ifc n ASN 111 CO 0.00 0.00 0.00 -1.61 -0.44 0.00 0.00 177.26 175.21 1ifc s GLU 112 N -2.90 1.70 -0.21 -3.83 2.02 -0.13 -3.76 118.70 111.59 1ifc s GLU 112 Ca 0.40 -1.41 -0.09 0.00 0.02 0.00 0.00 54.97 53.89 1ifc s GLU 112 Cb 0.33 -1.97 -0.05 0.00 0.10 0.00 0.00 34.13 32.55 1ifc s GLU 112 CO 0.06 0.42 0.12 -1.17 0.02 0.00 0.00 175.26 174.71 1ifc s LEU 113 N -2.63 4.09 -0.22 1.80 0.20 0.51 -0.85 118.68 121.57 1ifc s LEU 113 Ca 0.21 0.16 -0.09 0.00 0.69 0.00 0.00 54.13 55.11 1ifc s LEU 113 Cb -0.09 -2.06 -0.04 0.00 -0.43 0.00 0.00 46.19 43.57 1ifc s LEU 113 CO 0.11 0.15 0.11 -0.63 -0.29 0.00 0.00 176.35 175.80 1ifc s ILE 114 N 0.55 4.92 -0.25 6.68 -1.09 0.82 -0.55 121.20 132.28 1ifc s ILE 114 Ca 0.07 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.53 1ifc s ILE 114 Cb -0.12 -3.27 0.05 0.00 -1.58 0.00 0.00 42.46 37.54 1ifc s ILE 114 CO 0.00 0.38 -0.11 -1.58 -1.23 0.00 0.00 174.94 172.40 1ifc s GLN 115 N 0.97 2.45 -0.05 2.79 0.74 0.19 -1.22 119.66 125.54 1ifc s GLN 115 Ca 0.05 -1.21 -0.01 0.00 0.05 0.00 0.00 55.36 54.24 1ifc s GLN 115 Cb -0.14 -2.87 -0.04 0.00 1.10 0.00 0.00 33.01 31.07 1ifc s GLN 115 CO 0.03 -0.49 0.02 0.99 -0.55 0.00 0.00 175.29 175.29 1ifc s THR 116 N 1.17 4.39 0.03 -0.34 2.01 -0.10 -0.66 115.64 122.14 1ifc s THR 116 Ca -0.05 -0.37 0.08 0.00 0.31 0.00 0.00 61.69 61.66 1ifc s THR 116 Cb -0.18 -2.91 -0.02 0.00 0.01 0.00 0.00 72.50 69.39 1ifc s THR 116 CO -0.06 0.49 -0.22 -0.31 -0.69 0.00 0.00 174.62 173.83 1ifc s TYR 117 N -1.01 1.94 -0.03 4.92 2.02 -0.45 -1.11 117.35 123.63 1ifc s TYR 117 Ca 0.17 -0.38 0.06 0.00 -0.37 0.00 0.00 57.07 56.55 1ifc s TYR 117 Cb -0.12 -1.17 -0.01 0.00 -0.40 0.00 0.00 41.96 40.26 1ifc s TYR 117 CO 0.07 0.08 -0.20 0.95 -1.57 0.00 0.00 175.55 174.87 1ifc s THR 118 N -0.75 1.63 -0.27 -0.71 -4.23 0.15 -1.29 115.64 110.17 1ifc s THR 118 Ca 0.08 -0.86 -0.10 0.00 -1.18 0.00 0.00 61.69 59.64 1ifc s THR 118 Cb -0.09 -1.37 0.11 0.00 1.34 0.00 0.00 72.50 72.49 1ifc s THR 118 CO 0.01 0.46 0.59 -0.47 -0.54 0.00 0.00 174.62 174.68 1ifc s TYR 119 N -0.28 -1.15 -1.60 3.99 5.04 -0.76 -1.99 117.35 120.60 1ifc s TYR 119 Ca 0.03 2.08 -0.12 0.00 -2.44 0.00 0.00 57.07 56.62 1ifc s TYR 119 Cb -0.10 0.64 0.10 0.00 0.35 0.00 0.00 41.96 42.96 1ifc s TYR 119 CO 0.01 -0.59 0.62 0.39 -1.34 0.00 0.00 175.55 174.64 1ifc n GLU 120 N 5.22 -3.09 -0.79 4.97 -0.58 -1.26 -1.18 120.64 123.94 1ifc n GLU 120 Ca -0.13 0.37 0.00 0.00 -0.42 0.00 0.00 57.16 56.98 1ifc n GLU 120 Cb 0.51 -4.83 0.00 0.00 -0.57 0.00 0.00 31.44 26.55 1ifc n GLU 120 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1ifc n GLY 121 N -1.66 0.67 3.20 0.62 0.00 -1.26 -5.03 105.19 101.73 1ifc n GLY 121 Ca -0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.64 1ifc n GLY 121 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ifc s VAL 122 N -2.35 1.97 0.06 1.61 1.01 -0.32 -5.12 120.40 117.25 1ifc s VAL 122 Ca 0.00 -0.97 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1ifc s VAL 122 Cb 0.00 -1.71 -0.04 0.00 0.00 0.00 0.00 36.38 34.63 1ifc s VAL 122 CO 0.00 0.54 0.19 -0.70 0.00 0.00 0.00 175.10 175.13 1ifc s GLU 123 N 0.37 3.35 0.02 2.72 2.12 -1.26 -1.83 118.70 124.19 1ifc s GLU 123 Ca -0.19 -0.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.65 1ifc s GLU 123 Cb -0.18 -2.99 -0.02 0.00 0.26 0.00 0.00 34.13 31.20 1ifc s GLU 123 CO 0.08 0.61 0.03 0.00 -0.54 0.00 0.00 175.26 175.44 1ifc s ALA 124 N -1.47 0.03 0.03 6.30 0.00 -0.41 -4.72 121.76 121.52 1ifc s ALA 124 Ca 0.33 -0.55 0.04 0.00 0.00 0.00 0.00 51.96 51.78 1ifc s ALA 124 Cb -0.13 0.17 -0.02 0.00 0.00 0.00 0.00 23.12 23.14 1ifc s ALA 124 CO 0.26 -0.22 -0.12 0.15 0.00 0.00 0.00 175.76 175.83 1ifc s LYS 125 N -1.88 0.83 -0.09 0.00 1.02 0.02 -1.34 119.74 118.30 1ifc s LYS 125 Ca -0.12 -0.67 0.02 0.00 0.02 0.00 0.00 55.97 55.23 1ifc s LYS 125 Cb -0.06 -0.80 0.01 0.00 -0.52 0.00 0.00 37.83 36.46 1ifc s LYS 125 CO -0.02 0.20 -0.15 1.03 -0.92 0.00 0.00 175.35 175.48 1ifc s ARG 126 N -1.02 2.13 -0.12 1.68 0.52 0.16 -0.09 118.95 122.22 1ifc s ARG 126 Ca 0.00 -0.55 -0.00 0.00 -0.52 0.00 0.00 55.73 54.66 1ifc s ARG 126 Cb -0.07 -1.75 -0.02 0.00 0.52 0.00 0.00 34.95 33.63 1ifc s ARG 126 CO 0.01 0.02 -0.11 0.42 0.02 0.00 0.00 175.30 175.66 1ifc s ILE 127 N 0.74 3.30 0.02 1.52 1.09 0.85 -0.64 121.20 128.07 1ifc s ILE 127 Ca -0.12 -0.59 0.07 0.00 -1.10 0.00 0.00 60.65 58.91 1ifc s ILE 127 Cb -0.16 -2.38 -0.03 0.00 -1.06 0.00 0.00 42.46 38.83 1ifc s ILE 127 CO 0.03 0.53 -0.20 -0.36 -0.10 0.00 0.00 174.94 174.84 1ifc s PHE 128 N 0.11 2.52 0.01 3.97 0.40 0.29 0.50 117.98 125.77 1ifc s PHE 128 Ca -0.05 -0.29 -0.01 0.00 -0.60 0.00 0.00 56.93 55.99 1ifc s PHE 128 Cb -0.14 -1.49 -0.04 0.00 0.51 0.00 0.00 43.02 41.86 1ifc s PHE 128 CO 0.04 0.18 0.14 0.15 0.70 0.00 0.00 175.22 176.43 1ifc s LYS 129 N -1.16 3.24 -0.01 0.44 1.02 -0.20 -0.36 119.74 122.71 1ifc s LYS 129 Ca 0.13 -0.44 -0.30 0.00 0.02 0.00 0.00 55.97 55.38 1ifc s LYS 129 Cb -0.10 -2.96 -0.04 0.00 -0.52 0.00 0.00 37.83 34.20 1ifc s LYS 129 CO 0.03 0.65 1.20 0.21 -0.92 0.00 0.00 175.35 176.51 1ifc s LYS 130 N -1.97 4.39 0.00 1.68 2.47 -1.25 -0.97 119.74 124.08 1ifc s LYS 130 Ca 0.27 1.71 0.00 0.00 -1.56 0.00 0.00 55.97 56.38 1ifc s LYS 130 Cb -0.12 -3.48 0.00 0.00 -1.46 0.00 0.00 37.83 32.77 1ifc s LYS 130 CO 0.18 -0.37 0.00 -1.91 0.16 0.00 0.00 175.35 173.42