#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2x4o s ILE 1 N 0.00 2.52 -0.03 1.12 1.01 -1.26 -5.03 121.20 119.53 2x4o s ILE 1 Ca 0.00 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.08 2x4o s ILE 1 Cb 0.00 -3.27 0.03 0.00 0.01 0.00 0.00 42.46 39.23 2x4o s ILE 1 CO 0.00 0.06 -0.01 -1.10 0.00 0.00 0.00 174.94 173.89 2x4o s GLN 2 N -0.09 0.38 -0.05 2.79 -0.21 -1.26 -4.42 119.66 116.79 2x4o s GLN 2 Ca 0.62 0.05 0.06 0.00 0.02 0.00 0.00 55.36 56.11 2x4o s GLN 2 Cb -0.44 -0.53 -0.01 0.00 1.00 0.00 0.00 33.01 33.03 2x4o s GLN 2 CO 0.42 -0.13 -0.22 1.03 -2.12 0.00 0.00 175.29 174.27 2x4o s ARG 3 N 1.00 2.16 -0.01 2.91 0.52 0.17 -4.91 118.95 120.79 2x4o s ARG 3 Ca -0.10 -0.78 -0.30 0.00 -0.52 0.00 0.00 55.73 54.03 2x4o s ARG 3 Cb -0.14 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.43 2x4o s ARG 3 CO -0.01 0.34 0.97 0.99 0.02 0.00 0.00 175.30 177.61 2x4o s THR 4 N -0.14 4.87 0.19 0.02 2.01 -1.26 -1.50 115.64 119.84 2x4o s THR 4 Ca -0.02 2.04 -0.31 0.00 0.31 0.00 0.00 61.69 63.70 2x4o s THR 4 Cb -0.12 -4.31 -0.11 0.00 0.01 0.00 0.00 72.50 67.97 2x4o s THR 4 CO 0.02 0.15 1.60 -2.16 -0.69 0.00 0.00 174.62 173.55 2x4o s PRO 5 N 1.08 4.19 0.35 4.92 0.04 -1.26 -4.40 135.00 139.92 2x4o s PRO 5 Ca 0.51 2.43 -0.24 0.00 0.04 0.00 0.00 61.00 63.74 2x4o s PRO 5 Cb -0.21 -3.12 -0.10 0.00 0.04 0.00 0.00 34.50 31.11 2x4o s PRO 5 CO 0.27 -0.63 0.93 0.15 0.04 0.00 0.00 177.00 177.76 2x4o s LYS 6 N 0.93 4.46 -0.04 4.56 1.02 0.25 -4.89 119.74 126.03 2x4o s LYS 6 Ca 0.70 1.24 0.02 0.00 0.02 0.00 0.00 55.97 57.95 2x4o s LYS 6 Cb -0.45 -2.62 0.01 0.00 -0.52 0.00 0.00 37.83 34.25 2x4o s LYS 6 CO 0.33 0.19 -0.10 0.42 -0.92 0.00 0.00 175.35 175.27 2x4o s ILE 7 N -1.78 0.92 -0.03 2.17 1.01 -1.26 -1.63 121.20 120.60 2x4o s ILE 7 Ca 0.53 -0.40 0.01 0.00 0.00 0.00 0.00 60.65 60.80 2x4o s ILE 7 Cb -0.16 -0.83 0.01 0.00 0.01 0.00 0.00 42.46 41.49 2x4o s ILE 7 CO 0.20 0.29 -0.05 -1.10 0.00 0.00 0.00 174.94 174.29 2x4o s GLN 8 N 0.41 0.66 -0.06 2.79 -0.21 -0.36 -4.99 119.66 117.89 2x4o s GLN 8 Ca -0.08 -0.15 0.05 0.00 0.02 0.00 0.00 55.36 55.21 2x4o s GLN 8 Cb -0.12 -0.67 -0.01 0.00 1.00 0.00 0.00 33.01 33.21 2x4o s GLN 8 CO 0.02 0.01 -0.22 0.08 -2.12 0.00 0.00 175.29 173.05 2x4o s VAL 9 N 0.46 2.29 -0.21 1.09 1.01 -1.26 -0.08 120.40 123.71 2x4o s VAL 9 Ca -0.06 -0.98 -0.35 0.00 0.00 0.00 0.00 61.98 60.59 2x4o s VAL 9 Cb -0.09 -1.85 0.14 0.00 0.00 0.00 0.00 36.38 34.58 2x4o s VAL 9 CO -0.00 0.57 1.24 -0.72 0.00 0.00 0.00 175.10 176.19 2x4o s TYR 10 N -0.21 -0.11 0.10 5.22 -0.85 -0.49 -4.66 117.35 116.36 2x4o s TYR 10 Ca -0.02 0.08 -0.05 0.00 -0.52 0.00 0.00 57.07 56.56 2x4o s TYR 10 Cb -0.13 0.51 -0.05 0.00 0.38 0.00 0.00 41.96 42.66 2x4o s TYR 10 CO 0.03 -0.17 0.34 -1.54 -1.52 0.00 0.00 175.55 172.70 2x4o s SER 11 N -2.06 6.49 0.18 -0.18 1.04 -1.26 0.29 113.70 118.21 2x4o s SER 11 Ca 0.09 0.57 -0.12 0.00 0.48 0.00 0.00 55.95 56.97 2x4o s SER 11 Cb -0.01 -2.08 0.10 0.00 0.10 0.00 0.00 66.02 64.12 2x4o s SER 11 CO -0.04 0.11 1.80 -0.09 0.98 0.00 0.00 173.24 176.00 2x4o h ARG 12 N 3.15 0.87 -6.35 4.02 2.43 -1.57 -3.43 114.38 113.50 2x4o h ARG 12 Ca -0.47 -0.10 -0.60 0.00 -0.81 0.00 0.00 59.98 58.00 2x4o h ARG 12 Cb 1.17 -0.17 -0.12 0.00 -0.42 0.00 0.00 29.97 30.43 2x4o h ARG 12 CO 0.71 0.66 -0.68 -1.01 -1.51 0.00 0.00 179.97 178.14 2x4o s HIS 13 N -5.85 2.74 0.10 2.20 3.76 -1.26 -5.04 115.29 111.93 2x4o s HIS 13 Ca -0.13 -0.18 -0.36 0.00 -0.15 0.00 0.00 55.06 54.23 2x4o s HIS 13 Cb 0.13 -1.31 -0.17 0.00 1.11 0.00 0.00 32.58 32.35 2x4o s HIS 13 CO 0.78 0.53 1.33 -2.30 -0.85 0.00 0.00 174.74 174.23 2x4o n PRO 14 N -0.21 1.17 -2.33 8.40 -0.02 -1.26 -4.86 135.00 135.90 2x4o n PRO 14 Ca -0.09 0.42 -0.41 0.00 -2.02 0.00 0.00 63.50 61.40 2x4o n PRO 14 Cb 0.56 -2.05 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 2x4o n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2x4o s ALA 15 N 0.42 3.46 -0.06 3.55 0.00 -1.26 -5.03 121.76 122.84 2x4o s ALA 15 Ca 0.83 1.02 -0.02 0.00 0.00 0.00 0.00 51.96 53.79 2x4o s ALA 15 Cb -0.94 -3.41 0.04 0.00 0.00 0.00 0.00 23.12 18.81 2x4o s ALA 15 CO 0.47 -0.39 0.12 -1.21 0.00 0.00 0.00 175.76 174.75 2x4o s GLU 16 N -0.82 0.02 0.25 0.00 2.02 -1.26 -5.13 118.70 113.78 2x4o s GLU 16 Ca 0.51 0.42 -0.31 0.00 0.02 0.00 0.00 54.97 55.61 2x4o s GLU 16 Cb -0.34 -0.29 -0.13 0.00 0.10 0.00 0.00 34.13 33.47 2x4o s GLU 16 CO 0.41 -0.25 1.46 0.09 0.02 0.00 0.00 175.26 176.99 2x4o n ASN 17 N 4.86 3.04 -0.27 -0.19 3.02 -1.26 -2.14 115.26 122.32 2x4o n ASN 17 Ca -0.14 1.14 -0.04 0.00 -0.03 0.00 0.00 54.58 55.52 2x4o n ASN 17 Cb 0.50 -1.47 -0.02 0.00 -0.61 0.00 0.00 39.78 38.19 2x4o n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2x4o n GLY 18 N 2.23 0.66 3.05 7.41 0.00 -0.26 -4.99 105.19 113.29 2x4o n GLY 18 Ca 0.11 -0.57 -0.26 0.00 0.00 0.00 0.00 46.02 45.29 2x4o n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2x4o s LYS 19 N -1.84 1.97 0.68 1.61 1.02 -0.91 -5.03 119.74 117.25 2x4o s LYS 19 Ca 0.00 -0.50 -0.17 0.00 0.02 0.00 0.00 55.97 55.32 2x4o s LYS 19 Cb 0.00 -1.62 -0.04 0.00 -0.52 0.00 0.00 37.83 35.66 2x4o s LYS 19 CO 0.00 0.03 0.73 -1.13 -0.92 0.00 0.00 175.35 174.06 2x4o n SER 20 N 3.86 -0.34 -2.35 2.83 3.41 -1.26 -4.22 113.62 115.55 2x4o n SER 20 Ca -0.21 0.67 -0.01 0.00 -0.26 0.00 0.00 58.87 59.06 2x4o n SER 20 Cb 0.52 -1.29 0.01 0.00 -0.26 0.00 0.00 64.21 63.18 2x4o n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2x4o n ASN 21 N -0.64 -0.86 -4.04 4.04 2.85 0.23 -4.96 115.26 111.88 2x4o n ASN 21 Ca 0.12 -1.39 -0.24 0.00 -0.11 0.00 0.00 54.58 52.97 2x4o n ASN 21 Cb 0.49 1.38 -0.16 0.00 1.24 0.00 0.00 39.78 42.73 2x4o n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2x4o s PHE 22 N -3.45 1.37 -0.16 1.20 0.08 -1.26 -1.03 117.98 114.73 2x4o s PHE 22 Ca 0.14 -0.45 -0.19 0.00 0.12 0.00 0.00 56.93 56.55 2x4o s PHE 22 Cb -0.01 -0.99 -0.04 0.00 -0.57 0.00 0.00 43.02 41.41 2x4o s PHE 22 CO 0.02 -0.21 0.53 -1.17 -0.10 0.00 0.00 175.22 174.28 2x4o s LEU 23 N 0.45 4.21 -0.05 -0.37 2.96 0.68 -1.30 118.68 125.26 2x4o s LEU 23 Ca -0.10 0.78 0.04 0.00 -0.22 0.00 0.00 54.13 54.63 2x4o s LEU 23 Cb -0.13 -2.75 -0.02 0.00 0.50 0.00 0.00 46.19 43.78 2x4o s LEU 23 CO 0.03 -0.12 -0.16 0.20 -1.32 0.00 0.00 176.35 174.98 2x4o s ASN 24 N 0.93 3.86 -0.23 3.68 0.01 0.15 -1.77 114.94 121.57 2x4o s ASN 24 Ca 0.26 -0.25 0.01 0.00 -0.71 0.00 0.00 52.86 52.17 2x4o s ASN 24 Cb -0.15 -0.79 0.06 0.00 0.41 0.00 0.00 41.25 40.78 2x4o s ASN 24 CO 0.11 0.34 -0.06 0.00 -1.51 0.00 0.00 177.10 175.97 2x4o s TYR 26 N 1.40 3.20 -0.15 0.00 5.04 0.89 -0.85 117.35 126.89 2x4o s TYR 26 Ca -0.05 -0.30 -0.01 0.00 -2.44 0.00 0.00 57.07 54.26 2x4o s TYR 26 Cb -0.18 -2.41 -0.02 0.00 0.35 0.00 0.00 41.96 39.70 2x4o s TYR 26 CO -0.06 -0.37 -0.10 0.14 -1.34 0.00 0.00 175.55 173.82 2x4o s VAL 27 N 1.68 3.26 0.17 3.14 -7.23 -0.61 -1.23 120.40 119.59 2x4o s VAL 27 Ca 0.06 -0.58 -0.01 0.00 -1.81 0.00 0.00 61.98 59.64 2x4o s VAL 27 Cb -0.17 -2.40 -0.04 0.00 0.56 0.00 0.00 36.38 34.33 2x4o s VAL 27 CO 0.09 0.51 0.09 -0.94 -0.31 0.00 0.00 175.10 174.54 2x4o s SER 28 N 0.50 0.27 -1.35 4.85 1.04 -0.64 -1.06 113.70 117.31 2x4o s SER 28 Ca -0.07 -1.31 0.00 0.00 0.48 0.00 0.00 55.95 55.05 2x4o s SER 28 Cb -0.15 0.33 0.00 0.00 0.10 0.00 0.00 66.02 66.30 2x4o s SER 28 CO 0.04 -0.78 0.00 0.61 0.98 0.00 0.00 173.24 174.08 2x4o n GLY 29 N -0.20 0.57 3.91 7.32 0.00 -0.28 -0.58 105.19 115.93 2x4o n GLY 29 Ca -0.01 -0.32 -0.20 0.00 0.00 0.00 0.00 46.02 45.48 2x4o n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2x4o s PHE 30 N -2.62 3.09 -0.29 1.61 -0.71 -1.13 -4.02 117.98 113.91 2x4o s PHE 30 Ca 0.00 -0.20 -0.19 0.00 -1.04 0.00 0.00 56.93 55.50 2x4o s PHE 30 Cb 0.00 -1.77 0.16 0.00 -1.21 0.00 0.00 43.02 40.20 2x4o s PHE 30 CO 0.00 0.21 1.09 -1.58 -1.34 0.00 0.00 175.22 173.60 2x4o s HIS 31 N -2.18 -0.40 0.38 3.49 2.46 -0.56 -0.83 115.29 117.64 2x4o s HIS 31 Ca 0.40 0.86 -0.06 0.00 0.47 0.00 0.00 55.06 56.72 2x4o s HIS 31 Cb -0.08 0.32 0.09 0.00 -0.13 0.00 0.00 32.58 32.78 2x4o s HIS 31 CO 0.28 -0.20 0.35 -0.35 -2.47 0.00 0.00 174.74 172.36 2x4o n PRO 32 N 2.97 -1.51 0.20 2.88 -0.04 -1.26 -0.66 135.00 137.58 2x4o n PRO 32 Ca -0.16 -0.56 0.10 0.00 -0.04 0.00 0.00 63.50 62.84 2x4o n PRO 32 Cb 0.57 -0.50 0.14 0.00 -0.04 0.00 0.00 33.50 33.67 2x4o n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2x4o h SER 33 N -1.41 0.00 -1.80 3.54 4.64 -2.00 -3.44 113.55 113.07 2x4o h SER 33 Ca -0.13 0.00 -0.61 0.00 -0.47 0.00 0.00 61.79 60.58 2x4o h SER 33 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 2x4o h SER 33 CO 0.09 0.11 1.36 -0.67 -0.87 0.00 0.00 176.83 176.85 2x4o n ASP 34 N -3.13 3.11 -3.72 4.97 2.03 -1.26 -4.94 116.55 113.61 2x4o n ASP 34 Ca 0.04 0.49 -0.13 0.00 0.52 0.00 0.00 54.79 55.71 2x4o n ASP 34 Cb 0.58 -1.44 -0.10 0.00 -0.72 0.00 0.00 41.12 39.43 2x4o n ASP 34 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2x4o s ILE 35 N 6.76 -0.01 -0.19 5.18 2.07 -1.26 -4.63 121.20 129.12 2x4o s ILE 35 Ca 1.00 0.02 -0.08 0.00 -1.41 0.00 0.00 60.65 60.18 2x4o s ILE 35 Cb -0.56 -0.58 -0.04 0.00 0.13 0.00 0.00 42.46 41.41 2x4o s ILE 35 CO 0.43 0.01 0.09 -1.61 -1.91 0.00 0.00 174.94 171.95 2x4o s GLU 36 N 0.47 4.04 -0.05 3.50 2.02 -0.34 -4.98 118.70 123.37 2x4o s GLU 36 Ca -0.02 -0.30 -0.00 0.00 0.02 0.00 0.00 54.97 54.67 2x4o s GLU 36 Cb -0.04 -3.30 0.03 0.00 0.10 0.00 0.00 34.13 30.92 2x4o s GLU 36 CO -0.02 0.26 -0.01 0.08 0.02 0.00 0.00 175.26 175.59 2x4o s VAL 37 N 0.43 0.36 0.01 2.63 1.01 -1.26 -0.23 120.40 123.35 2x4o s VAL 37 Ca 0.05 0.04 0.04 0.00 0.00 0.00 0.00 61.98 62.12 2x4o s VAL 37 Cb -0.12 -0.46 -0.01 0.00 0.00 0.00 0.00 36.38 35.79 2x4o s VAL 37 CO -0.00 0.22 -0.14 -1.81 0.00 0.00 0.00 175.10 173.37 2x4o s ASP 38 N 1.38 1.62 -0.18 3.32 1.01 0.40 -4.99 116.67 119.23 2x4o s ASP 38 Ca -0.04 -0.32 -0.09 0.00 0.71 0.00 0.00 52.55 52.80 2x4o s ASP 38 Cb -0.13 -0.15 -0.05 0.00 1.01 0.00 0.00 42.92 43.60 2x4o s ASP 38 CO -0.02 0.12 0.12 -0.76 0.21 0.00 0.00 175.17 174.83 2x4o s LEU 39 N -0.62 4.17 -0.08 1.23 1.43 -1.26 -0.08 118.68 123.46 2x4o s LEU 39 Ca 0.04 0.24 0.00 0.00 -1.03 0.00 0.00 54.13 53.39 2x4o s LEU 39 Cb -0.06 -2.06 -0.03 0.00 0.03 0.00 0.00 46.19 44.07 2x4o s LEU 39 CO 0.00 0.22 -0.08 -0.76 0.23 0.00 0.00 176.35 175.96 2x4o s LEU 40 N 0.12 3.08 -0.27 1.79 1.43 0.59 -0.98 118.68 124.45 2x4o s LEU 40 Ca 0.08 -0.09 -0.01 0.00 -1.03 0.00 0.00 54.13 53.09 2x4o s LEU 40 Cb -0.11 -1.68 0.04 0.00 0.03 0.00 0.00 46.19 44.47 2x4o s LEU 40 CO -0.01 0.32 -0.04 -0.75 0.23 0.00 0.00 176.35 176.10 2x4o s LYS 41 N -0.53 2.58 -1.31 1.70 2.20 -0.25 -1.52 119.74 122.61 2x4o s LYS 41 Ca 0.08 -1.15 -0.05 0.00 -0.36 0.00 0.00 55.97 54.49 2x4o s LYS 41 Cb -0.12 -3.05 -0.00 0.00 -1.51 0.00 0.00 37.83 33.15 2x4o s LYS 41 CO 0.02 -0.51 0.59 0.09 -0.36 0.00 0.00 175.35 175.18 2x4o n ASN 42 N 4.62 -1.81 0.00 1.43 5.03 0.16 -2.40 115.26 122.29 2x4o n ASN 42 Ca -0.15 -0.95 0.00 0.00 0.87 0.00 0.00 54.58 54.35 2x4o n ASN 42 Cb 0.45 -3.45 0.00 0.00 -1.02 0.00 0.00 39.78 35.76 2x4o n ASN 42 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2x4o n GLY 43 N -1.78 0.70 3.36 7.41 0.00 -1.26 -4.99 105.19 108.64 2x4o n GLY 43 Ca -0.25 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.44 2x4o n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2x4o s GLU 44 N -0.30 2.70 0.32 1.61 2.12 -1.01 -5.01 118.70 119.13 2x4o s GLU 44 Ca 0.00 -0.79 -0.29 0.00 0.36 0.00 0.00 54.97 54.25 2x4o s GLU 44 Cb 0.00 -2.34 -0.12 0.00 0.26 0.00 0.00 34.13 31.94 2x4o s GLU 44 CO 0.00 0.44 1.48 -2.13 -0.54 0.00 0.00 175.26 174.51 2x4o n ARG 45 N 2.83 2.48 -3.15 4.30 0.63 -1.26 -1.09 116.66 121.40 2x4o n ARG 45 Ca -0.17 0.88 -0.40 0.00 -0.92 0.00 0.00 57.85 57.24 2x4o n ARG 45 Cb 0.52 -2.59 -0.06 0.00 0.45 0.00 0.00 32.46 30.78 2x4o n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2x4o s ILE 46 N -0.51 5.05 0.10 5.15 1.01 -0.15 -4.86 121.20 126.99 2x4o s ILE 46 Ca 0.60 1.14 -0.16 0.00 0.00 0.00 0.00 60.65 62.24 2x4o s ILE 46 Cb -0.53 -3.92 -0.05 0.00 0.01 0.00 0.00 42.46 37.96 2x4o s ILE 46 CO 0.55 0.15 1.52 -0.33 0.00 0.00 0.00 174.94 176.83 2x4o h GLU 47 N 7.38 0.62 -3.76 2.79 5.08 -1.93 -3.37 114.58 121.39 2x4o h GLU 47 Ca -0.33 -0.22 -0.75 0.00 -1.00 0.00 0.00 59.36 57.06 2x4o h GLU 47 Cb 1.15 -0.04 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2x4o h GLU 47 CO 0.76 0.78 2.06 1.63 -1.00 0.00 0.00 179.01 183.25 2x4o n LYS 48 N -4.47 3.50 -5.00 2.33 5.02 -1.26 -4.93 118.16 113.35 2x4o n LYS 48 Ca -0.02 -3.46 -0.29 0.00 -2.02 0.00 0.00 58.31 52.52 2x4o n LYS 48 Cb 0.31 -2.99 -0.16 0.00 -0.02 0.00 0.00 35.03 32.17 2x4o n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2x4o s VAL 49 N 0.90 1.69 0.45 -0.18 1.01 -1.26 -4.66 120.40 118.35 2x4o s VAL 49 Ca 0.41 -0.84 0.06 0.00 0.00 0.00 0.00 61.98 61.61 2x4o s VAL 49 Cb 0.08 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.99 2x4o s VAL 49 CO -0.00 0.48 0.23 -1.61 0.00 0.00 0.00 175.10 174.19 2x4o s GLU 50 N 0.13 2.25 0.05 2.72 2.02 -0.76 -4.96 118.70 120.14 2x4o s GLU 50 Ca -0.08 -1.92 -0.10 0.00 0.02 0.00 0.00 54.97 52.88 2x4o s GLU 50 Cb -0.14 -1.99 0.01 0.00 0.10 0.00 0.00 34.13 32.11 2x4o s GLU 50 CO 0.04 -0.26 0.22 -3.38 0.02 0.00 0.00 175.26 171.89 2x4o s HIS 51 N -2.66 0.03 1.15 1.61 -3.43 -1.26 -1.23 115.29 109.51 2x4o s HIS 51 Ca 0.36 -0.26 -0.16 0.00 -0.80 0.00 0.00 55.06 54.20 2x4o s HIS 51 Cb 0.02 -0.01 0.26 0.00 -1.43 0.00 0.00 32.58 31.42 2x4o s HIS 51 CO 0.20 -0.46 1.08 -1.54 -2.00 0.00 0.00 174.74 172.02 2x4o s SER 52 N -2.17 1.29 0.03 7.38 1.04 0.59 -4.97 113.70 116.88 2x4o s SER 52 Ca -0.04 0.94 -0.26 0.00 0.48 0.00 0.00 55.95 57.07 2x4o s SER 52 Cb -0.00 -1.42 -0.05 0.00 0.10 0.00 0.00 66.02 64.65 2x4o s SER 52 CO -0.05 -3.93 0.81 -1.81 0.98 0.00 0.00 173.24 169.24 2x4o s ASP 53 N -3.50 7.23 -0.17 7.02 1.01 -1.26 -4.77 116.67 122.22 2x4o s ASP 53 Ca 0.68 1.47 -0.39 0.00 0.71 0.00 0.00 52.55 55.03 2x4o s ASP 53 Cb -0.15 -2.49 -0.15 0.00 1.01 0.00 0.00 42.92 41.14 2x4o s ASP 53 CO 0.58 -0.06 1.67 -0.11 0.21 0.00 0.00 175.17 177.46 2x4o n LEU 54 N 3.13 2.35 -4.32 1.23 7.94 -1.26 -4.95 117.00 121.12 2x4o n LEU 54 Ca -0.01 1.07 -0.18 0.00 -1.11 0.00 0.00 56.01 55.79 2x4o n LEU 54 Cb 0.50 -1.18 -0.09 0.00 0.53 0.00 0.00 43.42 43.18 2x4o n LEU 54 CO 0.48 -0.52 -0.19 -0.55 -1.11 0.00 0.00 177.39 175.50 2x4o s SER 55 N 2.90 1.46 0.16 1.96 0.15 -1.21 -5.04 113.70 114.07 2x4o s SER 55 Ca 0.94 -1.56 -0.06 0.00 0.70 0.00 0.00 55.95 55.97 2x4o s SER 55 Cb -1.00 0.40 -0.02 0.00 -1.71 0.00 0.00 66.02 63.69 2x4o s SER 55 CO 0.60 -0.90 0.21 0.72 1.20 0.00 0.00 173.24 175.07 2x4o s PHE 56 N -3.63 0.57 0.34 3.44 -0.12 -1.26 -1.47 117.98 115.85 2x4o s PHE 56 Ca 0.36 -0.94 0.03 0.00 -0.05 0.00 0.00 56.93 56.33 2x4o s PHE 56 Cb 0.05 -0.21 0.06 0.00 -0.63 0.00 0.00 43.02 42.29 2x4o s PHE 56 CO 0.18 -0.66 0.46 0.43 -0.05 0.00 0.00 175.22 175.58 2x4o n SER 57 N -0.18 0.91 0.10 1.98 7.64 0.44 -4.94 113.62 119.58 2x4o n SER 57 Ca -0.06 -1.70 0.05 0.00 1.01 0.00 0.00 58.87 58.17 2x4o n SER 57 Cb 0.63 -0.27 0.49 0.00 -1.01 0.00 0.00 64.21 64.05 2x4o n SER 57 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2x4o h LYS 58 N 0.00 0.34 -0.32 1.43 3.64 -2.03 -0.63 116.57 119.00 2x4o h LYS 58 Ca -0.15 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.20 2x4o h LYS 58 Cb 0.64 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 2x4o h LYS 58 CO 0.19 0.24 0.00 -0.40 -2.27 0.00 0.00 179.45 177.22 2x4o n ASP 59 N -4.48 1.53 0.00 4.20 5.75 -1.26 -4.90 116.55 117.39 2x4o n ASP 59 Ca 0.01 -2.03 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2x4o n ASP 59 Cb 0.09 -0.21 0.00 0.00 -1.03 0.00 0.00 41.12 39.96 2x4o n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2x4o n TRP 60 N 0.26 0.00 -2.47 2.11 7.02 -0.24 -5.02 117.44 119.10 2x4o n TRP 60 Ca 0.09 0.00 -0.37 0.00 -1.02 0.00 0.00 57.50 56.20 2x4o n TRP 60 Cb 0.26 -0.32 -0.03 0.00 -2.42 0.00 0.00 31.31 28.79 2x4o n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2x4o s SER 61 N -3.00 6.60 0.43 -0.99 1.04 -1.26 -4.62 113.70 111.89 2x4o s SER 61 Ca 0.00 2.10 -0.12 0.00 0.48 0.00 0.00 55.95 58.41 2x4o s SER 61 Cb 0.00 -2.59 -0.07 0.00 0.10 0.00 0.00 66.02 63.46 2x4o s SER 61 CO 0.00 -0.60 0.81 -0.36 0.98 0.00 0.00 173.24 174.07 2x4o s PHE 62 N -1.64 3.46 -0.01 5.02 0.08 -0.01 -0.42 117.98 124.47 2x4o s PHE 62 Ca 0.59 1.14 -0.03 0.00 0.12 0.00 0.00 56.93 58.75 2x4o s PHE 62 Cb -0.23 -2.52 -0.00 0.00 -0.57 0.00 0.00 43.02 39.70 2x4o s PHE 62 CO 0.29 -0.16 0.06 1.52 -0.10 0.00 0.00 175.22 176.84 2x4o s TYR 63 N -2.41 0.02 0.00 0.36 -0.85 -0.54 -1.13 117.35 112.80 2x4o s TYR 63 Ca 0.53 -0.03 -0.00 0.00 -0.52 0.00 0.00 57.07 57.04 2x4o s TYR 63 Cb -0.10 -0.04 -0.01 0.00 0.38 0.00 0.00 41.96 42.19 2x4o s TYR 63 CO 0.31 -0.12 -0.00 -0.51 -1.52 0.00 0.00 175.55 173.70 2x4o s LEU 64 N -0.59 2.04 -0.22 -3.49 1.43 -0.22 -3.32 118.68 114.30 2x4o s LEU 64 Ca -0.07 -0.14 -0.06 0.00 -1.03 0.00 0.00 54.13 52.83 2x4o s LEU 64 Cb -0.04 0.07 -0.03 0.00 0.03 0.00 0.00 46.19 46.22 2x4o s LEU 64 CO 0.00 -0.10 0.03 -0.22 0.23 0.00 0.00 176.35 176.29 2x4o s LEU 65 N -0.47 3.35 -0.12 1.79 2.96 -1.26 -1.57 118.68 123.36 2x4o s LEU 65 Ca -0.05 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.61 2x4o s LEU 65 Cb -0.03 -1.87 -0.04 0.00 0.50 0.00 0.00 46.19 44.75 2x4o s LEU 65 CO -0.00 0.02 0.08 -0.31 -1.32 0.00 0.00 176.35 174.82 2x4o s TYR 66 N 1.26 3.39 0.07 5.38 2.02 -0.03 -0.30 117.35 129.14 2x4o s TYR 66 Ca 0.04 0.34 -0.17 0.00 -0.37 0.00 0.00 57.07 56.91 2x4o s TYR 66 Cb -0.15 -1.91 0.03 0.00 -0.40 0.00 0.00 41.96 39.53 2x4o s TYR 66 CO 0.02 0.54 0.39 1.52 -1.57 0.00 0.00 175.55 176.45 2x4o s TYR 67 N -0.73 -0.21 -0.03 2.71 -0.85 -0.36 -0.29 117.35 117.58 2x4o s TYR 67 Ca 0.12 0.06 -0.18 0.00 -0.52 0.00 0.00 57.07 56.55 2x4o s TYR 67 Cb -0.12 0.21 0.03 0.00 0.38 0.00 0.00 41.96 42.46 2x4o s TYR 67 CO 0.03 -0.60 0.39 -0.08 -1.52 0.00 0.00 175.55 173.77 2x4o s THR 68 N -2.94 0.04 0.30 -3.49 -1.32 -0.73 -1.82 115.64 105.68 2x4o s THR 68 Ca -0.02 -0.35 -0.29 0.00 -1.21 0.00 0.00 61.69 59.81 2x4o s THR 68 Cb 0.00 -0.70 -0.10 0.00 -1.51 0.00 0.00 72.50 70.20 2x4o s THR 68 CO -0.06 -0.19 1.21 -1.61 -2.21 0.00 0.00 174.62 171.76 2x4o s GLU 69 N -1.24 4.49 0.16 7.08 2.02 -1.26 -0.23 118.70 129.71 2x4o s GLU 69 Ca -0.13 2.02 -0.24 0.00 0.02 0.00 0.00 54.97 56.65 2x4o s GLU 69 Cb -0.04 -3.13 0.07 0.00 0.10 0.00 0.00 34.13 31.13 2x4o s GLU 69 CO 0.05 -0.01 0.66 -0.59 0.02 0.00 0.00 175.26 175.40 2x4o s PHE 70 N -1.09 -0.45 -0.22 1.61 -0.00 -0.20 -4.82 117.98 112.81 2x4o s PHE 70 Ca 0.47 0.21 0.02 0.00 -0.00 0.00 0.00 56.93 57.64 2x4o s PHE 70 Cb -0.36 0.58 0.04 0.00 -0.00 0.00 0.00 43.02 43.28 2x4o s PHE 70 CO 0.47 -0.87 -0.15 0.99 -0.00 0.00 0.00 175.22 175.66 2x4o s THR 71 N -3.68 2.06 0.20 -4.49 2.01 -1.26 -0.60 115.64 109.87 2x4o s THR 71 Ca 0.03 -1.24 -0.31 0.00 0.31 0.00 0.00 61.69 60.48 2x4o s THR 71 Cb -0.02 -2.02 -0.10 0.00 0.01 0.00 0.00 72.50 70.37 2x4o s THR 71 CO -0.09 0.25 1.56 -2.84 -0.69 0.00 0.00 174.62 172.81 2x4o s PRO 72 N 1.22 4.21 0.23 4.92 0.02 -1.26 -4.80 135.00 139.54 2x4o s PRO 72 Ca -0.02 2.39 0.11 0.00 0.02 0.00 0.00 61.00 63.50 2x4o s PRO 72 Cb -0.16 -3.13 -0.05 0.00 0.02 0.00 0.00 34.50 31.18 2x4o s PRO 72 CO -0.09 -0.58 -0.15 0.95 -0.33 0.00 0.00 177.00 176.79 2x4o s THR 73 N 0.82 2.78 0.55 0.99 -4.23 -1.26 -1.10 115.64 114.19 2x4o s THR 73 Ca 0.68 -2.03 0.24 0.00 -1.18 0.00 0.00 61.69 59.41 2x4o s THR 73 Cb -0.44 -2.41 0.36 0.00 1.34 0.00 0.00 72.50 71.35 2x4o s THR 73 CO 0.35 -0.24 2.05 -0.08 -0.54 0.00 0.00 174.62 176.16 2x4o h GLU 74 N 2.65 0.00 0.00 3.99 4.81 -1.98 -3.03 114.58 121.02 2x4o h GLU 74 Ca -0.44 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.79 2x4o h GLU 74 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 2x4o h GLU 74 CO 0.55 0.00 -0.38 1.63 -0.73 0.00 0.00 179.01 180.08 2x4o n LYS 75 N -4.23 4.45 -2.38 1.92 5.02 -1.26 -4.98 118.16 116.69 2x4o n LYS 75 Ca 0.05 -0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.92 2x4o n LYS 75 Cb 0.43 -0.85 -0.03 0.00 -0.02 0.00 0.00 35.03 34.55 2x4o n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2x4o s ASP 76 N -1.72 7.10 -0.09 4.39 1.01 -1.15 -5.04 116.67 121.18 2x4o s ASP 76 Ca 0.02 2.24 0.01 0.00 0.71 0.00 0.00 52.55 55.53 2x4o s ASP 76 Cb 0.05 -2.61 -0.02 0.00 1.01 0.00 0.00 42.92 41.35 2x4o s ASP 76 CO 0.29 -0.35 -0.11 -1.61 0.21 0.00 0.00 175.17 173.60 2x4o s GLU 77 N -0.35 2.95 0.06 8.23 2.02 -1.26 -4.75 118.70 125.60 2x4o s GLU 77 Ca 0.52 -0.64 0.09 0.00 0.02 0.00 0.00 54.97 54.96 2x4o s GLU 77 Cb -0.32 -2.56 -0.03 0.00 0.10 0.00 0.00 34.13 31.31 2x4o s GLU 77 CO 0.37 0.47 -0.25 0.71 0.02 0.00 0.00 175.26 176.59 2x4o s TYR 78 N -0.31 2.15 0.17 1.61 2.02 -1.26 0.40 117.35 122.13 2x4o s TYR 78 Ca 0.03 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.28 2x4o s TYR 78 Cb -0.13 -1.26 -0.02 0.00 -0.40 0.00 0.00 41.96 40.15 2x4o s TYR 78 CO 0.03 0.15 0.21 0.00 -1.57 0.00 0.00 175.55 174.36 2x4o s ALA 79 N -0.85 0.46 -0.14 3.71 0.00 -0.57 -0.11 121.76 124.26 2x4o s ALA 79 Ca 0.11 -1.22 0.02 0.00 0.00 0.00 0.00 51.96 50.87 2x4o s ALA 79 Cb -0.10 0.99 0.01 0.00 0.00 0.00 0.00 23.12 24.02 2x4o s ALA 79 CO 0.03 -0.61 -0.20 0.00 0.00 0.00 0.00 175.76 174.97 2x4o s ARG 81 N 0.90 3.73 -0.09 0.00 3.52 0.89 -0.73 118.95 127.17 2x4o s ARG 81 Ca -0.06 -0.45 0.02 0.00 -0.13 0.00 0.00 55.73 55.11 2x4o s ARG 81 Cb -0.15 -3.27 0.01 0.00 -1.56 0.00 0.00 34.95 29.98 2x4o s ARG 81 CO -0.03 -0.05 -0.14 0.08 -0.81 0.00 0.00 175.30 174.35 2x4o s VAL 82 N 1.22 1.37 -0.00 7.11 1.01 0.86 -0.45 120.40 131.52 2x4o s VAL 82 Ca 0.04 -0.59 0.08 0.00 0.00 0.00 0.00 61.98 61.51 2x4o s VAL 82 Cb -0.14 -1.25 -0.02 0.00 0.00 0.00 0.00 36.38 34.96 2x4o s VAL 82 CO 0.03 0.41 -0.24 0.21 0.00 0.00 0.00 175.10 175.52 2x4o s ASN 83 N 0.81 3.30 0.12 3.32 2.47 0.69 -0.41 114.94 125.23 2x4o s ASN 83 Ca -0.11 -0.45 -0.19 0.00 0.42 0.00 0.00 52.86 52.52 2x4o s ASN 83 Cb -0.16 -0.43 0.05 0.00 -1.45 0.00 0.00 41.25 39.26 2x4o s ASN 83 CO 0.02 0.30 0.48 -2.28 -3.72 0.00 0.00 177.10 171.90 2x4o s HIS 84 N -0.70 -0.34 0.47 0.43 5.65 -1.26 -1.19 115.29 118.34 2x4o s HIS 84 Ca 0.11 0.14 0.17 0.00 0.25 0.00 0.00 55.06 55.73 2x4o s HIS 84 Cb -0.10 0.36 1.17 0.00 -1.18 0.00 0.00 32.58 32.83 2x4o s HIS 84 CO 0.01 -0.73 2.06 -0.24 -0.65 0.00 0.00 174.74 175.18 2x4o h VAL 85 N 2.37 0.99 0.00 0.89 3.04 -1.94 -1.80 116.25 119.80 2x4o h VAL 85 Ca -0.33 -0.43 0.00 0.00 -1.01 0.00 0.00 66.70 64.93 2x4o h VAL 85 Cb 1.26 1.24 0.00 0.00 -2.01 0.00 0.00 31.29 31.78 2x4o h VAL 85 CO 0.43 0.12 0.00 0.35 -1.01 0.00 0.00 177.57 177.46 2x4o n THR 86 N -4.26 0.41 -3.81 3.17 -2.24 -1.26 -4.68 114.28 101.61 2x4o n THR 86 Ca -0.03 0.10 -0.35 0.00 -2.27 0.00 0.00 64.05 61.50 2x4o n THR 86 Cb 0.20 -0.72 -0.08 0.00 -2.10 0.00 0.00 70.33 67.63 2x4o n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2x4o s LEU 87 N -2.88 4.14 0.26 3.22 1.43 -0.68 -4.98 118.68 119.20 2x4o s LEU 87 Ca 0.14 0.23 0.01 0.00 -1.03 0.00 0.00 54.13 53.48 2x4o s LEU 87 Cb 0.15 -2.06 0.34 0.00 0.03 0.00 0.00 46.19 44.65 2x4o s LEU 87 CO 0.39 0.21 1.67 0.77 0.23 0.00 0.00 176.35 179.62 2x4o h SER 88 N 6.44 0.50 -4.94 2.29 4.64 -1.84 -3.45 113.55 117.19 2x4o h SER 88 Ca -0.42 -0.19 -0.18 0.00 -0.47 0.00 0.00 61.79 60.53 2x4o h SER 88 Cb 1.16 -0.14 -0.16 0.00 -0.31 0.00 0.00 62.40 62.96 2x4o h SER 88 CO 0.72 0.80 -0.69 0.00 -0.87 0.00 0.00 176.83 176.79 2x4o s GLN 89 N -4.34 0.65 0.46 4.77 -2.07 -1.26 -5.13 119.66 112.74 2x4o s GLN 89 Ca -0.07 -1.15 -0.24 0.00 -1.82 0.00 0.00 55.36 52.07 2x4o s GLN 89 Cb 0.13 0.01 -0.07 0.00 -1.09 0.00 0.00 33.01 31.98 2x4o s GLN 89 CO 0.80 -0.06 1.35 -2.14 -1.32 0.00 0.00 175.29 173.92 2x4o s PRO 90 N -3.42 3.65 -0.15 9.60 0.02 -1.26 -4.91 135.00 138.53 2x4o s PRO 90 Ca 0.05 2.23 -0.08 0.00 0.02 0.00 0.00 61.00 63.22 2x4o s PRO 90 Cb 0.03 -2.57 -0.04 0.00 0.02 0.00 0.00 34.50 31.94 2x4o s PRO 90 CO -0.06 -0.78 0.12 0.21 -0.33 0.00 0.00 177.00 176.15 2x4o s LYS 91 N -2.52 3.75 -0.19 5.54 2.20 0.45 -4.91 119.74 124.06 2x4o s LYS 91 Ca 0.62 -0.21 -0.03 0.00 -0.36 0.00 0.00 55.97 55.99 2x4o s LYS 91 Cb -0.40 -3.25 -0.02 0.00 -1.51 0.00 0.00 37.83 32.66 2x4o s LYS 91 CO 0.50 0.54 -0.05 0.42 -0.36 0.00 0.00 175.35 176.40 2x4o s ILE 92 N -0.34 3.53 -0.17 5.43 -1.09 -1.26 -0.10 121.20 127.20 2x4o s ILE 92 Ca 0.11 -0.46 0.01 0.00 -2.23 0.00 0.00 60.65 58.08 2x4o s ILE 92 Cb -0.12 -2.58 0.01 0.00 -1.58 0.00 0.00 42.46 38.20 2x4o s ILE 92 CO 0.01 0.45 -0.19 -0.69 -1.23 0.00 0.00 174.94 173.30 2x4o s VAL 93 N 1.00 2.22 0.38 2.92 1.01 0.09 -4.96 120.40 123.06 2x4o s VAL 93 Ca 0.00 -0.90 -0.25 0.00 0.00 0.00 0.00 61.98 60.84 2x4o s VAL 93 Cb -0.15 -1.93 -0.09 0.00 0.00 0.00 0.00 36.38 34.22 2x4o s VAL 93 CO 0.01 0.53 1.06 -0.54 0.00 0.00 0.00 175.10 176.16 2x4o s LYS 94 N 1.14 4.23 -0.18 2.72 1.02 -1.26 -0.44 119.74 126.96 2x4o s LYS 94 Ca 0.01 1.57 -0.29 0.00 0.02 0.00 0.00 55.97 57.27 2x4o s LYS 94 Cb -0.14 -2.64 -0.03 0.00 -0.52 0.00 0.00 37.83 34.50 2x4o s LYS 94 CO -0.08 -0.10 1.55 -0.46 -0.92 0.00 0.00 175.35 175.34 2x4o s TRP 95 N -1.57 2.23 -0.70 3.18 -0.00 0.85 -4.86 118.94 118.07 2x4o s TRP 95 Ca 0.56 0.56 -0.17 0.00 -0.00 0.00 0.00 56.10 57.05 2x4o s TRP 95 Cb -0.24 -3.88 0.15 0.00 -0.00 0.00 0.00 33.47 29.50 2x4o s TRP 95 CO 0.30 -2.87 0.74 0.34 -0.00 0.00 0.00 176.95 175.46 2x4o s ASP 96 N 3.56 6.42 0.16 5.86 -1.08 -1.26 -4.77 116.67 125.56 2x4o s ASP 96 Ca 0.68 -1.97 0.20 0.00 -0.52 0.00 0.00 52.55 50.93 2x4o s ASP 96 Cb -0.26 -2.27 0.83 0.00 -1.46 0.00 0.00 42.92 39.77 2x4o s ASP 96 CO 0.26 -0.89 1.60 -2.11 0.52 0.00 0.00 175.17 174.55 2x4o n ARG 97 N 5.41 0.12 0.00 4.34 -4.01 -1.26 -4.34 116.66 116.92 2x4o n ARG 97 Ca 0.01 0.37 0.00 0.00 -1.04 0.00 0.00 57.85 57.19 2x4o n ARG 97 Cb 0.44 -1.73 0.00 0.00 -3.04 0.00 0.00 32.46 28.13 2x4o n ARG 97 CO 0.00 0.00 0.00 -0.25 -3.04 0.00 0.00 177.63 174.34 2x4o n ASP 98 N -1.96 0.00 0.00 2.89 8.00 -1.26 -4.77 116.55 119.46 2x4o n ASP 98 Ca 0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.52 2x4o n ASP 98 Cb 0.19 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.29 2x4o n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04