#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2guo n ILE 1 N 0.00 0.04 -4.16 2.02 5.41 -1.26 -5.02 119.36 116.38 2guo n ILE 1 Ca 0.00 -0.01 -0.18 0.00 1.00 0.00 0.00 62.75 63.56 2guo n ILE 1 Cb 0.00 -1.49 -0.15 0.00 -0.71 0.00 0.00 39.64 37.28 2guo n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2guo s GLN 2 N 1.08 0.62 -0.06 0.38 -0.21 -1.26 -4.45 119.66 115.75 2guo s GLN 2 Ca 0.80 -0.14 0.03 0.00 0.02 0.00 0.00 55.36 56.07 2guo s GLN 2 Cb -0.71 -0.63 0.01 0.00 1.00 0.00 0.00 33.01 32.68 2guo s GLN 2 CO 0.40 0.01 -0.13 1.03 -2.12 0.00 0.00 175.29 174.48 2guo s ARG 3 N 0.43 1.74 0.20 2.91 0.52 -0.23 -4.92 118.95 119.59 2guo s ARG 3 Ca -0.05 -0.45 -0.30 0.00 -0.52 0.00 0.00 55.73 54.41 2guo s ARG 3 Cb -0.09 -1.44 -0.08 0.00 0.52 0.00 0.00 34.95 33.86 2guo s ARG 3 CO -0.00 0.06 1.10 0.99 0.02 0.00 0.00 175.30 177.47 2guo s THR 4 N 0.56 3.79 0.27 0.02 2.01 -1.26 -1.92 115.64 119.12 2guo s THR 4 Ca -0.13 1.59 -0.30 0.00 0.31 0.00 0.00 61.69 63.16 2guo s THR 4 Cb -0.15 -4.01 -0.11 0.00 0.01 0.00 0.00 72.50 68.24 2guo s THR 4 CO 0.04 0.29 1.54 -2.16 -0.69 0.00 0.00 174.62 173.64 2guo s PRO 5 N -0.56 4.18 -0.23 4.92 0.04 -1.26 -4.31 135.00 137.77 2guo s PRO 5 Ca 0.48 2.46 -0.16 0.00 0.04 0.00 0.00 61.00 63.83 2guo s PRO 5 Cb -0.30 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.14 2guo s PRO 5 CO 0.36 -0.55 0.43 0.15 0.04 0.00 0.00 177.00 177.43 2guo s LYS 6 N -0.32 4.11 -0.13 4.56 3.01 0.94 -4.89 119.74 127.01 2guo s LYS 6 Ca 0.62 0.21 -0.01 0.00 -1.01 0.00 0.00 55.97 55.79 2guo s LYS 6 Cb -0.45 -3.60 -0.02 0.00 -1.01 0.00 0.00 37.83 32.75 2guo s LYS 6 CO 0.45 -0.19 -0.11 0.42 0.51 0.00 0.00 175.35 176.42 2guo s ILE 7 N 1.79 3.20 -0.05 2.17 1.01 -1.26 -1.26 121.20 126.80 2guo s ILE 7 Ca 0.19 -0.61 0.02 0.00 0.00 0.00 0.00 60.65 60.25 2guo s ILE 7 Cb -0.15 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 39.98 2guo s ILE 7 CO 0.09 0.52 -0.10 -1.10 0.00 0.00 0.00 174.94 174.35 2guo s GLN 8 N 0.31 1.34 -0.13 2.79 -0.21 -0.38 -4.99 119.66 118.39 2guo s GLN 8 Ca -0.09 -0.31 0.02 0.00 0.02 0.00 0.00 55.36 55.00 2guo s GLN 8 Cb -0.15 -1.17 0.00 0.00 1.00 0.00 0.00 33.01 32.69 2guo s GLN 8 CO 0.05 0.02 -0.20 0.08 -2.12 0.00 0.00 175.29 173.12 2guo s VAL 9 N 0.64 2.31 0.10 1.09 1.01 -1.26 -0.73 120.40 123.56 2guo s VAL 9 Ca -0.12 -0.91 -0.26 0.00 0.00 0.00 0.00 61.98 60.70 2guo s VAL 9 Cb -0.14 -1.93 0.08 0.00 0.00 0.00 0.00 36.38 34.38 2guo s VAL 9 CO 0.02 0.54 0.81 -0.72 0.00 0.00 0.00 175.10 175.75 2guo s TYR 10 N 0.63 -0.33 0.15 5.22 1.13 -0.72 -4.59 117.35 118.83 2guo s TYR 10 Ca -0.11 0.11 -0.03 0.00 -1.41 0.00 0.00 57.07 55.64 2guo s TYR 10 Cb -0.16 0.58 -0.05 0.00 -1.10 0.00 0.00 41.96 41.23 2guo s TYR 10 CO 0.03 -0.76 0.35 -1.54 -2.51 0.00 0.00 175.55 171.12 2guo s SER 11 N -2.70 6.43 0.17 -0.18 1.04 -1.26 0.05 113.70 117.26 2guo s SER 11 Ca 0.06 0.47 -0.14 0.00 0.48 0.00 0.00 55.95 56.82 2guo s SER 11 Cb -0.02 -2.04 0.06 0.00 0.10 0.00 0.00 66.02 64.12 2guo s SER 11 CO -0.06 0.04 1.84 -0.09 0.98 0.00 0.00 173.24 175.94 2guo h ARG 12 N 2.59 0.69 -6.28 4.02 2.43 -1.38 -3.44 114.38 113.00 2guo h ARG 12 Ca -0.46 -0.04 -0.61 0.00 -0.81 0.00 0.00 59.98 58.06 2guo h ARG 12 Cb 1.17 -0.15 -0.14 0.00 -0.42 0.00 0.00 29.97 30.43 2guo h ARG 12 CO 0.72 0.46 -0.74 -1.01 -1.51 0.00 0.00 179.97 177.88 2guo s HIS 13 N -6.14 2.40 0.14 2.20 3.76 -1.26 -5.05 115.29 111.34 2guo s HIS 13 Ca -0.13 -0.30 -0.35 0.00 -0.15 0.00 0.00 55.06 54.13 2guo s HIS 13 Cb 0.12 -1.07 -0.15 0.00 1.11 0.00 0.00 32.58 32.59 2guo s HIS 13 CO 0.74 0.66 1.44 -2.30 -0.85 0.00 0.00 174.74 174.42 2guo n PRO 14 N -0.52 1.65 -3.19 8.40 -0.02 -1.26 -4.91 135.00 135.15 2guo n PRO 14 Ca -0.07 0.60 -0.38 0.00 -2.02 0.00 0.00 63.50 61.62 2guo n PRO 14 Cb 0.59 -2.28 -0.06 0.00 -0.02 0.00 0.00 33.50 31.73 2guo n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2guo s ALA 15 N 0.58 3.54 -0.05 3.55 0.00 -1.26 -5.05 121.76 123.08 2guo s ALA 15 Ca 0.80 0.12 -0.02 0.00 0.00 0.00 0.00 51.96 52.86 2guo s ALA 15 Cb -0.80 -2.73 0.04 0.00 0.00 0.00 0.00 23.12 19.63 2guo s ALA 15 CO 0.43 0.37 0.09 -2.00 0.00 0.00 0.00 175.76 174.65 2guo s GLU 16 N -1.25 -0.01 0.13 0.00 2.12 -1.26 -5.12 118.70 113.31 2guo s GLU 16 Ca 0.32 0.35 -0.34 0.00 0.36 0.00 0.00 54.97 55.66 2guo s GLU 16 Cb -0.20 -0.31 -0.14 0.00 0.26 0.00 0.00 34.13 33.74 2guo s GLU 16 CO 0.21 -0.24 1.61 0.09 -0.54 0.00 0.00 175.26 176.39 2guo n ASN 17 N 4.71 3.10 0.00 -1.70 3.02 -1.26 -1.89 115.26 121.25 2guo n ASN 17 Ca -0.16 1.07 0.00 0.00 -0.03 0.00 0.00 54.58 55.46 2guo n ASN 17 Cb 0.50 -1.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.26 2guo n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2guo n GLY 18 N 3.52 0.87 3.24 7.41 0.00 -0.19 -5.00 105.19 115.03 2guo n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 2guo n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2guo s LYS 19 N -0.47 3.16 0.54 1.61 2.20 -0.79 -4.98 119.74 121.01 2guo s LYS 19 Ca 0.00 -0.75 -0.22 0.00 -0.36 0.00 0.00 55.97 54.64 2guo s LYS 19 Cb 0.00 -2.89 -0.06 0.00 -1.51 0.00 0.00 37.83 33.38 2guo s LYS 19 CO 0.00 -0.24 1.25 -1.13 -0.36 0.00 0.00 175.35 174.87 2guo n SER 20 N 4.72 2.21 -1.14 1.43 3.41 -1.26 -4.37 113.62 118.63 2guo n SER 20 Ca -0.19 0.96 -0.01 0.00 -0.26 0.00 0.00 58.87 59.37 2guo n SER 20 Cb 0.50 -1.52 0.00 0.00 -0.26 0.00 0.00 64.21 62.93 2guo n SER 20 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2guo n ASN 21 N -0.77 -0.17 -3.99 4.04 2.85 0.58 -4.99 115.26 112.80 2guo n ASN 21 Ca 0.11 -1.13 -0.20 0.00 -0.11 0.00 0.00 54.58 53.25 2guo n ASN 21 Cb 0.44 0.29 -0.15 0.00 1.24 0.00 0.00 39.78 41.60 2guo n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2guo s PHE 22 N -8.04 0.88 -0.24 1.20 0.40 -1.26 -1.10 117.98 109.82 2guo s PHE 22 Ca 0.01 -0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.03 2guo s PHE 22 Cb -0.00 -0.64 -0.05 0.00 0.51 0.00 0.00 43.02 42.84 2guo s PHE 22 CO 0.01 -0.09 0.15 -1.17 0.70 0.00 0.00 175.22 174.81 2guo s LEU 23 N 0.20 4.02 -0.00 -0.37 2.96 0.77 -0.85 118.68 125.41 2guo s LEU 23 Ca -0.03 0.07 0.05 0.00 -0.22 0.00 0.00 54.13 54.00 2guo s LEU 23 Cb -0.08 -2.08 -0.03 0.00 0.50 0.00 0.00 46.19 44.50 2guo s LEU 23 CO 0.00 0.05 -0.14 0.20 -1.32 0.00 0.00 176.35 175.15 2guo s ASN 24 N 1.13 4.08 -0.19 3.68 0.01 0.11 -1.87 114.94 121.88 2guo s ASN 24 Ca 0.07 -0.27 0.00 0.00 -0.71 0.00 0.00 52.86 51.95 2guo s ASN 24 Cb -0.14 -0.81 0.04 0.00 0.41 0.00 0.00 41.25 40.76 2guo s ASN 24 CO 0.05 0.29 -0.08 0.00 -1.51 0.00 0.00 177.10 175.86 2guo s TYR 26 N 1.48 3.11 -0.15 0.00 5.04 0.09 -0.58 117.35 126.33 2guo s TYR 26 Ca -0.01 -0.30 0.01 0.00 -2.44 0.00 0.00 57.07 54.33 2guo s TYR 26 Cb -0.16 -2.14 0.01 0.00 0.35 0.00 0.00 41.96 40.02 2guo s TYR 26 CO -0.08 -0.18 -0.18 0.14 -1.34 0.00 0.00 175.55 173.91 2guo s VAL 27 N 1.06 2.34 0.19 3.14 -7.23 -0.13 -1.24 120.40 118.52 2guo s VAL 27 Ca 0.03 -0.88 0.01 0.00 -1.81 0.00 0.00 61.98 59.34 2guo s VAL 27 Cb -0.14 -1.97 -0.05 0.00 0.56 0.00 0.00 36.38 34.78 2guo s VAL 27 CO 0.03 0.53 0.04 -0.94 -0.31 0.00 0.00 175.10 174.45 2guo s SER 28 N 0.92 0.99 0.00 4.85 1.04 -0.38 -1.42 113.70 119.69 2guo s SER 28 Ca -0.04 -1.25 0.00 0.00 0.48 0.00 0.00 55.95 55.14 2guo s SER 28 Cb -0.15 0.18 0.00 0.00 0.10 0.00 0.00 66.02 66.15 2guo s SER 28 CO -0.03 -0.66 0.00 0.61 0.98 0.00 0.00 173.24 174.14 2guo n GLY 29 N -0.28 0.46 3.91 7.32 0.00 0.43 -0.04 105.19 116.99 2guo n GLY 29 Ca -0.04 -0.68 -0.21 0.00 0.00 0.00 0.00 46.02 45.09 2guo n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2guo s PHE 30 N -2.00 3.20 -0.28 1.61 -0.71 -1.14 -4.27 117.98 114.40 2guo s PHE 30 Ca 0.00 -0.12 -0.21 0.00 -1.04 0.00 0.00 56.93 55.55 2guo s PHE 30 Cb 0.00 -1.62 0.10 0.00 -1.21 0.00 0.00 43.02 40.29 2guo s PHE 30 CO 0.00 0.35 0.85 -1.58 -1.34 0.00 0.00 175.22 173.50 2guo s HIS 31 N -2.11 -0.73 0.46 3.49 2.46 -0.81 -0.13 115.29 117.93 2guo s HIS 31 Ca 0.37 1.62 -0.08 0.00 0.47 0.00 0.00 55.06 57.44 2guo s HIS 31 Cb -0.08 0.40 0.11 0.00 -0.13 0.00 0.00 32.58 32.88 2guo s HIS 31 CO 0.28 -0.36 0.54 -0.35 -2.47 0.00 0.00 174.74 172.38 2guo n PRO 32 N 3.14 -1.08 0.02 2.88 -0.04 -1.26 -1.07 135.00 137.59 2guo n PRO 32 Ca -0.16 -0.84 0.13 0.00 -0.04 0.00 0.00 63.50 62.59 2guo n PRO 32 Cb 0.57 -0.63 0.35 0.00 -0.04 0.00 0.00 33.50 33.75 2guo n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2guo n SER 33 N -3.53 0.41 -4.68 3.54 3.41 -1.26 -4.79 113.62 106.71 2guo n SER 33 Ca 0.07 0.09 -0.42 0.00 -0.26 0.00 0.00 58.87 58.34 2guo n SER 33 Cb 0.25 -0.05 -0.03 0.00 -0.26 0.00 0.00 64.21 64.12 2guo n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2guo s ASP 34 N -3.32 6.96 -0.03 4.04 -0.00 -1.26 -4.98 116.67 118.09 2guo s ASP 34 Ca 0.11 1.86 -0.18 0.00 -0.00 0.00 0.00 52.55 54.34 2guo s ASP 34 Cb 0.17 -2.55 0.03 0.00 -0.00 0.00 0.00 42.92 40.57 2guo s ASP 34 CO 0.65 -0.68 0.39 -0.51 -0.00 0.00 0.00 175.17 175.01 2guo s ILE 35 N 2.73 0.04 -0.12 0.77 2.07 -1.26 -4.63 121.20 120.79 2guo s ILE 35 Ca 0.58 -0.35 0.03 0.00 -1.41 0.00 0.00 60.65 59.49 2guo s ILE 35 Cb -0.26 -0.68 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2guo s ILE 35 CO 0.21 -0.20 -0.22 -1.61 -1.91 0.00 0.00 174.94 171.21 2guo s GLU 36 N -1.20 3.06 -0.08 3.50 2.02 -0.46 -5.00 118.70 120.55 2guo s GLU 36 Ca -0.12 -0.85 -0.01 0.00 0.02 0.00 0.00 54.97 54.01 2guo s GLU 36 Cb -0.04 -2.39 0.03 0.00 0.10 0.00 0.00 34.13 31.83 2guo s GLU 36 CO 0.05 0.09 -0.03 0.08 0.02 0.00 0.00 175.26 175.47 2guo s VAL 37 N 0.57 0.60 0.04 2.63 1.01 -1.26 -0.57 120.40 123.41 2guo s VAL 37 Ca -0.13 -0.05 0.09 0.00 0.00 0.00 0.00 61.98 61.90 2guo s VAL 37 Cb -0.17 -0.69 -0.03 0.00 0.00 0.00 0.00 36.38 35.50 2guo s VAL 37 CO 0.04 0.29 -0.26 -1.81 0.00 0.00 0.00 175.10 173.35 2guo s ASP 38 N 1.68 3.09 -0.06 3.32 -0.00 0.29 -4.97 116.67 120.02 2guo s ASP 38 Ca 0.02 -0.57 -0.14 0.00 -0.00 0.00 0.00 52.55 51.85 2guo s ASP 38 Cb -0.13 -0.29 -0.05 0.00 -0.00 0.00 0.00 42.92 42.45 2guo s ASP 38 CO -0.05 0.26 0.37 -0.76 -0.00 0.00 0.00 175.17 174.99 2guo s LEU 39 N -1.16 4.39 0.03 1.23 1.43 -1.26 -0.22 118.68 123.12 2guo s LEU 39 Ca 0.11 0.80 0.08 0.00 -1.03 0.00 0.00 54.13 54.09 2guo s LEU 39 Cb -0.10 -2.51 -0.03 0.00 0.03 0.00 0.00 46.19 43.58 2guo s LEU 39 CO 0.02 0.24 -0.23 -0.76 0.23 0.00 0.00 176.35 175.84 2guo s LEU 40 N -0.50 2.32 -0.18 1.79 1.43 0.13 -0.64 118.68 123.03 2guo s LEU 40 Ca 0.22 -0.50 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 2guo s LEU 40 Cb -0.15 -1.38 0.04 0.00 0.03 0.00 0.00 46.19 44.73 2guo s LEU 40 CO 0.10 0.27 -0.08 -0.75 0.23 0.00 0.00 176.35 176.12 2guo s LYS 41 N -1.19 1.77 -1.61 1.70 2.20 -0.06 -2.02 119.74 120.53 2guo s LYS 41 Ca 0.12 -0.67 -0.14 0.00 -0.36 0.00 0.00 55.97 54.93 2guo s LYS 41 Cb -0.10 -2.20 0.11 0.00 -1.51 0.00 0.00 37.83 34.13 2guo s LYS 41 CO 0.03 -0.41 0.74 0.09 -0.36 0.00 0.00 175.35 175.43 2guo n ASN 42 N 4.78 -2.90 0.00 1.43 3.02 0.81 -1.29 115.26 121.11 2guo n ASN 42 Ca -0.14 -0.97 0.00 0.00 -0.03 0.00 0.00 54.58 53.44 2guo n ASN 42 Cb 0.47 -3.02 0.00 0.00 -0.61 0.00 0.00 39.78 36.62 2guo n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2guo n GLY 43 N -1.58 1.73 3.87 7.41 0.00 -1.26 -5.03 105.19 110.33 2guo n GLY 43 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.63 2guo n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2guo s GLU 44 N -0.02 3.45 0.13 1.61 2.02 -0.41 -4.99 118.70 120.48 2guo s GLU 44 Ca 0.00 -0.14 -0.31 0.00 0.02 0.00 0.00 54.97 54.54 2guo s GLU 44 Cb 0.00 -3.19 -0.10 0.00 0.10 0.00 0.00 34.13 30.94 2guo s GLU 44 CO 0.00 0.77 1.76 0.50 0.02 0.00 0.00 175.26 178.30 2guo s ARG 45 N -0.99 4.15 -0.19 1.61 3.52 -1.26 -0.89 118.95 124.91 2guo s ARG 45 Ca 0.15 2.53 -0.28 0.00 -0.13 0.00 0.00 55.73 58.00 2guo s ARG 45 Cb -0.12 -3.48 -0.00 0.00 -1.56 0.00 0.00 34.95 29.79 2guo s ARG 45 CO 0.04 -0.79 0.96 0.42 -0.81 0.00 0.00 175.30 175.12 2guo s ILE 46 N 2.36 4.77 -0.02 4.11 1.01 0.18 -4.89 121.20 128.72 2guo s ILE 46 Ca 0.78 1.89 0.11 0.00 0.00 0.00 0.00 60.65 63.43 2guo s ILE 46 Cb -0.45 -4.25 -0.09 0.00 0.01 0.00 0.00 42.46 37.68 2guo s ILE 46 CO 0.34 -0.07 1.30 -0.33 0.00 0.00 0.00 174.94 176.18 2guo h GLU 47 N 7.36 0.00 -3.14 2.79 5.08 -1.93 -3.37 114.58 121.37 2guo h GLU 47 Ca -0.25 0.00 -0.75 0.00 -1.00 0.00 0.00 59.36 57.36 2guo h GLU 47 Cb 1.10 0.00 -0.14 0.00 0.50 0.00 0.00 28.75 30.22 2guo h GLU 47 CO 0.90 0.72 2.25 0.36 -1.00 0.00 0.00 179.01 182.24 2guo n LYS 48 N -3.25 4.00 -4.73 2.33 0.00 -1.26 -4.93 118.16 110.32 2guo n LYS 48 Ca -0.00 -3.45 -0.33 0.00 -0.00 0.00 0.00 58.31 54.52 2guo n LYS 48 Cb 0.85 -2.81 -0.12 0.00 -0.00 0.00 0.00 35.03 32.95 2guo n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2guo s VAL 49 N -0.15 3.42 0.25 0.58 1.01 -1.26 -4.69 120.40 119.57 2guo s VAL 49 Ca 0.46 -0.58 0.09 0.00 0.00 0.00 0.00 61.98 61.95 2guo s VAL 49 Cb 0.13 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 2guo s VAL 49 CO -0.04 0.58 0.03 -1.61 0.00 0.00 0.00 175.10 174.07 2guo s GLU 50 N -0.62 2.42 0.05 2.72 2.02 -0.49 -4.94 118.70 119.87 2guo s GLU 50 Ca 0.09 -1.31 -0.01 0.00 0.02 0.00 0.00 54.97 53.76 2guo s GLU 50 Cb -0.11 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.82 2guo s GLU 50 CO 0.02 0.38 -0.03 -3.38 0.02 0.00 0.00 175.26 172.27 2guo s HIS 51 N -2.21 0.53 0.81 1.61 -3.43 -1.26 -0.90 115.29 110.45 2guo s HIS 51 Ca 0.31 -1.07 -0.12 0.00 -0.80 0.00 0.00 55.06 53.38 2guo s HIS 51 Cb -0.07 -0.39 0.08 0.00 -1.43 0.00 0.00 32.58 30.76 2guo s HIS 51 CO 0.21 -0.38 1.12 -1.54 -2.00 0.00 0.00 174.74 172.15 2guo s SER 52 N -2.92 4.41 0.18 7.38 1.04 0.17 -4.99 113.70 118.95 2guo s SER 52 Ca 0.07 1.11 -0.30 0.00 0.48 0.00 0.00 55.95 57.32 2guo s SER 52 Cb 0.08 -1.78 -0.08 0.00 0.10 0.00 0.00 66.02 64.34 2guo s SER 52 CO -0.10 -2.00 1.10 -1.81 0.98 0.00 0.00 173.24 171.41 2guo s ASP 53 N -4.11 7.27 0.11 7.02 -0.00 -1.26 -4.77 116.67 120.92 2guo s ASP 53 Ca 0.61 2.08 -0.34 0.00 -0.00 0.00 0.00 52.55 54.90 2guo s ASP 53 Cb -0.13 -2.60 -0.14 0.00 -0.00 0.00 0.00 42.92 40.04 2guo s ASP 53 CO 0.53 -0.22 1.60 -0.11 -0.00 0.00 0.00 175.17 176.97 2guo n LEU 54 N 2.38 2.98 0.00 1.23 7.94 -1.26 -4.93 117.00 125.33 2guo n LEU 54 Ca 0.03 1.07 -0.17 0.00 -1.11 0.00 0.00 56.01 55.83 2guo n LEU 54 Cb 0.46 -1.39 -0.05 0.00 0.53 0.00 0.00 43.42 42.97 2guo n LEU 54 CO 0.54 -0.34 0.06 -0.24 -1.11 0.00 0.00 177.39 176.30 2guo n SER 55 N 3.86 -1.11 -3.79 1.96 2.88 -1.23 -5.06 113.62 111.12 2guo n SER 55 Ca 0.18 -3.04 -0.09 0.00 -1.33 0.00 0.00 58.87 54.59 2guo n SER 55 Cb 0.27 2.22 -0.06 0.00 -0.75 0.00 0.00 64.21 65.90 2guo n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 2guo s PHE 56 N -3.07 0.06 0.54 0.66 -0.12 -1.26 -2.03 117.98 112.75 2guo s PHE 56 Ca 0.34 -0.44 0.02 0.00 -0.05 0.00 0.00 56.93 56.79 2guo s PHE 56 Cb 0.00 0.07 0.10 0.00 -0.63 0.00 0.00 43.02 42.56 2guo s PHE 56 CO 0.24 -0.64 0.74 0.43 -0.05 0.00 0.00 175.22 175.94 2guo n SER 57 N -0.15 1.19 0.29 1.98 7.64 -0.42 -4.93 113.62 119.23 2guo n SER 57 Ca -0.14 -1.96 0.18 0.00 1.01 0.00 0.00 58.87 57.96 2guo n SER 57 Cb 0.63 -0.46 0.83 0.00 -1.01 0.00 0.00 64.21 64.20 2guo n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2guo h LYS 58 N 0.00 0.00 -0.62 1.43 1.57 -2.02 0.42 116.57 117.35 2guo h LYS 58 Ca -0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.53 2guo h LYS 58 Cb 0.95 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.26 2guo h LYS 58 CO 0.28 0.04 0.00 -0.40 -0.57 0.00 0.00 179.45 178.80 2guo n ASP 59 N -3.21 3.55 0.00 0.86 5.75 -1.26 -4.92 116.55 117.32 2guo n ASP 59 Ca -0.01 -2.15 0.00 0.00 -0.01 0.00 0.00 54.79 52.62 2guo n ASP 59 Cb 0.23 -0.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.87 2guo n ASP 59 CO 0.00 0.00 0.00 0.79 -0.11 0.00 0.00 177.20 177.88 2guo n TRP 60 N 1.11 0.00 -2.80 2.11 7.02 0.14 -5.02 117.44 119.99 2guo n TRP 60 Ca 0.21 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.34 2guo n TRP 60 Cb 0.61 -0.16 -0.07 0.00 -2.42 0.00 0.00 31.31 29.28 2guo n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2guo s SER 61 N -2.94 7.06 0.50 -0.99 1.04 -1.26 -4.68 113.70 112.42 2guo s SER 61 Ca 0.00 1.74 -0.11 0.00 0.48 0.00 0.00 55.95 58.06 2guo s SER 61 Cb 0.00 -2.55 -0.06 0.00 0.10 0.00 0.00 66.02 63.51 2guo s SER 61 CO 0.00 -0.27 0.89 -0.36 0.98 0.00 0.00 173.24 174.48 2guo s PHE 62 N -2.00 3.52 0.02 5.02 0.08 0.82 -1.30 117.98 124.14 2guo s PHE 62 Ca 0.58 1.18 -0.03 0.00 0.12 0.00 0.00 56.93 58.77 2guo s PHE 62 Cb -0.12 -2.58 -0.01 0.00 -0.57 0.00 0.00 43.02 39.74 2guo s PHE 62 CO 0.17 -0.34 0.04 1.52 -0.10 0.00 0.00 175.22 176.51 2guo s TYR 63 N -2.68 0.21 -0.10 0.36 -0.85 -0.86 -0.42 117.35 113.00 2guo s TYR 63 Ca 0.53 -0.46 -0.15 0.00 -0.52 0.00 0.00 57.07 56.48 2guo s TYR 63 Cb -0.10 -0.16 0.03 0.00 0.38 0.00 0.00 41.96 42.11 2guo s TYR 63 CO 0.39 -0.27 0.38 -0.51 -1.52 0.00 0.00 175.55 174.01 2guo s LEU 64 N -1.71 0.57 -0.19 -3.49 1.43 -0.51 -3.50 118.68 111.27 2guo s LEU 64 Ca -0.11 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.53 2guo s LEU 64 Cb -0.06 1.37 0.00 0.00 0.03 0.00 0.00 46.19 47.54 2guo s LEU 64 CO -0.02 -0.26 -0.12 -0.22 0.23 0.00 0.00 176.35 175.96 2guo s LEU 65 N -0.36 2.55 -0.05 1.79 2.96 -1.26 -0.96 118.68 123.34 2guo s LEU 65 Ca -0.05 -0.49 -0.02 0.00 -0.22 0.00 0.00 54.13 53.34 2guo s LEU 65 Cb -0.03 -1.61 -0.04 0.00 0.50 0.00 0.00 46.19 45.01 2guo s LEU 65 CO 0.02 0.01 0.08 -0.31 -1.32 0.00 0.00 176.35 174.83 2guo s TYR 66 N 1.24 3.34 -0.02 5.38 2.02 0.25 -0.66 117.35 128.90 2guo s TYR 66 Ca 0.03 0.29 -0.21 0.00 -0.37 0.00 0.00 57.07 56.81 2guo s TYR 66 Cb -0.14 -1.80 0.04 0.00 -0.40 0.00 0.00 41.96 39.66 2guo s TYR 66 CO -0.06 0.58 0.45 1.52 -1.57 0.00 0.00 175.55 176.47 2guo s TYR 67 N -1.08 -0.36 -0.00 2.71 -0.85 -0.07 -0.75 117.35 116.95 2guo s TYR 67 Ca 0.19 0.57 -0.13 0.00 -0.52 0.00 0.00 57.07 57.18 2guo s TYR 67 Cb -0.12 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.46 2guo s TYR 67 CO 0.09 -0.48 0.27 -0.08 -1.52 0.00 0.00 175.55 173.82 2guo s THR 68 N -1.37 0.07 0.24 -3.49 -1.32 -0.78 -1.39 115.64 107.59 2guo s THR 68 Ca -0.12 -0.57 -0.30 0.00 -1.21 0.00 0.00 61.69 59.50 2guo s THR 68 Cb -0.03 -0.63 -0.09 0.00 -1.51 0.00 0.00 72.50 70.24 2guo s THR 68 CO 0.06 -0.31 1.15 -0.70 -2.21 0.00 0.00 174.62 172.61 2guo s GLU 69 N -1.55 4.56 0.11 7.08 2.12 -1.26 -0.16 118.70 129.59 2guo s GLU 69 Ca -0.12 1.86 -0.13 0.00 0.36 0.00 0.00 54.97 56.93 2guo s GLU 69 Cb -0.05 -3.21 0.02 0.00 0.26 0.00 0.00 34.13 31.16 2guo s GLU 69 CO 0.02 0.05 0.32 -0.59 -0.54 0.00 0.00 175.26 174.53 2guo s PHE 70 N -0.66 -0.08 -0.28 5.30 -0.71 -0.26 -4.84 117.98 116.46 2guo s PHE 70 Ca 0.48 -0.28 0.02 0.00 -1.04 0.00 0.00 56.93 56.11 2guo s PHE 70 Cb -0.33 0.14 0.08 0.00 -1.21 0.00 0.00 43.02 41.71 2guo s PHE 70 CO 0.40 -0.64 -0.00 0.99 -1.34 0.00 0.00 175.22 174.62 2guo s THR 71 N -3.80 1.67 0.35 -4.49 2.01 -1.26 -0.31 115.64 109.82 2guo s THR 71 Ca 0.03 -1.59 -0.28 0.00 0.31 0.00 0.00 61.69 60.16 2guo s THR 71 Cb 0.03 -2.06 -0.12 0.00 0.01 0.00 0.00 72.50 70.37 2guo s THR 71 CO -0.12 -0.33 1.40 -2.65 -0.69 0.00 0.00 174.62 172.24 2guo n PRO 72 N 4.57 2.41 -4.44 4.92 -0.02 -1.26 -4.79 135.00 136.38 2guo n PRO 72 Ca -0.06 0.84 -0.21 0.00 -2.02 0.00 0.00 63.50 62.05 2guo n PRO 72 Cb 0.43 -2.51 -0.10 0.00 -0.02 0.00 0.00 33.50 31.30 2guo n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2guo s THR 73 N -1.01 1.08 0.22 3.45 -4.23 -1.26 -1.02 115.64 112.86 2guo s THR 73 Ca 0.55 -2.00 -0.08 0.00 -1.18 0.00 0.00 61.69 58.98 2guo s THR 73 Cb -0.53 -2.74 0.17 0.00 1.34 0.00 0.00 72.50 70.74 2guo s THR 73 CO 0.62 0.00 1.83 -0.08 -0.54 0.00 0.00 174.62 176.45 2guo h GLU 74 N 2.12 0.79 0.04 3.99 4.57 -1.98 -3.34 114.58 120.77 2guo h GLU 74 Ca -0.40 -0.05 -0.30 0.00 -1.18 0.00 0.00 59.36 57.44 2guo h GLU 74 Cb 1.25 -0.18 -0.04 0.00 -0.16 0.00 0.00 28.75 29.62 2guo h GLU 74 CO 0.68 0.52 -1.65 1.57 -1.18 0.00 0.00 179.01 178.95 2guo h LYS 75 N 0.81 0.07 -6.51 1.92 2.10 -2.02 -3.47 116.57 109.48 2guo h LYS 75 Ca 0.33 -0.13 -0.53 0.00 -2.00 0.00 0.00 60.65 58.32 2guo h LYS 75 Cb 0.16 0.05 -0.01 0.00 -0.90 0.00 0.00 32.23 31.53 2guo h LYS 75 CO -0.17 0.74 0.40 -0.51 -2.00 0.00 0.00 179.45 177.91 2guo s ASP 76 N -6.42 7.38 -0.15 7.07 1.01 -1.25 -5.02 116.67 119.28 2guo s ASP 76 Ca -0.07 1.80 -0.06 0.00 0.71 0.00 0.00 52.55 54.92 2guo s ASP 76 Cb 0.08 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.39 2guo s ASP 76 CO 0.82 -0.20 0.07 -1.61 0.21 0.00 0.00 175.17 174.45 2guo s GLU 77 N 0.48 3.68 0.14 8.23 2.02 -1.26 -4.73 118.70 127.25 2guo s GLU 77 Ca 0.50 -0.31 0.11 0.00 0.02 0.00 0.00 54.97 55.29 2guo s GLU 77 Cb -0.24 -3.13 -0.04 0.00 0.10 0.00 0.00 34.13 30.82 2guo s GLU 77 CO 0.30 0.46 -0.24 0.71 0.02 0.00 0.00 175.26 176.51 2guo s TYR 78 N -0.17 2.36 0.19 1.61 2.02 -1.26 -0.13 117.35 121.97 2guo s TYR 78 Ca 0.08 -0.35 -0.17 0.00 -0.37 0.00 0.00 57.07 56.25 2guo s TYR 78 Cb -0.12 -1.25 0.03 0.00 -0.40 0.00 0.00 41.96 40.21 2guo s TYR 78 CO 0.01 0.37 0.52 0.00 -1.57 0.00 0.00 175.55 174.89 2guo s ALA 79 N -1.17 -0.94 -0.09 3.71 0.00 -0.86 -0.77 121.76 121.64 2guo s ALA 79 Ca 0.16 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.95 2guo s ALA 79 Cb -0.10 0.85 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 2guo s ALA 79 CO 0.08 -0.80 -0.24 0.00 0.00 0.00 0.00 175.76 174.79 2guo s ARG 81 N 0.19 3.31 -0.06 0.00 3.52 0.69 -1.04 118.95 125.56 2guo s ARG 81 Ca -0.14 -0.68 0.04 0.00 -0.13 0.00 0.00 55.73 54.81 2guo s ARG 81 Cb -0.17 -2.83 0.00 0.00 -1.56 0.00 0.00 34.95 30.40 2guo s ARG 81 CO 0.07 -0.09 -0.18 0.08 -0.81 0.00 0.00 175.30 174.37 2guo s VAL 82 N 1.15 1.52 0.12 7.11 1.01 -0.14 -0.54 120.40 130.63 2guo s VAL 82 Ca 0.01 -0.74 0.08 0.00 0.00 0.00 0.00 61.98 61.34 2guo s VAL 82 Cb -0.14 -1.32 -0.04 0.00 0.00 0.00 0.00 36.38 34.88 2guo s VAL 82 CO -0.03 0.44 -0.20 0.21 0.00 0.00 0.00 175.10 175.52 2guo s ASN 83 N 0.24 2.57 -0.06 3.32 2.47 0.26 -1.03 114.94 122.72 2guo s ASN 83 Ca -0.09 -0.73 -0.30 0.00 0.42 0.00 0.00 52.86 52.16 2guo s ASN 83 Cb -0.14 -0.14 0.11 0.00 -1.45 0.00 0.00 41.25 39.63 2guo s ASN 83 CO 0.04 0.03 0.94 -2.28 -3.72 0.00 0.00 177.10 172.11 2guo s HIS 84 N -1.40 -0.33 0.52 0.43 5.65 -1.26 -1.35 115.29 117.55 2guo s HIS 84 Ca 0.09 0.29 0.28 0.00 0.25 0.00 0.00 55.06 55.97 2guo s HIS 84 Cb -0.09 0.52 1.66 0.00 -1.18 0.00 0.00 32.58 33.49 2guo s HIS 84 CO 0.05 -0.47 2.18 -0.24 -0.65 0.00 0.00 174.74 175.61 2guo h VAL 85 N 2.12 0.56 -0.00 0.89 3.04 -1.95 -2.35 116.25 118.56 2guo h VAL 85 Ca -0.20 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2guo h VAL 85 Cb 1.22 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.64 2guo h VAL 85 CO 0.30 0.05 -0.01 0.35 -1.01 0.00 0.00 177.57 177.25 2guo n THR 86 N -3.78 0.00 -4.54 3.17 -2.24 -1.26 -4.74 114.28 100.88 2guo n THR 86 Ca -0.03 -0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.42 2guo n THR 86 Cb 0.14 -0.48 -0.13 0.00 -2.10 0.00 0.00 70.33 67.76 2guo n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2guo s LEU 87 N -2.60 3.01 0.43 3.22 1.43 -0.89 -5.00 118.68 118.29 2guo s LEU 87 Ca 0.27 -0.22 0.24 0.00 -1.03 0.00 0.00 54.13 53.39 2guo s LEU 87 Cb 0.20 -1.71 0.70 0.00 0.03 0.00 0.00 46.19 45.42 2guo s LEU 87 CO 0.47 0.16 1.73 0.77 0.23 0.00 0.00 176.35 179.71 2guo h SER 88 N 6.74 0.00 -5.10 2.29 4.64 -1.85 -3.43 113.55 116.84 2guo h SER 88 Ca -0.29 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.96 2guo h SER 88 Cb 1.20 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.15 2guo h SER 88 CO 0.60 0.17 -0.20 0.00 -0.87 0.00 0.00 176.83 176.53 2guo s GLN 89 N -3.41 0.95 0.29 4.77 -2.07 -1.26 -5.13 119.66 113.80 2guo s GLN 89 Ca 0.03 -0.77 -0.30 0.00 -1.82 0.00 0.00 55.36 52.50 2guo s GLN 89 Cb 0.08 0.41 -0.13 0.00 -1.09 0.00 0.00 33.01 32.28 2guo s GLN 89 CO 0.65 -0.34 1.34 -2.30 -1.32 0.00 0.00 175.29 173.31 2guo n PRO 90 N -0.07 2.04 -3.43 9.60 -0.02 -1.26 -4.94 135.00 136.93 2guo n PRO 90 Ca -0.16 0.72 -0.38 0.00 -2.02 0.00 0.00 63.50 61.67 2guo n PRO 90 Cb 0.63 -2.33 -0.07 0.00 -0.02 0.00 0.00 33.50 31.70 2guo n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2guo s LYS 91 N -1.08 4.21 -0.24 -0.52 2.47 -0.20 -4.89 119.74 119.49 2guo s LYS 91 Ca 0.62 0.18 -0.08 0.00 -1.56 0.00 0.00 55.97 55.13 2guo s LYS 91 Cb -0.62 -3.50 -0.04 0.00 -1.46 0.00 0.00 37.83 32.22 2guo s LYS 91 CO 0.55 0.05 0.10 0.42 0.16 0.00 0.00 175.35 176.63 2guo s ILE 92 N 1.03 4.66 -0.18 5.43 1.01 -1.26 -0.96 121.20 130.92 2guo s ILE 92 Ca 0.18 -0.06 -0.02 0.00 0.00 0.00 0.00 60.65 60.76 2guo s ILE 92 Cb -0.14 -3.17 -0.00 0.00 0.01 0.00 0.00 42.46 39.15 2guo s ILE 92 CO 0.07 0.35 -0.11 -0.69 0.00 0.00 0.00 174.94 174.56 2guo s VAL 93 N 1.33 2.98 0.22 2.92 1.01 -0.20 -4.96 120.40 123.70 2guo s VAL 93 Ca 0.06 -0.65 -0.29 0.00 0.00 0.00 0.00 61.98 61.10 2guo s VAL 93 Cb -0.15 -2.30 -0.09 0.00 0.00 0.00 0.00 36.38 33.84 2guo s VAL 93 CO 0.05 0.48 0.90 -0.54 0.00 0.00 0.00 175.10 175.99 2guo s LYS 94 N 1.07 4.79 0.07 2.72 1.02 -1.26 -0.95 119.74 127.19 2guo s LYS 94 Ca 0.00 1.41 -0.31 0.00 0.02 0.00 0.00 55.97 57.09 2guo s LYS 94 Cb -0.15 -3.28 -0.08 0.00 -0.52 0.00 0.00 37.83 33.80 2guo s LYS 94 CO -0.02 0.53 1.66 -0.46 -0.92 0.00 0.00 175.35 176.13 2guo s TRP 95 N -1.15 2.40 -0.27 3.18 -0.00 0.05 -4.88 118.94 118.27 2guo s TRP 95 Ca 0.40 0.31 0.03 0.00 -0.00 0.00 0.00 56.10 56.83 2guo s TRP 95 Cb -0.25 -3.97 0.06 0.00 -0.00 0.00 0.00 33.47 29.31 2guo s TRP 95 CO 0.31 -3.88 -0.09 0.34 -0.00 0.00 0.00 176.95 173.63 2guo s ASP 96 N 2.44 4.52 0.10 5.86 -1.08 -1.26 -4.75 116.67 122.50 2guo s ASP 96 Ca 0.74 -1.45 0.26 0.00 -0.52 0.00 0.00 52.55 51.57 2guo s ASP 96 Cb -0.40 -1.57 0.98 0.00 -1.46 0.00 0.00 42.92 40.47 2guo s ASP 96 CO 0.32 -0.21 1.79 -2.11 0.52 0.00 0.00 175.17 175.48 2guo n ARG 97 N 4.43 0.11 -0.98 4.34 1.85 -1.26 -3.57 116.66 121.59 2guo n ARG 97 Ca -0.12 0.15 -0.12 0.00 -1.00 0.00 0.00 57.85 56.76 2guo n ARG 97 Cb 0.42 -1.65 0.23 0.00 -1.05 0.00 0.00 32.46 30.41 2guo n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2guo n ASP 98 N -1.85 4.18 0.00 2.89 10.43 -1.26 -4.96 116.55 125.97 2guo n ASP 98 Ca 0.06 -3.21 0.16 0.00 2.57 0.00 0.00 54.79 54.37 2guo n ASP 98 Cb 0.34 -0.75 0.94 0.00 1.84 0.00 0.00 41.12 43.48 2guo n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36