#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 0.01 -4.26 1.12 5.41 -1.26 -5.02 119.36 115.36 2guo n ILE 1 Ca 0.00 -0.00 -0.19 0.00 1.00 0.00 0.00 62.75 63.56 2guo n ILE 1 Cb 0.00 -1.58 -0.15 0.00 -0.71 0.00 0.00 39.64 37.20 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 0.92 0.75 -0.03 0.38 -0.21 -1.26 -4.50 119.66 115.71 2guo s GLN 2 Ca 0.78 -0.21 0.03 0.00 0.02 0.00 0.00 55.36 55.98 2guo s GLN 2 Cb -0.66 -0.73 0.00 0.00 1.00 0.00 0.00 33.01 32.62 2guo s GLN 2 CO 0.37 0.06 -0.12 1.03 -2.12 0.00 0.00 175.29 174.51 2guo s ARG 3 N 0.30 1.31 0.23 2.91 0.52 -0.25 -4.92 118.95 119.05 2guo s ARG 3 Ca -0.04 -0.42 -0.30 0.00 -0.52 0.00 0.00 55.73 54.45 2guo s ARG 3 Cb -0.08 -1.17 -0.09 0.00 0.52 0.00 0.00 34.95 34.13 2guo s ARG 3 CO 0.00 0.15 1.09 0.99 0.02 0.00 0.00 175.30 177.56 2guo s THR 4 N 0.18 3.69 0.27 0.02 2.01 -1.26 -1.37 115.64 119.18 2guo s THR 4 Ca -0.04 1.58 -0.30 0.00 0.31 0.00 0.00 61.69 63.24 2guo s THR 4 Cb -0.10 -4.01 -0.10 0.00 0.01 0.00 0.00 72.50 68.30 2guo s THR 4 CO 0.01 0.33 1.39 -2.16 -0.69 0.00 0.00 174.62 173.50 2guo s PRO 5 N -0.92 4.30 -0.26 4.92 0.04 -1.26 -4.25 135.00 137.56 2guo s PRO 5 Ca 0.47 2.26 -0.14 0.00 0.04 0.00 0.00 61.00 63.62 2guo s PRO 5 Cb -0.30 -3.10 -0.04 0.00 0.04 0.00 0.00 34.50 31.09 2guo s PRO 5 CO 0.38 -0.34 0.34 0.15 0.04 0.00 0.00 177.00 177.57 2guo s LYS 6 N -0.81 4.03 -0.13 4.56 3.01 0.57 -4.89 119.74 126.08 2guo s LYS 6 Ca 0.56 0.00 -0.00 0.00 -1.01 0.00 0.00 55.97 55.52 2guo s LYS 6 Cb -0.41 -3.63 -0.02 0.00 -1.01 0.00 0.00 37.83 32.76 2guo s LYS 6 CO 0.46 -0.21 -0.13 0.42 0.51 0.00 0.00 175.35 176.40 2guo s ILE 7 N 1.87 3.08 -0.04 2.17 1.01 -1.26 -1.47 121.20 126.57 2guo s ILE 7 Ca 0.14 -0.65 0.04 0.00 0.00 0.00 0.00 60.65 60.18 2guo s ILE 7 Cb -0.16 -2.30 -0.00 0.00 0.01 0.00 0.00 42.46 40.02 2guo s ILE 7 CO 0.09 0.52 -0.15 -1.10 0.00 0.00 0.00 174.94 174.31 2guo s GLN 8 N 0.36 1.62 -0.12 2.79 -0.21 -0.16 -5.00 119.66 118.93 2guo s GLN 8 Ca -0.11 -0.53 0.02 0.00 0.02 0.00 0.00 55.36 54.76 2guo s GLN 8 Cb -0.16 -1.41 0.01 0.00 1.00 0.00 0.00 33.01 32.45 2guo s GLN 8 CO 0.06 0.20 -0.18 0.08 -2.12 0.00 0.00 175.29 173.32 2guo s VAL 9 N 0.13 1.74 0.10 1.09 1.01 -1.26 -0.83 120.40 122.38 2guo s VAL 9 Ca -0.05 -0.79 -0.25 0.00 0.00 0.00 0.00 61.98 60.89 2guo s VAL 9 Cb -0.11 -1.56 0.08 0.00 0.00 0.00 0.00 36.38 34.78 2guo s VAL 9 CO 0.02 0.49 0.79 -0.72 0.00 0.00 0.00 175.10 175.67 2guo s TYR 10 N 0.91 -0.36 0.19 5.22 1.13 -0.59 -4.61 117.35 119.24 2guo s TYR 10 Ca -0.07 0.14 -0.06 0.00 -1.41 0.00 0.00 57.07 55.68 2guo s TYR 10 Cb -0.15 0.58 -0.06 0.00 -1.10 0.00 0.00 41.96 41.23 2guo s TYR 10 CO -0.02 -0.76 0.45 -1.54 -2.51 0.00 0.00 175.55 171.17 2guo s SER 11 N -2.69 6.51 0.18 -0.18 1.04 -1.26 -0.23 113.70 117.08 2guo s SER 11 Ca 0.05 0.69 -0.13 0.00 0.48 0.00 0.00 55.95 57.04 2guo s SER 11 Cb -0.02 -2.13 0.16 0.00 0.10 0.00 0.00 66.02 64.14 2guo s SER 11 CO -0.07 -0.02 1.76 -0.09 0.98 0.00 0.00 173.24 175.80 2guo h ARG 12 N 2.52 0.41 -6.44 4.02 2.43 -1.58 -3.45 114.38 112.29 2guo h ARG 12 Ca -0.47 -0.02 -0.64 0.00 -0.81 0.00 0.00 59.98 58.04 2guo h ARG 12 Cb 1.17 -0.09 -0.16 0.00 -0.42 0.00 0.00 29.97 30.47 2guo h ARG 12 CO 0.70 0.27 -0.79 -1.01 -1.51 0.00 0.00 179.97 177.63 2guo s HIS 13 N -6.13 2.32 0.08 2.20 3.76 -1.26 -5.06 115.29 111.20 2guo s HIS 13 Ca -0.13 -0.34 -0.34 0.00 -0.15 0.00 0.00 55.06 54.10 2guo s HIS 13 Cb 0.14 -1.09 -0.13 0.00 1.11 0.00 0.00 32.58 32.61 2guo s HIS 13 CO 0.73 0.59 1.69 -2.30 -0.85 0.00 0.00 174.74 174.60 2guo n PRO 14 N -0.11 2.19 -2.54 8.40 -0.02 -1.26 -4.88 135.00 136.79 2guo n PRO 14 Ca -0.09 0.80 -0.40 0.00 -2.02 0.00 0.00 63.50 61.78 2guo n PRO 14 Cb 0.58 -2.60 -0.05 0.00 -0.02 0.00 0.00 33.50 31.41 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 2.04 3.38 -0.07 3.55 0.00 -1.26 -5.03 121.76 124.35 2guo s ALA 15 Ca 0.83 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 53.59 2guo s ALA 15 Cb -0.67 -3.30 0.04 0.00 0.00 0.00 0.00 23.12 19.19 2guo s ALA 15 CO 0.42 -0.08 0.15 -2.00 0.00 0.00 0.00 175.76 174.25 2guo s GLU 16 N -1.45 0.06 0.13 0.00 2.12 -1.26 -5.12 118.70 113.18 2guo s GLU 16 Ca 0.44 0.46 -0.33 0.00 0.36 0.00 0.00 54.97 55.91 2guo s GLU 16 Cb -0.30 -0.23 -0.12 0.00 0.26 0.00 0.00 34.13 33.73 2guo s GLU 16 CO 0.38 -0.24 1.71 0.09 -0.54 0.00 0.00 175.26 176.67 2guo n ASN 17 N 4.79 3.58 0.00 -1.70 3.02 -1.26 -1.85 115.26 121.83 2guo n ASN 17 Ca -0.15 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.44 2guo n ASN 17 Cb 0.51 -1.48 0.00 0.00 -0.61 0.00 0.00 39.78 38.19 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 3.86 0.56 3.40 7.41 0.00 -0.42 -5.00 105.19 115.00 2guo n GLY 18 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.82 3.47 0.61 1.61 2.20 -0.77 -4.99 119.74 121.05 2guo s LYS 19 Ca 0.00 -0.62 -0.18 0.00 -0.36 0.00 0.00 55.97 54.81 2guo s LYS 19 Cb 0.00 -2.79 -0.03 0.00 -1.51 0.00 0.00 37.83 33.51 2guo s LYS 19 CO 0.00 0.14 1.16 -1.54 -0.36 0.00 0.00 175.35 174.76 2guo s SER 20 N 0.57 5.20 0.14 1.43 1.04 -1.26 -4.18 113.70 116.64 2guo s SER 20 Ca -0.06 2.24 -0.06 0.00 0.48 0.00 0.00 55.95 58.56 2guo s SER 20 Cb -0.15 -2.58 0.02 0.00 0.10 0.00 0.00 66.02 63.41 2guo s SER 20 CO 0.03 -1.58 0.30 -3.20 0.98 0.00 0.00 173.24 169.77 2guo n ASN 21 N -1.83 -0.85 -4.03 7.02 2.85 0.14 -4.97 115.26 113.59 2guo n ASN 21 Ca 0.12 -1.58 -0.22 0.00 -0.11 0.00 0.00 54.58 52.79 2guo n ASN 21 Cb 0.51 1.41 -0.16 0.00 1.24 0.00 0.00 39.78 42.78 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 -6.34 1.17 -0.20 1.20 0.40 -1.26 -0.58 117.98 112.36 2guo s PHE 22 Ca 0.06 -0.32 -0.12 0.00 -0.60 0.00 0.00 56.93 55.95 2guo s PHE 22 Cb -0.02 -0.83 -0.05 0.00 0.51 0.00 0.00 43.02 42.64 2guo s PHE 22 CO 0.04 -0.14 0.22 -1.17 0.70 0.00 0.00 175.22 174.88 2guo s LEU 23 N 0.23 4.18 -0.02 -0.37 2.96 0.76 -1.31 118.68 125.13 2guo s LEU 23 Ca -0.05 0.31 0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2guo s LEU 23 Cb -0.10 -2.23 -0.03 0.00 0.50 0.00 0.00 46.19 44.33 2guo s LEU 23 CO 0.01 0.08 -0.15 0.20 -1.32 0.00 0.00 176.35 175.18 2guo s ASN 24 N 0.71 3.99 -0.27 3.68 0.01 0.68 -1.45 114.94 122.28 2guo s ASN 24 Ca 0.12 -0.27 0.03 0.00 -0.71 0.00 0.00 52.86 52.03 2guo s ASN 24 Cb -0.13 -0.78 0.07 0.00 0.41 0.00 0.00 41.25 40.82 2guo s ASN 24 CO 0.03 0.31 -0.07 0.00 -1.51 0.00 0.00 177.10 175.86 2guo s TYR 26 N 1.12 3.34 -0.15 0.00 5.04 -0.01 -1.37 117.35 125.32 2guo s TYR 26 Ca -0.05 0.22 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 2guo s TYR 26 Cb -0.20 -2.19 0.01 0.00 0.35 0.00 0.00 41.96 39.94 2guo s TYR 26 CO -0.06 0.17 -0.22 0.14 -1.34 0.00 0.00 175.55 174.24 2guo s VAL 27 N 0.65 2.06 0.20 3.14 -7.23 -0.44 -0.99 120.40 117.78 2guo s VAL 27 Ca 0.07 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.27 2guo s VAL 27 Cb -0.12 -1.83 -0.04 0.00 0.56 0.00 0.00 36.38 34.94 2guo s VAL 27 CO 0.01 0.55 0.08 -0.94 -0.31 0.00 0.00 175.10 174.48 2guo s SER 28 N 0.90 0.71 -0.12 4.85 1.04 -0.54 -1.36 113.70 119.18 2guo s SER 28 Ca -0.05 -1.30 0.00 0.00 0.48 0.00 0.00 55.95 55.08 2guo s SER 28 Cb -0.15 0.24 0.00 0.00 0.10 0.00 0.00 66.02 66.21 2guo s SER 28 CO -0.04 -0.73 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2guo n GLY 29 N -0.28 0.49 3.83 7.32 0.00 -0.38 -0.32 105.19 115.86 2guo n GLY 29 Ca -0.02 -0.65 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 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 -2.01 3.17 -0.28 1.61 -0.71 -1.13 -4.27 117.98 114.36 2guo s PHE 30 Ca 0.00 -0.07 -0.18 0.00 -1.04 0.00 0.00 56.93 55.65 2guo s PHE 30 Cb 0.00 -1.46 0.09 0.00 -1.21 0.00 0.00 43.02 40.44 2guo s PHE 30 CO 0.00 0.51 0.76 -1.58 -1.34 0.00 0.00 175.22 173.57 2guo s HIS 31 N -1.99 -0.92 0.72 3.49 2.46 -0.47 -0.82 115.29 117.77 2guo s HIS 31 Ca 0.32 1.90 -0.12 0.00 0.47 0.00 0.00 55.06 57.63 2guo s HIS 31 Cb -0.09 0.52 0.17 0.00 -0.13 0.00 0.00 32.58 33.05 2guo s HIS 31 CO 0.25 -0.45 0.83 -0.35 -2.47 0.00 0.00 174.74 172.55 2guo n PRO 32 N 3.86 -1.45 0.09 2.88 -0.04 -1.26 -1.09 135.00 137.99 2guo n PRO 32 Ca -0.18 -1.30 0.12 0.00 -0.04 0.00 0.00 63.50 62.10 2guo n PRO 32 Cb 0.58 -0.98 0.19 0.00 -0.04 0.00 0.00 33.50 33.25 2guo n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 2guo h SER 33 N -1.54 0.00 -2.81 3.54 4.64 -2.00 -3.45 113.55 111.93 2guo h SER 33 Ca -0.28 -0.12 -0.54 0.00 -0.47 0.00 0.00 61.79 60.38 2guo h SER 33 Cb 0.81 0.00 0.01 0.00 -0.31 0.00 0.00 62.40 62.91 2guo h SER 33 CO 0.19 0.06 0.90 -1.81 -0.87 0.00 0.00 176.83 175.30 2guo s ASP 34 N -4.67 6.72 -0.16 4.97 -0.00 -1.26 -4.96 116.67 117.31 2guo s ASP 34 Ca 0.06 2.33 -0.26 0.00 -0.00 0.00 0.00 52.55 54.68 2guo s ASP 34 Cb 0.12 -2.57 0.07 0.00 -0.00 0.00 0.00 42.92 40.54 2guo s ASP 34 CO 0.70 -0.80 0.67 -0.51 -0.00 0.00 0.00 175.17 175.23 2guo s ILE 35 N 2.32 0.00 -0.16 0.77 2.07 -1.26 -4.64 121.20 120.29 2guo s ILE 35 Ca 0.69 -0.02 -0.01 0.00 -1.41 0.00 0.00 60.65 59.90 2guo s ILE 35 Cb -0.36 -0.96 -0.01 0.00 0.13 0.00 0.00 42.46 41.26 2guo s ILE 35 CO 0.30 -0.01 -0.12 -1.61 -1.91 0.00 0.00 174.94 171.58 2guo s GLU 36 N -0.36 3.29 -0.08 3.50 2.02 -0.69 -5.00 118.70 121.38 2guo s GLU 36 Ca -0.05 -0.71 0.00 0.00 0.02 0.00 0.00 54.97 54.23 2guo s GLU 36 Cb -0.03 -2.71 0.02 0.00 0.10 0.00 0.00 34.13 31.52 2guo s GLU 36 CO 0.05 0.01 -0.06 0.08 0.02 0.00 0.00 175.26 175.36 2guo s VAL 37 N 0.85 0.80 -0.02 2.63 1.01 -1.26 -0.86 120.40 123.56 2guo s VAL 37 Ca -0.04 -0.20 0.05 0.00 0.00 0.00 0.00 61.98 61.79 2guo s VAL 37 Cb -0.15 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.39 2guo s VAL 37 CO -0.00 0.31 -0.17 -1.81 0.00 0.00 0.00 175.10 173.43 2guo s ASP 38 N 1.38 2.05 0.06 3.32 1.11 0.42 -4.95 116.67 120.05 2guo s ASP 38 Ca -0.03 -0.32 -0.19 0.00 0.18 0.00 0.00 52.55 52.19 2guo s ASP 38 Cb -0.14 -0.29 -0.06 0.00 1.07 0.00 0.00 42.92 43.50 2guo s ASP 38 CO -0.03 0.20 0.56 -0.76 1.18 0.00 0.00 175.17 176.32 2guo s LEU 39 N -0.33 4.51 -0.05 1.23 1.43 -1.26 0.36 118.68 124.56 2guo s LEU 39 Ca 0.05 1.23 0.06 0.00 -1.03 0.00 0.00 54.13 54.44 2guo s LEU 39 Cb -0.07 -2.88 -0.01 0.00 0.03 0.00 0.00 46.19 43.25 2guo s LEU 39 CO -0.00 0.26 -0.23 -0.76 0.23 0.00 0.00 176.35 175.84 2guo s LEU 40 N -0.99 2.18 -0.19 1.79 1.43 0.39 -1.18 118.68 122.11 2guo s LEU 40 Ca 0.29 -0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 52.92 2guo s LEU 40 Cb -0.19 -1.40 0.01 0.00 0.03 0.00 0.00 46.19 44.63 2guo s LEU 40 CO 0.18 0.26 -0.14 -0.75 0.23 0.00 0.00 176.35 176.14 2guo s LYS 41 N -0.27 3.16 -1.31 1.70 2.20 0.51 -1.68 119.74 124.05 2guo s LYS 41 Ca -0.00 -0.75 -0.11 0.00 -0.36 0.00 0.00 55.97 54.75 2guo s LYS 41 Cb -0.13 -2.72 0.09 0.00 -1.51 0.00 0.00 37.83 33.56 2guo s LYS 41 CO 0.03 -0.16 0.52 0.09 -0.36 0.00 0.00 175.35 175.47 2guo n ASN 42 N 4.56 -3.51 0.00 1.43 3.02 0.18 -0.55 115.26 120.39 2guo n ASN 42 Ca -0.20 -0.47 0.00 0.00 -0.03 0.00 0.00 54.58 53.88 2guo n ASN 42 Cb 0.51 -2.91 0.00 0.00 -0.61 0.00 0.00 39.78 36.77 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 -1.17 2.07 3.88 7.41 0.00 -1.26 -5.04 105.19 111.07 2guo n GLY 43 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.39 3.62 0.08 1.61 2.02 0.29 -4.99 118.70 120.94 2guo s GLU 44 Ca 0.00 -0.03 -0.31 0.00 0.02 0.00 0.00 54.97 54.65 2guo s GLU 44 Cb 0.00 -3.04 -0.08 0.00 0.10 0.00 0.00 34.13 31.10 2guo s GLU 44 CO 0.00 0.62 1.59 0.50 0.02 0.00 0.00 175.26 177.99 2guo s ARG 45 N -1.88 4.22 -0.07 1.61 3.52 -1.26 -0.36 118.95 124.73 2guo s ARG 45 Ca 0.30 2.28 -0.30 0.00 -0.13 0.00 0.00 55.73 57.89 2guo s ARG 45 Cb -0.13 -3.48 -0.02 0.00 -1.56 0.00 0.00 34.95 29.76 2guo s ARG 45 CO 0.18 -0.67 1.00 0.42 -0.81 0.00 0.00 175.30 175.41 2guo s ILE 46 N 2.21 4.80 0.06 4.11 1.01 -0.32 -4.87 121.20 128.21 2guo s ILE 46 Ca 0.71 2.04 0.05 0.00 0.00 0.00 0.00 60.65 63.45 2guo s ILE 46 Cb -0.40 -4.31 -0.24 0.00 0.01 0.00 0.00 42.46 37.53 2guo s ILE 46 CO 0.31 0.06 1.06 -0.33 0.00 0.00 0.00 174.94 176.04 2guo h GLU 47 N 7.00 0.08 -2.91 2.79 5.08 -1.94 -3.40 114.58 121.29 2guo h GLU 47 Ca -0.34 -0.14 -0.77 0.00 -1.00 0.00 0.00 59.36 57.10 2guo h GLU 47 Cb 1.17 0.05 -0.18 0.00 0.50 0.00 0.00 28.75 30.29 2guo h GLU 47 CO 0.82 0.96 1.78 0.36 -1.00 0.00 0.00 179.01 181.92 2guo n LYS 48 N -3.34 4.38 -4.92 2.33 2.85 -1.26 -4.95 118.16 113.26 2guo n LYS 48 Ca -0.07 -3.87 -0.33 0.00 -1.05 0.00 0.00 58.31 52.99 2guo n LYS 48 Cb 0.99 -2.68 -0.14 0.00 -0.65 0.00 0.00 35.03 32.55 2guo n LYS 48 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2guo s VAL 49 N -1.43 2.85 0.25 0.58 1.01 -1.26 -4.73 120.40 117.66 2guo s VAL 49 Ca 0.43 -0.77 0.07 0.00 0.00 0.00 0.00 61.98 61.71 2guo s VAL 49 Cb 0.13 -2.14 -0.04 0.00 0.00 0.00 0.00 36.38 34.33 2guo s VAL 49 CO -0.03 0.56 0.17 -1.61 0.00 0.00 0.00 175.10 174.19 2guo s GLU 50 N -0.12 2.86 0.06 2.72 2.02 -0.52 -4.94 118.70 120.78 2guo s GLU 50 Ca -0.02 -1.08 0.00 0.00 0.02 0.00 0.00 54.97 53.89 2guo s GLU 50 Cb -0.14 -2.53 -0.04 0.00 0.10 0.00 0.00 34.13 31.53 2guo s GLU 50 CO 0.04 0.40 -0.05 -3.38 0.02 0.00 0.00 175.26 172.29 2guo s HIS 51 N -2.13 0.65 0.82 1.61 -3.43 -1.26 -1.39 115.29 110.16 2guo s HIS 51 Ca 0.33 -0.91 -0.12 0.00 -0.80 0.00 0.00 55.06 53.56 2guo s HIS 51 Cb -0.08 -0.42 0.08 0.00 -1.43 0.00 0.00 32.58 30.74 2guo s HIS 51 CO 0.24 -0.25 1.17 -1.54 -2.00 0.00 0.00 174.74 172.36 2guo s SER 52 N -2.70 4.41 0.21 7.38 1.04 0.35 -5.00 113.70 119.40 2guo s SER 52 Ca 0.05 0.84 -0.30 0.00 0.48 0.00 0.00 55.95 57.02 2guo s SER 52 Cb 0.04 -1.36 -0.08 0.00 0.10 0.00 0.00 66.02 64.71 2guo s SER 52 CO -0.06 -1.97 1.03 -1.81 0.98 0.00 0.00 173.24 171.40 2guo s ASP 53 N -4.47 7.43 0.07 7.02 -0.00 -1.26 -4.79 116.67 120.67 2guo s ASP 53 Ca 0.62 2.04 -0.32 0.00 -0.00 0.00 0.00 52.55 54.89 2guo s ASP 53 Cb -0.12 -2.61 -0.11 0.00 -0.00 0.00 0.00 42.92 40.08 2guo s ASP 53 CO 0.50 -0.05 1.84 -0.11 -0.00 0.00 0.00 175.17 177.35 2guo n LEU 54 N 1.85 3.85 0.00 1.23 7.94 -1.26 -4.91 117.00 125.70 2guo n LEU 54 Ca 0.00 0.98 -0.14 0.00 -1.11 0.00 0.00 56.01 55.75 2guo n LEU 54 Cb 0.47 -1.50 -0.05 0.00 0.53 0.00 0.00 43.42 42.87 2guo n LEU 54 CO 0.52 0.09 -0.08 -0.24 -1.11 0.00 0.00 177.39 176.57 2guo n SER 55 N 5.88 0.04 -3.74 1.96 2.88 -1.21 -5.04 113.62 114.39 2guo n SER 55 Ca 0.19 -2.40 -0.10 0.00 -1.33 0.00 0.00 58.87 55.23 2guo n SER 55 Cb 0.35 0.94 -0.04 0.00 -0.75 0.00 0.00 64.21 64.72 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 -2.76 -0.08 0.57 0.66 -0.12 -1.26 -2.00 117.98 112.98 2guo s PHE 56 Ca 0.22 -0.26 0.02 0.00 -0.05 0.00 0.00 56.93 56.86 2guo s PHE 56 Cb 0.01 0.33 0.11 0.00 -0.63 0.00 0.00 43.02 42.84 2guo s PHE 56 CO 0.15 -0.87 0.78 0.43 -0.05 0.00 0.00 175.22 175.67 2guo n SER 57 N -0.32 1.26 -0.07 1.98 7.64 0.02 -4.93 113.62 119.22 2guo n SER 57 Ca -0.11 -2.02 0.08 0.00 1.01 0.00 0.00 58.87 57.84 2guo n SER 57 Cb 0.63 -0.49 0.45 0.00 -1.01 0.00 0.00 64.21 63.79 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 0.50 -0.43 1.43 1.57 -2.03 -0.67 116.57 116.94 2guo h LYS 58 Ca -0.26 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.49 2guo h LYS 58 Cb 1.01 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 33.21 2guo h LYS 58 CO 0.30 0.33 0.00 -0.40 -0.57 0.00 0.00 179.45 179.11 2guo n ASP 59 N -4.47 1.69 0.00 0.86 5.75 -1.26 -4.89 116.55 114.23 2guo n ASP 59 Ca 0.07 -2.09 0.00 0.00 -0.01 0.00 0.00 54.79 52.76 2guo n ASP 59 Cb 0.23 -0.28 0.00 0.00 -1.03 0.00 0.00 41.12 40.03 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 0.22 0.00 -2.62 2.11 7.02 -0.26 -5.02 117.44 118.89 2guo n TRP 60 Ca 0.08 0.00 -0.35 0.00 -1.02 0.00 0.00 57.50 56.22 2guo n TRP 60 Cb 0.31 -0.25 -0.05 0.00 -2.42 0.00 0.00 31.31 28.91 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 -3.16 6.67 0.35 -0.99 1.04 -1.26 -4.65 113.70 111.71 2guo s SER 61 Ca 0.00 1.90 -0.05 0.00 0.48 0.00 0.00 55.95 58.29 2guo s SER 61 Cb 0.00 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.51 2guo s SER 61 CO 0.00 -0.55 0.62 -0.36 0.98 0.00 0.00 173.24 173.93 2guo s PHE 62 N -1.90 3.50 0.03 5.02 0.08 0.00 -0.79 117.98 123.92 2guo s PHE 62 Ca 0.62 0.67 0.01 0.00 0.12 0.00 0.00 56.93 58.34 2guo s PHE 62 Cb -0.17 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.12 2guo s PHE 62 CO 0.21 0.05 -0.04 1.52 -0.10 0.00 0.00 175.22 176.86 2guo s TYR 63 N -2.28 0.43 -0.06 0.36 -0.85 -0.85 -1.25 117.35 112.86 2guo s TYR 63 Ca 0.45 -0.61 -0.11 0.00 -0.52 0.00 0.00 57.07 56.28 2guo s TYR 63 Cb -0.10 -0.29 0.02 0.00 0.38 0.00 0.00 41.96 41.97 2guo s TYR 63 CO 0.34 -0.18 0.27 -0.51 -1.52 0.00 0.00 175.55 173.95 2guo s LEU 64 N -1.75 0.98 -0.19 -3.49 1.43 -0.46 -3.33 118.68 111.87 2guo s LEU 64 Ca -0.10 0.30 -0.02 0.00 -1.03 0.00 0.00 54.13 53.28 2guo s LEU 64 Cb -0.07 1.04 -0.00 0.00 0.03 0.00 0.00 46.19 47.19 2guo s LEU 64 CO -0.02 -0.26 -0.10 -0.22 0.23 0.00 0.00 176.35 175.98 2guo s LEU 65 N -0.57 2.67 -0.10 1.79 2.96 -1.26 -1.33 118.68 122.84 2guo s LEU 65 Ca -0.07 -0.44 -0.04 0.00 -0.22 0.00 0.00 54.13 53.37 2guo s LEU 65 Cb -0.04 -1.65 -0.04 0.00 0.50 0.00 0.00 46.19 44.97 2guo s LEU 65 CO 0.02 0.03 0.05 -0.31 -1.32 0.00 0.00 176.35 174.82 2guo s TYR 66 N 1.15 3.31 -0.03 5.38 2.02 -0.47 -0.49 117.35 128.21 2guo s TYR 66 Ca 0.01 0.29 -0.23 0.00 -0.37 0.00 0.00 57.07 56.77 2guo s TYR 66 Cb -0.14 -1.86 0.05 0.00 -0.40 0.00 0.00 41.96 39.60 2guo s TYR 66 CO -0.03 0.53 0.51 1.52 -1.57 0.00 0.00 175.55 176.51 2guo s TYR 67 N -0.84 -0.44 -0.04 2.71 -0.85 -0.48 0.32 117.35 117.74 2guo s TYR 67 Ca 0.13 0.73 -0.09 0.00 -0.52 0.00 0.00 57.07 57.32 2guo s TYR 67 Cb -0.12 0.26 0.01 0.00 0.38 0.00 0.00 41.96 42.50 2guo s TYR 67 CO 0.03 -0.51 0.20 -0.08 -1.52 0.00 0.00 175.55 173.67 2guo s THR 68 N -1.24 0.04 0.20 -3.49 -1.32 -0.53 -1.44 115.64 107.86 2guo s THR 68 Ca -0.12 -0.36 -0.31 0.00 -1.21 0.00 0.00 61.69 59.68 2guo s THR 68 Cb -0.02 -0.41 -0.10 0.00 -1.51 0.00 0.00 72.50 70.45 2guo s THR 68 CO 0.07 -0.20 1.57 -0.70 -2.21 0.00 0.00 174.62 173.15 2guo s GLU 69 N -0.74 4.20 0.07 7.08 2.12 -1.26 -0.17 118.70 130.00 2guo s GLU 69 Ca -0.08 2.41 -0.11 0.00 0.36 0.00 0.00 54.97 57.54 2guo s GLU 69 Cb -0.05 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.23 2guo s GLU 69 CO 0.01 -0.60 0.25 -0.59 -0.54 0.00 0.00 175.26 173.80 2guo s PHE 70 N 0.84 0.00 -0.29 5.30 -0.71 0.25 -4.86 117.98 118.51 2guo s PHE 70 Ca 0.68 -0.27 0.00 0.00 -1.04 0.00 0.00 56.93 56.30 2guo s PHE 70 Cb -0.45 0.04 0.06 0.00 -1.21 0.00 0.00 43.02 41.46 2guo s PHE 70 CO 0.35 -0.52 -0.04 0.99 -1.34 0.00 0.00 175.22 174.66 2guo s THR 71 N -3.12 2.69 0.33 -4.49 2.01 -1.26 0.28 115.64 112.07 2guo s THR 71 Ca -0.01 -1.50 -0.28 0.00 0.31 0.00 0.00 61.69 60.21 2guo s THR 71 Cb 0.01 -2.57 -0.12 0.00 0.01 0.00 0.00 72.50 69.83 2guo s THR 71 CO -0.07 -0.10 1.30 -2.65 -0.69 0.00 0.00 174.62 172.42 2guo n PRO 72 N 4.55 2.13 -4.44 4.92 -0.02 -1.26 -4.82 135.00 136.06 2guo n PRO 72 Ca -0.13 0.75 -0.23 0.00 -2.02 0.00 0.00 63.50 61.87 2guo n PRO 72 Cb 0.43 -2.34 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 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 0.59 0.16 3.45 -4.23 -1.26 -1.31 115.64 112.03 2guo s THR 73 Ca 0.56 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.97 2guo s THR 73 Cb -0.57 -2.47 0.01 0.00 1.34 0.00 0.00 72.50 70.80 2guo s THR 73 CO 0.61 0.00 1.55 -0.08 -0.54 0.00 0.00 174.62 176.16 2guo h GLU 74 N 1.98 1.00 0.00 3.99 4.57 -1.98 -3.34 114.58 120.81 2guo h GLU 74 Ca -0.35 -0.42 -0.13 0.00 -1.18 0.00 0.00 59.36 57.28 2guo h GLU 74 Cb 1.26 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.79 2guo h GLU 74 CO 0.57 1.10 -0.95 1.57 -1.18 0.00 0.00 179.01 180.11 2guo h LYS 75 N 0.86 0.00 -6.09 1.92 2.10 -2.02 -3.47 116.57 109.87 2guo h LYS 75 Ca 0.11 0.00 -0.56 0.00 -2.00 0.00 0.00 60.65 58.20 2guo h LYS 75 Cb 0.78 0.00 -0.05 0.00 -0.90 0.00 0.00 32.23 32.06 2guo h LYS 75 CO 0.07 0.37 0.05 -0.51 -2.00 0.00 0.00 179.45 177.43 2guo s ASP 76 N -6.08 7.02 -0.13 7.07 1.01 -1.25 -5.04 116.67 119.26 2guo s ASP 76 Ca 0.01 1.21 -0.04 0.00 0.71 0.00 0.00 52.55 54.44 2guo s ASP 76 Cb 0.08 -2.40 -0.03 0.00 1.01 0.00 0.00 42.92 41.58 2guo s ASP 76 CO 0.78 0.00 0.02 -1.61 0.21 0.00 0.00 175.17 174.57 2guo s GLU 77 N 0.22 3.49 0.14 8.23 2.02 -1.26 -4.77 118.70 126.77 2guo s GLU 77 Ca 0.35 -0.40 0.11 0.00 0.02 0.00 0.00 54.97 55.05 2guo s GLU 77 Cb -0.18 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.03 2guo s GLU 77 CO 0.18 0.46 -0.25 0.71 0.02 0.00 0.00 175.26 176.38 2guo s TYR 78 N -0.21 2.25 0.23 1.61 2.02 -1.26 0.47 117.35 122.46 2guo s TYR 78 Ca 0.06 -0.38 -0.17 0.00 -0.37 0.00 0.00 57.07 56.21 2guo s TYR 78 Cb -0.12 -1.19 0.02 0.00 -0.40 0.00 0.00 41.96 40.26 2guo s TYR 78 CO 0.02 0.37 0.56 0.00 -1.57 0.00 0.00 175.55 174.92 2guo s ALA 79 N -1.24 -0.80 -0.06 3.71 0.00 -0.68 -0.79 121.76 121.91 2guo s ALA 79 Ca 0.15 -0.44 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2guo s ALA 79 Cb -0.09 0.92 0.00 0.00 0.00 0.00 0.00 23.12 23.94 2guo s ALA 79 CO 0.07 -0.88 -0.18 0.00 0.00 0.00 0.00 175.76 174.77 2guo s ARG 81 N 0.24 3.26 -0.07 0.00 3.52 0.16 -1.56 118.95 124.50 2guo s ARG 81 Ca -0.09 -0.70 0.04 0.00 -0.13 0.00 0.00 55.73 54.85 2guo s ARG 81 Cb -0.14 -2.79 -0.00 0.00 -1.56 0.00 0.00 34.95 30.46 2guo s ARG 81 CO 0.04 -0.11 -0.20 0.08 -0.81 0.00 0.00 175.30 174.29 2guo s VAL 82 N 1.18 1.74 0.13 7.11 1.01 0.12 -0.44 120.40 131.25 2guo s VAL 82 Ca 0.02 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.24 2guo s VAL 82 Cb -0.14 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.70 2guo s VAL 82 CO -0.04 0.49 -0.24 0.21 0.00 0.00 0.00 175.10 175.52 2guo s ASN 83 N 0.20 3.01 -0.06 3.32 3.84 -0.04 -1.08 114.94 124.14 2guo s ASN 83 Ca -0.11 -0.74 -0.29 0.00 0.21 0.00 0.00 52.86 51.93 2guo s ASN 83 Cb -0.15 -0.19 0.11 0.00 -0.55 0.00 0.00 41.25 40.47 2guo s ASN 83 CO 0.05 0.12 0.92 -2.28 -2.79 0.00 0.00 177.10 173.12 2guo s HIS 84 N -1.19 -0.36 0.53 0.43 5.65 -1.26 -1.71 115.29 117.38 2guo s HIS 84 Ca 0.12 0.38 0.22 0.00 0.25 0.00 0.00 55.06 56.03 2guo s HIS 84 Cb -0.10 0.50 1.36 0.00 -1.18 0.00 0.00 32.58 33.17 2guo s HIS 84 CO 0.06 -0.47 2.07 -0.24 -0.65 0.00 0.00 174.74 175.50 2guo h VAL 85 N 2.22 0.83 0.00 0.89 3.04 -1.95 -1.83 116.25 119.45 2guo h VAL 85 Ca -0.21 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.48 2guo h VAL 85 Cb 1.21 0.86 0.00 0.00 -2.01 0.00 0.00 31.29 31.34 2guo h VAL 85 CO 0.31 0.00 0.00 0.71 -1.01 0.00 0.00 177.57 177.58 2guo h THR 86 N 0.00 0.00 -3.44 3.17 1.35 -1.91 -3.43 112.91 108.64 2guo h THR 86 Ca 0.13 -0.58 -0.61 0.00 -0.55 0.00 0.00 66.41 64.80 2guo h THR 86 Cb 0.54 1.53 -0.14 0.00 -1.73 0.00 0.00 68.15 68.35 2guo h THR 86 CO -0.00 0.00 -0.51 -0.76 -0.25 0.00 0.00 175.52 174.00 2guo s LEU 87 N -5.25 4.11 0.11 3.87 1.43 -0.69 -4.98 118.68 117.27 2guo s LEU 87 Ca 0.07 0.15 0.27 0.00 -1.03 0.00 0.00 54.13 53.58 2guo s LEU 87 Cb 0.09 -2.08 1.00 0.00 0.03 0.00 0.00 46.19 45.23 2guo s LEU 87 CO 0.57 0.11 1.83 -1.54 0.23 0.00 0.00 176.35 177.55 2guo n SER 88 N 3.95 0.40 -3.81 2.29 3.41 -1.26 -4.62 113.62 113.99 2guo n SER 88 Ca -0.16 0.54 -0.09 0.00 -0.26 0.00 0.00 58.87 58.90 2guo n SER 88 Cb 0.52 -0.65 -0.06 0.00 -0.26 0.00 0.00 64.21 63.76 2guo n SER 88 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2guo s GLN 89 N -3.06 1.01 0.26 4.33 0.00 -1.26 -5.14 119.66 115.79 2guo s GLN 89 Ca 0.12 -0.92 -0.29 0.00 -0.00 0.00 0.00 55.36 54.27 2guo s GLN 89 Cb 0.15 0.40 -0.15 0.00 0.00 0.00 0.00 33.01 33.41 2guo s GLN 89 CO 0.54 -0.36 0.96 -2.30 0.00 0.00 0.00 175.29 174.12 2guo n PRO 90 N -0.16 1.11 -4.34 9.60 -0.02 -1.26 -4.94 135.00 135.00 2guo n PRO 90 Ca -0.13 0.39 -0.34 0.00 -2.02 0.00 0.00 63.50 61.40 2guo n PRO 90 Cb 0.63 -1.72 -0.13 0.00 -0.02 0.00 0.00 33.50 32.26 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 -1.29 3.62 -0.21 -0.52 2.20 -0.24 -4.94 119.74 118.35 2guo s LYS 91 Ca 0.62 -0.54 -0.03 0.00 -0.36 0.00 0.00 55.97 55.66 2guo s LYS 91 Cb -0.76 -2.93 -0.00 0.00 -1.51 0.00 0.00 37.83 32.63 2guo s LYS 91 CO 0.58 0.16 -0.07 0.42 -0.36 0.00 0.00 175.35 176.09 2guo s ILE 92 N 0.56 3.17 -0.24 5.43 1.01 -1.26 -0.70 121.20 129.16 2guo s ILE 92 Ca -0.03 -0.56 -0.06 0.00 0.00 0.00 0.00 60.65 60.00 2guo s ILE 92 Cb -0.14 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 2guo s ILE 92 CO 0.03 0.44 0.02 -0.69 0.00 0.00 0.00 174.94 174.74 2guo s VAL 93 N 1.43 3.88 0.33 2.92 1.01 -0.60 -4.95 120.40 124.42 2guo s VAL 93 Ca 0.05 -0.36 -0.23 0.00 0.00 0.00 0.00 61.98 61.45 2guo s VAL 93 Cb -0.14 -2.81 -0.10 0.00 0.00 0.00 0.00 36.38 33.33 2guo s VAL 93 CO -0.05 0.35 0.89 -0.54 0.00 0.00 0.00 175.10 175.76 2guo s LYS 94 N 1.55 4.40 -0.05 2.72 1.02 -1.26 -1.34 119.74 126.78 2guo s LYS 94 Ca 0.06 1.16 -0.30 0.00 0.02 0.00 0.00 55.97 56.90 2guo s LYS 94 Cb -0.15 -2.64 -0.04 0.00 -0.52 0.00 0.00 37.83 34.48 2guo s LYS 94 CO 0.01 0.22 1.39 -0.46 -0.92 0.00 0.00 175.35 175.58 2guo s TRP 95 N -1.76 2.76 -0.29 3.18 -0.00 0.03 -4.86 118.94 117.99 2guo s TRP 95 Ca 0.52 0.80 0.02 0.00 -0.00 0.00 0.00 56.10 57.44 2guo s TRP 95 Cb -0.15 -3.64 0.07 0.00 -0.00 0.00 0.00 33.47 29.74 2guo s TRP 95 CO 0.20 -2.39 -0.03 0.34 -0.00 0.00 0.00 176.95 175.07 2guo s ASP 96 N 2.07 4.67 0.09 5.86 -1.08 -1.26 -4.77 116.67 122.24 2guo s ASP 96 Ca 0.63 -1.56 0.26 0.00 -0.52 0.00 0.00 52.55 51.36 2guo s ASP 96 Cb -0.29 -1.62 1.02 0.00 -1.46 0.00 0.00 42.92 40.57 2guo s ASP 96 CO 0.24 -0.27 1.82 -2.11 0.52 0.00 0.00 175.17 175.37 2guo n ARG 97 N 4.45 0.10 -1.07 4.34 1.85 -1.26 -3.64 116.66 121.43 2guo n ARG 97 Ca -0.10 0.13 -0.21 0.00 -1.00 0.00 0.00 57.85 56.67 2guo n ARG 97 Cb 0.42 -1.63 0.15 0.00 -1.05 0.00 0.00 32.46 30.35 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 -1.80 3.95 0.00 2.89 10.43 -1.26 -4.93 116.55 125.82 2guo n ASP 98 Ca 0.06 -3.40 0.16 0.00 2.57 0.00 0.00 54.79 54.18 2guo n ASP 98 Cb 0.34 -0.81 0.94 0.00 1.84 0.00 0.00 41.12 43.44 2guo n ASP 98 CO 0.00 0.00 0.00 0.23 -1.07 0.00 0.00 177.20 176.36