#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ogt s ILE 1 N 0.00 4.26 0.13 1.12 1.01 -1.26 -5.03 121.20 121.42 1ogt s ILE 1 Ca 0.00 1.61 0.08 0.00 0.00 0.00 0.00 60.65 62.34 1ogt s ILE 1 Cb 0.00 -4.03 -0.04 0.00 0.01 0.00 0.00 42.46 38.40 1ogt s ILE 1 CO 0.00 0.07 -0.13 -1.10 0.00 0.00 0.00 174.94 173.78 1ogt s GLN 2 N 1.57 1.98 -0.07 2.79 -0.21 -1.26 -4.81 119.66 119.65 1ogt s GLN 2 Ca 0.56 -1.14 0.01 0.00 0.02 0.00 0.00 55.36 54.82 1ogt s GLN 2 Cb -0.26 -2.20 0.02 0.00 1.00 0.00 0.00 33.01 31.57 1ogt s GLN 2 CO 0.26 0.48 -0.09 1.03 -2.12 0.00 0.00 175.29 174.85 1ogt s ARG 3 N -2.32 1.44 0.36 2.91 0.52 0.02 -4.93 118.95 116.94 1ogt s ARG 3 Ca 0.21 -0.29 -0.25 0.00 -0.52 0.00 0.00 55.73 54.88 1ogt s ARG 3 Cb -0.10 -1.32 -0.10 0.00 0.52 0.00 0.00 34.95 33.95 1ogt s ARG 3 CO 0.13 -0.08 0.97 -0.08 0.02 0.00 0.00 175.30 176.26 1ogt s THR 4 N 1.01 4.12 0.30 0.02 -1.32 -1.26 -1.37 115.64 117.13 1ogt s THR 4 Ca -0.09 1.65 -0.29 0.00 -1.21 0.00 0.00 61.69 61.75 1ogt s THR 4 Cb -0.15 -3.87 -0.10 0.00 -1.51 0.00 0.00 72.50 66.88 1ogt s THR 4 CO -0.00 0.04 1.29 -2.16 -2.21 0.00 0.00 174.62 171.57 1ogt s PRO 5 N -2.34 4.39 0.44 7.08 0.04 -1.26 -4.43 135.00 138.92 1ogt s PRO 5 Ca 0.54 2.15 -0.22 0.00 0.04 0.00 0.00 61.00 63.50 1ogt s PRO 5 Cb -0.18 -3.11 -0.09 0.00 0.04 0.00 0.00 34.50 31.17 1ogt s PRO 5 CO 0.23 -0.16 1.05 0.15 0.04 0.00 0.00 177.00 178.31 1ogt s LYS 6 N -1.42 4.00 -0.04 4.56 1.02 0.19 -4.91 119.74 123.15 1ogt s LYS 6 Ca 0.50 1.46 0.00 0.00 0.02 0.00 0.00 55.97 57.95 1ogt s LYS 6 Cb -0.38 -2.36 0.03 0.00 -0.52 0.00 0.00 37.83 34.59 1ogt s LYS 6 CO 0.49 -0.27 -0.01 0.42 -0.92 0.00 0.00 175.35 175.06 1ogt s ILE 7 N -1.78 0.27 -0.03 2.17 1.01 -1.26 -1.77 121.20 119.80 1ogt s ILE 7 Ca 0.62 0.06 0.03 0.00 0.00 0.00 0.00 60.65 61.36 1ogt s ILE 7 Cb -0.20 -0.37 0.00 0.00 0.01 0.00 0.00 42.46 41.91 1ogt s ILE 7 CO 0.25 0.18 -0.12 -1.10 0.00 0.00 0.00 174.94 174.15 1ogt s GLN 8 N 1.17 1.30 -0.09 2.79 -0.21 -0.51 -5.00 119.66 119.11 1ogt s GLN 8 Ca -0.08 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 54.92 1ogt s GLN 8 Cb -0.13 -1.17 0.01 0.00 1.00 0.00 0.00 33.01 32.71 1ogt s GLN 8 CO -0.02 0.15 -0.20 0.08 -2.12 0.00 0.00 175.29 173.19 1ogt s VAL 9 N 0.18 1.73 0.07 1.09 1.01 -1.26 -0.92 120.40 122.30 1ogt s VAL 9 Ca -0.04 -0.82 -0.27 0.00 0.00 0.00 0.00 61.98 60.84 1ogt s VAL 9 Cb -0.10 -1.51 0.09 0.00 0.00 0.00 0.00 36.38 34.85 1ogt s VAL 9 CO 0.01 0.49 1.02 -0.72 0.00 0.00 0.00 175.10 175.89 1ogt s TYR 10 N 0.49 -0.16 0.13 5.22 1.13 -0.58 -4.55 117.35 119.02 1ogt s TYR 10 Ca -0.17 -0.05 0.03 0.00 -1.41 0.00 0.00 57.07 55.47 1ogt s TYR 10 Cb -0.17 0.59 -0.04 0.00 -1.10 0.00 0.00 41.96 41.24 1ogt s TYR 10 CO 0.07 -0.63 0.20 -1.54 -2.51 0.00 0.00 175.55 171.14 1ogt s SER 11 N -2.80 5.98 0.12 -0.18 1.04 -1.26 -0.42 113.70 116.19 1ogt s SER 11 Ca 0.11 0.07 -0.17 0.00 0.48 0.00 0.00 55.95 56.44 1ogt s SER 11 Cb -0.00 -1.72 -0.03 0.00 0.10 0.00 0.00 66.02 64.37 1ogt s SER 11 CO -0.02 0.09 1.63 -0.09 0.98 0.00 0.00 173.24 175.83 1ogt h ARG 12 N 2.50 0.55 -6.20 4.02 2.43 -1.61 -3.45 114.38 112.62 1ogt h ARG 12 Ca -0.47 -0.12 -0.59 0.00 -0.81 0.00 0.00 59.98 57.98 1ogt h ARG 12 Cb 1.19 -0.08 -0.12 0.00 -0.42 0.00 0.00 29.97 30.54 1ogt h ARG 12 CO 0.68 0.58 -0.71 -1.01 -1.51 0.00 0.00 179.97 177.99 1ogt s HIS 13 N -5.37 2.44 0.20 2.20 3.76 -1.26 -5.04 115.29 112.22 1ogt s HIS 13 Ca -0.13 -0.30 -0.33 0.00 -0.15 0.00 0.00 55.06 54.15 1ogt s HIS 13 Cb 0.09 -1.08 -0.14 0.00 1.11 0.00 0.00 32.58 32.56 1ogt s HIS 13 CO 0.75 0.68 1.51 -2.30 -0.85 0.00 0.00 174.74 174.52 1ogt n PRO 14 N -0.73 2.11 -2.03 8.40 -0.02 -1.26 -4.87 135.00 136.60 1ogt n PRO 14 Ca -0.05 0.76 -0.42 0.00 -2.02 0.00 0.00 63.50 61.76 1ogt n PRO 14 Cb 0.60 -2.48 -0.03 0.00 -0.02 0.00 0.00 33.50 31.57 1ogt n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ogt s ALA 15 N 0.47 3.67 -0.17 3.55 0.00 -1.26 -5.00 121.76 123.03 1ogt s ALA 15 Ca 0.74 1.19 -0.01 0.00 0.00 0.00 0.00 51.96 53.88 1ogt s ALA 15 Cb -0.66 -3.62 0.05 0.00 0.00 0.00 0.00 23.12 18.88 1ogt s ALA 15 CO 0.43 -0.86 -0.03 -2.00 0.00 0.00 0.00 175.76 173.30 1ogt s GLU 16 N 1.79 1.22 0.14 0.00 2.12 -1.26 -5.11 118.70 117.60 1ogt s GLU 16 Ca 0.69 -0.49 -0.34 0.00 0.36 0.00 0.00 54.97 55.19 1ogt s GLU 16 Cb -0.39 -1.99 -0.16 0.00 0.26 0.00 0.00 34.13 31.85 1ogt s GLU 16 CO 0.31 -0.48 1.34 0.09 -0.54 0.00 0.00 175.26 175.98 1ogt n ASN 17 N 4.91 1.93 0.00 -1.70 3.02 -1.26 -1.27 115.26 120.90 1ogt n ASN 17 Ca -0.11 1.12 0.00 0.00 -0.03 0.00 0.00 54.58 55.56 1ogt n ASN 17 Cb 0.47 -1.27 0.00 0.00 -0.61 0.00 0.00 39.78 38.38 1ogt n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ogt n GLY 18 N 2.49 1.12 3.31 7.41 0.00 -0.29 -5.00 105.19 114.23 1ogt n GLY 18 Ca 0.16 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.85 1ogt n GLY 18 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1ogt s LYS 19 N -0.29 3.32 0.46 1.61 2.20 -0.39 -5.00 119.74 121.65 1ogt s LYS 19 Ca 0.00 -0.69 -0.24 0.00 -0.36 0.00 0.00 55.97 54.68 1ogt s LYS 19 Cb 0.00 -2.72 -0.09 0.00 -1.51 0.00 0.00 37.83 33.51 1ogt s LYS 19 CO 0.00 0.04 1.21 0.45 -0.36 0.00 0.00 175.35 176.69 1ogt n SER 20 N 4.04 2.16 -2.31 1.43 2.88 -1.26 -4.23 113.62 116.34 1ogt n SER 20 Ca -0.19 1.04 -0.07 0.00 -1.33 0.00 0.00 58.87 58.32 1ogt n SER 20 Cb 0.52 -1.48 0.01 0.00 -0.75 0.00 0.00 64.21 62.51 1ogt n SER 20 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1ogt n ASN 21 N -0.05 -1.47 -4.22 -3.46 2.85 0.22 -4.99 115.26 104.15 1ogt n ASN 21 Ca 0.08 -2.19 -0.29 0.00 -0.11 0.00 0.00 54.58 52.08 1ogt n ASN 21 Cb 0.41 2.49 -0.16 0.00 1.24 0.00 0.00 39.78 43.77 1ogt n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 1ogt s PHE 22 N -4.01 2.05 -0.21 1.20 0.40 -1.26 -1.46 117.98 114.69 1ogt s PHE 22 Ca 0.14 -0.53 -0.11 0.00 -0.60 0.00 0.00 56.93 55.82 1ogt s PHE 22 Cb -0.03 -1.35 -0.05 0.00 0.51 0.00 0.00 43.02 42.11 1ogt s PHE 22 CO 0.10 -0.14 0.20 -1.17 0.70 0.00 0.00 175.22 174.91 1ogt s LEU 23 N -0.21 4.16 -0.05 -0.37 2.96 0.13 -1.36 118.68 123.94 1ogt s LEU 23 Ca 0.00 0.25 0.06 0.00 -0.22 0.00 0.00 54.13 54.22 1ogt s LEU 23 Cb -0.11 -2.19 -0.02 0.00 0.50 0.00 0.00 46.19 44.37 1ogt s LEU 23 CO 0.02 0.08 -0.22 0.20 -1.32 0.00 0.00 176.35 175.11 1ogt s ASN 24 N 0.78 3.37 -0.21 3.68 0.01 0.44 -1.78 114.94 121.23 1ogt s ASN 24 Ca 0.10 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.85 1ogt s ASN 24 Cb -0.13 -0.71 0.05 0.00 0.41 0.00 0.00 41.25 40.87 1ogt s ASN 24 CO 0.03 0.29 -0.07 0.00 -1.51 0.00 0.00 177.10 175.84 1ogt s TYR 26 N 1.44 3.19 -0.13 0.00 5.04 -0.10 -1.08 117.35 125.71 1ogt s TYR 26 Ca -0.03 -0.32 -0.02 0.00 -2.44 0.00 0.00 57.07 54.26 1ogt s TYR 26 Cb -0.17 -2.37 -0.02 0.00 0.35 0.00 0.00 41.96 39.74 1ogt s TYR 26 CO -0.07 -0.36 -0.07 0.14 -1.34 0.00 0.00 175.55 173.85 1ogt s VAL 27 N 1.67 3.64 0.19 3.14 -7.23 -0.38 -1.43 120.40 120.00 1ogt s VAL 27 Ca 0.06 -0.46 -0.10 0.00 -1.81 0.00 0.00 61.98 59.66 1ogt s VAL 27 Cb -0.17 -2.56 -0.01 0.00 0.56 0.00 0.00 36.38 34.21 1ogt s VAL 27 CO 0.08 0.52 0.34 -0.94 -0.31 0.00 0.00 175.10 174.79 1ogt s SER 28 N 0.14 -0.02 -0.78 4.85 1.04 -0.73 -1.10 113.70 117.11 1ogt s SER 28 Ca -0.03 -0.87 0.00 0.00 0.48 0.00 0.00 55.95 55.53 1ogt s SER 28 Cb -0.14 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.46 1ogt s SER 28 CO 0.03 -0.96 0.00 0.61 0.98 0.00 0.00 173.24 173.90 1ogt n GLY 29 N -0.27 0.87 3.66 7.32 0.00 -0.29 -0.64 105.19 115.85 1ogt n GLY 29 Ca -0.06 -0.70 -0.27 0.00 0.00 0.00 0.00 46.02 45.00 1ogt n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1ogt s PHE 30 N -2.29 2.84 -0.24 1.61 -0.71 -1.19 -4.47 117.98 113.54 1ogt s PHE 30 Ca 0.00 -0.14 -0.18 0.00 -1.04 0.00 0.00 56.93 55.57 1ogt s PHE 30 Cb 0.00 -1.37 0.07 0.00 -1.21 0.00 0.00 43.02 40.50 1ogt s PHE 30 CO 0.00 0.52 0.61 -1.58 -1.34 0.00 0.00 175.22 173.43 1ogt s HIS 31 N -1.73 -0.79 1.08 3.49 2.46 -0.47 -1.33 115.29 117.99 1ogt s HIS 31 Ca 0.27 1.75 -0.18 0.00 0.47 0.00 0.00 55.06 57.37 1ogt s HIS 31 Cb -0.09 0.37 0.26 0.00 -0.13 0.00 0.00 32.58 32.99 1ogt s HIS 31 CO 0.18 -0.39 1.17 -0.35 -2.47 0.00 0.00 174.74 172.88 1ogt n PRO 32 N 3.49 -2.25 0.20 2.88 -0.04 -1.26 -0.80 135.00 137.22 1ogt n PRO 32 Ca -0.17 -1.83 0.13 0.00 -0.04 0.00 0.00 63.50 61.58 1ogt n PRO 32 Cb 0.57 -1.47 0.28 0.00 -0.04 0.00 0.00 33.50 32.84 1ogt n PRO 32 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 1ogt h SER 33 N -2.23 0.00 -2.77 3.54 4.64 -1.99 -3.45 113.55 111.29 1ogt h SER 33 Ca -0.41 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.38 1ogt h SER 33 Cb 1.19 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 63.30 1ogt h SER 33 CO 0.28 0.00 0.93 -1.81 -0.87 0.00 0.00 176.83 175.35 1ogt s ASP 34 N -5.73 6.67 -0.04 4.97 1.11 -1.26 -4.98 116.67 117.41 1ogt s ASP 34 Ca 0.07 2.41 -0.25 0.00 0.18 0.00 0.00 52.55 54.97 1ogt s ASP 34 Cb 0.07 -2.57 0.05 0.00 1.07 0.00 0.00 42.92 41.55 1ogt s ASP 34 CO 0.63 -0.83 0.54 -0.51 1.18 0.00 0.00 175.17 176.19 1ogt s ILE 35 N 2.27 0.02 -0.14 0.77 2.07 -1.26 -4.62 121.20 120.31 1ogt s ILE 35 Ca 0.71 -0.17 0.02 0.00 -1.41 0.00 0.00 60.65 59.79 1ogt s ILE 35 Cb -0.38 -0.86 0.00 0.00 0.13 0.00 0.00 42.46 41.35 1ogt s ILE 35 CO 0.31 -0.09 -0.20 -0.70 -1.91 0.00 0.00 174.94 172.35 1ogt s GLU 36 N -1.21 3.11 -0.05 3.50 2.12 -0.45 -5.00 118.70 120.71 1ogt s GLU 36 Ca -0.12 -0.82 0.02 0.00 0.36 0.00 0.00 54.97 54.41 1ogt s GLU 36 Cb -0.02 -2.48 0.02 0.00 0.26 0.00 0.00 34.13 31.90 1ogt s GLU 36 CO 0.08 0.04 -0.09 0.08 -0.54 0.00 0.00 175.26 174.83 1ogt s VAL 37 N 0.71 0.87 0.05 3.70 1.01 -1.26 -1.02 120.40 124.47 1ogt s VAL 37 Ca -0.09 -0.33 0.08 0.00 0.00 0.00 0.00 61.98 61.65 1ogt s VAL 37 Cb -0.16 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1ogt s VAL 37 CO 0.01 0.30 -0.23 -1.81 0.00 0.00 0.00 175.10 173.36 1ogt s ASP 38 N 0.74 2.80 -0.13 3.32 1.01 -0.19 -4.98 116.67 119.24 1ogt s ASP 38 Ca -0.13 -0.56 -0.08 0.00 0.71 0.00 0.00 52.55 52.49 1ogt s ASP 38 Cb -0.15 -0.24 -0.04 0.00 1.01 0.00 0.00 42.92 43.50 1ogt s ASP 38 CO 0.02 0.20 0.14 -0.76 0.21 0.00 0.00 175.17 174.98 1ogt s LEU 39 N -1.24 4.36 -0.06 1.23 1.43 -1.26 -0.73 118.68 122.40 1ogt s LEU 39 Ca 0.10 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.68 1ogt s LEU 39 Cb -0.09 -2.08 -0.02 0.00 0.03 0.00 0.00 46.19 44.03 1ogt s LEU 39 CO 0.02 0.37 -0.22 -0.76 0.23 0.00 0.00 176.35 175.99 1ogt s LEU 40 N -0.80 2.27 -0.20 1.79 1.43 -0.02 -0.95 118.68 122.19 1ogt s LEU 40 Ca 0.14 -0.42 -0.01 0.00 -1.03 0.00 0.00 54.13 52.81 1ogt s LEU 40 Cb -0.12 -1.43 0.01 0.00 0.03 0.00 0.00 46.19 44.69 1ogt s LEU 40 CO 0.03 0.27 -0.13 -0.75 0.23 0.00 0.00 176.35 176.00 1ogt s LYS 41 N -0.29 3.05 -1.66 1.70 2.20 -0.06 -1.87 119.74 122.81 1ogt s LYS 41 Ca 0.01 -0.81 -0.09 0.00 -0.36 0.00 0.00 55.97 54.71 1ogt s LYS 41 Cb -0.13 -2.77 0.09 0.00 -1.51 0.00 0.00 37.83 33.52 1ogt s LYS 41 CO 0.03 -0.25 0.30 0.09 -0.36 0.00 0.00 175.35 175.15 1ogt n ASN 42 N 4.67 -0.40 0.00 1.43 3.02 0.11 -1.54 115.26 122.55 1ogt n ASN 42 Ca -0.19 -1.22 0.00 0.00 -0.03 0.00 0.00 54.58 53.13 1ogt n ASN 42 Cb 0.49 -1.82 0.00 0.00 -0.61 0.00 0.00 39.78 37.85 1ogt n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ogt n GLY 43 N -1.94 1.89 3.75 7.41 0.00 -1.26 -5.03 105.19 110.01 1ogt n GLY 43 Ca -0.15 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1ogt n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ogt s GLU 44 N -0.58 3.12 0.07 1.61 0.41 -0.59 -4.99 118.70 117.76 1ogt s GLU 44 Ca 0.00 -0.34 -0.31 0.00 -0.41 0.00 0.00 54.97 53.92 1ogt s GLU 44 Cb 0.00 -2.92 -0.09 0.00 -1.78 0.00 0.00 34.13 29.35 1ogt s GLU 44 CO 0.00 0.72 1.72 0.50 -0.49 0.00 0.00 175.26 177.71 1ogt s ARG 45 N -1.04 4.18 0.14 1.61 3.52 -1.26 -0.88 118.95 125.20 1ogt s ARG 45 Ca 0.15 2.41 -0.30 0.00 -0.13 0.00 0.00 55.73 57.86 1ogt s ARG 45 Cb -0.12 -3.67 -0.07 0.00 -1.56 0.00 0.00 34.95 29.53 1ogt s ARG 45 CO 0.04 -0.79 1.23 0.42 -0.81 0.00 0.00 175.30 175.39 1ogt s ILE 46 N 2.90 3.67 0.44 4.11 1.01 -0.13 -4.90 121.20 128.31 1ogt s ILE 46 Ca 0.77 1.31 -0.21 0.00 0.00 0.00 0.00 60.65 62.52 1ogt s ILE 46 Cb -0.41 -3.83 -0.11 0.00 0.01 0.00 0.00 42.46 38.12 1ogt s ILE 46 CO 0.34 0.16 0.96 -1.61 0.00 0.00 0.00 174.94 174.78 1ogt s GLU 47 N 0.37 4.19 -1.38 2.79 2.02 -1.26 -4.35 118.70 121.07 1ogt s GLU 47 Ca 0.56 1.11 0.00 0.00 0.02 0.00 0.00 54.97 56.66 1ogt s GLU 47 Cb -0.32 -2.17 0.00 0.00 0.10 0.00 0.00 34.13 31.73 1ogt s GLU 47 CO 0.33 -0.06 0.00 1.63 0.02 0.00 0.00 175.26 177.18 1ogt n LYS 48 N -0.74 -1.15 -1.82 1.61 5.02 -1.26 -4.97 118.16 114.85 1ogt n LYS 48 Ca 0.07 0.82 -0.41 0.00 -2.02 0.00 0.00 58.31 56.77 1ogt n LYS 48 Cb 0.54 -5.09 -0.01 0.00 -0.02 0.00 0.00 35.03 30.45 1ogt n LYS 48 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ogt s VAL 49 N -2.69 2.13 0.27 -0.18 1.01 -1.26 -5.00 120.40 114.67 1ogt s VAL 49 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 61.98 62.16 1ogt s VAL 49 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 36.38 33.28 1ogt s VAL 49 CO 0.00 0.02 0.32 -1.61 0.00 0.00 0.00 175.10 173.83 1ogt s GLU 50 N -1.32 3.16 0.05 2.72 2.02 -0.67 -4.94 118.70 119.72 1ogt s GLU 50 Ca 0.57 -0.94 -0.06 0.00 0.02 0.00 0.00 54.97 54.55 1ogt s GLU 50 Cb -0.46 -2.73 -0.01 0.00 0.10 0.00 0.00 34.13 31.02 1ogt s GLU 50 CO 0.55 0.33 0.12 -3.38 0.02 0.00 0.00 175.26 172.90 1ogt s HIS 51 N -2.09 0.20 0.94 1.61 -3.43 -1.26 -1.12 115.29 110.13 1ogt s HIS 51 Ca 0.36 -0.54 -0.12 0.00 -0.80 0.00 0.00 55.06 53.96 1ogt s HIS 51 Cb -0.08 -0.13 0.15 0.00 -1.43 0.00 0.00 32.58 31.09 1ogt s HIS 51 CO 0.28 -0.42 1.09 -1.54 -2.00 0.00 0.00 174.74 172.15 1ogt s SER 52 N -2.36 3.11 0.07 7.38 1.04 -0.15 -5.00 113.70 117.79 1ogt s SER 52 Ca -0.02 1.42 -0.27 0.00 0.48 0.00 0.00 55.95 57.57 1ogt s SER 52 Cb 0.01 -2.10 -0.06 0.00 0.10 0.00 0.00 66.02 63.98 1ogt s SER 52 CO -0.06 -2.86 0.84 -1.81 0.98 0.00 0.00 173.24 170.33 1ogt s ASP 53 N -3.37 7.33 -0.12 7.02 1.01 -1.26 -4.79 116.67 122.49 1ogt s ASP 53 Ca 0.64 1.59 -0.40 0.00 0.71 0.00 0.00 52.55 55.10 1ogt s ASP 53 Cb -0.19 -2.52 -0.17 0.00 1.01 0.00 0.00 42.92 41.06 1ogt s ASP 53 CO 0.57 -0.01 1.48 -0.11 0.21 0.00 0.00 175.17 177.31 1ogt n LEU 54 N 2.76 1.64 0.00 1.23 7.94 -1.26 -4.96 117.00 124.35 1ogt n LEU 54 Ca -0.01 1.12 -0.17 0.00 -1.11 0.00 0.00 56.01 55.84 1ogt n LEU 54 Cb 0.50 -1.10 -0.06 0.00 0.53 0.00 0.00 43.42 43.28 1ogt n LEU 54 CO 0.49 -0.92 -0.06 -0.24 -1.11 0.00 0.00 177.39 175.55 1ogt n SER 55 N 3.58 -0.69 -3.83 1.96 2.88 -1.23 -5.06 113.62 111.24 1ogt n SER 55 Ca 0.23 -2.90 -0.10 0.00 -1.33 0.00 0.00 58.87 54.77 1ogt n SER 55 Cb 0.13 1.56 -0.07 0.00 -0.75 0.00 0.00 64.21 65.07 1ogt n SER 55 CO 0.00 0.00 0.00 0.72 -1.23 0.00 0.00 175.04 174.53 1ogt s PHE 56 N -3.19 0.07 0.74 0.66 -0.12 -1.26 -1.88 117.98 113.01 1ogt s PHE 56 Ca 0.34 -0.40 -0.06 0.00 -0.05 0.00 0.00 56.93 56.77 1ogt s PHE 56 Cb 0.01 -0.02 0.11 0.00 -0.63 0.00 0.00 43.02 42.50 1ogt s PHE 56 CO 0.24 -0.51 1.04 -1.12 -0.05 0.00 0.00 175.22 174.82 1ogt s SER 57 N -2.52 4.38 0.39 1.98 0.01 -0.02 -4.94 113.70 112.97 1ogt s SER 57 Ca 0.01 0.09 0.11 0.00 1.31 0.00 0.00 55.95 57.47 1ogt s SER 57 Cb 0.02 -0.56 0.90 0.00 0.21 0.00 0.00 66.02 66.59 1ogt s SER 57 CO -0.08 -1.86 1.91 0.11 0.41 0.00 0.00 173.24 173.73 1ogt h LYS 58 N -0.70 0.57 -0.00 12.44 1.57 -2.02 -0.04 116.57 128.38 1ogt h LYS 58 Ca -0.41 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.33 1ogt h LYS 58 Cb 1.28 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 33.46 1ogt h LYS 58 CO 0.48 0.38 0.00 -0.40 -0.57 0.00 0.00 179.45 179.34 1ogt n ASP 59 N -4.51 0.01 0.00 0.86 5.68 -1.26 -4.89 116.55 112.44 1ogt n ASP 59 Ca 0.15 -1.86 0.00 0.00 -0.50 0.00 0.00 54.79 52.58 1ogt n ASP 59 Cb 0.45 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.43 1ogt n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 1ogt n TRP 60 N -0.56 0.00 -2.19 2.11 7.02 -0.03 -5.02 117.44 118.76 1ogt n TRP 60 Ca 0.03 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.15 1ogt n TRP 60 Cb 0.02 -0.03 0.01 0.00 -2.42 0.00 0.00 31.31 28.88 1ogt n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1ogt s SER 61 N -3.88 5.74 0.38 -0.99 1.04 -1.26 -4.65 113.70 110.07 1ogt s SER 61 Ca 0.00 2.29 -0.05 0.00 0.48 0.00 0.00 55.95 58.66 1ogt s SER 61 Cb 0.00 -2.59 -0.05 0.00 0.10 0.00 0.00 66.02 63.48 1ogt s SER 61 CO 0.00 -1.21 0.66 -0.36 0.98 0.00 0.00 173.24 173.31 1ogt s PHE 62 N -1.64 3.50 -0.01 5.02 0.08 -0.44 -0.84 117.98 123.65 1ogt s PHE 62 Ca 0.71 0.73 -0.09 0.00 0.12 0.00 0.00 56.93 58.39 1ogt s PHE 62 Cb -0.27 -2.20 0.01 0.00 -0.57 0.00 0.00 43.02 39.99 1ogt s PHE 62 CO 0.32 -0.02 0.19 1.52 -0.10 0.00 0.00 175.22 177.13 1ogt s TYR 63 N -2.36 -0.04 -0.02 0.36 -0.85 -0.79 -1.14 117.35 112.51 1ogt s TYR 63 Ca 0.46 0.02 -0.06 0.00 -0.52 0.00 0.00 57.07 56.96 1ogt s TYR 63 Cb -0.10 0.00 0.01 0.00 0.38 0.00 0.00 41.96 42.24 1ogt s TYR 63 CO 0.35 -0.31 0.14 -0.51 -1.52 0.00 0.00 175.55 173.71 1ogt s LEU 64 N -1.29 1.51 -0.18 -3.49 1.43 -0.26 -3.47 118.68 112.93 1ogt s LEU 64 Ca -0.14 -0.02 -0.03 0.00 -1.03 0.00 0.00 54.13 52.92 1ogt s LEU 64 Cb -0.07 0.61 -0.01 0.00 0.03 0.00 0.00 46.19 46.76 1ogt s LEU 64 CO 0.02 -0.25 -0.07 -0.22 0.23 0.00 0.00 176.35 176.06 1ogt s LEU 65 N -0.85 2.89 -0.09 1.79 2.96 -1.26 -1.24 118.68 122.87 1ogt s LEU 65 Ca -0.09 -0.34 -0.02 0.00 -0.22 0.00 0.00 54.13 53.46 1ogt s LEU 65 Cb -0.05 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.90 1ogt s LEU 65 CO 0.01 0.06 0.01 -0.31 -1.32 0.00 0.00 176.35 174.80 1ogt s TYR 66 N 0.99 3.18 0.01 5.38 1.51 -0.24 -0.98 117.35 127.20 1ogt s TYR 66 Ca -0.00 0.19 -0.22 0.00 -1.01 0.00 0.00 57.07 56.02 1ogt s TYR 66 Cb -0.15 -1.81 0.05 0.00 -0.11 0.00 0.00 41.96 39.94 1ogt s TYR 66 CO -0.00 0.45 0.50 1.52 -1.11 0.00 0.00 175.55 176.91 1ogt s TYR 67 N -0.80 -0.40 0.00 2.71 1.13 -0.28 -0.38 117.35 119.33 1ogt s TYR 67 Ca 0.12 0.54 -0.20 0.00 -1.41 0.00 0.00 57.07 56.12 1ogt s TYR 67 Cb -0.11 0.29 0.04 0.00 -1.10 0.00 0.00 41.96 41.07 1ogt s TYR 67 CO 0.02 -0.57 0.45 -0.08 -2.51 0.00 0.00 175.55 172.86 1ogt s THR 68 N -1.93 0.04 0.39 -3.49 -1.32 -0.73 -1.67 115.64 106.94 1ogt s THR 68 Ca -0.08 -0.34 -0.26 0.00 -1.21 0.00 0.00 61.69 59.79 1ogt s THR 68 Cb -0.01 -0.84 -0.09 0.00 -1.51 0.00 0.00 72.50 70.05 1ogt s THR 68 CO 0.02 -0.19 1.30 -1.61 -2.21 0.00 0.00 174.62 171.93 1ogt s GLU 69 N -1.75 4.03 0.03 7.08 2.02 -1.26 -0.70 118.70 128.16 1ogt s GLU 69 Ca -0.10 2.16 -0.24 0.00 0.02 0.00 0.00 54.97 56.81 1ogt s GLU 69 Cb -0.02 -2.80 0.06 0.00 0.10 0.00 0.00 34.13 31.46 1ogt s GLU 69 CO 0.03 -0.44 0.55 -0.59 0.02 0.00 0.00 175.26 174.83 1ogt s PHE 70 N -1.25 -0.48 -0.37 1.61 -0.71 -0.54 -4.81 117.98 111.43 1ogt s PHE 70 Ca 0.56 0.61 0.02 0.00 -1.04 0.00 0.00 56.93 57.07 1ogt s PHE 70 Cb -0.38 0.36 0.11 0.00 -1.21 0.00 0.00 43.02 41.90 1ogt s PHE 70 CO 0.49 -0.64 0.11 0.99 -1.34 0.00 0.00 175.22 174.83 1ogt s THR 71 N -2.19 2.58 0.58 -4.49 2.01 -1.26 -0.61 115.64 112.26 1ogt s THR 71 Ca -0.07 -2.33 -0.20 0.00 0.31 0.00 0.00 61.69 59.40 1ogt s THR 71 Cb -0.01 -2.86 -0.04 0.00 0.01 0.00 0.00 72.50 69.61 1ogt s THR 71 CO 0.01 -0.64 1.32 -2.16 -0.69 0.00 0.00 174.62 172.46 1ogt s PRO 72 N 0.89 2.96 0.38 4.92 0.04 -1.26 -4.75 135.00 138.18 1ogt s PRO 72 Ca 0.11 2.14 0.05 0.00 0.04 0.00 0.00 61.00 63.33 1ogt s PRO 72 Cb -0.20 -2.11 -0.03 0.00 0.04 0.00 0.00 34.50 32.20 1ogt s PRO 72 CO -0.07 -1.30 0.17 0.95 0.04 0.00 0.00 177.00 176.80 1ogt s THR 73 N -1.36 0.40 0.24 1.26 -4.23 -1.26 -1.14 115.64 109.54 1ogt s THR 73 Ca 0.75 -2.00 -0.05 0.00 -1.18 0.00 0.00 61.69 59.22 1ogt s THR 73 Cb -0.38 -2.40 0.13 0.00 1.34 0.00 0.00 72.50 71.19 1ogt s THR 73 CO 0.44 0.00 1.76 -0.08 -0.54 0.00 0.00 174.62 176.20 1ogt h GLU 74 N 1.92 0.98 0.02 3.99 4.57 -1.97 -3.35 114.58 120.73 1ogt h GLU 74 Ca -0.32 -0.23 -0.35 0.00 -1.18 0.00 0.00 59.36 57.29 1ogt h GLU 74 Cb 1.26 -0.13 -0.05 0.00 -0.16 0.00 0.00 28.75 29.66 1ogt h GLU 74 CO 0.51 0.88 -2.12 0.36 -1.18 0.00 0.00 179.01 177.46 1ogt n LYS 75 N -4.24 0.68 -2.21 1.92 2.85 -1.26 -4.94 118.16 110.96 1ogt n LYS 75 Ca 0.04 0.17 -0.41 0.00 -1.05 0.00 0.00 58.31 57.06 1ogt n LYS 75 Cb 0.25 -1.64 -0.03 0.00 -0.65 0.00 0.00 35.03 32.96 1ogt n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1ogt s ASP 76 N -6.14 6.89 -0.13 -5.58 1.01 -1.26 -5.02 116.67 106.45 1ogt s ASP 76 Ca -0.15 2.50 -0.02 0.00 0.71 0.00 0.00 52.55 55.59 1ogt s ASP 76 Cb 0.07 -2.63 -0.03 0.00 1.01 0.00 0.00 42.92 41.35 1ogt s ASP 76 CO 0.78 -0.48 -0.05 -1.61 0.21 0.00 0.00 175.17 174.01 1ogt s GLU 77 N -0.94 3.38 0.12 8.23 2.02 -1.26 -4.72 118.70 125.52 1ogt s GLU 77 Ca 0.52 -0.54 0.09 0.00 0.02 0.00 0.00 54.97 55.06 1ogt s GLU 77 Cb -0.37 -2.80 -0.04 0.00 0.10 0.00 0.00 34.13 31.02 1ogt s GLU 77 CO 0.44 0.37 -0.21 0.71 0.02 0.00 0.00 175.26 176.59 1ogt s TYR 78 N -0.00 1.88 0.22 1.61 2.02 -1.26 0.05 117.35 121.88 1ogt s TYR 78 Ca 0.00 -0.42 -0.17 0.00 -0.37 0.00 0.00 57.07 56.11 1ogt s TYR 78 Cb -0.13 -1.01 0.02 0.00 -0.40 0.00 0.00 41.96 40.44 1ogt s TYR 78 CO 0.03 0.26 0.54 0.00 -1.57 0.00 0.00 175.55 174.81 1ogt s ALA 79 N -1.35 -0.81 -0.07 3.71 0.00 -0.78 -0.73 121.76 121.74 1ogt s ALA 79 Ca 0.10 -0.40 0.05 0.00 0.00 0.00 0.00 51.96 51.71 1ogt s ALA 79 Cb -0.09 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.93 1ogt s ALA 79 CO 0.05 -0.86 -0.23 0.00 0.00 0.00 0.00 175.76 174.72 1ogt s ARG 81 N 0.01 3.18 -0.10 0.00 3.52 0.09 -1.14 118.95 124.52 1ogt s ARG 81 Ca -0.08 -0.76 0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1ogt s ARG 81 Cb -0.15 -2.64 0.00 0.00 -1.56 0.00 0.00 34.95 30.61 1ogt s ARG 81 CO 0.05 -0.04 -0.20 0.08 -0.81 0.00 0.00 175.30 174.37 1ogt s VAL 82 N 0.95 1.80 0.09 7.11 1.01 0.28 -1.02 120.40 130.62 1ogt s VAL 82 Ca -0.03 -0.86 0.10 0.00 0.00 0.00 0.00 61.98 61.19 1ogt s VAL 82 Cb -0.15 -1.58 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 1ogt s VAL 82 CO -0.02 0.50 -0.26 0.21 0.00 0.00 0.00 175.10 175.53 1ogt s ASN 83 N 0.49 3.15 0.13 3.32 2.47 -0.19 -0.90 114.94 123.42 1ogt s ASN 83 Ca -0.16 -0.67 -0.22 0.00 0.42 0.00 0.00 52.86 52.23 1ogt s ASN 83 Cb -0.17 -0.24 0.06 0.00 -1.45 0.00 0.00 41.25 39.45 1ogt s ASN 83 CO 0.06 0.20 0.55 -2.28 -3.72 0.00 0.00 177.10 171.92 1ogt s HIS 84 N -0.94 -0.46 0.51 0.43 5.65 -1.26 -1.34 115.29 117.87 1ogt s HIS 84 Ca 0.12 0.28 0.24 0.00 0.25 0.00 0.00 55.06 55.95 1ogt s HIS 84 Cb -0.10 0.46 1.48 0.00 -1.18 0.00 0.00 32.58 33.24 1ogt s HIS 84 CO 0.04 -0.78 2.15 -0.24 -0.65 0.00 0.00 174.74 175.25 1ogt h VAL 85 N 2.21 0.75 0.00 0.89 3.04 -1.95 -1.10 116.25 120.08 1ogt h VAL 85 Ca -0.33 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.12 1ogt h VAL 85 Cb 1.28 1.14 0.00 0.00 -2.01 0.00 0.00 31.29 31.70 1ogt h VAL 85 CO 0.40 0.06 0.00 0.35 -1.01 0.00 0.00 177.57 177.37 1ogt n THR 86 N -4.03 0.74 -4.29 3.17 -2.24 -1.26 -4.78 114.28 101.60 1ogt n THR 86 Ca -0.03 0.19 -0.34 0.00 -2.27 0.00 0.00 64.05 61.60 1ogt n THR 86 Cb 0.15 -0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 67.39 1ogt n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1ogt s LEU 87 N -2.98 3.46 0.35 3.22 1.43 -0.42 -5.00 118.68 118.74 1ogt s LEU 87 Ca 0.09 -0.02 0.24 0.00 -1.03 0.00 0.00 54.13 53.41 1ogt s LEU 87 Cb 0.12 -1.84 0.47 0.00 0.03 0.00 0.00 46.19 44.97 1ogt s LEU 87 CO 0.33 0.21 1.63 0.77 0.23 0.00 0.00 176.35 179.52 1ogt h SER 88 N 6.43 0.00 -5.14 2.29 4.64 -1.86 -3.44 113.55 116.47 1ogt h SER 88 Ca -0.36 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.90 1ogt h SER 88 Cb 1.18 0.00 -0.12 0.00 -0.31 0.00 0.00 62.40 63.16 1ogt h SER 88 CO 0.64 0.00 -0.13 0.00 -0.87 0.00 0.00 176.83 176.47 1ogt s GLN 89 N -3.18 1.19 0.36 4.77 -2.07 -1.26 -5.14 119.66 114.33 1ogt s GLN 89 Ca 0.08 -0.92 -0.29 0.00 -1.82 0.00 0.00 55.36 52.42 1ogt s GLN 89 Cb 0.08 0.45 -0.11 0.00 -1.09 0.00 0.00 33.01 32.34 1ogt s GLN 89 CO 0.65 -0.47 1.53 -2.14 -1.32 0.00 0.00 175.29 173.54 1ogt s PRO 90 N -3.88 4.10 -0.19 9.60 0.02 -1.26 -4.93 135.00 138.46 1ogt s PRO 90 Ca 0.09 2.60 -0.12 0.00 0.02 0.00 0.00 61.00 63.58 1ogt s PRO 90 Cb 0.01 -2.98 -0.05 0.00 0.02 0.00 0.00 34.50 31.51 1ogt s PRO 90 CO -0.05 -0.58 0.24 0.21 -0.33 0.00 0.00 177.00 176.49 1ogt s LYS 91 N -1.69 4.20 -0.19 5.54 2.20 -0.08 -4.91 119.74 124.82 1ogt s LYS 91 Ca 0.56 -0.04 -0.04 0.00 -0.36 0.00 0.00 55.97 56.09 1ogt s LYS 91 Cb -0.47 -3.45 -0.02 0.00 -1.51 0.00 0.00 37.83 32.37 1ogt s LYS 91 CO 0.60 0.20 -0.02 0.42 -0.36 0.00 0.00 175.35 176.19 1ogt s ILE 92 N 0.61 3.87 -0.19 5.43 1.01 -1.26 -0.56 121.20 130.11 1ogt s ILE 92 Ca 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 60.65 60.43 1ogt s ILE 92 Cb -0.13 -2.73 0.01 0.00 0.01 0.00 0.00 42.46 39.63 1ogt s ILE 92 CO 0.03 0.45 -0.15 -0.69 0.00 0.00 0.00 174.94 174.57 1ogt s VAL 93 N 0.84 2.46 0.29 2.92 1.01 -0.29 -4.99 120.40 122.65 1ogt s VAL 93 Ca -0.00 -0.80 -0.28 0.00 0.00 0.00 0.00 61.98 60.89 1ogt s VAL 93 Cb -0.14 -2.06 -0.09 0.00 0.00 0.00 0.00 36.38 34.08 1ogt s VAL 93 CO 0.02 0.50 1.01 -0.54 0.00 0.00 0.00 175.10 176.09 1ogt s LYS 94 N 1.33 4.63 0.05 2.72 1.02 -1.26 -0.79 119.74 127.44 1ogt s LYS 94 Ca 0.05 1.56 -0.30 0.00 0.02 0.00 0.00 55.97 57.29 1ogt s LYS 94 Cb -0.13 -3.04 -0.08 0.00 -0.52 0.00 0.00 37.83 34.06 1ogt s LYS 94 CO -0.10 0.27 1.63 -0.46 -0.92 0.00 0.00 175.35 175.77 1ogt s TRP 95 N -1.34 2.41 -0.18 3.18 -0.00 0.09 -4.88 118.94 118.22 1ogt s TRP 95 Ca 0.46 0.35 0.01 0.00 -0.00 0.00 0.00 56.10 56.93 1ogt s TRP 95 Cb -0.26 -3.93 0.03 0.00 -0.00 0.00 0.00 33.47 29.32 1ogt s TRP 95 CO 0.32 -3.72 -0.13 0.34 -0.00 0.00 0.00 176.95 173.76 1ogt s ASP 96 N 2.47 3.19 0.14 5.86 -1.08 -1.26 -4.75 116.67 121.24 1ogt s ASP 96 Ca 0.73 -0.75 0.15 0.00 -0.52 0.00 0.00 52.55 52.15 1ogt s ASP 96 Cb -0.38 -1.27 0.68 0.00 -1.46 0.00 0.00 42.92 40.49 1ogt s ASP 96 CO 0.31 -0.10 1.45 -2.11 0.52 0.00 0.00 175.17 175.25 1ogt n ARG 97 N 4.69 0.08 -0.15 4.34 1.85 -1.26 -1.68 116.66 124.54 1ogt n ARG 97 Ca -0.16 0.44 0.10 0.00 -1.00 0.00 0.00 57.85 57.23 1ogt n ARG 97 Cb 0.48 -1.70 0.29 0.00 -1.05 0.00 0.00 32.46 30.48 1ogt n ARG 97 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 1ogt n ASP 98 N -1.86 2.28 0.00 2.89 8.00 -1.26 -4.91 116.55 121.69 1ogt n ASP 98 Ca 0.01 -1.85 0.00 0.00 0.71 0.00 0.00 54.79 53.66 1ogt n ASP 98 Cb 0.11 -0.19 0.00 0.00 -0.02 0.00 0.00 41.12 41.02 1ogt n ASP 98 CO 0.00 0.00 0.00 0.23 -0.39 0.00 0.00 177.20 177.04