#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7u s ILE 1 N 0.00 4.41 -0.04 3.17 2.07 -1.26 -5.06 121.20 124.49 2c7u s ILE 1 Ca 0.00 1.50 -0.01 0.00 -1.41 0.00 0.00 60.65 60.73 2c7u s ILE 1 Cb 0.00 -3.88 0.03 0.00 0.13 0.00 0.00 42.46 38.74 2c7u s ILE 1 CO 0.00 0.10 0.07 -1.10 -1.91 0.00 0.00 174.94 172.10 2c7u s GLN 2 N -2.19 -0.03 -0.03 3.50 -0.21 -1.26 -4.48 119.66 114.96 2c7u s GLN 2 Ca 0.48 0.30 0.05 0.00 0.02 0.00 0.00 55.36 56.22 2c7u s GLN 2 Cb -0.16 -0.32 -0.03 0.00 1.00 0.00 0.00 33.01 33.51 2c7u s GLN 2 CO 0.21 -0.23 -0.18 1.03 -2.12 0.00 0.00 175.29 174.00 2c7u s ARG 3 N 1.50 2.32 0.08 2.91 0.52 0.61 -4.92 118.95 121.97 2c7u s ARG 3 Ca -0.04 -0.81 -0.25 0.00 -0.52 0.00 0.00 55.73 54.12 2c7u s ARG 3 Cb -0.12 -2.25 -0.06 0.00 0.52 0.00 0.00 34.95 33.03 2c7u s ARG 3 CO -0.04 0.59 0.75 0.99 0.02 0.00 0.00 175.30 177.62 2c7u s THR 4 N -0.73 4.63 0.30 0.02 2.01 -1.26 -2.08 115.64 118.53 2c7u s THR 4 Ca 0.11 1.61 -0.30 0.00 0.31 0.00 0.00 61.69 63.43 2c7u s THR 4 Cb -0.10 -4.10 -0.11 0.00 0.01 0.00 0.00 72.50 68.19 2c7u s THR 4 CO 0.01 0.43 1.59 -2.16 -0.69 0.00 0.00 174.62 173.79 2c7u s PRO 5 N -0.46 4.11 0.16 4.92 0.04 -1.26 -4.28 135.00 138.23 2c7u s PRO 5 Ca 0.37 2.59 -0.22 0.00 0.04 0.00 0.00 61.00 63.77 2c7u s PRO 5 Cb -0.21 -3.01 -0.08 0.00 0.04 0.00 0.00 34.50 31.24 2c7u s PRO 5 CO 0.23 -0.63 0.71 0.15 0.04 0.00 0.00 177.00 177.50 2c7u s LYS 6 N -0.71 4.38 -0.07 4.56 1.02 -0.05 -4.92 119.74 123.95 2c7u s LYS 6 Ca 0.62 0.96 0.02 0.00 0.02 0.00 0.00 55.97 57.60 2c7u s LYS 6 Cb -0.48 -3.14 0.01 0.00 -0.52 0.00 0.00 37.83 33.70 2c7u s LYS 6 CO 0.50 0.54 -0.14 0.42 -0.92 0.00 0.00 175.35 175.75 2c7u s ILE 7 N -1.25 1.27 -0.07 2.17 1.01 -1.26 -2.12 121.20 120.95 2c7u s ILE 7 Ca 0.36 -0.55 0.02 0.00 0.00 0.00 0.00 60.65 60.48 2c7u s ILE 7 Cb -0.20 -1.15 0.01 0.00 0.01 0.00 0.00 42.46 41.13 2c7u s ILE 7 CO 0.23 0.39 -0.13 -1.10 0.00 0.00 0.00 174.94 174.32 2c7u s GLN 8 N 0.65 1.79 -0.17 2.79 -0.21 -0.71 -5.01 119.66 118.78 2c7u s GLN 8 Ca -0.15 -0.44 -0.03 0.00 0.02 0.00 0.00 55.36 54.76 2c7u s GLN 8 Cb -0.16 -1.46 -0.02 0.00 1.00 0.00 0.00 33.01 32.37 2c7u s GLN 8 CO 0.04 0.04 -0.06 0.08 -2.12 0.00 0.00 175.29 173.27 2c7u s VAL 9 N 0.64 3.53 0.12 1.09 1.01 -1.26 -1.55 120.40 123.98 2c7u s VAL 9 Ca -0.15 -0.47 -0.25 0.00 0.00 0.00 0.00 61.98 61.11 2c7u s VAL 9 Cb -0.16 -2.55 0.07 0.00 0.00 0.00 0.00 36.38 33.74 2c7u s VAL 9 CO 0.04 0.47 0.75 -0.72 0.00 0.00 0.00 175.10 175.64 2c7u s TYR 10 N 0.77 -0.39 0.17 5.22 1.13 -0.70 -4.56 117.35 118.98 2c7u s TYR 10 Ca -0.02 0.16 0.01 0.00 -1.41 0.00 0.00 57.07 55.81 2c7u s TYR 10 Cb -0.15 0.58 -0.04 0.00 -1.10 0.00 0.00 41.96 41.25 2c7u s TYR 10 CO 0.02 -0.79 0.33 -1.54 -2.51 0.00 0.00 175.55 171.05 2c7u s SER 11 N -2.70 6.36 0.12 -0.18 1.04 -1.26 0.43 113.70 117.51 2c7u s SER 11 Ca 0.05 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.60 2c7u s SER 11 Cb -0.02 -1.96 -0.02 0.00 0.10 0.00 0.00 66.02 64.12 2c7u s SER 11 CO -0.08 0.02 1.62 -0.09 0.98 0.00 0.00 173.24 175.69 2c7u h ARG 12 N 2.15 0.60 -6.29 4.02 2.43 -1.74 -3.45 114.38 112.09 2c7u h ARG 12 Ca -0.48 -0.14 -0.58 0.00 -0.81 0.00 0.00 59.98 57.96 2c7u h ARG 12 Cb 1.19 -0.08 -0.10 0.00 -0.42 0.00 0.00 29.97 30.56 2c7u h ARG 12 CO 0.69 0.63 -0.65 -1.01 -1.51 0.00 0.00 179.97 178.12 2c7u s HIS 13 N -5.30 2.78 0.16 2.20 3.76 -1.26 -5.04 115.29 112.59 2c7u s HIS 13 Ca -0.13 -0.18 -0.34 0.00 -0.15 0.00 0.00 55.06 54.26 2c7u s HIS 13 Cb 0.10 -1.30 -0.14 0.00 1.11 0.00 0.00 32.58 32.34 2c7u s HIS 13 CO 0.76 0.55 1.47 -2.30 -0.85 0.00 0.00 174.74 174.37 2c7u n PRO 14 N -0.45 1.85 -2.20 8.40 -0.02 -1.26 -4.87 135.00 136.45 2c7u n PRO 14 Ca -0.09 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.64 2c7u n PRO 14 Cb 0.57 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.65 2c7u n PRO 14 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2c7u s ALA 15 N 0.57 3.59 -0.07 3.55 0.00 -1.26 -5.02 121.76 123.12 2c7u s ALA 15 Ca 0.78 0.89 0.01 0.00 0.00 0.00 0.00 51.96 53.64 2c7u s ALA 15 Cb -0.74 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 18.79 2c7u s ALA 15 CO 0.43 -0.95 -0.08 -1.21 0.00 0.00 0.00 175.76 173.94 2c7u s GLU 16 N 2.51 1.32 0.13 0.00 2.02 -1.26 -5.11 118.70 118.30 2c7u s GLU 16 Ca 0.65 -0.26 -0.31 0.00 0.02 0.00 0.00 54.97 55.07 2c7u s GLU 16 Cb -0.32 -1.22 -0.10 0.00 0.10 0.00 0.00 34.13 32.60 2c7u s GLU 16 CO 0.27 -0.07 1.72 -0.80 0.02 0.00 0.00 175.26 176.39 2c7u s ASN 17 N 0.97 6.50 0.00 -0.19 0.01 -1.26 -2.09 114.94 118.88 2c7u s ASN 17 Ca -0.09 2.67 0.00 0.00 -0.71 0.00 0.00 52.86 54.72 2c7u s ASN 17 Cb -0.15 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 38.94 2c7u s ASN 17 CO 0.00 -0.93 0.00 0.61 -1.51 0.00 0.00 177.10 175.27 2c7u n GLY 18 N 4.05 0.59 3.24 0.66 0.00 0.11 -5.00 105.19 108.83 2c7u n GLY 18 Ca 0.16 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.83 2c7u n GLY 18 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2c7u s LYS 19 N -0.25 3.04 0.43 1.61 1.02 -0.89 -4.99 119.74 119.71 2c7u s LYS 19 Ca 0.00 -0.86 -0.24 0.00 0.02 0.00 0.00 55.97 54.88 2c7u s LYS 19 Cb 0.00 -2.32 -0.08 0.00 -0.52 0.00 0.00 37.83 34.91 2c7u s LYS 19 CO 0.00 0.20 1.22 -1.54 -0.92 0.00 0.00 175.35 174.31 2c7u s SER 20 N 0.30 6.24 0.17 2.83 1.04 -1.26 -3.97 113.70 119.05 2c7u s SER 20 Ca -0.17 2.45 -0.01 0.00 0.48 0.00 0.00 55.95 58.71 2c7u s SER 20 Cb -0.17 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.33 2c7u s SER 20 CO 0.08 -0.88 0.23 -3.20 0.98 0.00 0.00 173.24 170.45 2c7u n ASN 21 N -0.19 -0.65 -4.31 7.02 2.85 0.16 -4.97 115.26 115.17 2c7u n ASN 21 Ca 0.06 -1.93 -0.31 0.00 -0.11 0.00 0.00 54.58 52.28 2c7u n ASN 21 Cb 0.46 1.22 -0.16 0.00 1.24 0.00 0.00 39.78 42.54 2c7u n ASN 21 CO 0.00 0.00 0.00 -0.36 -2.11 0.00 0.00 177.26 174.79 2c7u s PHE 22 N -3.93 2.43 -0.17 1.20 0.40 -1.26 -1.53 117.98 115.12 2c7u s PHE 22 Ca 0.14 -0.55 -0.20 0.00 -0.60 0.00 0.00 56.93 55.72 2c7u s PHE 22 Cb -0.00 -1.57 -0.03 0.00 0.51 0.00 0.00 43.02 41.93 2c7u s PHE 22 CO 0.10 -0.11 0.60 -1.17 0.70 0.00 0.00 175.22 175.35 2c7u s LEU 23 N -0.38 4.18 -0.05 -0.37 2.96 0.12 -1.81 118.68 123.32 2c7u s LEU 23 Ca 0.03 0.85 0.03 0.00 -0.22 0.00 0.00 54.13 54.82 2c7u s LEU 23 Cb -0.12 -2.86 -0.03 0.00 0.50 0.00 0.00 46.19 43.68 2c7u s LEU 23 CO 0.02 -0.21 -0.11 0.20 -1.32 0.00 0.00 176.35 174.93 2c7u s ASN 24 N 1.07 4.34 -0.16 3.68 0.01 0.17 -1.92 114.94 122.14 2c7u s ASN 24 Ca 0.29 -0.13 0.00 0.00 -0.71 0.00 0.00 52.86 52.31 2c7u s ASN 24 Cb -0.16 -0.99 0.03 0.00 0.41 0.00 0.00 41.25 40.54 2c7u s ASN 24 CO 0.11 0.34 -0.11 0.00 -1.51 0.00 0.00 177.10 175.93 2c7u s TYR 26 N 1.53 3.16 -0.10 0.00 5.04 -0.60 -0.89 117.35 125.49 2c7u s TYR 26 Ca 0.03 -0.62 -0.02 0.00 -2.44 0.00 0.00 57.07 54.03 2c7u s TYR 26 Cb -0.14 -2.32 -0.03 0.00 0.35 0.00 0.00 41.96 39.82 2c7u s TYR 26 CO -0.09 -0.46 -0.04 0.14 -1.34 0.00 0.00 175.55 173.76 2c7u s VAL 27 N 1.59 3.93 0.15 3.14 -7.23 -0.86 -1.75 120.40 119.38 2c7u s VAL 27 Ca 0.04 -0.37 -0.11 0.00 -1.81 0.00 0.00 61.98 59.73 2c7u s VAL 27 Cb -0.17 -2.66 0.00 0.00 0.56 0.00 0.00 36.38 34.12 2c7u s VAL 27 CO 0.05 0.56 0.33 -0.94 -0.31 0.00 0.00 175.10 174.79 2c7u s SER 28 N -0.40 -0.03 -0.78 4.85 1.04 -0.90 -1.31 113.70 116.17 2c7u s SER 28 Ca 0.06 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.80 2c7u s SER 28 Cb -0.12 0.45 0.00 0.00 0.10 0.00 0.00 66.02 66.45 2c7u s SER 28 CO 0.02 -0.89 0.00 0.61 0.98 0.00 0.00 173.24 173.96 2c7u n GLY 29 N -0.21 0.94 3.77 7.32 0.00 -0.53 -0.87 105.19 115.62 2c7u n GLY 29 Ca -0.10 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.94 2c7u n GLY 29 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2c7u s PHE 30 N -2.26 3.17 -0.26 1.61 -0.71 -1.20 -4.11 117.98 114.22 2c7u s PHE 30 Ca 0.00 0.05 -0.20 0.00 -1.04 0.00 0.00 56.93 55.74 2c7u s PHE 30 Cb 0.00 -1.59 0.07 0.00 -1.21 0.00 0.00 43.02 40.29 2c7u s PHE 30 CO 0.00 0.52 0.66 -1.58 -1.34 0.00 0.00 175.22 173.48 2c7u s HIS 31 N -1.46 -0.86 0.86 3.49 2.46 -0.89 -1.36 115.29 117.54 2c7u s HIS 31 Ca 0.29 1.90 -0.14 0.00 0.47 0.00 0.00 55.06 57.58 2c7u s HIS 31 Cb -0.12 0.40 0.22 0.00 -0.13 0.00 0.00 32.58 32.95 2c7u s HIS 31 CO 0.22 -0.42 0.69 -0.35 -2.47 0.00 0.00 174.74 172.41 2c7u n PRO 32 N 3.42 -2.82 0.00 2.88 -0.04 -1.26 -0.29 135.00 136.89 2c7u n PRO 32 Ca -0.17 -1.11 0.14 0.00 -0.04 0.00 0.00 63.50 62.32 2c7u n PRO 32 Cb 0.57 -1.13 0.52 0.00 -0.04 0.00 0.00 33.50 33.42 2c7u n PRO 32 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 2c7u n SER 33 N -4.41 0.55 -4.62 3.54 3.41 -1.26 -4.81 113.62 106.03 2c7u n SER 33 Ca 0.10 -0.52 -0.43 0.00 -0.26 0.00 0.00 58.87 57.76 2c7u n SER 33 Cb 0.39 -0.03 -0.03 0.00 -0.26 0.00 0.00 64.21 64.29 2c7u n SER 33 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2c7u s ASP 34 N -2.58 6.02 -0.00 4.04 -0.00 -1.26 -4.96 116.67 117.93 2c7u s ASP 34 Ca 0.25 1.66 -0.07 0.00 -0.00 0.00 0.00 52.55 54.40 2c7u s ASP 34 Cb 0.19 -2.53 0.00 0.00 -0.00 0.00 0.00 42.92 40.59 2c7u s ASP 34 CO 0.51 -1.54 0.13 -0.51 -0.00 0.00 0.00 175.17 173.76 2c7u s ILE 35 N 6.37 0.07 -0.18 0.77 2.07 -1.26 -4.67 121.20 124.38 2c7u s ILE 35 Ca 0.82 -0.61 -0.00 0.00 -1.41 0.00 0.00 60.65 59.45 2c7u s ILE 35 Cb -0.27 -0.39 0.05 0.00 0.13 0.00 0.00 42.46 41.97 2c7u s ILE 35 CO 0.33 -0.33 -0.05 -1.83 -1.91 0.00 0.00 174.94 171.15 2c7u s GLU 36 N -1.18 1.42 -0.14 3.50 -1.05 -1.06 -5.02 118.70 115.17 2c7u s GLU 36 Ca -0.13 -0.58 0.02 0.00 -0.15 0.00 0.00 54.97 54.13 2c7u s GLU 36 Cb -0.07 -2.11 0.01 0.00 -0.44 0.00 0.00 34.13 31.53 2c7u s GLU 36 CO 0.01 -0.47 -0.19 0.08 0.95 0.00 0.00 175.26 175.64 2c7u s VAL 37 N 1.61 1.86 -0.03 1.83 1.01 -1.26 -1.17 120.40 124.26 2c7u s VAL 37 Ca -0.00 -0.85 0.07 0.00 0.00 0.00 0.00 61.98 61.20 2c7u s VAL 37 Cb -0.16 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.53 2c7u s VAL 37 CO -0.08 0.51 -0.25 -1.81 0.00 0.00 0.00 175.10 173.48 2c7u s ASP 38 N 1.03 2.92 0.03 3.32 1.01 0.13 -4.99 116.67 120.12 2c7u s ASP 38 Ca -0.03 -0.46 -0.18 0.00 0.71 0.00 0.00 52.55 52.59 2c7u s ASP 38 Cb -0.15 -0.43 -0.06 0.00 1.01 0.00 0.00 42.92 43.30 2c7u s ASP 38 CO -0.05 0.29 0.53 -0.76 0.21 0.00 0.00 175.17 175.39 2c7u s LEU 39 N -0.49 4.48 -0.01 1.23 1.43 -1.26 -0.50 118.68 123.56 2c7u s LEU 39 Ca 0.07 1.14 0.07 0.00 -1.03 0.00 0.00 54.13 54.38 2c7u s LEU 39 Cb -0.10 -2.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.28 2c7u s LEU 39 CO -0.00 0.23 -0.23 -0.76 0.23 0.00 0.00 176.35 175.82 2c7u s LEU 40 N -0.80 2.05 -0.21 1.79 1.43 0.08 -1.86 118.68 121.17 2c7u s LEU 40 Ca 0.28 -0.42 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 2c7u s LEU 40 Cb -0.18 -1.17 0.02 0.00 0.03 0.00 0.00 46.19 44.88 2c7u s LEU 40 CO 0.17 0.28 -0.13 -0.75 0.23 0.00 0.00 176.35 176.14 2c7u s LYS 41 N -0.59 2.94 -1.34 1.70 2.20 0.45 -1.94 119.74 123.16 2c7u s LYS 41 Ca 0.09 -0.88 -0.17 0.00 -0.36 0.00 0.00 55.97 54.64 2c7u s LYS 41 Cb -0.09 -2.77 0.02 0.00 -1.51 0.00 0.00 37.83 33.48 2c7u s LYS 41 CO -0.01 -0.29 0.43 0.09 -0.36 0.00 0.00 175.35 175.22 2c7u n ASN 42 N 4.64 -2.07 0.00 1.43 3.02 0.93 -1.92 115.26 121.29 2c7u n ASN 42 Ca -0.19 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 2c7u n ASN 42 Cb 0.49 -2.01 0.00 0.00 -0.61 0.00 0.00 39.78 37.65 2c7u n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7u n GLY 43 N -2.20 0.71 3.41 7.41 0.00 -1.26 -5.00 105.19 108.25 2c7u n GLY 43 Ca -0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2c7u n GLY 43 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2c7u s GLU 44 N -0.26 1.47 -0.02 1.61 -6.30 -0.81 -5.04 118.70 109.35 2c7u s GLU 44 Ca 0.00 -1.39 -0.30 0.00 -2.50 0.00 0.00 54.97 50.78 2c7u s GLU 44 Cb 0.00 -1.90 -0.04 0.00 0.00 0.00 0.00 34.13 32.19 2c7u s GLU 44 CO 0.00 0.44 1.26 0.50 0.02 0.00 0.00 175.26 177.47 2c7u s ARG 45 N -2.25 4.34 -0.08 4.30 3.52 -1.26 -0.41 118.95 127.11 2c7u s ARG 45 Ca 0.16 1.77 -0.30 0.00 -0.13 0.00 0.00 55.73 57.24 2c7u s ARG 45 Cb -0.09 -3.52 -0.02 0.00 -1.56 0.00 0.00 34.95 29.75 2c7u s ARG 45 CO 0.07 -0.45 1.07 0.42 -0.81 0.00 0.00 175.30 175.60 2c7u s ILE 46 N 2.07 4.62 0.12 4.11 1.01 -0.78 -4.90 121.20 127.46 2c7u s ILE 46 Ca 0.59 1.90 -0.17 0.00 0.00 0.00 0.00 60.65 62.97 2c7u s ILE 46 Cb -0.27 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 37.94 2c7u s ILE 46 CO 0.24 0.01 1.63 -0.08 0.00 0.00 0.00 174.94 176.75 2c7u h GLU 47 N 7.18 0.53 -2.86 2.79 4.81 -1.94 -3.37 114.58 121.72 2c7u h GLU 47 Ca -0.33 -0.12 -0.81 0.00 -0.13 0.00 0.00 59.36 57.98 2c7u h GLU 47 Cb 1.16 -0.08 -0.28 0.00 0.63 0.00 0.00 28.75 30.18 2c7u h GLU 47 CO 0.86 0.57 0.79 1.17 -0.73 0.00 0.00 179.01 181.66 2c7u n LYS 48 N -4.65 4.54 -4.69 1.92 3.00 -1.26 -4.96 118.16 112.06 2c7u n LYS 48 Ca -0.01 -4.57 -0.33 0.00 -0.00 0.00 0.00 58.31 53.40 2c7u n LYS 48 Cb 0.17 -2.50 -0.13 0.00 0.00 0.00 0.00 35.03 32.57 2c7u n LYS 48 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 2c7u s VAL 49 N -2.92 3.34 0.26 3.15 1.01 -1.26 -4.71 120.40 119.28 2c7u s VAL 49 Ca 0.32 -0.57 0.11 0.00 0.00 0.00 0.00 61.98 61.83 2c7u s VAL 49 Cb 0.06 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.99 2c7u s VAL 49 CO 0.09 0.54 -0.11 -0.70 0.00 0.00 0.00 175.10 174.92 2c7u s GLU 50 N 0.06 1.96 0.07 2.72 2.12 -0.48 -4.95 118.70 120.20 2c7u s GLU 50 Ca -0.03 -1.58 0.02 0.00 0.36 0.00 0.00 54.97 53.74 2c7u s GLU 50 Cb -0.14 -1.97 -0.03 0.00 0.26 0.00 0.00 34.13 32.25 2c7u s GLU 50 CO 0.04 0.36 -0.07 -3.38 -0.54 0.00 0.00 175.26 171.67 2c7u s HIS 51 N -2.34 0.75 0.89 5.30 -3.43 -1.26 0.24 115.29 115.45 2c7u s HIS 51 Ca 0.30 -0.73 -0.11 0.00 -0.80 0.00 0.00 55.06 53.71 2c7u s HIS 51 Cb -0.06 -0.45 0.13 0.00 -1.43 0.00 0.00 32.58 30.77 2c7u s HIS 51 CO 0.17 -0.14 1.09 -1.54 -2.00 0.00 0.00 174.74 172.33 2c7u s SER 52 N -2.34 3.51 0.10 7.38 1.04 0.81 -4.98 113.70 119.21 2c7u s SER 52 Ca 0.01 1.53 -0.30 0.00 0.48 0.00 0.00 55.95 57.67 2c7u s SER 52 Cb -0.02 -2.21 -0.06 0.00 0.10 0.00 0.00 66.02 63.83 2c7u s SER 52 CO -0.03 -2.62 1.21 -1.81 0.98 0.00 0.00 173.24 170.97 2c7u s ASP 53 N -3.38 7.06 -0.54 7.02 1.01 -1.26 -4.71 116.67 121.87 2c7u s ASP 53 Ca 0.63 2.10 -0.34 0.00 0.71 0.00 0.00 52.55 55.65 2c7u s ASP 53 Cb -0.18 -2.59 -0.14 0.00 1.01 0.00 0.00 42.92 41.02 2c7u s ASP 53 CO 0.57 -0.46 2.34 -0.11 0.21 0.00 0.00 175.17 177.72 2c7u n LEU 54 N 3.56 1.58 -4.72 1.23 7.94 -1.26 -4.97 117.00 120.36 2c7u n LEU 54 Ca 0.08 0.23 -0.32 0.00 -1.11 0.00 0.00 56.01 54.90 2c7u n LEU 54 Cb 0.46 -1.20 -0.07 0.00 0.53 0.00 0.00 43.42 43.13 2c7u n LEU 54 CO 0.56 -0.88 -0.23 -0.55 -1.11 0.00 0.00 177.39 175.17 2c7u s SER 55 N 8.37 3.85 0.11 1.96 0.15 -1.25 -5.05 113.70 121.84 2c7u s SER 55 Ca 1.15 -1.70 -0.13 0.00 0.70 0.00 0.00 55.95 55.97 2c7u s SER 55 Cb -0.91 0.62 0.02 0.00 -1.71 0.00 0.00 66.02 64.04 2c7u s SER 55 CO 0.47 -0.92 0.32 0.72 1.20 0.00 0.00 173.24 175.03 2c7u s PHE 56 N -2.97 -0.05 0.17 3.44 -0.12 -1.26 -2.42 117.98 114.77 2c7u s PHE 56 Ca 0.07 -0.31 -0.02 0.00 -0.05 0.00 0.00 56.93 56.62 2c7u s PHE 56 Cb 0.01 0.13 0.04 0.00 -0.63 0.00 0.00 43.02 42.57 2c7u s PHE 56 CO 0.05 -0.64 0.23 0.43 -0.05 0.00 0.00 175.22 175.23 2c7u n SER 57 N -0.16 0.09 0.21 1.98 7.64 -0.18 -4.93 113.62 118.27 2c7u n SER 57 Ca -0.15 -1.13 0.07 0.00 1.01 0.00 0.00 58.87 58.67 2c7u n SER 57 Cb 0.63 -0.17 0.43 0.00 -1.01 0.00 0.00 64.21 64.09 2c7u n SER 57 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2c7u h LYS 58 N 0.00 0.00 -0.31 1.43 1.57 -2.03 -2.58 116.57 114.65 2c7u h LYS 58 Ca -0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.71 2c7u h LYS 58 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.53 2c7u h LYS 58 CO 0.06 0.30 0.00 -0.40 -0.57 0.00 0.00 179.45 178.84 2c7u n ASP 59 N -3.58 1.94 0.00 0.86 5.68 -1.26 -4.93 116.55 115.26 2c7u n ASP 59 Ca -0.01 -1.91 0.00 0.00 -0.50 0.00 0.00 54.79 52.38 2c7u n ASP 59 Cb 0.43 -0.21 0.00 0.00 -1.14 0.00 0.00 41.12 40.21 2c7u n ASP 59 CO 0.00 0.00 0.00 0.79 -1.33 0.00 0.00 177.20 176.66 2c7u n TRP 60 N 0.54 0.00 -2.94 2.11 7.02 -0.97 -5.01 117.44 118.19 2c7u n TRP 60 Ca 0.14 0.00 -0.36 0.00 -1.02 0.00 0.00 57.50 56.26 2c7u n TRP 60 Cb 0.33 -0.17 -0.06 0.00 -2.42 0.00 0.00 31.31 28.98 2c7u n TRP 60 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 2c7u s SER 61 N -2.52 7.17 0.41 -0.99 1.04 -1.26 -4.75 113.70 112.80 2c7u s SER 61 Ca 0.00 1.62 -0.04 0.00 0.48 0.00 0.00 55.95 58.01 2c7u s SER 61 Cb 0.00 -2.50 -0.04 0.00 0.10 0.00 0.00 66.02 63.58 2c7u s SER 61 CO 0.00 -0.04 0.69 -0.36 0.98 0.00 0.00 173.24 174.51 2c7u s PHE 62 N -1.62 3.52 -0.09 5.02 0.08 -0.46 -1.01 117.98 123.43 2c7u s PHE 62 Ca 0.48 0.70 -0.13 0.00 0.12 0.00 0.00 56.93 58.09 2c7u s PHE 62 Cb -0.17 -2.19 0.03 0.00 -0.57 0.00 0.00 43.02 40.12 2c7u s PHE 62 CO 0.22 -0.09 0.34 1.52 -0.10 0.00 0.00 175.22 177.11 2c7u s TYR 63 N -2.50 -0.31 -0.02 0.36 1.13 -1.02 -1.45 117.35 113.54 2c7u s TYR 63 Ca 0.45 0.69 -0.03 0.00 -1.41 0.00 0.00 57.07 56.78 2c7u s TYR 63 Cb -0.10 0.12 0.00 0.00 -1.10 0.00 0.00 41.96 40.89 2c7u s TYR 63 CO 0.39 -0.27 0.07 -0.51 -2.51 0.00 0.00 175.55 172.73 2c7u s LEU 64 N -0.40 1.73 -0.32 -3.49 1.43 -0.43 -3.75 118.68 113.46 2c7u s LEU 64 Ca -0.05 0.07 -0.12 0.00 -1.03 0.00 0.00 54.13 53.01 2c7u s LEU 64 Cb -0.03 0.29 -0.02 0.00 0.03 0.00 0.00 46.19 46.45 2c7u s LEU 64 CO 0.02 -0.08 0.21 -0.22 0.23 0.00 0.00 176.35 176.51 2c7u s LEU 65 N -0.20 4.28 -0.13 1.79 2.96 -1.26 -2.04 118.68 124.08 2c7u s LEU 65 Ca -0.03 -0.32 -0.11 0.00 -0.22 0.00 0.00 54.13 53.45 2c7u s LEU 65 Cb -0.02 -2.10 -0.05 0.00 0.50 0.00 0.00 46.19 44.52 2c7u s LEU 65 CO 0.00 -0.17 0.24 -0.31 -1.32 0.00 0.00 176.35 174.79 2c7u s TYR 66 N 1.71 3.54 0.02 5.38 1.51 -0.07 -0.13 117.35 129.30 2c7u s TYR 66 Ca 0.06 0.60 -0.21 0.00 -1.01 0.00 0.00 57.07 56.51 2c7u s TYR 66 Cb -0.17 -2.19 0.04 0.00 -0.11 0.00 0.00 41.96 39.53 2c7u s TYR 66 CO 0.10 0.46 0.47 1.52 -1.11 0.00 0.00 175.55 176.98 2c7u s TYR 67 N -0.23 -0.36 -0.14 2.71 1.13 0.14 -0.38 117.35 120.21 2c7u s TYR 67 Ca 0.16 0.45 -0.28 0.00 -1.41 0.00 0.00 57.07 55.98 2c7u s TYR 67 Cb -0.13 0.26 0.07 0.00 -1.10 0.00 0.00 41.96 41.07 2c7u s TYR 67 CO 0.05 -0.57 0.71 -0.08 -2.51 0.00 0.00 175.55 173.15 2c7u s THR 68 N -2.05 0.00 0.30 -3.49 -1.32 -0.81 -1.38 115.64 106.90 2c7u s THR 68 Ca -0.08 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.11 2c7u s THR 68 Cb -0.01 -1.00 -0.10 0.00 -1.51 0.00 0.00 72.50 69.88 2c7u s THR 68 CO 0.01 0.00 1.24 -1.61 -2.21 0.00 0.00 174.62 172.05 2c7u s GLU 69 N -0.54 4.45 0.08 7.08 2.02 -1.26 0.11 118.70 130.64 2c7u s GLU 69 Ca -0.06 2.06 -0.19 0.00 0.02 0.00 0.00 54.97 56.80 2c7u s GLU 69 Cb -0.02 -3.13 0.04 0.00 0.10 0.00 0.00 34.13 31.13 2c7u s GLU 69 CO 0.06 -0.07 0.46 -0.59 0.02 0.00 0.00 175.26 175.14 2c7u s PHE 70 N -0.97 -0.33 -0.33 1.61 -0.71 -0.58 -4.82 117.98 111.86 2c7u s PHE 70 Ca 0.49 0.22 -0.02 0.00 -1.04 0.00 0.00 56.93 56.57 2c7u s PHE 70 Cb -0.37 0.30 0.06 0.00 -1.21 0.00 0.00 43.02 41.81 2c7u s PHE 70 CO 0.47 -0.66 0.05 0.99 -1.34 0.00 0.00 175.22 174.73 2c7u s THR 71 N -2.98 3.05 0.47 -4.49 2.01 -1.26 0.38 115.64 112.82 2c7u s THR 71 Ca -0.02 -1.55 -0.24 0.00 0.31 0.00 0.00 61.69 60.19 2c7u s THR 71 Cb 0.00 -2.85 -0.07 0.00 0.01 0.00 0.00 72.50 69.59 2c7u s THR 71 CO -0.06 -0.25 1.31 -2.84 -0.69 0.00 0.00 174.62 172.08 2c7u s PRO 72 N 1.22 3.59 -0.02 4.92 0.02 -1.25 -4.76 135.00 138.72 2c7u s PRO 72 Ca -0.02 2.13 0.01 0.00 0.02 0.00 0.00 61.00 63.14 2c7u s PRO 72 Cb -0.20 -2.48 0.01 0.00 0.02 0.00 0.00 34.50 31.84 2c7u s PRO 72 CO -0.02 -0.80 -0.03 0.95 -0.33 0.00 0.00 177.00 176.78 2c7u s THR 73 N -1.34 0.31 0.08 0.99 -4.23 -1.26 -0.71 115.64 109.48 2c7u s THR 73 Ca 0.64 -0.09 0.00 0.00 -1.18 0.00 0.00 61.69 61.07 2c7u s THR 73 Cb -0.37 -0.31 0.11 0.00 1.34 0.00 0.00 72.50 73.27 2c7u s THR 73 CO 0.46 0.13 0.41 1.21 -0.54 0.00 0.00 174.62 176.29 2c7u n GLU 74 N 3.48 -0.02 0.01 3.99 4.07 -1.26 -1.44 120.64 129.48 2c7u n GLU 74 Ca -0.19 0.40 0.11 0.00 -0.06 0.00 0.00 57.16 57.42 2c7u n GLU 74 Cb 0.55 -0.63 -0.01 0.00 -0.06 0.00 0.00 31.44 31.29 2c7u n GLU 74 CO 0.00 0.00 0.00 0.36 -0.06 0.00 0.00 177.13 177.43 2c7u n LYS 75 N -4.18 0.23 -2.99 5.31 -0.00 -1.26 -4.95 118.16 110.33 2c7u n LYS 75 Ca 0.06 -0.02 -0.40 0.00 -0.00 0.00 0.00 58.31 57.94 2c7u n LYS 75 Cb 0.19 -1.56 -0.04 0.00 -0.00 0.00 0.00 35.03 33.63 2c7u n LYS 75 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2c7u s ASP 76 N -3.69 7.04 -0.16 -5.58 1.01 -0.52 -5.05 116.67 109.72 2c7u s ASP 76 Ca 0.04 1.26 -0.08 0.00 0.71 0.00 0.00 52.55 54.48 2c7u s ASP 76 Cb 0.15 -2.44 -0.04 0.00 1.01 0.00 0.00 42.92 41.60 2c7u s ASP 76 CO 0.82 -0.15 0.11 -1.61 0.21 0.00 0.00 175.17 174.55 2c7u s GLU 77 N 0.90 3.82 0.09 8.23 2.02 -1.26 -4.79 118.70 127.70 2c7u s GLU 77 Ca 0.40 -0.23 0.09 0.00 0.02 0.00 0.00 54.97 55.25 2c7u s GLU 77 Cb -0.18 -3.26 -0.03 0.00 0.10 0.00 0.00 34.13 30.76 2c7u s GLU 77 CO 0.19 0.48 -0.24 0.71 0.02 0.00 0.00 175.26 176.43 2c7u s TYR 78 N -0.18 2.03 0.17 1.61 2.02 -1.26 -0.05 117.35 121.69 2c7u s TYR 78 Ca 0.10 -0.40 -0.14 0.00 -0.37 0.00 0.00 57.07 56.26 2c7u s TYR 78 Cb -0.12 -1.14 0.02 0.00 -0.40 0.00 0.00 41.96 40.32 2c7u s TYR 78 CO 0.01 0.21 0.40 0.00 -1.57 0.00 0.00 175.55 174.60 2c7u s ALA 79 N -1.01 -0.59 -0.16 3.71 0.00 -0.82 -0.75 121.76 122.15 2c7u s ALA 79 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 51.96 51.61 2c7u s ALA 79 Cb -0.10 0.80 -0.01 0.00 0.00 0.00 0.00 23.12 23.81 2c7u s ALA 79 CO 0.04 -0.71 -0.10 0.00 0.00 0.00 0.00 175.76 175.00 2c7u s ARG 81 N 0.63 3.52 -0.07 0.00 3.52 0.35 -1.09 118.95 125.81 2c7u s ARG 81 Ca -0.06 -0.57 0.03 0.00 -0.13 0.00 0.00 55.73 55.00 2c7u s ARG 81 Cb -0.15 -2.97 0.01 0.00 -1.56 0.00 0.00 34.95 30.28 2c7u s ARG 81 CO 0.03 0.02 -0.15 0.08 -0.81 0.00 0.00 175.30 174.46 2c7u s VAL 82 N 0.95 1.37 0.19 7.11 1.01 -0.54 -0.69 120.40 129.78 2c7u s VAL 82 Ca 0.00 -0.62 0.10 0.00 0.00 0.00 0.00 61.98 61.47 2c7u s VAL 82 Cb -0.15 -1.22 -0.04 0.00 0.00 0.00 0.00 36.38 34.97 2c7u s VAL 82 CO 0.01 0.41 -0.22 0.21 0.00 0.00 0.00 175.10 175.51 2c7u s ASN 83 N 0.55 3.18 -0.04 3.32 3.84 -0.32 -0.95 114.94 124.53 2c7u s ASN 83 Ca -0.15 -0.87 -0.30 0.00 0.21 0.00 0.00 52.86 51.76 2c7u s ASN 83 Cb -0.16 -0.22 0.11 0.00 -0.55 0.00 0.00 41.25 40.43 2c7u s ASN 83 CO 0.05 0.07 0.94 -2.28 -2.79 0.00 0.00 177.10 173.08 2c7u s HIS 84 N -1.81 -0.32 -0.25 0.43 5.65 -1.26 -2.55 115.29 115.17 2c7u s HIS 84 Ca 0.19 0.24 0.26 0.00 0.25 0.00 0.00 55.06 56.00 2c7u s HIS 84 Cb -0.07 0.53 1.17 0.00 -1.18 0.00 0.00 32.58 33.03 2c7u s HIS 84 CO 0.09 -0.48 1.79 -0.24 -0.65 0.00 0.00 174.74 175.24 2c7u h VAL 85 N 2.06 0.00 -0.00 0.89 3.04 -1.96 -1.62 116.25 118.66 2c7u h VAL 85 Ca -0.20 -0.22 0.00 0.00 -1.01 0.00 0.00 66.70 65.27 2c7u h VAL 85 Cb 1.22 0.96 0.00 0.00 -2.01 0.00 0.00 31.29 31.47 2c7u h VAL 85 CO 0.30 0.00 -0.21 0.35 -1.01 0.00 0.00 177.57 177.00 2c7u n THR 86 N -2.44 0.00 -4.34 3.17 -2.24 -1.26 -4.86 114.28 102.31 2c7u n THR 86 Ca 0.01 -0.03 -0.34 0.00 -2.27 0.00 0.00 64.05 61.41 2c7u n THR 86 Cb 0.19 -0.05 -0.13 0.00 -2.10 0.00 0.00 70.33 68.25 2c7u n THR 86 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 2c7u s LEU 87 N -2.75 3.07 0.36 3.22 1.43 -0.61 -4.99 118.68 118.40 2c7u s LEU 87 Ca 0.20 -0.23 0.19 0.00 -1.03 0.00 0.00 54.13 53.25 2c7u s LEU 87 Cb 0.19 -1.74 0.49 0.00 0.03 0.00 0.00 46.19 45.16 2c7u s LEU 87 CO 0.56 0.12 1.64 0.77 0.23 0.00 0.00 176.35 179.66 2c7u h SER 88 N 7.09 0.00 -5.16 2.29 4.64 -1.89 -3.44 113.55 117.09 2c7u h SER 88 Ca -0.33 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 60.89 2c7u h SER 88 Cb 1.19 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.13 2c7u h SER 88 CO 0.60 0.37 -0.49 0.00 -0.87 0.00 0.00 176.83 176.44 2c7u s GLN 89 N -3.34 0.71 0.42 4.77 -2.07 -1.26 -5.14 119.66 113.75 2c7u s GLN 89 Ca 0.02 -0.97 -0.27 0.00 -1.82 0.00 0.00 55.36 52.33 2c7u s GLN 89 Cb 0.09 0.28 -0.10 0.00 -1.09 0.00 0.00 33.01 32.19 2c7u s GLN 89 CO 0.69 -0.19 1.46 -2.14 -1.32 0.00 0.00 175.29 173.79 2c7u s PRO 90 N -3.53 3.89 -0.23 9.60 0.02 -1.26 -4.95 135.00 138.53 2c7u s PRO 90 Ca 0.03 2.50 -0.18 0.00 0.02 0.00 0.00 61.00 63.37 2c7u s PRO 90 Cb 0.04 -2.81 -0.03 0.00 0.02 0.00 0.00 34.50 31.72 2c7u s PRO 90 CO -0.09 -0.69 0.50 0.21 -0.33 0.00 0.00 177.00 176.61 2c7u s LYS 91 N -2.28 4.13 -0.21 5.54 2.20 -0.12 -4.87 119.74 124.13 2c7u s LYS 91 Ca 0.57 0.35 -0.09 0.00 -0.36 0.00 0.00 55.97 56.44 2c7u s LYS 91 Cb -0.45 -3.60 -0.04 0.00 -1.51 0.00 0.00 37.83 32.22 2c7u s LYS 91 CO 0.60 -0.24 0.10 0.42 -0.36 0.00 0.00 175.35 175.87 2c7u s ILE 92 N 1.93 5.03 -0.18 5.43 1.01 -1.26 -1.47 121.20 131.70 2c7u s ILE 92 Ca 0.22 0.06 0.01 0.00 0.00 0.00 0.00 60.65 60.94 2c7u s ILE 92 Cb -0.15 -3.30 0.02 0.00 0.01 0.00 0.00 42.46 39.04 2c7u s ILE 92 CO 0.09 0.42 -0.18 -0.69 0.00 0.00 0.00 174.94 174.57 2c7u s VAL 93 N 0.65 1.95 0.38 2.92 1.01 -0.25 -4.99 120.40 122.09 2c7u s VAL 93 Ca 0.05 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 60.91 2c7u s VAL 93 Cb -0.13 -1.79 -0.10 0.00 0.00 0.00 0.00 36.38 34.37 2c7u s VAL 93 CO 0.01 0.50 0.96 -0.54 0.00 0.00 0.00 175.10 176.04 2c7u s LYS 94 N 1.33 4.35 0.15 2.72 1.02 -1.26 -0.83 119.74 127.22 2c7u s LYS 94 Ca 0.05 1.27 -0.30 0.00 0.02 0.00 0.00 55.97 57.00 2c7u s LYS 94 Cb -0.13 -2.48 -0.07 0.00 -0.52 0.00 0.00 37.83 34.63 2c7u s LYS 94 CO -0.12 0.07 1.14 -0.46 -0.92 0.00 0.00 175.35 175.05 2c7u s TRP 95 N -1.87 3.53 -0.14 3.18 -0.00 0.07 -4.88 118.94 118.82 2c7u s TRP 95 Ca 0.57 1.51 -0.01 0.00 -0.00 0.00 0.00 56.10 58.16 2c7u s TRP 95 Cb -0.15 -3.33 0.04 0.00 -0.00 0.00 0.00 33.47 30.03 2c7u s TRP 95 CO 0.20 -0.86 -0.02 0.34 -0.00 0.00 0.00 176.95 176.61 2c7u s ASP 96 N 0.19 2.48 0.39 5.86 -1.08 -1.26 -4.84 116.67 118.42 2c7u s ASP 96 Ca 0.52 -0.52 0.22 0.00 -0.52 0.00 0.00 52.55 52.24 2c7u s ASP 96 Cb -0.30 -0.71 1.23 0.00 -1.46 0.00 0.00 42.92 41.68 2c7u s ASP 96 CO 0.34 -0.21 1.67 0.03 0.52 0.00 0.00 175.17 177.52 2c7u h ARG 97 N 8.21 0.23 -1.98 4.34 3.08 -1.96 -1.85 114.38 124.46 2c7u h ARG 97 Ca -0.22 -0.01 -0.66 0.00 0.07 0.00 0.00 59.98 59.16 2c7u h ARG 97 Cb 1.12 -0.05 -0.37 0.00 0.08 0.00 0.00 29.97 30.75 2c7u h ARG 97 CO 0.35 0.15 -0.05 -3.47 -1.07 0.00 0.00 179.97 175.88 2c7u n ASP 98 N -4.81 5.64 0.00 7.04 -0.08 -1.26 -4.80 116.55 118.28 2c7u n ASP 98 Ca 0.32 -3.73 0.00 0.00 -1.51 0.00 0.00 54.79 49.88 2c7u n ASP 98 Cb 1.14 -0.73 0.00 0.00 2.34 0.00 0.00 41.12 43.87 2c7u n ASP 98 CO 0.00 0.00 0.00 0.23 0.12 0.00 0.00 177.20 177.55