#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2c7u n ILE 1 N 0.00 1.41 -3.69 3.17 5.41 -1.26 -5.03 119.36 119.37 2c7u n ILE 1 Ca 0.00 -0.35 -0.20 0.00 1.00 0.00 0.00 62.75 63.20 2c7u n ILE 1 Cb 0.00 -1.89 -0.18 0.00 -0.71 0.00 0.00 39.64 36.86 2c7u n ILE 1 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2c7u s GLN 2 N -1.12 0.00 -0.06 0.38 -0.21 -1.26 -4.36 119.66 113.03 2c7u s GLN 2 Ca 0.60 0.34 0.04 0.00 0.02 0.00 0.00 55.36 56.36 2c7u s GLN 2 Cb -0.51 -0.55 -0.02 0.00 1.00 0.00 0.00 33.01 32.92 2c7u s GLN 2 CO 0.55 -0.32 -0.16 1.03 -2.12 0.00 0.00 175.29 174.27 2c7u s ARG 3 N 2.11 2.61 -0.04 2.91 0.52 0.90 -4.91 118.95 123.05 2c7u s ARG 3 Ca 0.04 -0.73 -0.24 0.00 -0.52 0.00 0.00 55.73 54.28 2c7u s ARG 3 Cb -0.12 -2.37 -0.04 0.00 0.52 0.00 0.00 34.95 32.94 2c7u s ARG 3 CO -0.03 0.54 0.74 0.99 0.02 0.00 0.00 175.30 177.55 2c7u s THR 4 N -0.51 4.97 0.30 0.02 2.01 -1.26 -2.09 115.64 119.08 2c7u s THR 4 Ca 0.07 1.54 -0.29 0.00 0.31 0.00 0.00 61.69 63.31 2c7u s THR 4 Cb -0.12 -4.08 -0.10 0.00 0.01 0.00 0.00 72.50 68.21 2c7u s THR 4 CO 0.01 0.27 1.44 -2.16 -0.69 0.00 0.00 174.62 173.49 2c7u s PRO 5 N 0.63 4.24 0.05 4.92 0.04 -1.26 -4.42 135.00 139.19 2c7u s PRO 5 Ca 0.39 2.38 -0.23 0.00 0.04 0.00 0.00 61.00 63.58 2c7u s PRO 5 Cb -0.19 -3.06 -0.06 0.00 0.04 0.00 0.00 34.50 31.24 2c7u s PRO 5 CO 0.20 -0.42 0.68 0.15 0.04 0.00 0.00 177.00 177.65 2c7u s LYS 6 N -1.08 4.40 -0.12 4.56 1.02 0.43 -4.91 119.74 124.05 2c7u s LYS 6 Ca 0.56 0.91 0.03 0.00 0.02 0.00 0.00 55.97 57.49 2c7u s LYS 6 Cb -0.43 -3.33 -0.00 0.00 -0.52 0.00 0.00 37.83 33.55 2c7u s LYS 6 CO 0.50 0.40 -0.20 0.42 -0.92 0.00 0.00 175.35 175.54 2c7u s ILE 7 N -0.38 2.35 -0.11 2.17 1.01 -1.26 -1.91 121.20 123.06 2c7u s ILE 7 Ca 0.34 -0.91 0.01 0.00 0.00 0.00 0.00 60.65 60.09 2c7u s ILE 7 Cb -0.20 -1.93 0.02 0.00 0.01 0.00 0.00 42.46 40.36 2c7u s ILE 7 CO 0.21 0.55 -0.14 -1.10 0.00 0.00 0.00 174.94 174.45 2c7u s GLN 8 N 0.43 2.15 -0.23 2.79 -0.21 -0.51 -5.00 119.66 119.08 2c7u s GLN 8 Ca -0.15 -0.53 -0.08 0.00 0.02 0.00 0.00 55.36 54.63 2c7u s GLN 8 Cb -0.17 -1.88 -0.04 0.00 1.00 0.00 0.00 33.01 31.92 2c7u s GLN 8 CO 0.06 -0.11 0.08 0.08 -2.12 0.00 0.00 175.29 173.29 2c7u s VAL 9 N 1.12 4.62 0.21 1.09 1.01 -1.26 -1.62 120.40 125.58 2c7u s VAL 9 Ca -0.04 -0.08 -0.21 0.00 0.00 0.00 0.00 61.98 61.66 2c7u s VAL 9 Cb -0.14 -3.14 0.04 0.00 0.00 0.00 0.00 36.38 33.14 2c7u s VAL 9 CO -0.04 0.37 0.63 -0.72 0.00 0.00 0.00 175.10 175.35 2c7u s TYR 10 N 1.17 -0.32 0.19 5.22 1.13 -0.67 -4.53 117.35 119.54 2c7u s TYR 10 Ca 0.05 -0.02 0.04 0.00 -1.41 0.00 0.00 57.07 55.73 2c7u s TYR 10 Cb -0.14 0.58 -0.03 0.00 -1.10 0.00 0.00 41.96 41.27 2c7u s TYR 10 CO 0.04 -1.02 0.30 -1.54 -2.51 0.00 0.00 175.55 170.82 2c7u s SER 11 N -2.84 6.24 0.15 -0.18 1.04 -1.26 0.56 113.70 117.41 2c7u s SER 11 Ca 0.07 0.09 -0.12 0.00 0.48 0.00 0.00 55.95 56.47 2c7u s SER 11 Cb -0.03 -1.84 0.01 0.00 0.10 0.00 0.00 66.02 64.26 2c7u s SER 11 CO -0.03 0.00 1.56 -0.09 0.98 0.00 0.00 173.24 175.66 2c7u h ARG 12 N 1.76 0.92 -6.43 4.02 2.43 -1.54 -3.45 114.38 112.09 2c7u h ARG 12 Ca -0.50 -0.35 -0.62 0.00 -0.81 0.00 0.00 59.98 57.70 2c7u h ARG 12 Cb 1.21 -0.05 -0.14 0.00 -0.42 0.00 0.00 29.97 30.57 2c7u h ARG 12 CO 0.65 1.01 -0.73 -1.01 -1.51 0.00 0.00 179.97 178.38 2c7u s HIS 13 N -4.81 2.58 -0.07 2.20 3.76 -1.26 -5.05 115.29 112.64 2c7u s HIS 13 Ca -0.12 -0.24 -0.38 0.00 -0.15 0.00 0.00 55.06 54.17 2c7u s HIS 13 Cb 0.12 -1.24 -0.16 0.00 1.11 0.00 0.00 32.58 32.41 2c7u s HIS 13 CO 0.85 0.53 1.58 -2.30 -0.85 0.00 0.00 174.74 174.55 2c7u n PRO 14 N -0.06 1.34 -2.04 8.40 -0.02 -1.26 -4.86 135.00 136.51 2c7u n PRO 14 Ca -0.10 0.49 -0.42 0.00 -2.02 0.00 0.00 63.50 61.44 2c7u n PRO 14 Cb 0.56 -2.18 -0.03 0.00 -0.02 0.00 0.00 33.50 31.83 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 2.14 3.67 -0.10 3.55 0.00 -1.26 -5.01 121.76 124.74 2c7u s ALA 15 Ca 0.91 1.19 -0.02 0.00 0.00 0.00 0.00 51.96 54.03 2c7u s ALA 15 Cb -0.95 -3.61 0.04 0.00 0.00 0.00 0.00 23.12 18.59 2c7u s ALA 15 CO 0.54 -0.84 0.03 -1.21 0.00 0.00 0.00 175.76 174.28 2c7u s GLU 16 N 1.71 0.46 -0.04 0.00 2.02 -1.26 -5.11 118.70 116.47 2c7u s GLU 16 Ca 0.69 0.02 -0.35 0.00 0.02 0.00 0.00 54.97 55.34 2c7u s GLU 16 Cb -0.39 -1.22 -0.14 0.00 0.10 0.00 0.00 34.13 32.48 2c7u s GLU 16 CO 0.31 -0.41 1.71 0.09 0.02 0.00 0.00 175.26 176.98 2c7u n ASN 17 N 5.16 2.95 0.00 -0.19 3.02 -1.26 -1.51 115.26 123.44 2c7u n ASN 17 Ca -0.07 1.04 0.00 0.00 -0.03 0.00 0.00 54.58 55.52 2c7u n ASN 17 Cb 0.49 -1.32 0.00 0.00 -0.61 0.00 0.00 39.78 38.34 2c7u n ASN 17 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2c7u n GLY 18 N 3.89 0.75 3.35 7.41 0.00 -0.19 -5.01 105.19 115.40 2c7u n GLY 18 Ca 0.21 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 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 -0.52 3.22 0.55 1.61 1.02 -0.57 -5.00 119.74 120.06 2c7u s LYS 19 Ca 0.00 -0.72 -0.20 0.00 0.02 0.00 0.00 55.97 55.07 2c7u s LYS 19 Cb 0.00 -2.54 -0.05 0.00 -0.52 0.00 0.00 37.83 34.72 2c7u s LYS 19 CO 0.00 0.26 1.19 -1.54 -0.92 0.00 0.00 175.35 174.33 2c7u s SER 20 N 0.22 5.51 0.07 2.83 1.04 -1.26 -4.01 113.70 118.10 2c7u s SER 20 Ca -0.10 2.34 -0.01 0.00 0.48 0.00 0.00 55.95 58.66 2c7u s SER 20 Cb -0.16 -2.60 0.01 0.00 0.10 0.00 0.00 66.02 63.37 2c7u s SER 20 CO 0.06 -1.38 0.12 -3.20 0.98 0.00 0.00 173.24 169.82 2c7u n ASN 21 N -1.29 -0.33 -4.07 7.02 2.85 0.25 -4.96 115.26 114.72 2c7u n ASN 21 Ca 0.12 -1.35 -0.25 0.00 -0.11 0.00 0.00 54.58 52.99 2c7u n ASN 21 Cb 0.49 0.59 -0.16 0.00 1.24 0.00 0.00 39.78 41.94 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 -5.81 1.56 -0.22 1.20 0.40 -1.26 -1.61 117.98 112.25 2c7u s PHE 22 Ca 0.05 -0.52 -0.21 0.00 -0.60 0.00 0.00 56.93 55.65 2c7u s PHE 22 Cb -0.00 -1.10 -0.02 0.00 0.51 0.00 0.00 43.02 42.41 2c7u s PHE 22 CO 0.03 -0.23 0.64 -1.17 0.70 0.00 0.00 175.22 175.19 2c7u s LEU 23 N 0.38 4.10 -0.03 -0.37 2.96 0.13 -1.20 118.68 124.64 2c7u s LEU 23 Ca -0.10 0.78 0.01 0.00 -0.22 0.00 0.00 54.13 54.61 2c7u s LEU 23 Cb -0.14 -2.88 -0.03 0.00 0.50 0.00 0.00 46.19 43.64 2c7u s LEU 23 CO 0.03 -0.33 -0.03 0.20 -1.32 0.00 0.00 176.35 174.90 2c7u s ASN 24 N 1.33 4.90 -0.13 3.68 0.01 0.19 -2.38 114.94 122.54 2c7u s ASN 24 Ca 0.28 -0.01 -0.01 0.00 -0.71 0.00 0.00 52.86 52.41 2c7u s ASN 24 Cb -0.16 -1.26 0.03 0.00 0.41 0.00 0.00 41.25 40.28 2c7u s ASN 24 CO 0.09 0.32 -0.06 0.00 -1.51 0.00 0.00 177.10 175.94 2c7u s TYR 26 N 1.70 3.06 -0.11 0.00 5.04 -0.64 -0.81 117.35 125.59 2c7u s TYR 26 Ca 0.04 -0.80 -0.02 0.00 -2.44 0.00 0.00 57.07 53.84 2c7u s TYR 26 Cb -0.13 -2.20 -0.03 0.00 0.35 0.00 0.00 41.96 39.95 2c7u s TYR 26 CO -0.08 -0.50 -0.02 0.14 -1.34 0.00 0.00 175.55 173.75 2c7u s VAL 27 N 1.52 4.12 0.11 3.14 -7.23 -0.60 -1.42 120.40 120.04 2c7u s VAL 27 Ca 0.05 -0.30 -0.14 0.00 -1.81 0.00 0.00 61.98 59.77 2c7u s VAL 27 Cb -0.16 -2.75 0.03 0.00 0.56 0.00 0.00 36.38 34.06 2c7u s VAL 27 CO 0.01 0.56 0.34 -0.94 -0.31 0.00 0.00 175.10 174.77 2c7u s SER 28 N -0.45 -0.14 0.00 4.85 1.04 -0.80 -0.63 113.70 117.56 2c7u s SER 28 Ca 0.08 -0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.14 2c7u s SER 28 Cb -0.12 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.43 2c7u s SER 28 CO 0.02 -0.79 0.00 0.61 0.98 0.00 0.00 173.24 174.06 2c7u n GLY 29 N -0.08 0.51 3.87 7.32 0.00 -0.19 -0.43 105.19 116.19 2c7u n GLY 29 Ca -0.16 -0.47 -0.30 0.00 0.00 0.00 0.00 46.02 45.09 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 -2.00 3.38 -0.20 1.61 -0.71 -1.19 -4.19 117.98 114.68 2c7u s PHE 30 Ca 0.00 0.16 -0.15 0.00 -1.04 0.00 0.00 56.93 55.90 2c7u s PHE 30 Cb 0.00 -1.69 0.06 0.00 -1.21 0.00 0.00 43.02 40.18 2c7u s PHE 30 CO 0.00 0.55 0.52 -1.58 -1.34 0.00 0.00 175.22 173.37 2c7u s HIS 31 N -1.52 -0.67 0.66 3.49 2.46 -0.89 -1.16 115.29 117.66 2c7u s HIS 31 Ca 0.33 1.50 -0.11 0.00 0.47 0.00 0.00 55.06 57.25 2c7u s HIS 31 Cb -0.12 0.30 0.16 0.00 -0.13 0.00 0.00 32.58 32.79 2c7u s HIS 31 CO 0.26 -0.34 0.66 -0.35 -2.47 0.00 0.00 174.74 172.49 2c7u n PRO 32 N 3.53 -1.82 0.03 2.88 -0.04 -1.26 -0.07 135.00 138.25 2c7u n PRO 32 Ca -0.18 -1.04 0.13 0.00 -0.04 0.00 0.00 63.50 62.37 2c7u n PRO 32 Cb 0.56 -0.89 0.39 0.00 -0.04 0.00 0.00 33.50 33.53 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 -3.90 0.43 -4.67 3.54 3.41 -1.26 -4.80 113.62 106.36 2c7u n SER 33 Ca 0.09 0.24 -0.42 0.00 -0.26 0.00 0.00 58.87 58.52 2c7u n SER 33 Cb 0.33 -0.23 -0.03 0.00 -0.26 0.00 0.00 64.21 64.02 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 -3.54 6.52 -0.11 4.04 -0.00 -1.26 -4.96 116.67 117.36 2c7u s ASP 34 Ca 0.11 2.55 -0.23 0.00 -0.00 0.00 0.00 52.55 54.98 2c7u s ASP 34 Cb 0.16 -2.54 0.05 0.00 -0.00 0.00 0.00 42.92 40.59 2c7u s ASP 34 CO 0.62 -0.98 0.56 -0.51 -0.00 0.00 0.00 175.17 174.87 2c7u s ILE 35 N 3.70 0.01 -0.20 0.77 2.07 -1.26 -4.70 121.20 121.59 2c7u s ILE 35 Ca 0.81 -0.10 0.01 0.00 -1.41 0.00 0.00 60.65 59.96 2c7u s ILE 35 Cb -0.41 -0.84 0.03 0.00 0.13 0.00 0.00 42.46 41.37 2c7u s ILE 35 CO 0.36 -0.05 -0.15 -0.70 -1.91 0.00 0.00 174.94 172.48 2c7u s GLU 36 N -0.60 2.55 -0.14 3.50 2.12 -0.96 -5.01 118.70 120.16 2c7u s GLU 36 Ca -0.07 -0.94 0.02 0.00 0.36 0.00 0.00 54.97 54.34 2c7u s GLU 36 Cb -0.03 -2.58 0.01 0.00 0.26 0.00 0.00 34.13 31.79 2c7u s GLU 36 CO 0.05 -0.35 -0.21 0.08 -0.54 0.00 0.00 175.26 174.29 2c7u s VAL 37 N 1.28 2.01 0.02 3.70 1.01 -1.26 -1.03 120.40 126.12 2c7u s VAL 37 Ca 0.00 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2c7u s VAL 37 Cb -0.15 -1.78 -0.03 0.00 0.00 0.00 0.00 36.38 34.42 2c7u s VAL 37 CO -0.10 0.54 -0.25 -1.81 0.00 0.00 0.00 175.10 173.48 2c7u s ASP 38 N 0.85 3.20 -0.10 3.32 1.01 -0.01 -5.00 116.67 119.94 2c7u s ASP 38 Ca -0.07 -0.52 -0.12 0.00 0.71 0.00 0.00 52.55 52.56 2c7u s ASP 38 Cb -0.15 -0.36 -0.05 0.00 1.01 0.00 0.00 42.92 43.37 2c7u s ASP 38 CO -0.02 0.29 0.27 -0.76 0.21 0.00 0.00 175.17 175.15 2c7u s LEU 39 N -0.99 4.36 0.04 1.23 1.43 -1.26 -1.10 118.68 122.40 2c7u s LEU 39 Ca 0.11 0.62 0.07 0.00 -1.03 0.00 0.00 54.13 53.91 2c7u s LEU 39 Cb -0.10 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.76 2c7u s LEU 39 CO 0.01 0.27 -0.19 -0.76 0.23 0.00 0.00 176.35 175.91 2c7u s LEU 40 N -0.48 2.58 -0.19 1.79 1.43 0.16 -0.89 118.68 123.08 2c7u s LEU 40 Ca 0.18 -0.44 0.01 0.00 -1.03 0.00 0.00 54.13 52.85 2c7u s LEU 40 Cb -0.14 -1.50 0.03 0.00 0.03 0.00 0.00 46.19 44.61 2c7u s LEU 40 CO 0.06 0.25 -0.15 -0.75 0.23 0.00 0.00 176.35 176.00 2c7u s LYS 41 N -1.46 2.50 -1.37 1.70 2.20 0.43 -2.36 119.74 121.38 2c7u s LYS 41 Ca 0.15 -0.82 -0.07 0.00 -0.36 0.00 0.00 55.97 54.86 2c7u s LYS 41 Cb -0.10 -2.45 0.00 0.00 -1.51 0.00 0.00 37.83 33.77 2c7u s LYS 41 CO 0.05 -0.31 0.42 0.09 -0.36 0.00 0.00 175.35 175.25 2c7u n ASN 42 N 4.65 -1.23 -0.29 1.43 3.02 0.15 -1.85 115.26 121.14 2c7u n ASN 42 Ca -0.18 -1.09 -0.04 0.00 -0.03 0.00 0.00 54.58 53.24 2c7u n ASN 42 Cb 0.48 -2.68 -0.02 0.00 -0.61 0.00 0.00 39.78 36.96 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 -2.07 0.58 3.21 7.41 0.00 -1.26 -5.00 105.19 108.06 2c7u n GLY 43 Ca -0.26 -0.18 -0.29 0.00 0.00 0.00 0.00 46.02 45.30 2c7u n GLY 43 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2c7u s GLU 44 N -1.71 2.05 0.00 1.61 0.41 -0.77 -5.05 118.70 115.24 2c7u s GLU 44 Ca 0.00 -0.76 -0.32 0.00 -0.41 0.00 0.00 54.97 53.48 2c7u s GLU 44 Cb 0.00 -1.81 -0.10 0.00 -1.78 0.00 0.00 34.13 30.44 2c7u s GLU 44 CO 0.00 0.35 1.93 -2.13 -0.49 0.00 0.00 175.26 174.93 2c7u n ARG 45 N 2.91 2.63 -2.34 1.61 0.63 -1.26 -0.42 116.66 120.42 2c7u n ARG 45 Ca -0.17 0.96 -0.41 0.00 -0.92 0.00 0.00 57.85 57.32 2c7u n ARG 45 Cb 0.52 -2.88 -0.03 0.00 0.45 0.00 0.00 32.46 30.52 2c7u n ARG 45 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2c7u s ILE 46 N 4.18 3.32 -0.17 5.15 1.01 -0.07 -4.88 121.20 129.73 2c7u s ILE 46 Ca 0.90 1.23 0.22 0.00 0.00 0.00 0.00 60.65 62.99 2c7u s ILE 46 Cb -0.53 -3.78 -0.11 0.00 0.01 0.00 0.00 42.46 38.06 2c7u s ILE 46 CO 0.45 0.25 0.86 1.21 0.00 0.00 0.00 174.94 177.71 2c7u n GLU 47 N 1.66 0.62 -2.95 2.79 0.00 -1.26 -4.58 120.64 116.92 2c7u n GLU 47 Ca 0.02 0.04 -0.37 0.00 0.00 0.00 0.00 57.16 56.84 2c7u n GLU 47 Cb 0.44 -1.74 -0.01 0.00 0.00 0.00 0.00 31.44 30.13 2c7u n GLU 47 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 2c7u n LYS 48 N -2.57 4.28 -4.79 5.31 3.00 -1.26 -5.00 118.16 117.13 2c7u n LYS 48 Ca -0.02 -4.66 -0.33 0.00 -0.00 0.00 0.00 58.31 53.30 2c7u n LYS 48 Cb 0.58 -2.42 -0.16 0.00 0.00 0.00 0.00 35.03 33.03 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 -3.47 2.36 0.37 3.15 1.01 -1.26 -4.64 120.40 117.92 2c7u s VAL 49 Ca 0.38 -0.89 0.08 0.00 0.00 0.00 0.00 61.98 61.54 2c7u s VAL 49 Cb 0.14 -1.96 -0.02 0.00 0.00 0.00 0.00 36.38 34.55 2c7u s VAL 49 CO -0.02 0.54 0.36 -1.61 0.00 0.00 0.00 175.10 174.36 2c7u s GLU 50 N 0.63 2.69 0.06 2.72 2.02 -0.07 -4.92 118.70 121.84 2c7u s GLU 50 Ca -0.10 -1.36 -0.05 0.00 0.02 0.00 0.00 54.97 53.48 2c7u s GLU 50 Cb -0.16 -2.49 -0.02 0.00 0.10 0.00 0.00 34.13 31.56 2c7u s GLU 50 CO 0.03 -0.04 0.08 -3.38 0.02 0.00 0.00 175.26 171.96 2c7u s HIS 51 N -2.36 0.33 0.94 1.61 -3.43 -1.26 -0.03 115.29 111.09 2c7u s HIS 51 Ca 0.45 -0.80 -0.11 0.00 -0.80 0.00 0.00 55.06 53.80 2c7u s HIS 51 Cb -0.05 -0.22 0.15 0.00 -1.43 0.00 0.00 32.58 31.03 2c7u s HIS 51 CO 0.28 -0.45 1.09 -1.54 -2.00 0.00 0.00 174.74 172.12 2c7u s SER 52 N -2.79 2.99 0.06 7.38 1.04 0.26 -4.99 113.70 117.65 2c7u s SER 52 Ca 0.05 1.63 -0.30 0.00 0.48 0.00 0.00 55.95 57.81 2c7u s SER 52 Cb 0.06 -2.28 -0.05 0.00 0.10 0.00 0.00 66.02 63.85 2c7u s SER 52 CO -0.10 -2.96 1.01 -1.81 0.98 0.00 0.00 173.24 170.36 2c7u s ASP 53 N -3.13 7.37 -0.23 7.02 1.01 -1.26 -4.77 116.67 122.68 2c7u s ASP 53 Ca 0.65 1.78 -0.40 0.00 0.71 0.00 0.00 52.55 55.29 2c7u s ASP 53 Cb -0.20 -2.58 -0.16 0.00 1.01 0.00 0.00 42.92 40.99 2c7u s ASP 53 CO 0.58 -0.22 1.68 -0.11 0.21 0.00 0.00 175.17 177.31 2c7u n LEU 54 N 3.42 2.25 -4.26 1.23 7.94 -1.26 -4.98 117.00 121.34 2c7u n LEU 54 Ca 0.05 1.08 -0.16 0.00 -1.11 0.00 0.00 56.01 55.87 2c7u n LEU 54 Cb 0.49 -1.14 -0.09 0.00 0.53 0.00 0.00 43.42 43.21 2c7u n LEU 54 CO 0.52 -0.54 -0.17 -0.55 -1.11 0.00 0.00 177.39 175.55 2c7u s SER 55 N 3.06 1.06 0.11 1.96 0.15 -1.25 -5.08 113.70 113.70 2c7u s SER 55 Ca 0.96 -1.59 -0.10 0.00 0.70 0.00 0.00 55.95 55.92 2c7u s SER 55 Cb -1.06 0.47 0.00 0.00 -1.71 0.00 0.00 66.02 63.72 2c7u s SER 55 CO 0.63 -0.96 0.24 0.72 1.20 0.00 0.00 173.24 175.08 2c7u s PHE 56 N -3.75 0.12 0.76 3.44 -0.12 -1.26 -2.55 117.98 114.62 2c7u s PHE 56 Ca 0.40 -0.52 -0.06 0.00 -0.05 0.00 0.00 56.93 56.69 2c7u s PHE 56 Cb 0.04 0.00 0.11 0.00 -0.63 0.00 0.00 43.02 42.55 2c7u s PHE 56 CO 0.20 -0.60 1.07 -1.12 -0.05 0.00 0.00 175.22 174.72 2c7u s SER 57 N -2.87 4.29 0.34 1.98 0.01 -0.24 -4.93 113.70 112.27 2c7u s SER 57 Ca 0.06 0.11 0.13 0.00 1.31 0.00 0.00 55.95 57.57 2c7u s SER 57 Cb 0.04 -0.55 1.03 0.00 0.21 0.00 0.00 66.02 66.75 2c7u s SER 57 CO -0.10 -1.93 1.69 0.50 0.41 0.00 0.00 173.24 173.82 2c7u h LYS 58 N -0.78 0.41 -0.45 12.44 3.11 -2.03 0.41 116.57 129.67 2c7u h LYS 58 Ca -0.42 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.40 2c7u h LYS 58 Cb 1.28 -0.09 0.00 0.00 -1.00 0.00 0.00 32.23 32.42 2c7u h LYS 58 CO 0.48 0.27 0.00 -0.40 -2.81 0.00 0.00 179.45 176.99 2c7u n ASP 59 N -4.95 2.06 0.00 4.20 5.68 -1.26 -4.91 116.55 117.37 2c7u n ASP 59 Ca 0.30 -2.10 0.00 0.00 -0.50 0.00 0.00 54.79 52.49 2c7u n ASP 59 Cb 0.90 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.58 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 0.40 0.00 -2.70 2.11 7.02 0.13 -5.02 117.44 119.39 2c7u n TRP 60 Ca 0.11 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 56.25 2c7u n TRP 60 Cb 0.37 -0.44 -0.06 0.00 -2.42 0.00 0.00 31.31 28.76 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 -2.65 6.78 0.31 -0.99 1.04 -1.26 -4.71 113.70 112.22 2c7u s SER 61 Ca 0.00 1.82 -0.12 0.00 0.48 0.00 0.00 55.95 58.12 2c7u s SER 61 Cb 0.00 -2.55 -0.08 0.00 0.10 0.00 0.00 66.02 63.49 2c7u s SER 61 CO 0.00 -0.47 0.69 -0.36 0.98 0.00 0.00 173.24 174.07 2c7u s PHE 62 N -2.01 3.41 0.02 5.02 0.08 -0.31 -1.08 117.98 123.11 2c7u s PHE 62 Ca 0.62 1.07 0.01 0.00 0.12 0.00 0.00 56.93 58.75 2c7u s PHE 62 Cb -0.14 -2.43 -0.01 0.00 -0.57 0.00 0.00 43.02 39.88 2c7u s PHE 62 CO 0.18 0.11 -0.04 1.52 -0.10 0.00 0.00 175.22 176.88 2c7u s TYR 63 N -2.02 0.38 -0.01 0.36 1.13 -1.06 -1.02 117.35 115.12 2c7u s TYR 63 Ca 0.51 -0.30 -0.03 0.00 -1.41 0.00 0.00 57.07 55.84 2c7u s TYR 63 Cb -0.10 -0.24 -0.00 0.00 -1.10 0.00 0.00 41.96 40.51 2c7u s TYR 63 CO 0.21 -0.07 0.07 -0.51 -2.51 0.00 0.00 175.55 172.74 2c7u s LEU 64 N -0.86 1.80 -0.26 -3.49 1.43 0.20 -3.91 118.68 113.58 2c7u s LEU 64 Ca -0.06 -0.13 -0.08 0.00 -1.03 0.00 0.00 54.13 52.83 2c7u s LEU 64 Cb -0.06 0.35 -0.02 0.00 0.03 0.00 0.00 46.19 46.49 2c7u s LEU 64 CO -0.00 -0.21 0.09 -0.22 0.23 0.00 0.00 176.35 176.24 2c7u s LEU 65 N -0.80 3.61 -0.10 1.79 2.96 -1.26 -1.56 118.68 123.32 2c7u s LEU 65 Ca -0.09 -0.28 -0.06 0.00 -0.22 0.00 0.00 54.13 53.48 2c7u s LEU 65 Cb -0.05 -1.94 -0.04 0.00 0.50 0.00 0.00 46.19 44.65 2c7u s LEU 65 CO 0.00 -0.07 0.13 -0.31 -1.32 0.00 0.00 176.35 174.78 2c7u s TYR 66 N 1.61 3.55 0.02 5.38 1.51 0.01 -0.57 117.35 128.87 2c7u s TYR 66 Ca 0.06 0.47 -0.25 0.00 -1.01 0.00 0.00 57.07 56.34 2c7u s TYR 66 Cb -0.16 -1.91 0.06 0.00 -0.11 0.00 0.00 41.96 39.84 2c7u s TYR 66 CO 0.04 0.70 0.57 1.52 -1.11 0.00 0.00 175.55 177.28 2c7u s TYR 67 N -1.07 -0.50 0.01 2.71 1.13 0.96 -1.11 117.35 119.49 2c7u s TYR 67 Ca 0.17 0.66 -0.21 0.00 -1.41 0.00 0.00 57.07 56.28 2c7u s TYR 67 Cb -0.12 0.38 0.05 0.00 -1.10 0.00 0.00 41.96 41.16 2c7u s TYR 67 CO 0.06 -0.64 0.48 -0.08 -2.51 0.00 0.00 175.55 172.86 2c7u s THR 68 N -2.11 0.04 0.22 -3.49 -1.32 -1.00 -0.89 115.64 107.09 2c7u s THR 68 Ca -0.07 -0.30 -0.29 0.00 -1.21 0.00 0.00 61.69 59.82 2c7u s THR 68 Cb -0.01 -0.90 -0.09 0.00 -1.51 0.00 0.00 72.50 70.00 2c7u s THR 68 CO 0.01 -0.16 0.91 -0.70 -2.21 0.00 0.00 174.62 172.47 2c7u s GLU 69 N -1.96 4.80 0.07 7.08 2.12 -1.26 -0.70 118.70 128.85 2c7u s GLU 69 Ca -0.08 1.42 -0.22 0.00 0.36 0.00 0.00 54.97 56.45 2c7u s GLU 69 Cb -0.02 -3.28 0.05 0.00 0.26 0.00 0.00 34.13 31.15 2c7u s GLU 69 CO 0.02 0.53 0.53 -0.59 -0.54 0.00 0.00 175.26 175.20 2c7u s PHE 70 N -1.16 -0.43 -0.33 5.30 -0.71 -0.63 -4.85 117.98 115.16 2c7u s PHE 70 Ca 0.40 0.42 -0.03 0.00 -1.04 0.00 0.00 56.93 56.68 2c7u s PHE 70 Cb -0.25 0.37 0.06 0.00 -1.21 0.00 0.00 43.02 41.99 2c7u s PHE 70 CO 0.31 -0.68 0.06 0.99 -1.34 0.00 0.00 175.22 174.56 2c7u s THR 71 N -2.73 3.20 0.45 -4.49 2.01 -1.26 0.85 115.64 113.66 2c7u s THR 71 Ca -0.04 -1.49 -0.25 0.00 0.31 0.00 0.00 61.69 60.22 2c7u s THR 71 Cb -0.00 -2.91 -0.09 0.00 0.01 0.00 0.00 72.50 69.51 2c7u s THR 71 CO -0.04 -0.25 1.45 -2.65 -0.69 0.00 0.00 174.62 172.44 2c7u n PRO 72 N 4.65 2.30 -4.49 4.92 -0.02 -1.26 -4.79 135.00 136.31 2c7u n PRO 72 Ca -0.11 0.82 -0.23 0.00 -2.02 0.00 0.00 63.50 61.96 2c7u n PRO 72 Cb 0.43 -2.65 -0.11 0.00 -0.02 0.00 0.00 33.50 31.16 2c7u n PRO 72 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 2c7u s THR 73 N -1.19 1.50 0.24 3.45 -4.23 -1.26 -1.02 115.64 113.13 2c7u s THR 73 Ca 0.61 -2.02 -0.06 0.00 -1.18 0.00 0.00 61.69 59.03 2c7u s THR 73 Cb -0.45 -2.79 0.24 0.00 1.34 0.00 0.00 72.50 70.84 2c7u s THR 73 CO 0.58 -0.05 1.90 -0.08 -0.54 0.00 0.00 174.62 176.43 2c7u h GLU 74 N 2.05 1.30 0.00 3.99 4.81 -1.98 -3.32 114.58 121.43 2c7u h GLU 74 Ca -0.42 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 58.71 2c7u h GLU 74 Cb 1.24 -0.28 0.00 0.00 0.63 0.00 0.00 28.75 30.34 2c7u h GLU 74 CO 0.72 0.89 -0.98 1.63 -0.73 0.00 0.00 179.01 180.55 2c7u n LYS 75 N -4.36 1.24 -2.49 1.92 5.02 -1.26 -4.94 118.16 113.28 2c7u n LYS 75 Ca 0.11 -0.03 -0.43 0.00 -2.02 0.00 0.00 58.31 55.94 2c7u n LYS 75 Cb 0.04 -1.32 -0.02 0.00 -0.02 0.00 0.00 35.03 33.71 2c7u n LYS 75 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 2c7u s ASP 76 N -2.86 7.00 -0.12 4.39 1.01 -1.25 -5.03 116.67 119.82 2c7u s ASP 76 Ca 0.04 1.63 -0.19 0.00 0.71 0.00 0.00 52.55 54.74 2c7u s ASP 76 Cb 0.13 -2.54 -0.04 0.00 1.01 0.00 0.00 42.92 41.47 2c7u s ASP 76 CO 0.70 -0.71 0.52 -1.61 0.21 0.00 0.00 175.17 174.28 2c7u s GLU 77 N 3.22 4.33 0.09 8.23 2.02 -1.26 -4.79 118.70 130.55 2c7u s GLU 77 Ca 0.52 0.51 0.10 0.00 0.02 0.00 0.00 54.97 56.12 2c7u s GLU 77 Cb -0.20 -3.46 -0.04 0.00 0.10 0.00 0.00 34.13 30.54 2c7u s GLU 77 CO 0.14 0.10 -0.26 0.71 0.02 0.00 0.00 175.26 175.97 2c7u s TYR 78 N 0.79 2.34 0.14 1.61 2.02 -1.26 0.33 117.35 123.33 2c7u s TYR 78 Ca 0.27 -0.38 -0.15 0.00 -0.37 0.00 0.00 57.07 56.44 2c7u s TYR 78 Cb -0.15 -1.32 0.03 0.00 -0.40 0.00 0.00 41.96 40.11 2c7u s TYR 78 CO 0.11 0.26 0.40 0.00 -1.57 0.00 0.00 175.55 174.75 2c7u s ALA 79 N -0.96 -0.82 -0.18 3.71 0.00 -1.00 -0.75 121.76 121.75 2c7u s ALA 79 Ca 0.13 -0.18 -0.04 0.00 0.00 0.00 0.00 51.96 51.88 2c7u s ALA 79 Cb -0.10 0.73 -0.02 0.00 0.00 0.00 0.00 23.12 23.73 2c7u s ALA 79 CO 0.05 -0.67 -0.04 0.00 0.00 0.00 0.00 175.76 175.10 2c7u s ARG 81 N 0.86 3.40 -0.08 0.00 3.52 -0.25 -0.86 118.95 125.53 2c7u s ARG 81 Ca -0.01 -0.62 0.04 0.00 -0.13 0.00 0.00 55.73 55.00 2c7u s ARG 81 Cb -0.15 -2.95 0.00 0.00 -1.56 0.00 0.00 34.95 30.30 2c7u s ARG 81 CO 0.01 -0.10 -0.20 0.08 -0.81 0.00 0.00 175.30 174.28 2c7u s VAL 82 N 1.23 1.72 0.07 7.11 1.01 -0.38 -0.83 120.40 130.33 2c7u s VAL 82 Ca 0.03 -0.83 0.09 0.00 0.00 0.00 0.00 61.98 61.27 2c7u s VAL 82 Cb -0.14 -1.51 -0.03 0.00 0.00 0.00 0.00 36.38 34.70 2c7u s VAL 82 CO -0.02 0.49 -0.23 0.21 0.00 0.00 0.00 175.10 175.55 2c7u s ASN 83 N 0.41 3.52 -0.06 3.32 2.47 -0.20 -0.30 114.94 124.09 2c7u s ASN 83 Ca -0.16 -0.57 -0.30 0.00 0.42 0.00 0.00 52.86 52.25 2c7u s ASN 83 Cb -0.17 -0.42 0.09 0.00 -1.45 0.00 0.00 41.25 39.30 2c7u s ASN 83 CO 0.07 0.23 0.76 -2.28 -3.72 0.00 0.00 177.10 172.15 2c7u s HIS 84 N -0.96 -0.57 0.64 0.43 5.65 -1.26 -2.27 115.29 116.96 2c7u s HIS 84 Ca 0.14 0.91 0.34 0.00 0.25 0.00 0.00 55.06 56.70 2c7u s HIS 84 Cb -0.10 0.44 1.84 0.00 -1.18 0.00 0.00 32.58 33.58 2c7u s HIS 84 CO 0.05 -0.56 2.09 -0.24 -0.65 0.00 0.00 174.74 175.43 2c7u h VAL 85 N 2.78 0.15 -0.13 0.89 3.04 -1.96 0.11 116.25 121.13 2c7u h VAL 85 Ca -0.25 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.44 2c7u h VAL 85 Cb 1.16 0.80 0.00 0.00 -2.01 0.00 0.00 31.29 31.24 2c7u h VAL 85 CO 0.37 0.00 0.00 0.35 -1.01 0.00 0.00 177.57 177.28 2c7u n THR 86 N -3.23 0.17 -4.03 3.17 -2.24 -1.26 -4.83 114.28 102.03 2c7u n THR 86 Ca -0.01 -0.22 -0.30 0.00 -2.27 0.00 0.00 64.05 61.25 2c7u n THR 86 Cb 0.30 0.11 -0.16 0.00 -2.10 0.00 0.00 70.33 68.47 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 -1.39 1.64 0.38 3.22 1.43 0.40 -4.99 118.68 119.37 2c7u s LEU 87 Ca 0.25 -0.47 0.15 0.00 -1.03 0.00 0.00 54.13 53.03 2c7u s LEU 87 Cb 0.13 -1.15 0.78 0.00 0.03 0.00 0.00 46.19 45.98 2c7u s LEU 87 CO 0.20 -0.06 1.83 0.77 0.23 0.00 0.00 176.35 179.32 2c7u h SER 88 N 8.04 0.00 -5.08 2.29 4.64 -1.88 -3.43 113.55 118.13 2c7u h SER 88 Ca -0.37 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 60.81 2c7u h SER 88 Cb 1.14 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 63.05 2c7u h SER 88 CO 0.52 0.36 -0.58 0.00 -0.87 0.00 0.00 176.83 176.26 2c7u s GLN 89 N -4.10 0.54 0.44 4.77 -2.07 -1.26 -5.13 119.66 112.84 2c7u s GLN 89 Ca -0.02 -0.78 -0.23 0.00 -1.82 0.00 0.00 55.36 52.51 2c7u s GLN 89 Cb 0.14 0.20 -0.11 0.00 -1.09 0.00 0.00 33.01 32.16 2c7u s GLN 89 CO 0.71 -0.12 0.88 -2.30 -1.32 0.00 0.00 175.29 173.13 2c7u n PRO 90 N 0.86 1.09 -3.51 9.60 -0.02 -1.26 -4.94 135.00 136.82 2c7u n PRO 90 Ca -0.19 0.39 -0.40 0.00 -2.02 0.00 0.00 63.50 61.28 2c7u n PRO 90 Cb 0.58 -1.90 -0.10 0.00 -0.02 0.00 0.00 33.50 32.06 2c7u n PRO 90 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2c7u s LYS 91 N -1.96 3.67 -0.24 -0.52 2.20 0.59 -4.89 119.74 118.59 2c7u s LYS 91 Ca 0.64 -0.46 -0.15 0.00 -0.36 0.00 0.00 55.97 55.64 2c7u s LYS 91 Cb -0.56 -3.76 -0.04 0.00 -1.51 0.00 0.00 37.83 31.97 2c7u s LYS 91 CO 0.56 -0.38 0.37 0.42 -0.36 0.00 0.00 175.35 175.96 2c7u s ILE 92 N 1.82 5.20 -0.19 5.43 1.01 -1.26 -1.24 121.20 131.96 2c7u s ILE 92 Ca 0.08 0.61 -0.02 0.00 0.00 0.00 0.00 60.65 61.32 2c7u s ILE 92 Cb -0.17 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.60 2c7u s ILE 92 CO 0.11 0.21 -0.08 -0.69 0.00 0.00 0.00 174.94 174.49 2c7u s VAL 93 N 1.65 3.12 0.37 2.92 1.01 -0.04 -4.99 120.40 124.43 2c7u s VAL 93 Ca 0.16 -0.59 -0.25 0.00 0.00 0.00 0.00 61.98 61.31 2c7u s VAL 93 Cb -0.15 -2.39 -0.10 0.00 0.00 0.00 0.00 36.38 33.75 2c7u s VAL 93 CO 0.08 0.46 0.99 -0.54 0.00 0.00 0.00 175.10 176.09 2c7u s LYS 94 N 1.20 4.38 0.09 2.72 1.02 -1.26 -1.17 119.74 126.71 2c7u s LYS 94 Ca 0.02 1.37 -0.30 0.00 0.02 0.00 0.00 55.97 57.08 2c7u s LYS 94 Cb -0.14 -2.62 -0.05 0.00 -0.52 0.00 0.00 37.83 34.50 2c7u s LYS 94 CO -0.03 0.08 1.01 -0.46 -0.92 0.00 0.00 175.35 175.03 2c7u s TRP 95 N -1.71 3.70 -0.14 3.18 -0.00 0.07 -4.86 118.94 119.18 2c7u s TRP 95 Ca 0.55 1.69 -0.02 0.00 -0.00 0.00 0.00 56.10 58.32 2c7u s TRP 95 Cb -0.19 -3.15 0.05 0.00 -0.00 0.00 0.00 33.47 30.18 2c7u s TRP 95 CO 0.24 -0.14 0.02 0.34 -0.00 0.00 0.00 176.95 177.41 2c7u s ASP 96 N 0.34 2.35 0.58 5.86 -1.08 -1.26 -4.82 116.67 118.63 2c7u s ASP 96 Ca 0.50 -0.51 0.33 0.00 -0.52 0.00 0.00 52.55 52.35 2c7u s ASP 96 Cb -0.24 -0.53 1.79 0.00 -1.46 0.00 0.00 42.92 42.48 2c7u s ASP 96 CO 0.30 -0.26 2.19 0.08 0.52 0.00 0.00 175.17 178.01 2c7u h ARG 97 N 8.28 0.00 -1.66 4.34 0.11 -1.95 -2.19 114.38 121.30 2c7u h ARG 97 Ca -0.18 0.00 -0.57 0.00 0.10 0.00 0.00 59.98 59.33 2c7u h ARG 97 Cb 1.12 0.00 -0.22 0.00 1.11 0.00 0.00 29.97 31.99 2c7u h ARG 97 CO 0.31 0.05 0.68 -3.47 0.10 0.00 0.00 179.97 177.64 2c7u n ASP 98 N -3.50 7.03 0.00 0.08 4.64 -1.26 -4.86 116.55 118.68 2c7u n ASP 98 Ca -0.02 -3.47 0.00 0.00 -1.38 0.00 0.00 54.79 49.92 2c7u n ASP 98 Cb 0.16 -1.10 0.00 0.00 -1.04 0.00 0.00 41.12 39.14 2c7u n ASP 98 CO 0.00 0.00 0.00 0.80 -0.82 0.00 0.00 177.20 177.18