#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rg8 n HIS -2 N 0.00 0.03 -4.15 4.41 -0.00 -1.26 -5.00 115.22 109.24 1rg8 n HIS -2 Ca 0.00 0.01 -0.10 0.00 -0.00 0.00 0.00 57.72 57.62 1rg8 n HIS -2 Cb 0.00 -0.13 -0.10 0.00 -0.00 0.00 0.00 29.99 29.76 1rg8 n HIS -2 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1rg8 s HIS -1 N -3.05 0.84 1.34 4.41 3.76 -1.26 -5.04 115.29 116.30 1rg8 s HIS -1 Ca 0.07 -0.89 -0.19 0.00 -0.15 0.00 0.00 55.06 53.90 1rg8 s HIS -1 Cb 0.16 -0.49 0.34 0.00 1.11 0.00 0.00 32.58 33.70 1rg8 s HIS -1 CO 0.82 -0.16 0.96 -3.38 -0.85 0.00 0.00 174.74 172.13 1rg8 s HIS 0 N -3.46 0.05 -0.20 1.40 -3.43 -1.26 -5.01 115.29 103.37 1rg8 s HIS 0 Ca 0.10 0.77 0.20 0.00 -0.80 0.00 0.00 55.06 55.33 1rg8 s HIS 0 Cb 0.04 -2.96 0.48 0.00 -1.43 0.00 0.00 32.58 28.70 1rg8 s HIS 0 CO -0.05 -4.64 1.15 0.34 -2.00 0.00 0.00 174.74 169.54 1rg8 n PHE 1 N -5.41 1.11 -2.67 0.38 7.35 -1.26 -5.02 117.46 111.93 1rg8 n PHE 1 Ca 0.09 -1.71 -0.43 0.00 -0.76 0.00 0.00 57.45 54.64 1rg8 n PHE 1 Cb 0.58 -0.23 -0.02 0.00 0.35 0.00 0.00 39.48 40.16 1rg8 n PHE 1 CO 0.00 0.00 0.00 -0.80 -0.76 0.00 0.00 176.76 175.20 1rg8 s ASN 2 N -3.30 7.17 0.07 -2.13 0.01 -1.26 -5.03 114.94 110.47 1rg8 s ASN 2 Ca 0.33 1.45 0.03 0.00 -0.71 0.00 0.00 52.86 53.96 1rg8 s ASN 2 Cb 0.36 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 39.43 1rg8 s ASN 2 CO -0.06 -0.57 0.08 -0.76 -1.51 0.00 0.00 177.10 174.28 1rg8 s LEU 3 N 2.66 3.83 0.72 0.60 1.43 -1.26 -0.97 118.68 125.68 1rg8 s LEU 3 Ca 0.46 0.02 -0.11 0.00 -1.03 0.00 0.00 54.13 53.47 1rg8 s LEU 3 Cb -0.16 -2.48 0.02 0.00 0.03 0.00 0.00 46.19 43.60 1rg8 s LEU 3 CO 0.11 0.18 1.07 -2.16 0.23 0.00 0.00 176.35 175.79 1rg8 s PRO 4 N -2.32 2.76 0.39 1.29 0.04 -1.26 -4.56 135.00 131.34 1rg8 s PRO 4 Ca 0.29 0.79 0.25 0.00 0.04 0.00 0.00 61.00 62.37 1rg8 s PRO 4 Cb -0.12 -1.98 0.64 0.00 0.04 0.00 0.00 34.50 33.07 1rg8 s PRO 4 CO 0.21 -1.18 1.71 -1.00 0.04 0.00 0.00 177.00 176.78 1rg8 h PRO 5 N -0.77 0.00 0.00 0.56 0.13 -1.98 -3.47 132.00 126.47 1rg8 h PRO 5 Ca -0.45 0.00 -0.37 0.00 -0.87 0.00 0.00 66.00 64.31 1rg8 h PRO 5 Cb 1.23 0.00 0.16 0.00 0.13 0.00 0.00 31.00 32.52 1rg8 h PRO 5 CO 0.59 0.00 0.32 0.41 -0.23 0.00 0.00 178.00 179.09 1rg8 n GLY 6 N 0.95 -1.69 2.32 1.56 0.00 -1.26 -5.11 105.19 101.95 1rg8 n GLY 6 Ca 0.04 -1.67 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 1rg8 n GLY 6 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1rg8 n ASN 7 N -3.92 0.50 -0.43 1.61 0.23 -1.26 -5.08 115.26 106.92 1rg8 n ASN 7 Ca 0.14 -2.53 0.06 0.00 -0.53 0.00 0.00 54.58 51.72 1rg8 n ASN 7 Cb 0.51 0.90 0.14 0.00 -2.08 0.00 0.00 39.78 39.25 1rg8 n ASN 7 CO 0.00 0.00 0.00 -1.22 -0.93 0.00 0.00 177.26 175.11 1rg8 n TYR 8 N -0.57 0.38 0.25 -2.53 4.01 -1.26 -4.70 117.16 112.74 1rg8 n TYR 8 Ca -0.00 -0.68 0.11 0.00 -0.16 0.00 0.00 57.90 57.16 1rg8 n TYR 8 Cb 0.43 -0.13 0.68 0.00 -0.31 0.00 0.00 39.34 40.01 1rg8 n TYR 8 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 1rg8 h LYS 9 N 1.07 0.00 -5.85 -0.72 1.57 -1.98 -3.44 116.57 107.22 1rg8 h LYS 9 Ca 0.00 0.00 -0.50 0.00 -1.87 0.00 0.00 60.65 58.28 1rg8 h LYS 9 Cb 0.90 0.00 -0.20 0.00 0.08 0.00 0.00 32.23 33.01 1rg8 h LYS 9 CO 0.05 0.13 -0.79 0.15 -0.57 0.00 0.00 179.45 178.43 1rg8 s LYS 10 N -4.31 1.12 0.89 3.15 1.02 -1.26 -5.14 119.74 115.20 1rg8 s LYS 10 Ca -0.03 -1.23 -0.10 0.00 0.02 0.00 0.00 55.97 54.63 1rg8 s LYS 10 Cb 0.14 -1.21 0.13 0.00 -0.52 0.00 0.00 37.83 36.37 1rg8 s LYS 10 CO 0.61 0.26 1.13 -1.25 -0.92 0.00 0.00 175.35 175.18 1rg8 s PRO 11 N -2.32 1.26 0.14 -1.68 0.04 -1.26 -4.74 135.00 126.44 1rg8 s PRO 11 Ca 0.09 1.44 -0.05 0.00 0.04 0.00 0.00 61.00 62.51 1rg8 s PRO 11 Cb -0.08 -1.76 -0.02 0.00 0.04 0.00 0.00 34.50 32.68 1rg8 s PRO 11 CO 0.04 -2.42 0.17 0.15 0.04 0.00 0.00 177.00 174.98 1rg8 s LYS 12 N -4.71 1.01 -0.03 4.56 -0.14 0.18 -4.42 119.74 116.20 1rg8 s LYS 12 Ca 0.65 -1.26 -0.04 0.00 -1.36 0.00 0.00 55.97 53.96 1rg8 s LYS 12 Cb -0.21 0.31 -0.04 0.00 -1.68 0.00 0.00 37.83 36.21 1rg8 s LYS 12 CO 0.58 -0.33 0.19 -0.51 -0.76 0.00 0.00 175.35 174.51 1rg8 s LEU 13 N -2.99 4.37 -0.37 3.17 1.43 0.28 -0.59 118.68 123.99 1rg8 s LEU 13 Ca 0.18 0.39 -0.07 0.00 -1.03 0.00 0.00 54.13 53.61 1rg8 s LEU 13 Cb 0.05 -2.53 0.06 0.00 0.03 0.00 0.00 46.19 43.80 1rg8 s LEU 13 CO -0.01 0.29 0.16 -0.76 0.23 0.00 0.00 176.35 176.26 1rg8 s LEU 14 N -1.77 4.65 -0.23 1.79 1.43 -1.26 -0.83 118.68 122.46 1rg8 s LEU 14 Ca 0.25 -1.36 -0.11 0.00 -1.03 0.00 0.00 54.13 51.88 1rg8 s LEU 14 Cb -0.13 -1.89 -0.05 0.00 0.03 0.00 0.00 46.19 44.16 1rg8 s LEU 14 CO 0.16 -0.41 0.20 -0.47 0.23 0.00 0.00 176.35 176.06 1rg8 s TYR 15 N 1.37 3.32 -0.32 0.29 5.04 -0.30 -1.30 117.35 125.44 1rg8 s TYR 15 Ca 0.01 0.28 -0.12 0.00 -2.44 0.00 0.00 57.07 54.80 1rg8 s TYR 15 Cb -0.21 -2.31 -0.02 0.00 0.35 0.00 0.00 41.96 39.77 1rg8 s TYR 15 CO 0.02 0.05 0.21 0.00 -1.34 0.00 0.00 175.55 174.48 1rg8 h SER 17 N 8.44 0.00 -0.53 0.00 4.64 -1.83 0.35 113.55 124.61 1rg8 h SER 17 Ca -0.32 0.00 0.02 0.00 -0.47 0.00 0.00 61.79 61.02 1rg8 h SER 17 Cb 1.16 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.22 1rg8 h SER 17 CO 0.61 0.00 0.32 -1.13 -0.87 0.00 0.00 176.83 175.76 1rg8 h ASN 18 N 0.00 0.52 0.00 4.97 -1.24 -1.84 -3.23 115.58 114.76 1rg8 h ASN 18 Ca 0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 1rg8 h ASN 18 Cb 0.11 -0.11 0.00 0.00 0.73 0.00 0.00 38.32 39.05 1rg8 h ASN 18 CO 0.00 0.37 0.00 0.61 -1.29 0.00 0.00 177.43 177.12 1rg8 n GLY 19 N -1.24 0.12 2.16 1.57 0.00 -1.22 -4.71 105.19 101.87 1rg8 n GLY 19 Ca 0.04 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 45.98 1rg8 n GLY 19 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rg8 n GLY 20 N 0.45 0.05 3.44 -0.02 0.00 0.12 -5.02 105.19 104.20 1rg8 n GLY 20 Ca 0.00 -0.12 -0.30 0.00 0.00 0.00 0.00 46.02 45.60 1rg8 n GLY 20 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1rg8 s HIS 21 N -3.17 2.51 -0.01 1.61 3.76 -0.91 -4.47 115.29 114.61 1rg8 s HIS 21 Ca 0.06 -0.29 -0.21 0.00 -0.15 0.00 0.00 55.06 54.47 1rg8 s HIS 21 Cb -0.01 -1.43 -0.05 0.00 1.11 0.00 0.00 32.58 32.20 1rg8 s HIS 21 CO 0.33 0.25 0.62 -0.06 -0.85 0.00 0.00 174.74 175.03 1rg8 s PHE 22 N -0.94 3.67 0.19 1.40 0.08 0.14 -0.49 117.98 122.04 1rg8 s PHE 22 Ca 0.14 1.22 -0.31 0.00 0.12 0.00 0.00 56.93 58.11 1rg8 s PHE 22 Cb -0.10 -2.65 -0.10 0.00 -0.57 0.00 0.00 43.02 39.60 1rg8 s PHE 22 CO 0.05 0.31 1.46 -1.17 -0.10 0.00 0.00 175.22 175.77 1rg8 s LEU 23 N -0.03 4.38 -0.02 -0.37 2.96 -0.42 -1.46 118.68 123.72 1rg8 s LEU 23 Ca 0.32 2.56 0.03 0.00 -0.22 0.00 0.00 54.13 56.82 1rg8 s LEU 23 Cb -0.18 -3.61 -0.00 0.00 0.50 0.00 0.00 46.19 42.90 1rg8 s LEU 23 CO 0.18 -0.71 -0.11 -0.60 -1.32 0.00 0.00 176.35 173.79 1rg8 s ARG 24 N 0.40 0.98 -0.30 1.98 3.52 0.32 -4.41 118.95 121.44 1rg8 s ARG 24 Ca 0.63 -0.38 -0.01 0.00 -0.13 0.00 0.00 55.73 55.85 1rg8 s ARG 24 Cb -0.41 -0.93 0.06 0.00 -1.56 0.00 0.00 34.95 32.11 1rg8 s ARG 24 CO 0.37 0.19 -0.01 0.42 -0.81 0.00 0.00 175.30 175.46 1rg8 s ILE 25 N -0.07 2.81 0.60 4.11 1.01 -0.93 -1.65 121.20 127.08 1rg8 s ILE 25 Ca 0.01 -1.53 -0.12 0.00 0.00 0.00 0.00 60.65 59.01 1rg8 s ILE 25 Cb -0.06 -2.66 -0.04 0.00 0.01 0.00 0.00 42.46 39.70 1rg8 s ILE 25 CO 0.00 -0.15 1.02 -0.76 0.00 0.00 0.00 174.94 175.05 1rg8 s LEU 26 N 1.20 3.32 0.44 2.97 1.43 0.88 -4.83 118.68 124.08 1rg8 s LEU 26 Ca -0.04 1.48 0.21 0.00 -1.03 0.00 0.00 54.13 54.75 1rg8 s LEU 26 Cb -0.20 -4.48 1.17 0.00 0.03 0.00 0.00 46.19 42.71 1rg8 s LEU 26 CO -0.02 -0.87 1.84 -0.65 0.23 0.00 0.00 176.35 176.88 1rg8 h PRO 27 N -0.05 0.31 -0.04 1.29 0.11 -1.98 -0.42 132.00 131.23 1rg8 h PRO 27 Ca -0.45 -0.02 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1rg8 h PRO 27 Cb 1.19 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.23 1rg8 h PRO 27 CO 0.61 0.21 0.00 -0.40 -0.21 0.00 0.00 178.00 178.21 1rg8 n ASP 28 N -4.48 0.37 0.00 -2.05 5.75 -1.26 -4.87 116.55 110.00 1rg8 n ASP 28 Ca 0.20 -1.54 0.00 0.00 -0.01 0.00 0.00 54.79 53.45 1rg8 n ASP 28 Cb 0.79 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.86 1rg8 n ASP 28 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1rg8 n GLY 29 N 0.84 0.49 3.75 6.12 0.00 -0.16 -4.98 105.19 111.24 1rg8 n GLY 29 Ca 0.13 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.74 1rg8 n GLY 29 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rg8 s THR 30 N -2.20 2.83 -0.12 2.61 2.01 -1.26 -0.46 115.64 119.04 1rg8 s THR 30 Ca 0.00 0.71 -0.01 0.00 0.31 0.00 0.00 61.69 62.70 1rg8 s THR 30 Cb 0.00 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.03 1rg8 s THR 30 CO 0.00 0.12 -0.08 -0.69 -0.69 0.00 0.00 174.62 173.29 1rg8 s VAL 31 N -0.21 3.56 0.00 3.82 1.01 -1.26 -0.09 120.40 127.23 1rg8 s VAL 31 Ca 0.56 -0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1rg8 s VAL 31 Cb -0.40 -2.50 0.00 0.00 0.00 0.00 0.00 36.38 33.48 1rg8 s VAL 31 CO 0.44 0.54 0.00 -0.90 0.00 0.00 0.00 175.10 175.18 1rg8 n ASP 32 N 3.09 0.00 -4.26 3.32 5.75 -0.66 -4.47 116.55 119.33 1rg8 n ASP 32 Ca -0.18 -0.17 -0.18 0.00 -0.01 0.00 0.00 54.79 54.25 1rg8 n ASP 32 Cb 0.53 0.00 -0.11 0.00 -1.03 0.00 0.00 41.12 40.51 1rg8 n ASP 32 CO 0.00 0.00 0.00 -0.83 -0.11 0.00 0.00 177.20 176.26 1rg8 s GLY 33 N -0.17 1.13 0.03 6.12 0.00 0.32 -0.52 107.32 114.23 1rg8 s GLY 33 Ca 0.00 -1.33 0.01 0.00 0.00 0.00 0.00 44.72 43.40 1rg8 s GLY 33 CO 0.00 -1.39 -0.06 -1.08 0.00 0.00 0.00 173.10 170.57 1rg8 s THR 34 N -2.17 0.39 -1.85 0.90 -1.32 -0.54 -4.81 115.64 106.24 1rg8 s THR 34 Ca 0.10 -0.99 0.28 0.00 -1.21 0.00 0.00 61.69 59.87 1rg8 s THR 34 Cb -0.05 -0.48 0.40 0.00 -1.51 0.00 0.00 72.50 70.86 1rg8 s THR 34 CO 0.04 -0.40 1.72 0.54 -2.21 0.00 0.00 174.62 174.30 1rg8 n ARG 35 N 1.57 0.93 -2.91 7.08 1.74 -1.26 -0.68 116.66 123.12 1rg8 n ARG 35 Ca -0.23 -0.47 -0.43 0.00 -0.77 0.00 0.00 57.85 55.95 1rg8 n ARG 35 Cb 0.55 -1.49 -0.05 0.00 -1.02 0.00 0.00 32.46 30.45 1rg8 n ARG 35 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1rg8 s ASP 36 N -2.39 6.36 0.36 0.55 2.15 -1.26 -4.89 116.67 117.56 1rg8 s ASP 36 Ca 0.29 -0.29 0.27 0.00 0.43 0.00 0.00 52.55 53.25 1rg8 s ASP 36 Cb 0.20 -2.41 1.10 0.00 -0.30 0.00 0.00 42.92 41.51 1rg8 s ASP 36 CO 0.47 -1.08 1.81 -0.09 -0.17 0.00 0.00 175.17 176.11 1rg8 h ARG 37 N 9.15 0.00 -0.01 4.34 2.43 -2.00 -2.40 114.38 125.89 1rg8 h ARG 37 Ca -0.26 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.91 1rg8 h ARG 37 Cb 1.08 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.63 1rg8 h ARG 37 CO 1.03 0.00 -0.13 -1.13 -1.51 0.00 0.00 179.97 178.22 1rg8 n SER 38 N -2.55 1.05 -4.72 -3.80 3.41 -1.26 -4.96 113.62 100.80 1rg8 n SER 38 Ca 0.02 -1.05 -0.43 0.00 -0.26 0.00 0.00 58.87 57.15 1rg8 n SER 38 Cb 0.27 0.05 -0.02 0.00 -0.26 0.00 0.00 64.21 64.25 1rg8 n SER 38 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1rg8 n ASP 39 N -0.44 3.43 0.00 4.04 -0.08 -0.90 -4.89 116.55 117.70 1rg8 n ASP 39 Ca 0.15 1.15 0.13 0.00 -1.51 0.00 0.00 54.79 54.71 1rg8 n ASP 39 Cb 0.33 -1.53 0.64 0.00 2.34 0.00 0.00 41.12 42.89 1rg8 n ASP 39 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1rg8 n GLN 40 N 2.07 0.20 -0.41 -0.67 6.02 -1.26 -3.63 117.38 119.69 1rg8 n GLN 40 Ca 0.10 0.03 0.09 0.00 -0.01 0.00 0.00 57.00 57.20 1rg8 n GLN 40 Cb 0.35 -1.50 0.28 0.00 1.02 0.00 0.00 30.24 30.38 1rg8 n GLN 40 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 177.06 176.77 1rg8 n HIS 41 N -1.39 0.99 0.79 1.08 8.25 -1.26 -4.26 115.22 119.42 1rg8 n HIS 41 Ca 0.10 -0.59 0.09 0.00 -0.26 0.00 0.00 57.72 57.06 1rg8 n HIS 41 Cb 0.27 -0.13 0.02 0.00 1.12 0.00 0.00 29.99 31.26 1rg8 n HIS 41 CO 0.00 0.00 0.00 0.44 0.64 0.00 0.00 176.34 177.42 1rg8 n ILE 42 N 0.84 0.00 -2.78 1.59 -5.35 -1.24 -2.18 119.36 110.24 1rg8 n ILE 42 Ca 0.21 -0.36 -0.42 0.00 -0.27 0.00 0.00 62.75 61.90 1rg8 n ILE 42 Cb 0.69 1.26 -0.03 0.00 -1.74 0.00 0.00 39.64 39.81 1rg8 n ILE 42 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1rg8 s GLN 43 N -1.94 4.07 -0.02 6.28 1.11 -1.26 -4.44 119.66 123.46 1rg8 s GLN 43 Ca 0.17 0.93 0.07 0.00 0.01 0.00 0.00 55.36 56.54 1rg8 s GLN 43 Cb 0.15 -3.71 -0.02 0.00 -1.01 0.00 0.00 33.01 28.42 1rg8 s GLN 43 CO 0.40 -0.74 -0.24 -0.51 0.01 0.00 0.00 175.29 174.22 1rg8 s LEU 44 N 3.24 2.20 -0.28 2.90 1.43 0.24 -1.62 118.68 126.80 1rg8 s LEU 44 Ca 0.39 -0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.02 1rg8 s LEU 44 Cb -0.14 -1.38 0.02 0.00 0.03 0.00 0.00 46.19 44.72 1rg8 s LEU 44 CO 0.12 0.32 0.02 -1.58 0.23 0.00 0.00 176.35 175.46 1rg8 s GLN 45 N -0.71 2.95 0.27 1.70 2.00 0.56 -0.65 119.66 125.79 1rg8 s GLN 45 Ca 0.11 -0.93 -0.12 0.00 -2.00 0.00 0.00 55.36 52.42 1rg8 s GLN 45 Cb -0.10 -3.21 -0.08 0.00 0.80 0.00 0.00 33.01 30.42 1rg8 s GLN 45 CO -0.00 -0.44 0.64 -0.51 -0.50 0.00 0.00 175.29 174.48 1rg8 s LEU 46 N 1.42 4.12 0.01 3.68 1.02 -1.26 -1.23 118.68 126.44 1rg8 s LEU 46 Ca 0.01 1.09 -0.05 0.00 0.02 0.00 0.00 54.13 55.21 1rg8 s LEU 46 Cb -0.17 -3.87 -0.01 0.00 0.02 0.00 0.00 46.19 42.16 1rg8 s LEU 46 CO -0.00 -0.14 0.08 -0.94 0.02 0.00 0.00 176.35 175.37 1rg8 s SER 47 N -2.32 0.11 0.31 2.29 1.04 -0.68 -4.83 113.70 109.63 1rg8 s SER 47 Ca 0.51 -0.34 -0.13 0.00 0.48 0.00 0.00 55.95 56.46 1rg8 s SER 47 Cb -0.11 0.17 -0.08 0.00 0.10 0.00 0.00 66.02 66.10 1rg8 s SER 47 CO 0.19 -0.37 0.70 0.00 0.98 0.00 0.00 173.24 174.74 1rg8 s ALA 48 N -1.57 3.38 0.00 5.32 0.00 -1.26 -0.86 121.76 126.76 1rg8 s ALA 48 Ca -0.14 -0.05 0.00 0.00 0.00 0.00 0.00 51.96 51.77 1rg8 s ALA 48 Cb -0.08 -2.69 0.00 0.00 0.00 0.00 0.00 23.12 20.35 1rg8 s ALA 48 CO 0.00 0.34 0.00 -1.91 0.00 0.00 0.00 175.76 174.19 1rg8 n GLU 49 N -0.41 0.00 -1.94 0.00 4.07 -0.73 -4.88 120.64 116.76 1rg8 n GLU 49 Ca 0.03 0.00 -0.29 0.00 -0.06 0.00 0.00 57.16 56.84 1rg8 n GLU 49 Cb 0.53 0.00 0.11 0.00 -0.06 0.00 0.00 31.44 32.02 1rg8 n GLU 49 CO 0.00 0.00 0.00 -1.12 -0.06 0.00 0.00 177.13 175.95 1rg8 s SER 50 N -0.48 4.28 0.13 4.31 0.01 -1.26 -4.90 113.70 115.78 1rg8 s SER 50 Ca 0.00 0.65 -0.33 0.00 1.31 0.00 0.00 55.95 57.58 1rg8 s SER 50 Cb 0.00 -1.08 -0.13 0.00 0.21 0.00 0.00 66.02 65.02 1rg8 s SER 50 CO 0.00 -2.03 1.66 0.52 0.41 0.00 0.00 173.24 173.80 1rg8 n VAL 51 N -3.36 0.12 -0.79 3.43 0.31 -1.26 -1.16 118.33 115.61 1rg8 n VAL 51 Ca 0.09 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.40 1rg8 n VAL 51 Cb 0.61 -1.70 0.00 0.00 -0.91 0.00 0.00 33.84 31.83 1rg8 n VAL 51 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1rg8 n GLY 52 N 3.70 0.93 3.61 2.92 0.00 -1.26 -5.03 105.19 110.07 1rg8 n GLY 52 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.85 1rg8 n GLY 52 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rg8 s GLU 53 N -0.19 3.15 0.06 1.61 2.02 -0.31 -1.20 118.70 123.84 1rg8 s GLU 53 Ca 0.00 -0.46 0.02 0.00 0.02 0.00 0.00 54.97 54.55 1rg8 s GLU 53 Cb 0.00 -2.80 -0.03 0.00 0.10 0.00 0.00 34.13 31.40 1rg8 s GLU 53 CO 0.00 0.56 -0.08 0.14 0.02 0.00 0.00 175.26 175.89 1rg8 s VAL 54 N -0.49 0.63 0.04 2.63 -7.23 0.27 -1.77 120.40 114.48 1rg8 s VAL 54 Ca 0.08 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.99 1rg8 s VAL 54 Cb -0.12 -0.84 -0.04 0.00 0.56 0.00 0.00 36.38 35.94 1rg8 s VAL 54 CO 0.02 -0.45 0.19 -0.31 -0.31 0.00 0.00 175.10 174.24 1rg8 s TYR 55 N -1.76 3.50 -0.24 2.82 2.02 -0.04 -1.13 117.35 122.53 1rg8 s TYR 55 Ca -0.05 0.27 0.02 0.00 -0.37 0.00 0.00 57.07 56.93 1rg8 s TYR 55 Cb -0.07 -1.77 0.06 0.00 -0.40 0.00 0.00 41.96 39.77 1rg8 s TYR 55 CO -0.00 0.60 -0.08 0.42 -1.57 0.00 0.00 175.55 174.92 1rg8 s ILE 56 N -1.45 1.79 -0.10 2.71 1.01 -1.26 -1.68 121.20 122.22 1rg8 s ILE 56 Ca 0.32 -1.36 0.02 0.00 0.00 0.00 0.00 60.65 59.63 1rg8 s ILE 56 Cb -0.13 -1.98 -0.02 0.00 0.01 0.00 0.00 42.46 40.35 1rg8 s ILE 56 CO 0.25 -0.05 -0.15 -0.75 0.00 0.00 0.00 174.94 174.24 1rg8 s LYS 57 N 1.28 3.06 -0.04 2.79 2.20 -0.37 -0.71 119.74 127.95 1rg8 s LYS 57 Ca -0.07 -0.72 -0.30 0.00 -0.36 0.00 0.00 55.97 54.52 1rg8 s LYS 57 Cb -0.19 -2.50 -0.07 0.00 -1.51 0.00 0.00 37.83 33.56 1rg8 s LYS 57 CO -0.06 0.33 1.91 0.45 -0.36 0.00 0.00 175.35 177.62 1rg8 s SER 58 N 0.03 6.33 0.32 1.43 0.15 0.34 -0.33 113.70 121.98 1rg8 s SER 58 Ca -0.05 2.37 0.12 0.00 0.70 0.00 0.00 55.95 59.09 1rg8 s SER 58 Cb -0.15 -2.53 0.53 0.00 -1.71 0.00 0.00 66.02 62.16 1rg8 s SER 58 CO 0.04 -1.19 1.70 0.71 1.20 0.00 0.00 173.24 175.71 1rg8 h THR 59 N 5.90 1.31 -0.07 6.45 1.35 -1.64 -0.46 112.91 125.75 1rg8 h THR 59 Ca -0.45 -1.76 -0.22 0.00 -0.55 0.00 0.00 66.41 63.43 1rg8 h THR 59 Cb 1.22 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 69.61 1rg8 h THR 59 CO 0.95 0.49 -0.84 -0.08 -0.25 0.00 0.00 175.52 175.80 1rg8 h GLU 60 N 0.00 0.56 0.00 4.72 4.57 -1.79 -3.37 114.58 119.26 1rg8 h GLU 60 Ca -0.01 -0.50 0.00 0.00 -1.18 0.00 0.00 59.36 57.67 1rg8 h GLU 60 Cb 0.92 0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.64 1rg8 h GLU 60 CO 0.07 1.13 -1.21 0.25 -1.18 0.00 0.00 179.01 178.06 1rg8 n THR 61 N -3.85 0.00 -0.88 0.32 -2.24 -1.23 -5.03 114.28 101.38 1rg8 n THR 61 Ca -0.07 -0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.50 1rg8 n THR 61 Cb 0.77 0.43 0.00 0.00 -2.10 0.00 0.00 70.33 69.43 1rg8 n THR 61 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1rg8 n GLY 62 N 1.89 0.58 3.77 3.38 0.00 -0.18 -5.03 105.19 109.60 1rg8 n GLY 62 Ca -0.01 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.65 1rg8 n GLY 62 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rg8 s GLN 63 N -0.42 3.59 -0.06 1.61 -0.21 -1.26 -4.73 119.66 118.17 1rg8 s GLN 63 Ca 0.00 1.69 -0.03 0.00 0.02 0.00 0.00 55.36 57.04 1rg8 s GLN 63 Cb 0.00 -2.23 -0.04 0.00 1.00 0.00 0.00 33.01 31.75 1rg8 s GLN 63 CO 0.00 -0.68 0.09 0.71 -2.12 0.00 0.00 175.29 173.30 1rg8 s TYR 64 N -1.65 3.39 0.27 0.91 1.51 -0.34 -0.50 117.35 120.94 1rg8 s TYR 64 Ca 0.68 0.33 -0.30 0.00 -1.01 0.00 0.00 57.07 56.77 1rg8 s TYR 64 Cb -0.26 -1.83 -0.10 0.00 -0.11 0.00 0.00 41.96 39.66 1rg8 s TYR 64 CO 0.31 0.61 1.37 -1.17 -1.11 0.00 0.00 175.55 175.56 1rg8 s LEU 65 N -1.31 4.40 0.06 -1.29 2.96 0.12 -0.34 118.68 123.28 1rg8 s LEU 65 Ca 0.18 2.63 0.00 0.00 -0.22 0.00 0.00 54.13 56.73 1rg8 s LEU 65 Cb -0.12 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 42.91 1rg8 s LEU 65 CO 0.08 -0.62 -0.05 0.00 -1.32 0.00 0.00 176.35 174.45 1rg8 s ALA 66 N -0.38 0.57 -0.09 5.97 0.00 0.07 -4.32 121.76 123.58 1rg8 s ALA 66 Ca 0.55 -1.08 0.01 0.00 0.00 0.00 0.00 51.96 51.44 1rg8 s ALA 66 Cb -0.40 0.19 0.02 0.00 0.00 0.00 0.00 23.12 22.93 1rg8 s ALA 66 CO 0.46 -0.25 -0.11 1.41 0.00 0.00 0.00 175.76 177.27 1rg8 s MET 67 N -3.16 1.75 0.73 0.00 1.75 -0.56 -1.11 119.30 118.70 1rg8 s MET 67 Ca 0.02 -0.38 -0.09 0.00 -1.25 0.00 0.00 55.69 53.99 1rg8 s MET 67 Cb 0.02 -1.59 0.16 0.00 2.84 0.00 0.00 34.83 36.26 1rg8 s MET 67 CO -0.06 -0.11 0.99 -0.40 -0.65 0.00 0.00 175.02 174.79 1rg8 n ASP 68 N 4.35 0.43 0.00 1.11 5.68 -0.37 -4.81 116.55 122.95 1rg8 n ASP 68 Ca -0.18 -1.58 0.11 0.00 -0.50 0.00 0.00 54.79 52.64 1rg8 n ASP 68 Cb 0.51 -0.72 0.55 0.00 -1.14 0.00 0.00 41.12 40.32 1rg8 n ASP 68 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 1rg8 n THR 69 N -3.18 0.33 0.93 2.12 -2.24 -1.26 -0.67 114.28 110.30 1rg8 n THR 69 Ca 0.14 0.08 0.12 0.00 -2.27 0.00 0.00 64.05 62.12 1rg8 n THR 69 Cb 0.47 -0.69 0.28 0.00 -2.10 0.00 0.00 70.33 68.29 1rg8 n THR 69 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1rg8 n ASP 70 N -1.37 2.55 0.00 3.42 8.00 -1.26 -4.96 116.55 122.94 1rg8 n ASP 70 Ca 0.09 -1.84 0.00 0.00 0.71 0.00 0.00 54.79 53.75 1rg8 n ASP 70 Cb 0.22 -0.11 0.00 0.00 -0.02 0.00 0.00 41.12 41.21 1rg8 n ASP 70 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1rg8 n GLY 71 N 1.32 0.52 3.86 0.44 0.00 0.16 -4.61 105.19 106.87 1rg8 n GLY 71 Ca 0.17 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 1rg8 n GLY 71 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rg8 s LEU 72 N 0.00 4.31 0.39 0.99 1.02 -1.26 -0.11 118.68 124.03 1rg8 s LEU 72 Ca 0.00 0.44 -0.23 0.00 0.02 0.00 0.00 54.13 54.36 1rg8 s LEU 72 Cb 0.00 -2.05 -0.10 0.00 0.02 0.00 0.00 46.19 44.06 1rg8 s LEU 72 CO 0.00 0.40 0.96 -0.76 0.02 0.00 0.00 176.35 176.98 1rg8 s LEU 73 N -1.00 4.09 0.15 1.79 1.43 -1.26 -1.23 118.68 122.65 1rg8 s LEU 73 Ca 0.15 1.78 -0.20 0.00 -1.03 0.00 0.00 54.13 54.83 1rg8 s LEU 73 Cb -0.12 -4.33 0.06 0.00 0.03 0.00 0.00 46.19 41.83 1rg8 s LEU 73 CO 0.04 -0.29 0.52 -0.72 0.23 0.00 0.00 176.35 176.12 1rg8 s TYR 74 N -1.93 -0.40 -0.17 0.29 1.13 -0.27 -4.62 117.35 111.39 1rg8 s TYR 74 Ca 0.58 0.14 -0.21 0.00 -1.41 0.00 0.00 57.07 56.17 1rg8 s TYR 74 Cb -0.14 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.13 1rg8 s TYR 74 CO 0.18 -0.79 0.63 0.20 -2.51 0.00 0.00 175.55 173.26 1rg8 s GLY 75 N -2.77 2.17 -0.07 5.49 0.00 0.39 -0.75 107.32 111.77 1rg8 s GLY 75 Ca 0.02 -0.20 -0.04 0.00 0.00 0.00 0.00 44.72 44.51 1rg8 s GLY 75 CO -0.13 1.24 0.09 -0.45 0.00 0.00 0.00 173.10 173.86 1rg8 s SER 76 N 1.08 5.91 0.49 1.64 0.15 0.54 -4.79 113.70 118.71 1rg8 s SER 76 Ca 0.30 0.29 0.26 0.00 0.70 0.00 0.00 55.95 57.51 1rg8 s SER 76 Cb -0.16 -1.80 1.24 0.00 -1.71 0.00 0.00 66.02 63.59 1rg8 s SER 76 CO 0.11 0.35 1.97 1.56 1.20 0.00 0.00 173.24 178.44 1rg8 h GLN 77 N 4.69 0.00 -5.32 5.44 1.08 -1.92 -0.90 115.11 118.17 1rg8 h GLN 77 Ca -0.52 0.00 -0.41 0.00 -1.45 0.00 0.00 58.65 56.28 1rg8 h GLN 77 Cb 1.20 0.00 -0.21 0.00 -0.05 0.00 0.00 27.48 28.42 1rg8 h GLN 77 CO 0.59 0.16 -0.77 0.95 -0.95 0.00 0.00 178.83 178.81 1rg8 s THR 78 N -3.94 1.12 -1.27 -0.54 -4.23 -1.26 -4.82 115.64 100.69 1rg8 s THR 78 Ca -0.01 -1.36 -0.13 0.00 -1.18 0.00 0.00 61.69 59.00 1rg8 s THR 78 Cb 0.12 -1.13 0.14 0.00 1.34 0.00 0.00 72.50 72.97 1rg8 s THR 78 CO 0.60 -0.26 1.69 -0.81 -0.54 0.00 0.00 174.62 175.30 1rg8 n PRO 79 N 1.17 3.35 -1.05 3.99 -0.04 -1.26 -4.77 135.00 136.39 1rg8 n PRO 79 Ca -0.20 -3.53 0.00 0.00 -0.04 0.00 0.00 63.50 59.72 1rg8 n PRO 79 Cb 0.55 -3.12 0.00 0.00 -0.04 0.00 0.00 33.50 30.88 1rg8 n PRO 79 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1rg8 n ASN 80 N 5.76 0.34 0.27 3.54 0.23 -1.26 -4.91 115.26 119.23 1rg8 n ASN 80 Ca 0.41 -0.90 0.13 0.00 -0.53 0.00 0.00 54.58 53.70 1rg8 n ASN 80 Cb 0.41 0.00 0.82 0.00 -2.08 0.00 0.00 39.78 38.93 1rg8 n ASN 80 CO 0.00 0.00 0.00 1.05 -0.93 0.00 0.00 177.26 177.38 1rg8 h GLU 81 N 0.00 0.00 0.00 -3.83 4.11 -1.99 -0.15 114.58 112.72 1rg8 h GLU 81 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 1rg8 h GLU 81 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1rg8 h GLU 81 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 179.01 179.47 1rg8 n GLU 82 N -4.07 0.41 0.00 1.06 1.02 -1.26 -3.67 120.64 114.13 1rg8 n GLU 82 Ca -0.02 0.03 0.07 0.00 -0.02 0.00 0.00 57.16 57.22 1rg8 n GLU 82 Cb 0.12 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.07 1rg8 n GLU 82 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1rg8 s LEU 84 N -1.53 4.31 0.05 0.00 1.43 -1.24 -4.41 118.68 117.29 1rg8 s LEU 84 Ca 0.15 1.10 0.08 0.00 -1.03 0.00 0.00 54.13 54.43 1rg8 s LEU 84 Cb 0.12 -2.99 -0.03 0.00 0.03 0.00 0.00 46.19 43.33 1rg8 s LEU 84 CO 0.26 -0.08 -0.21 -0.36 0.23 0.00 0.00 176.35 176.19 1rg8 s PHE 85 N 0.69 1.87 -0.47 0.29 0.40 -0.28 -1.35 117.98 119.13 1rg8 s PHE 85 Ca 0.35 -0.38 -0.23 0.00 -0.60 0.00 0.00 56.93 56.06 1rg8 s PHE 85 Cb -0.17 -1.11 0.03 0.00 0.51 0.00 0.00 43.02 42.28 1rg8 s PHE 85 CO 0.16 0.10 0.80 -0.51 0.70 0.00 0.00 175.22 176.48 1rg8 s LEU 86 N -1.24 4.27 -0.30 -0.37 1.43 0.59 -0.57 118.68 122.49 1rg8 s LEU 86 Ca 0.08 -0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 52.77 1rg8 s LEU 86 Cb -0.09 -2.91 -0.01 0.00 0.03 0.00 0.00 46.19 43.21 1rg8 s LEU 86 CO 0.02 -0.97 0.69 -0.70 0.23 0.00 0.00 176.35 175.62 1rg8 s GLU 87 N 3.37 3.95 0.08 1.70 2.12 -0.34 -1.63 118.70 127.96 1rg8 s GLU 87 Ca 0.29 0.44 0.05 0.00 0.36 0.00 0.00 54.97 56.11 1rg8 s GLU 87 Cb -0.13 -3.72 -0.03 0.00 0.26 0.00 0.00 34.13 30.52 1rg8 s GLU 87 CO 0.22 -0.59 -0.12 1.03 -0.54 0.00 0.00 175.26 175.25 1rg8 s ARG 88 N 2.72 0.83 0.44 4.30 1.81 -0.40 -4.69 118.95 123.96 1rg8 s ARG 88 Ca 0.28 -1.04 -0.24 0.00 -1.72 0.00 0.00 55.73 53.01 1rg8 s ARG 88 Cb -0.15 -0.70 -0.08 0.00 -0.45 0.00 0.00 34.95 33.57 1rg8 s ARG 88 CO 0.11 0.14 1.15 -1.17 -0.68 0.00 0.00 175.30 174.85 1rg8 s LEU 89 N -2.04 4.07 -0.03 2.53 2.96 -0.15 -0.63 118.68 125.38 1rg8 s LEU 89 Ca 0.01 2.27 -0.03 0.00 -0.22 0.00 0.00 54.13 56.16 1rg8 s LEU 89 Cb -0.07 -4.19 0.01 0.00 0.50 0.00 0.00 46.19 42.44 1rg8 s LEU 89 CO 0.02 -0.79 0.09 -0.70 -1.32 0.00 0.00 176.35 173.64 1rg8 s GLU 90 N -2.58 0.10 -1.34 1.98 2.56 0.21 -4.80 118.70 114.83 1rg8 s GLU 90 Ca 0.61 0.12 -0.04 0.00 0.00 0.00 0.00 54.97 55.66 1rg8 s GLU 90 Cb -0.28 0.05 0.03 0.00 2.00 0.00 0.00 34.13 35.93 1rg8 s GLU 90 CO 0.34 -0.01 0.32 0.39 -0.56 0.00 0.00 175.26 175.74 1rg8 n GLU 91 N 3.04 -3.27 -2.17 4.30 1.02 -1.26 -1.18 120.64 121.13 1rg8 n GLU 91 Ca -0.12 0.68 -0.19 0.00 -0.02 0.00 0.00 57.16 57.51 1rg8 n GLU 91 Cb 0.59 -5.39 -0.03 0.00 -0.02 0.00 0.00 31.44 26.59 1rg8 n GLU 91 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1rg8 n ASN 92 N -2.18 -5.26 0.07 1.62 4.13 -1.26 -4.64 115.26 107.74 1rg8 n ASN 92 Ca -0.10 0.16 0.00 0.00 1.68 0.00 0.00 54.58 56.31 1rg8 n ASN 92 Cb 0.60 -4.48 0.00 0.00 -1.54 0.00 0.00 39.78 34.36 1rg8 n ASN 92 CO 0.00 0.00 0.00 1.57 0.28 0.00 0.00 177.26 179.11 1rg8 n HIS 93 N -3.40 -3.07 -2.11 3.10 -0.00 -0.33 -5.16 115.22 104.26 1rg8 n HIS 93 Ca -0.21 0.49 -0.27 0.00 -0.00 0.00 0.00 57.72 57.73 1rg8 n HIS 93 Cb 0.65 1.56 0.09 0.00 -0.00 0.00 0.00 29.99 32.29 1rg8 n HIS 93 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1rg8 s TYR 94 N -2.00 2.75 -0.10 1.57 2.02 -0.33 -4.82 117.35 116.44 1rg8 s TYR 94 Ca 0.00 0.48 -0.03 0.00 -0.37 0.00 0.00 57.07 57.15 1rg8 s TYR 94 Cb 0.00 -3.35 -0.03 0.00 -0.40 0.00 0.00 41.96 38.17 1rg8 s TYR 94 CO 0.00 -1.63 0.02 -0.80 -1.57 0.00 0.00 175.55 171.56 1rg8 s ASN 95 N -4.58 5.35 0.22 2.29 -0.87 0.59 -0.62 114.94 117.32 1rg8 s ASN 95 Ca 0.62 0.15 0.10 0.00 -1.57 0.00 0.00 52.86 52.16 1rg8 s ASN 95 Cb -0.10 -1.61 -0.04 0.00 -0.02 0.00 0.00 41.25 39.48 1rg8 s ASN 95 CO 0.47 0.34 -0.13 0.42 -2.57 0.00 0.00 177.10 175.63 1rg8 s THR 96 N -0.67 2.94 -0.21 1.60 -4.23 0.19 -1.00 115.64 114.27 1rg8 s THR 96 Ca 0.11 -1.93 -0.02 0.00 -1.18 0.00 0.00 61.69 58.67 1rg8 s THR 96 Cb -0.12 -2.49 0.06 0.00 1.34 0.00 0.00 72.50 71.29 1rg8 s THR 96 CO 0.02 -0.22 0.01 -0.31 -0.54 0.00 0.00 174.62 173.58 1rg8 s TYR 97 N -1.98 1.49 -0.16 3.99 2.02 -1.26 -1.28 117.35 120.18 1rg8 s TYR 97 Ca 0.26 -1.17 -0.08 0.00 -0.37 0.00 0.00 57.07 55.72 1rg8 s TYR 97 Cb -0.07 -1.22 -0.04 0.00 -0.40 0.00 0.00 41.96 40.23 1rg8 s TYR 97 CO 0.15 -0.67 0.12 0.42 -1.57 0.00 0.00 175.55 174.00 1rg8 s ILE 98 N 1.70 5.28 0.04 2.71 1.01 -0.64 -1.13 121.20 130.17 1rg8 s ILE 98 Ca -0.03 0.13 -0.33 0.00 0.00 0.00 0.00 60.65 60.43 1rg8 s ILE 98 Cb -0.18 -3.35 -0.12 0.00 0.01 0.00 0.00 42.46 38.82 1rg8 s ILE 98 CO -0.07 0.53 1.78 -0.24 0.00 0.00 0.00 174.94 176.93 1rg8 n SER 99 N 2.79 3.46 -0.11 3.58 2.88 -0.34 -0.30 113.62 125.58 1rg8 n SER 99 Ca -0.18 1.01 -0.11 0.00 -1.33 0.00 0.00 58.87 58.26 1rg8 n SER 99 Cb 0.53 -1.42 -0.03 0.00 -0.75 0.00 0.00 64.21 62.54 1rg8 n SER 99 CO 0.00 0.00 0.00 0.50 -1.23 0.00 0.00 175.04 174.31 1rg8 h LYS 100 N 8.06 0.55 -0.79 -1.46 3.64 -1.54 -0.56 116.57 124.47 1rg8 h LYS 100 Ca -0.47 -0.18 0.04 0.00 -1.27 0.00 0.00 60.65 58.77 1rg8 h LYS 100 Cb 1.26 -0.05 -0.05 0.00 -0.41 0.00 0.00 32.23 32.98 1rg8 h LYS 100 CO 0.93 0.70 0.52 -0.22 -2.27 0.00 0.00 179.45 179.10 1rg8 h LYS 101 N 0.35 0.93 -0.50 1.90 3.64 -1.77 -2.32 116.57 118.79 1rg8 h LYS 101 Ca 0.09 -0.06 -0.25 0.00 -1.27 0.00 0.00 60.65 59.17 1rg8 h LYS 101 Cb 0.45 -0.21 -0.15 0.00 -0.41 0.00 0.00 32.23 31.91 1rg8 h LYS 101 CO 0.02 0.62 0.09 0.72 -2.27 0.00 0.00 179.45 178.62 1rg8 n HIS 102 N -4.45 1.55 0.02 1.91 8.25 -1.13 -4.74 115.22 116.62 1rg8 n HIS 102 Ca 0.10 -1.61 0.06 0.00 -0.26 0.00 0.00 57.72 56.01 1rg8 n HIS 102 Cb 0.13 -0.59 0.46 0.00 1.12 0.00 0.00 29.99 31.11 1rg8 n HIS 102 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rg8 h ALA 103 N 1.10 1.79 0.00 -1.41 0.00 -0.51 -0.02 119.26 120.21 1rg8 h ALA 103 Ca 0.30 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1rg8 h ALA 103 Cb 1.93 -0.13 0.00 0.00 0.00 0.00 0.00 17.79 19.59 1rg8 h ALA 103 CO 0.55 0.17 0.00 1.05 0.00 0.00 0.00 179.25 181.02 1rg8 h GLU 104 N 0.47 0.00 -0.00 0.00 9.09 -1.85 -2.30 114.58 119.99 1rg8 h GLU 104 Ca 0.15 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.56 1rg8 h GLU 104 Cb 0.04 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.14 1rg8 h GLU 104 CO -0.04 0.00 -0.44 1.63 0.05 0.00 0.00 179.01 180.22 1rg8 n LYS 105 N -2.59 0.03 -3.51 1.06 5.02 -0.03 -4.97 118.16 113.18 1rg8 n LYS 105 Ca 0.02 -0.02 -0.20 0.00 -2.02 0.00 0.00 58.31 56.09 1rg8 n LYS 105 Cb 0.28 -1.50 0.08 0.00 -0.02 0.00 0.00 35.03 33.87 1rg8 n LYS 105 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 1rg8 n ASN 106 N -1.47 -3.45 -4.61 4.39 4.13 -0.87 -4.97 115.26 108.42 1rg8 n ASN 106 Ca 0.06 -0.61 -0.39 0.00 1.68 0.00 0.00 54.58 55.32 1rg8 n ASN 106 Cb 0.34 -5.03 -0.08 0.00 -1.54 0.00 0.00 39.78 33.47 1rg8 n ASN 106 CO 0.00 0.00 0.00 0.26 0.28 0.00 0.00 177.26 177.80 1rg8 s TRP 107 N -3.36 3.26 0.16 3.10 0.52 -1.25 -4.50 118.94 116.87 1rg8 s TRP 107 Ca 0.20 0.53 0.07 0.00 0.02 0.00 0.00 56.10 56.91 1rg8 s TRP 107 Cb -0.09 -2.64 -0.04 0.00 -1.15 0.00 0.00 33.47 29.55 1rg8 s TRP 107 CO 0.74 -0.25 0.02 -0.06 0.02 0.00 0.00 176.95 177.41 1rg8 s PHE 108 N 2.17 2.90 0.18 -1.98 0.40 -1.26 -1.20 117.98 119.20 1rg8 s PHE 108 Ca 0.18 -0.11 -0.31 0.00 -0.60 0.00 0.00 56.93 56.10 1rg8 s PHE 108 Cb -0.16 -1.41 -0.09 0.00 0.51 0.00 0.00 43.02 41.87 1rg8 s PHE 108 CO 0.09 0.51 1.40 0.08 0.70 0.00 0.00 175.22 178.01 1rg8 s VAL 109 N -1.69 3.01 0.18 -0.44 1.01 -0.28 -4.53 120.40 117.65 1rg8 s VAL 109 Ca 0.28 0.79 -0.21 0.00 0.00 0.00 0.00 61.98 62.83 1rg8 s VAL 109 Cb -0.10 -3.50 0.05 0.00 0.00 0.00 0.00 36.38 32.83 1rg8 s VAL 109 CO 0.19 0.09 0.57 -0.83 0.00 0.00 0.00 175.10 175.13 1rg8 s GLY 110 N 0.68 -0.42 -0.02 4.51 0.00 -1.26 -4.45 107.32 106.37 1rg8 s GLY 110 Ca 0.62 0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.58 1rg8 s GLY 110 CO 0.36 -0.01 -0.16 1.08 0.00 0.00 0.00 173.10 174.37 1rg8 s LEU 111 N -2.80 1.98 0.81 0.66 1.43 -0.35 -1.26 118.68 119.16 1rg8 s LEU 111 Ca 0.04 -0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 52.71 1rg8 s LEU 111 Cb -0.01 -0.87 0.08 0.00 0.03 0.00 0.00 46.19 45.42 1rg8 s LEU 111 CO -0.09 0.18 1.13 -0.54 0.23 0.00 0.00 176.35 177.26 1rg8 s LYS 112 N -0.24 2.02 0.46 1.70 1.02 0.78 -4.44 119.74 121.04 1rg8 s LYS 112 Ca 0.03 0.39 0.17 0.00 0.02 0.00 0.00 55.97 56.58 1rg8 s LYS 112 Cb -0.08 -1.93 1.08 0.00 -0.52 0.00 0.00 37.83 36.38 1rg8 s LYS 112 CO 0.00 -1.61 2.00 0.87 -0.92 0.00 0.00 175.35 175.69 1rg8 h LYS 113 N -1.08 0.00 -0.05 1.68 1.57 -1.86 -0.90 116.57 115.93 1rg8 h LYS 113 Ca -0.47 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.31 1rg8 h LYS 113 Cb 1.29 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.60 1rg8 h LYS 113 CO 0.63 0.18 0.00 0.27 -0.57 0.00 0.00 179.45 179.95 1rg8 n ASN 114 N -4.19 0.70 0.00 0.86 0.23 -1.26 -4.66 115.26 106.94 1rg8 n ASN 114 Ca -0.02 -1.43 0.00 0.00 -0.53 0.00 0.00 54.58 52.60 1rg8 n ASN 114 Cb 0.25 -0.03 0.00 0.00 -2.08 0.00 0.00 39.78 37.92 1rg8 n ASN 114 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1rg8 n GLY 115 N 0.99 0.91 3.85 4.83 0.00 -0.34 -5.01 105.19 110.41 1rg8 n GLY 115 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1rg8 n GLY 115 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1rg8 s SER 116 N -2.49 6.22 0.37 1.61 0.01 -1.26 -0.52 113.70 117.64 1rg8 s SER 116 Ca 0.00 1.52 -0.19 0.00 1.31 0.00 0.00 55.95 58.59 1rg8 s SER 116 Cb 0.00 -2.49 -0.10 0.00 0.21 0.00 0.00 66.02 63.64 1rg8 s SER 116 CO 0.00 -0.87 0.85 0.00 0.41 0.00 0.00 173.24 173.63 1rg8 s LYS 118 N -2.98 3.96 0.11 0.00 -0.14 -0.39 -4.76 119.74 115.55 1rg8 s LYS 118 Ca 0.57 1.61 -0.25 0.00 -1.36 0.00 0.00 55.97 56.54 1rg8 s LYS 118 Cb -0.10 -2.45 -0.07 0.00 -1.68 0.00 0.00 37.83 33.53 1rg8 s LYS 118 CO 0.16 -0.34 0.78 1.03 -0.76 0.00 0.00 175.35 176.21 1rg8 s ARG 119 N -2.64 4.54 0.21 1.68 0.52 -1.26 -4.66 118.95 117.33 1rg8 s ARG 119 Ca 0.61 1.13 -0.20 0.00 -0.52 0.00 0.00 55.73 56.74 1rg8 s ARG 119 Cb -0.24 -3.31 0.16 0.00 0.52 0.00 0.00 34.95 32.08 1rg8 s ARG 119 CO 0.30 0.44 1.56 0.78 0.02 0.00 0.00 175.30 178.40 1rg8 h GLY 120 N 4.94 -0.09 2.00 -3.53 0.00 -0.75 0.20 103.07 105.83 1rg8 h GLY 120 Ca -0.46 0.51 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1rg8 h GLY 120 CO 0.68 -0.19 0.00 -1.55 0.00 0.00 0.00 176.54 175.48 1rg8 n PRO 121 N -5.44 0.13 -0.33 4.80 -0.04 -1.26 -1.07 135.00 131.79 1rg8 n PRO 121 Ca 0.07 0.58 0.12 0.00 -0.04 0.00 0.00 63.50 64.22 1rg8 n PRO 121 Cb 0.37 -1.88 0.30 0.00 -0.04 0.00 0.00 33.50 32.25 1rg8 n PRO 121 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 1rg8 n ARG 122 N -2.15 2.67 -4.00 0.54 1.74 0.67 -4.94 116.66 111.19 1rg8 n ARG 122 Ca -0.01 -2.57 -0.23 0.00 -0.77 0.00 0.00 57.85 54.27 1rg8 n ARG 122 Cb 0.07 -1.56 -0.03 0.00 -1.02 0.00 0.00 32.46 29.91 1rg8 n ARG 122 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 1rg8 s THR 123 N -1.13 5.06 -0.03 0.55 -4.23 -0.23 -4.93 115.64 110.70 1rg8 s THR 123 Ca 0.47 -0.97 -0.29 0.00 -1.18 0.00 0.00 61.69 59.72 1rg8 s THR 123 Cb 0.25 -3.68 0.10 0.00 1.34 0.00 0.00 72.50 70.51 1rg8 s THR 123 CO 0.33 -0.23 0.88 -1.38 -0.54 0.00 0.00 174.62 173.68 1rg8 s HIS 124 N -1.90 -0.38 0.42 3.99 -3.43 -1.26 -4.87 115.29 107.86 1rg8 s HIS 124 Ca 0.34 0.35 -0.24 0.00 -0.80 0.00 0.00 55.06 54.70 1rg8 s HIS 124 Cb -0.10 0.52 -0.10 0.00 -1.43 0.00 0.00 32.58 31.47 1rg8 s HIS 124 CO 0.28 -0.53 0.99 0.66 -2.00 0.00 0.00 174.74 174.13 1rg8 n TYR 125 N -0.01 1.08 0.00 0.38 4.01 -1.26 -2.76 117.16 118.60 1rg8 n TYR 125 Ca -0.10 0.56 0.00 0.00 -0.16 0.00 0.00 57.90 58.20 1rg8 n TYR 125 Cb 0.61 -2.21 0.00 0.00 -0.31 0.00 0.00 39.34 37.43 1rg8 n TYR 125 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1rg8 n GLY 126 N 1.22 1.49 3.83 2.72 0.00 -1.26 -5.08 105.19 108.11 1rg8 n GLY 126 Ca 0.10 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 1rg8 n GLY 126 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rg8 s GLN 127 N -0.94 3.64 0.17 1.61 -0.21 -1.11 -4.98 119.66 117.84 1rg8 s GLN 127 Ca 0.00 1.03 0.09 0.00 0.02 0.00 0.00 55.36 56.50 1rg8 s GLN 127 Cb 0.00 -2.09 -0.04 0.00 1.00 0.00 0.00 33.01 31.88 1rg8 s GLN 127 CO 0.00 -0.53 1.38 0.87 -2.12 0.00 0.00 175.29 174.89 1rg8 h LYS 128 N 0.57 0.00 -0.06 2.91 1.79 -1.98 -3.35 116.57 116.46 1rg8 h LYS 128 Ca -0.46 0.00 0.02 0.00 -2.18 0.00 0.00 60.65 58.02 1rg8 h LYS 128 Cb 1.20 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 31.85 1rg8 h LYS 128 CO 0.60 0.86 0.08 0.00 -1.08 0.00 0.00 179.45 179.91 1rg8 h ALA 129 N 1.14 1.54 -0.01 3.86 0.00 -1.94 -2.34 119.26 121.51 1rg8 h ALA 129 Ca -0.01 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1rg8 h ALA 129 Cb 1.57 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1rg8 h ALA 129 CO 0.11 -0.11 -0.23 0.44 0.00 0.00 0.00 179.25 179.47 1rg8 n ILE 130 N -3.71 0.00 -3.54 0.00 -5.35 -1.26 -1.21 119.36 104.30 1rg8 n ILE 130 Ca -0.02 -0.23 -0.38 0.00 -0.27 0.00 0.00 62.75 61.86 1rg8 n ILE 130 Cb 0.17 0.74 -0.10 0.00 -1.74 0.00 0.00 39.64 38.71 1rg8 n ILE 130 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 1rg8 s LEU 131 N -2.33 4.05 0.17 7.28 1.43 -0.88 -4.41 118.68 123.99 1rg8 s LEU 131 Ca 0.26 0.12 0.10 0.00 -1.03 0.00 0.00 54.13 53.59 1rg8 s LEU 131 Cb 0.19 -2.22 -0.04 0.00 0.03 0.00 0.00 46.19 44.15 1rg8 s LEU 131 CO 0.47 -0.06 -0.20 -0.36 0.23 0.00 0.00 176.35 176.43 1rg8 s PHE 132 N 1.68 2.42 -0.11 0.29 0.40 -0.17 -3.57 117.98 118.93 1rg8 s PHE 132 Ca 0.10 -0.31 0.02 0.00 -0.60 0.00 0.00 56.93 56.13 1rg8 s PHE 132 Cb -0.15 -1.22 0.02 0.00 0.51 0.00 0.00 43.02 42.17 1rg8 s PHE 132 CO 0.09 0.47 -0.15 -1.17 0.70 0.00 0.00 175.22 175.16 1rg8 s LEU 133 N -2.58 1.72 0.16 -0.37 2.96 0.08 -0.30 118.68 120.34 1rg8 s LEU 133 Ca 0.21 -0.44 -0.30 0.00 -0.22 0.00 0.00 54.13 53.38 1rg8 s LEU 133 Cb -0.09 -1.10 -0.08 0.00 0.50 0.00 0.00 46.19 45.42 1rg8 s LEU 133 CO 0.11 0.01 1.23 -2.16 -1.32 0.00 0.00 176.35 174.21 1rg8 s PRO 134 N 1.06 4.45 0.12 0.98 0.04 -1.26 -1.15 135.00 139.24 1rg8 s PRO 134 Ca -0.05 1.89 0.06 0.00 0.04 0.00 0.00 61.00 62.95 1rg8 s PRO 134 Cb -0.15 -3.26 -0.04 0.00 0.04 0.00 0.00 34.50 31.10 1rg8 s PRO 134 CO -0.03 -0.17 -0.15 -0.51 0.04 0.00 0.00 177.00 176.18 1rg8 s LEU 135 N 0.14 2.40 0.49 -3.56 1.43 -0.01 -4.95 118.68 114.61 1rg8 s LEU 135 Ca 0.55 -0.80 -0.23 0.00 -1.03 0.00 0.00 54.13 52.63 1rg8 s LEU 135 Cb -0.33 -0.61 -0.07 0.00 0.03 0.00 0.00 46.19 45.21 1rg8 s LEU 135 CO 0.35 -0.11 1.23 -2.84 0.23 0.00 0.00 176.35 175.21 1rg8 s PRO 136 N -2.59 3.55 0.00 1.29 0.02 -1.26 -0.55 135.00 135.46 1rg8 s PRO 136 Ca 0.09 1.94 0.12 0.00 0.02 0.00 0.00 61.00 63.17 1rg8 s PRO 136 Cb -0.06 -2.36 0.70 0.00 0.02 0.00 0.00 34.50 32.80 1rg8 s PRO 136 CO 0.04 -0.77 1.14 1.33 -0.33 0.00 0.00 177.00 178.41