#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bk8 n ALA 1 N 0.00 -0.17 -1.29 4.61 0.00 -1.26 -5.10 120.51 117.31 2bk8 n ALA 1 Ca 0.00 0.02 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 2bk8 n ALA 1 Cb 0.00 -0.06 0.11 0.00 0.00 0.00 0.00 19.45 19.50 2bk8 n ALA 1 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2bk8 s MET 2 N -0.23 1.90 -0.08 0.00 0.23 -1.26 -4.83 119.30 115.03 2bk8 s MET 2 Ca 0.00 0.97 0.03 0.00 -1.03 0.00 0.00 55.69 55.66 2bk8 s MET 2 Cb 0.00 -1.87 0.01 0.00 -1.53 0.00 0.00 34.83 31.44 2bk8 s MET 2 CO 0.00 -1.84 -0.16 0.08 -2.03 0.00 0.00 175.02 171.07 2bk8 s VAL 3 N -2.95 1.45 -0.11 5.16 1.01 -0.94 -4.83 120.40 119.19 2bk8 s VAL 3 Ca 0.62 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 2bk8 s VAL 3 Cb -0.17 -1.29 -0.03 0.00 0.00 0.00 0.00 36.38 34.88 2bk8 s VAL 3 CO 0.56 0.43 0.65 -0.94 0.00 0.00 0.00 175.10 175.79 2bk8 s SER 4 N 0.55 6.85 1.01 3.32 1.04 -1.26 -0.91 113.70 124.30 2bk8 s SER 4 Ca -0.16 1.03 -0.13 0.00 0.48 0.00 0.00 55.95 57.17 2bk8 s SER 4 Cb -0.17 -2.37 0.19 0.00 0.10 0.00 0.00 66.02 63.77 2bk8 s SER 4 CO 0.06 -0.15 1.11 -0.83 0.98 0.00 0.00 173.24 174.41 2bk8 s GLY 5 N 0.88 1.57 0.41 7.32 0.00 0.05 -4.81 107.32 112.75 2bk8 s GLY 5 Ca 0.33 -0.49 -0.25 0.00 0.00 0.00 0.00 44.72 44.32 2bk8 s GLY 5 CO 0.14 0.15 1.17 1.20 0.00 0.00 0.00 173.10 175.77 2bk8 s GLN 6 N -5.09 3.98 -0.08 2.90 -0.21 -1.26 -4.68 119.66 115.22 2bk8 s GLN 6 Ca 0.66 1.83 0.03 0.00 0.02 0.00 0.00 55.36 57.90 2bk8 s GLN 6 Cb -0.17 -2.61 -0.02 0.00 1.00 0.00 0.00 33.01 31.22 2bk8 s GLN 6 CO 0.56 -0.38 -0.18 0.42 -2.12 0.00 0.00 175.29 173.60 2bk8 s ILE 7 N -1.44 2.68 0.32 1.08 1.01 -1.26 -4.71 121.20 118.88 2bk8 s ILE 7 Ca 0.59 -0.83 -0.17 0.00 0.00 0.00 0.00 60.65 60.24 2bk8 s ILE 7 Cb -0.30 -2.05 -0.09 0.00 0.01 0.00 0.00 42.46 40.02 2bk8 s ILE 7 CO 0.38 0.56 0.77 -0.04 0.00 0.00 0.00 174.94 176.61 2bk8 s MET 8 N -0.15 4.07 0.91 2.79 -1.94 -1.26 -4.69 119.30 119.04 2bk8 s MET 8 Ca -0.02 0.76 -0.11 0.00 -1.71 0.00 0.00 55.69 54.61 2bk8 s MET 8 Cb -0.14 -2.46 0.14 0.00 2.01 0.00 0.00 34.83 34.38 2bk8 s MET 8 CO 0.04 0.16 1.09 -1.01 -0.01 0.00 0.00 175.02 175.29 2bk8 s HIS 9 N -1.95 2.22 -0.00 -0.03 0.09 -1.26 -4.74 115.29 109.62 2bk8 s HIS 9 Ca 0.54 1.29 -0.08 0.00 -0.00 0.00 0.00 55.06 56.81 2bk8 s HIS 9 Cb -0.11 -3.17 0.00 0.00 -0.00 0.00 0.00 32.58 29.31 2bk8 s HIS 9 CO 0.17 -2.50 0.15 0.00 -0.00 0.00 0.00 174.74 172.56 2bk8 s ALA 10 N -2.88 -0.37 -0.20 -1.40 0.00 -0.86 -4.98 121.76 111.06 2bk8 s ALA 10 Ca 0.64 -0.06 -0.11 0.00 0.00 0.00 0.00 51.96 52.43 2bk8 s ALA 10 Cb -0.19 0.08 -0.05 0.00 0.00 0.00 0.00 23.12 22.97 2bk8 s ALA 10 CO 0.57 -0.20 0.18 0.08 0.00 0.00 0.00 175.76 176.39 2bk8 s VAL 11 N -1.28 5.37 -0.12 0.00 1.01 -1.26 -1.22 120.40 122.90 2bk8 s VAL 11 Ca -0.14 0.29 -0.02 0.00 0.00 0.00 0.00 61.98 62.11 2bk8 s VAL 11 Cb -0.07 -3.52 -0.03 0.00 0.00 0.00 0.00 36.38 32.76 2bk8 s VAL 11 CO 0.02 0.39 -0.04 -0.83 0.00 0.00 0.00 175.10 174.64 2bk8 s GLY 12 N 0.60 1.74 -0.02 4.51 0.00 -0.38 -4.93 107.32 108.84 2bk8 s GLY 12 Ca 0.10 -0.84 -0.07 0.00 0.00 0.00 0.00 44.72 43.91 2bk8 s GLY 12 CO 0.01 -0.35 0.26 -0.54 0.00 0.00 0.00 173.10 172.48 2bk8 s GLU 13 N -0.24 3.58 0.15 2.90 2.02 -1.26 -4.38 118.70 121.47 2bk8 s GLU 13 Ca 0.04 -0.04 -0.34 0.00 0.02 0.00 0.00 54.97 54.64 2bk8 s GLU 13 Cb -0.13 -3.11 -0.15 0.00 0.10 0.00 0.00 34.13 30.85 2bk8 s GLU 13 CO 0.02 0.68 1.49 0.39 0.02 0.00 0.00 175.26 177.86 2bk8 n GLU 14 N 1.33 1.85 -0.22 1.61 1.02 -1.26 -0.63 120.64 124.34 2bk8 n GLU 14 Ca -0.13 0.66 0.00 0.00 -0.02 0.00 0.00 57.16 57.67 2bk8 n GLU 14 Cb 0.53 -2.38 0.00 0.00 -0.02 0.00 0.00 31.44 29.57 2bk8 n GLU 14 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2bk8 n GLY 15 N 3.03 2.35 0.00 0.62 0.00 0.23 -4.87 105.19 106.55 2bk8 n GLY 15 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 2bk8 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2bk8 n GLY 16 N -2.00 1.15 3.24 -0.02 0.00 0.19 -4.46 105.19 103.29 2bk8 n GLY 16 Ca 0.00 -1.90 -0.13 0.00 0.00 0.00 0.00 46.02 43.98 2bk8 n GLY 16 CO 0.00 0.00 0.00 -2.38 0.00 0.00 0.00 173.32 170.94 2bk8 s HIS 17 N 1.46 1.22 0.16 1.61 -3.43 -1.26 -1.41 115.29 113.64 2bk8 s HIS 17 Ca 0.00 -1.05 0.00 0.00 -0.80 0.00 0.00 55.06 53.21 2bk8 s HIS 17 Cb 0.00 -0.69 -0.04 0.00 -1.43 0.00 0.00 32.58 30.41 2bk8 s HIS 17 CO 0.00 -0.25 0.05 0.14 -2.00 0.00 0.00 174.74 172.68 2bk8 s VAL 18 N -3.70 0.31 0.09 -5.38 -7.23 -0.89 -4.78 120.40 98.82 2bk8 s VAL 18 Ca 0.25 -1.95 0.06 0.00 -1.81 0.00 0.00 61.98 58.53 2bk8 s VAL 18 Cb 0.06 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.79 2bk8 s VAL 18 CO 0.05 -0.37 -0.14 -1.59 -0.31 0.00 0.00 175.10 172.74 2bk8 s LYS 19 N -4.02 0.91 -0.05 4.82 -2.85 -1.26 -1.39 119.74 115.90 2bk8 s LYS 19 Ca 0.27 -1.09 0.04 0.00 -1.00 0.00 0.00 55.97 54.19 2bk8 s LYS 19 Cb 0.07 -0.87 0.00 0.00 -2.06 0.00 0.00 37.83 34.97 2bk8 s LYS 19 CO 0.05 0.18 -0.16 0.71 0.10 0.00 0.00 175.35 176.23 2bk8 s TYR 20 N -1.66 1.70 -0.12 1.78 2.02 0.13 -4.93 117.35 116.26 2bk8 s TYR 20 Ca 0.03 -0.53 0.02 0.00 -0.37 0.00 0.00 57.07 56.21 2bk8 s TYR 20 Cb -0.08 -1.16 0.02 0.00 -0.40 0.00 0.00 41.96 40.34 2bk8 s TYR 20 CO 0.03 -0.21 -0.16 0.08 -1.57 0.00 0.00 175.55 173.72 2bk8 s VAL 21 N 0.20 1.59 -0.17 0.71 1.01 -1.26 -1.44 120.40 121.03 2bk8 s VAL 21 Ca -0.07 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.23 2bk8 s VAL 21 Cb -0.13 -1.45 0.03 0.00 0.00 0.00 0.00 36.38 34.83 2bk8 s VAL 21 CO 0.03 0.46 -0.13 0.00 0.00 0.00 0.00 175.10 175.46 2bk8 s LYS 23 N 1.44 4.15 -0.18 0.00 2.20 -1.26 -1.26 119.74 124.84 2bk8 s LYS 23 Ca 0.02 0.13 -0.11 0.00 -0.36 0.00 0.00 55.97 55.66 2bk8 s LYS 23 Cb -0.14 -3.54 -0.05 0.00 -1.51 0.00 0.00 37.83 32.59 2bk8 s LYS 23 CO -0.10 -0.03 0.17 0.42 -0.36 0.00 0.00 175.35 175.45 2bk8 s ILE 24 N 1.30 5.39 0.01 5.43 1.01 0.82 -0.77 121.20 134.40 2bk8 s ILE 24 Ca 0.17 0.28 -0.15 0.00 0.00 0.00 0.00 60.65 60.95 2bk8 s ILE 24 Cb -0.15 -3.50 -0.06 0.00 0.01 0.00 0.00 42.46 38.76 2bk8 s ILE 24 CO 0.07 0.45 0.44 -1.61 0.00 0.00 0.00 174.94 174.29 2bk8 s GLU 25 N 0.19 3.97 -1.47 2.79 0.41 -0.09 -4.44 118.70 120.06 2bk8 s GLU 25 Ca 0.11 0.47 -0.07 0.00 -0.41 0.00 0.00 54.97 55.06 2bk8 s GLU 25 Cb -0.12 -3.22 0.03 0.00 -1.78 0.00 0.00 34.13 29.04 2bk8 s GLU 25 CO 0.00 0.68 0.74 0.09 -0.49 0.00 0.00 175.26 176.29 2bk8 n ASN 26 N 1.79 -5.60 -4.71 -0.19 3.02 -1.26 -2.22 115.26 106.09 2bk8 n ASN 26 Ca -0.13 -0.41 -0.34 0.00 -0.03 0.00 0.00 54.58 53.66 2bk8 n ASN 26 Cb 0.52 -4.51 0.10 0.00 -0.61 0.00 0.00 39.78 35.28 2bk8 n ASN 26 CO 0.00 0.00 0.00 -0.72 -2.62 0.00 0.00 177.26 173.92 2bk8 s TYR 27 N -3.18 1.97 0.00 3.10 -0.85 -1.26 -4.17 117.35 112.97 2bk8 s TYR 27 Ca 0.42 1.61 0.00 0.00 -0.52 0.00 0.00 57.07 58.58 2bk8 s TYR 27 Cb -0.20 -3.50 0.00 0.00 0.38 0.00 0.00 41.96 38.64 2bk8 s TYR 27 CO 0.52 -2.73 0.00 -0.40 -1.52 0.00 0.00 175.55 171.42 2bk8 n ASP 28 N -2.81 0.00 0.22 -0.18 5.68 -1.26 -5.03 116.55 113.16 2bk8 n ASP 28 Ca 0.14 -0.69 0.15 0.00 -0.50 0.00 0.00 54.79 53.89 2bk8 n ASP 28 Cb 0.50 0.00 0.71 0.00 -1.14 0.00 0.00 41.12 41.19 2bk8 n ASP 28 CO 0.00 0.00 0.00 0.06 -1.33 0.00 0.00 177.20 175.93 2bk8 h GLN 29 N 0.00 0.00 -0.01 0.11 -0.00 -2.03 -2.42 115.11 110.76 2bk8 h GLN 29 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2bk8 h GLN 29 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 27.48 2bk8 h GLN 29 CO 0.00 0.00 -0.45 -1.13 -0.00 0.00 0.00 178.83 177.25 2bk8 n SER 30 N -2.61 1.50 -4.70 0.06 3.41 -1.26 -4.97 113.62 105.06 2bk8 n SER 30 Ca -0.00 -1.18 -0.42 0.00 -0.26 0.00 0.00 58.87 57.00 2bk8 n SER 30 Cb 0.16 0.40 -0.03 0.00 -0.26 0.00 0.00 64.21 64.48 2bk8 n SER 30 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2bk8 s THR 31 N -2.56 2.79 -0.03 6.66 2.01 -0.91 -4.48 115.64 119.10 2bk8 s THR 31 Ca 0.19 0.36 0.05 0.00 0.31 0.00 0.00 61.69 62.60 2bk8 s THR 31 Cb 0.18 -3.23 -0.01 0.00 0.01 0.00 0.00 72.50 69.45 2bk8 s THR 31 CO 0.59 0.01 -0.17 -1.58 -0.69 0.00 0.00 174.62 172.77 2bk8 s GLN 32 N 2.26 1.67 -0.08 4.92 0.74 0.26 -4.98 119.66 124.45 2bk8 s GLN 32 Ca 0.75 -0.62 0.04 0.00 0.05 0.00 0.00 55.36 55.58 2bk8 s GLN 32 Cb -0.42 -1.50 -0.01 0.00 1.10 0.00 0.00 33.01 32.17 2bk8 s GLN 32 CO 0.33 0.29 -0.21 0.08 -0.55 0.00 0.00 175.29 175.23 2bk8 s VAL 33 N -0.11 2.41 -0.04 1.34 1.01 -1.26 -1.64 120.40 122.10 2bk8 s VAL 33 Ca -0.00 -0.92 0.02 0.00 0.00 0.00 0.00 61.98 61.07 2bk8 s VAL 33 Cb -0.10 -1.92 0.01 0.00 0.00 0.00 0.00 36.38 34.37 2bk8 s VAL 33 CO 0.01 0.56 -0.09 -0.89 0.00 0.00 0.00 175.10 174.70 2bk8 s THR 34 N -0.03 0.80 0.09 3.92 2.01 -0.30 -5.01 115.64 117.12 2bk8 s THR 34 Ca -0.06 -0.33 0.01 0.00 0.31 0.00 0.00 61.69 61.62 2bk8 s THR 34 Cb -0.15 -0.74 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 2bk8 s THR 34 CO 0.05 0.26 0.23 0.26 -0.69 0.00 0.00 174.62 174.73 2bk8 s TRP 35 N 0.46 3.50 0.02 4.92 0.52 -1.26 -0.57 118.94 126.53 2bk8 s TRP 35 Ca -0.08 0.19 0.03 0.00 0.02 0.00 0.00 56.10 56.27 2bk8 s TRP 35 Cb -0.12 -1.72 -0.02 0.00 -1.15 0.00 0.00 33.47 30.47 2bk8 s TRP 35 CO 0.01 0.56 -0.10 0.71 0.02 0.00 0.00 176.95 178.15 2bk8 s TYR 36 N -1.60 0.91 -0.29 -1.98 2.02 -0.37 -1.22 117.35 114.82 2bk8 s TYR 36 Ca 0.35 -0.30 -0.05 0.00 -0.37 0.00 0.00 57.07 56.69 2bk8 s TYR 36 Cb -0.12 -0.55 0.02 0.00 -0.40 0.00 0.00 41.96 40.90 2bk8 s TYR 36 CO 0.28 -0.01 0.04 0.12 -1.57 0.00 0.00 175.55 174.42 2bk8 s PHE 37 N -0.72 3.14 0.00 2.71 5.36 -0.04 -1.44 117.98 126.98 2bk8 s PHE 37 Ca -0.00 -1.17 0.00 0.00 -0.96 0.00 0.00 56.93 54.80 2bk8 s PHE 37 Cb -0.07 -2.20 0.00 0.00 -0.34 0.00 0.00 43.02 40.41 2bk8 s PHE 37 CO 0.00 -0.63 0.00 0.41 -1.46 0.00 0.00 175.22 173.55 2bk8 n GLY 38 N 4.81 3.19 0.04 13.12 0.00 -0.34 -0.93 105.19 125.08 2bk8 n GLY 38 Ca -0.15 0.15 0.14 0.00 0.00 0.00 0.00 46.02 46.16 2bk8 n GLY 38 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2bk8 n VAL 39 N 0.00 0.00 -3.38 1.61 0.24 -1.26 -4.91 118.33 110.63 2bk8 n VAL 39 Ca 0.00 -0.02 -0.38 0.00 -2.04 0.00 0.00 64.34 61.90 2bk8 n VAL 39 Cb 0.00 -0.24 -0.07 0.00 -1.47 0.00 0.00 33.84 32.06 2bk8 n VAL 39 CO 0.00 0.00 0.00 -0.13 -2.14 0.00 0.00 176.83 174.56 2bk8 s ARG 40 N -2.72 4.25 0.10 7.34 0.52 -0.11 -5.06 118.95 123.27 2bk8 s ARG 40 Ca 0.22 0.28 -0.30 0.00 -0.52 0.00 0.00 55.73 55.42 2bk8 s ARG 40 Cb 0.19 -3.48 -0.06 0.00 0.52 0.00 0.00 34.95 32.13 2bk8 s ARG 40 CO 0.52 0.08 1.02 -1.14 0.02 0.00 0.00 175.30 175.80 2bk8 s GLN 41 N 0.93 4.62 0.10 3.54 0.74 -1.26 -0.86 119.66 127.47 2bk8 s GLN 41 Ca 0.21 1.54 -0.03 0.00 0.05 0.00 0.00 55.36 57.13 2bk8 s GLN 41 Cb -0.15 -3.37 -0.05 0.00 1.10 0.00 0.00 33.01 30.55 2bk8 s GLN 41 CO 0.08 0.09 0.31 -0.51 -0.55 0.00 0.00 175.29 174.70 2bk8 s LEU 42 N 0.22 4.31 0.10 3.68 1.43 -0.36 -4.94 118.68 123.12 2bk8 s LEU 42 Ca 0.50 0.46 -0.05 0.00 -1.03 0.00 0.00 54.13 54.01 2bk8 s LEU 42 Cb -0.25 -3.14 -0.02 0.00 0.03 0.00 0.00 46.19 42.81 2bk8 s LEU 42 CO 0.30 0.11 0.11 -1.83 0.23 0.00 0.00 176.35 175.27 2bk8 s GLU 43 N -2.56 0.84 0.20 1.70 -1.05 -1.26 -4.64 118.70 111.93 2bk8 s GLU 43 Ca 0.38 -1.17 -0.33 0.00 -0.15 0.00 0.00 54.97 53.71 2bk8 s GLU 43 Cb -0.13 0.29 -0.14 0.00 -0.44 0.00 0.00 34.13 33.71 2bk8 s GLU 43 CO 0.26 -0.24 1.44 0.09 0.95 0.00 0.00 175.26 177.75 2bk8 n ASN 44 N -0.04 2.70 -1.88 0.83 3.02 -1.26 -4.56 115.26 114.07 2bk8 n ASN 44 Ca -0.12 1.12 -0.01 0.00 -0.03 0.00 0.00 54.58 55.54 2bk8 n ASN 44 Cb 0.62 -1.40 0.01 0.00 -0.61 0.00 0.00 39.78 38.40 2bk8 n ASN 44 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 2bk8 n SER 45 N 2.58 -0.68 0.30 6.41 3.41 -1.05 -4.96 113.62 119.63 2bk8 n SER 45 Ca 0.14 -1.37 0.18 0.00 -0.26 0.00 0.00 58.87 57.56 2bk8 n SER 45 Cb 0.29 1.11 0.97 0.00 -0.26 0.00 0.00 64.21 66.33 2bk8 n SER 45 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2bk8 h GLU 46 N 0.00 0.00 0.08 4.33 5.08 -2.04 -3.27 114.58 118.76 2bk8 h GLU 46 Ca -0.11 0.00 -0.37 0.00 -1.00 0.00 0.00 59.36 57.88 2bk8 h GLU 46 Cb 0.46 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.68 2bk8 h GLU 46 CO 0.14 0.03 -2.17 1.17 -1.00 0.00 0.00 179.01 177.18 2bk8 n LYS 47 N -3.43 0.72 -5.18 2.33 3.00 -1.26 -4.88 118.16 109.46 2bk8 n LYS 47 Ca -0.02 0.22 -0.30 0.00 -0.00 0.00 0.00 58.31 58.20 2bk8 n LYS 47 Cb 0.13 -1.64 -0.16 0.00 0.00 0.00 0.00 35.03 33.36 2bk8 n LYS 47 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.40 178.11 2bk8 s TYR 48 N -2.55 2.27 -0.29 5.64 2.02 -1.23 -1.58 117.35 121.63 2bk8 s TYR 48 Ca -0.26 -0.65 -0.01 0.00 -0.37 0.00 0.00 57.07 55.77 2bk8 s TYR 48 Cb 0.07 -1.49 0.05 0.00 -0.40 0.00 0.00 41.96 40.19 2bk8 s TYR 48 CO 0.71 -0.19 -0.02 -2.00 -1.57 0.00 0.00 175.55 172.48 2bk8 s GLU 49 N -0.16 2.40 -0.09 -0.62 2.12 -0.30 -2.53 118.70 119.52 2bk8 s GLU 49 Ca -0.03 -1.27 0.03 0.00 0.36 0.00 0.00 54.97 54.06 2bk8 s GLU 49 Cb -0.13 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.15 2bk8 s GLU 49 CO 0.03 -0.60 -0.19 0.42 -0.54 0.00 0.00 175.26 174.38 2bk8 s ILE 50 N 1.23 1.66 0.04 -3.70 1.01 -1.26 -0.75 121.20 119.43 2bk8 s ILE 50 Ca -0.06 -0.78 0.02 0.00 0.00 0.00 0.00 60.65 59.83 2bk8 s ILE 50 Cb -0.20 -1.46 -0.02 0.00 0.01 0.00 0.00 42.46 40.79 2bk8 s ILE 50 CO -0.02 0.47 -0.07 0.42 0.00 0.00 0.00 174.94 175.74 2bk8 s THR 51 N 0.54 0.51 -0.07 2.92 -4.23 -0.66 -4.93 115.64 109.72 2bk8 s THR 51 Ca -0.16 -1.08 -0.03 0.00 -1.18 0.00 0.00 61.69 59.25 2bk8 s THR 51 Cb -0.17 -0.59 0.04 0.00 1.34 0.00 0.00 72.50 73.12 2bk8 s THR 51 CO 0.06 -0.39 0.15 -0.47 -0.54 0.00 0.00 174.62 173.42 2bk8 s TYR 52 N -1.40 -0.17 -0.22 3.99 5.04 -1.26 -1.57 117.35 121.76 2bk8 s TYR 52 Ca -0.10 0.54 -0.16 0.00 -2.44 0.00 0.00 57.07 54.90 2bk8 s TYR 52 Cb -0.10 -0.16 0.06 0.00 0.35 0.00 0.00 41.96 42.11 2bk8 s TYR 52 CO 0.00 -0.21 0.55 -1.21 -1.34 0.00 0.00 175.55 173.34 2bk8 s GLU 53 N 1.68 0.61 -1.42 4.97 2.02 -1.04 -5.00 118.70 120.51 2bk8 s GLU 53 Ca -0.04 0.87 -0.07 0.00 0.02 0.00 0.00 54.97 55.76 2bk8 s GLU 53 Cb -0.12 0.21 0.04 0.00 0.10 0.00 0.00 34.13 34.36 2bk8 s GLU 53 CO -0.06 -0.11 0.82 -3.47 0.02 0.00 0.00 175.26 172.46 2bk8 n ASP 54 N 3.42 -2.83 0.00 -0.19 2.03 -1.26 -1.47 116.55 116.25 2bk8 n ASP 54 Ca -0.17 -0.81 0.00 0.00 0.52 0.00 0.00 54.79 54.33 2bk8 n ASP 54 Cb 0.56 -3.91 0.00 0.00 -0.72 0.00 0.00 41.12 37.06 2bk8 n ASP 54 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2bk8 n GLY 55 N -1.66 0.56 3.19 0.27 0.00 -1.26 -4.99 105.19 101.29 2bk8 n GLY 55 Ca -0.14 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.54 2bk8 n GLY 55 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2bk8 s VAL 56 N -2.44 2.87 -0.17 1.61 1.01 -0.54 -0.12 120.40 122.62 2bk8 s VAL 56 Ca 0.00 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 60.72 2bk8 s VAL 56 Cb 0.00 -2.52 -0.05 0.00 0.00 0.00 0.00 36.38 33.81 2bk8 s VAL 56 CO 0.00 0.11 0.24 0.00 0.00 0.00 0.00 175.10 175.45 2bk8 s ALA 57 N 1.30 3.64 -0.08 5.51 0.00 -0.39 -2.49 121.76 129.24 2bk8 s ALA 57 Ca -0.02 -0.53 0.00 0.00 0.00 0.00 0.00 51.96 51.42 2bk8 s ALA 57 Cb -0.18 -2.31 0.02 0.00 0.00 0.00 0.00 23.12 20.66 2bk8 s ALA 57 CO -0.04 0.14 -0.07 0.42 0.00 0.00 0.00 175.76 176.22 2bk8 s ILE 58 N 0.33 0.83 -0.21 0.00 1.01 -0.61 -0.87 121.20 121.69 2bk8 s ILE 58 Ca 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 60.65 60.53 2bk8 s ILE 58 Cb -0.12 -0.85 -0.01 0.00 0.01 0.00 0.00 42.46 41.48 2bk8 s ILE 58 CO 0.02 0.32 -0.05 -0.22 0.00 0.00 0.00 174.94 175.01 2bk8 s LEU 59 N 1.37 2.89 -0.21 2.97 2.96 -0.52 -1.65 118.68 126.49 2bk8 s LEU 59 Ca -0.03 -0.37 -0.05 0.00 -0.22 0.00 0.00 54.13 53.47 2bk8 s LEU 59 Cb -0.14 -1.73 -0.02 0.00 0.50 0.00 0.00 46.19 44.81 2bk8 s LEU 59 CO -0.03 0.01 -0.02 -0.31 -1.32 0.00 0.00 176.35 174.68 2bk8 s TYR 60 N 1.31 3.00 -0.25 5.38 1.51 0.07 -0.70 117.35 127.69 2bk8 s TYR 60 Ca 0.04 -0.62 -0.09 0.00 -1.01 0.00 0.00 57.07 55.38 2bk8 s TYR 60 Cb -0.14 -2.09 -0.04 0.00 -0.11 0.00 0.00 41.96 39.57 2bk8 s TYR 60 CO -0.02 -0.35 0.13 0.08 -1.11 0.00 0.00 175.55 174.28 2bk8 s VAL 61 N 1.18 4.97 0.33 0.71 1.01 -0.49 -1.16 120.40 126.95 2bk8 s VAL 61 Ca 0.03 0.05 0.07 0.00 0.00 0.00 0.00 61.98 62.12 2bk8 s VAL 61 Cb -0.15 -3.33 -0.02 0.00 0.00 0.00 0.00 36.38 32.89 2bk8 s VAL 61 CO 0.01 0.33 0.40 -0.54 0.00 0.00 0.00 175.10 175.29 2bk8 s LYS 62 N 1.34 3.02 -1.20 2.72 3.01 -0.61 -2.10 119.74 125.91 2bk8 s LYS 62 Ca 0.06 -1.08 -0.28 0.00 -1.01 0.00 0.00 55.97 53.66 2bk8 s LYS 62 Cb -0.15 -2.71 0.02 0.00 -1.01 0.00 0.00 37.83 33.98 2bk8 s LYS 62 CO 0.06 0.11 0.70 -0.25 0.51 0.00 0.00 175.35 176.48 2bk8 n ASP 63 N -1.53 -4.34 -4.77 2.83 8.00 -0.96 -4.82 116.55 110.97 2bk8 n ASP 63 Ca -0.01 -1.19 -0.41 0.00 0.71 0.00 0.00 54.79 53.88 2bk8 n ASP 63 Cb 0.58 -2.33 -0.00 0.00 -0.02 0.00 0.00 41.12 39.35 2bk8 n ASP 63 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2bk8 n ILE 64 N -4.71 1.75 -4.42 0.53 2.08 -0.50 -4.62 119.36 109.46 2bk8 n ILE 64 Ca -0.11 -0.44 -0.21 0.00 0.56 0.00 0.00 62.75 62.55 2bk8 n ILE 64 Cb 0.58 -1.97 -0.10 0.00 -0.75 0.00 0.00 39.64 37.40 2bk8 n ILE 64 CO 0.00 0.00 0.00 0.42 0.56 0.00 0.00 176.55 177.53 2bk8 s THR 65 N -0.83 0.91 0.51 1.39 -4.23 -1.26 -0.60 115.64 111.53 2bk8 s THR 65 Ca 0.56 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.32 2bk8 s THR 65 Cb -0.48 -2.68 0.41 0.00 1.34 0.00 0.00 72.50 71.08 2bk8 s THR 65 CO 0.60 0.00 1.96 0.11 -0.54 0.00 0.00 174.62 176.75 2bk8 h LYS 66 N 2.14 0.08 -0.11 3.99 1.57 -1.96 -1.82 116.57 120.48 2bk8 h LYS 66 Ca -0.39 -0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.42 2bk8 h LYS 66 Cb 1.25 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 33.54 2bk8 h LYS 66 CO 0.65 0.06 0.13 -0.07 -0.57 0.00 0.00 179.45 179.65 2bk8 h LEU 67 N 0.09 0.00 -0.00 2.94 3.38 -2.00 -2.84 115.31 116.88 2bk8 h LEU 67 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 2bk8 h LEU 67 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 2bk8 h LEU 67 CO -0.03 0.00 -0.01 0.47 0.09 0.00 0.00 178.44 178.96 2bk8 n ASP 68 N -3.75 0.02 -4.68 -0.43 8.00 -0.68 -4.82 116.55 110.21 2bk8 n ASP 68 Ca -0.00 0.33 -0.42 0.00 0.71 0.00 0.00 54.79 55.40 2bk8 n ASP 68 Cb 0.24 -0.43 -0.03 0.00 -0.02 0.00 0.00 41.12 40.88 2bk8 n ASP 68 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2bk8 s ASP 69 N -2.90 6.73 0.00 -2.24 -1.08 -1.07 -4.78 116.67 111.33 2bk8 s ASP 69 Ca 0.17 2.21 0.00 0.00 -0.52 0.00 0.00 52.55 54.41 2bk8 s ASP 69 Cb 0.19 -2.55 0.00 0.00 -1.46 0.00 0.00 42.92 39.10 2bk8 s ASP 69 CO 0.52 -0.84 0.00 0.61 0.52 0.00 0.00 175.17 175.98 2bk8 n GLY 70 N 3.90 -0.53 3.50 2.66 0.00 -0.86 -5.00 105.19 108.87 2bk8 n GLY 70 Ca 0.15 -0.68 -0.34 0.00 0.00 0.00 0.00 46.02 45.16 2bk8 n GLY 70 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2bk8 s THR 71 N -4.00 3.79 -0.09 2.61 2.01 -1.26 -1.07 115.64 117.63 2bk8 s THR 71 Ca 0.00 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.61 2bk8 s THR 71 Cb 0.00 -2.64 -0.02 0.00 0.01 0.00 0.00 72.50 69.85 2bk8 s THR 71 CO 0.00 0.51 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.01 2bk8 s TYR 72 N 0.18 2.78 -0.06 4.92 2.02 0.34 -1.20 117.35 126.32 2bk8 s TYR 72 Ca -0.03 -0.32 0.06 0.00 -0.37 0.00 0.00 57.07 56.41 2bk8 s TYR 72 Cb -0.14 -1.73 -0.01 0.00 -0.40 0.00 0.00 41.96 39.68 2bk8 s TYR 72 CO 0.03 0.05 -0.24 0.50 -1.57 0.00 0.00 175.55 174.31 2bk8 s ARG 73 N -0.30 2.60 -0.33 -0.62 3.52 -0.52 -1.41 118.95 121.88 2bk8 s ARG 73 Ca 0.03 -0.89 -0.09 0.00 -0.13 0.00 0.00 55.73 54.65 2bk8 s ARG 73 Cb -0.13 -2.15 0.01 0.00 -1.56 0.00 0.00 34.95 31.12 2bk8 s ARG 73 CO 0.03 0.34 0.16 0.00 -0.81 0.00 0.00 175.30 175.01 2bk8 s LYS 75 N 1.56 3.95 -0.14 0.00 2.20 0.26 -1.79 119.74 125.78 2bk8 s LYS 75 Ca 0.03 -0.34 0.01 0.00 -0.36 0.00 0.00 55.97 55.31 2bk8 s LYS 75 Cb -0.18 -3.43 -0.00 0.00 -1.51 0.00 0.00 37.83 32.70 2bk8 s LYS 75 CO 0.06 0.03 -0.17 0.08 -0.36 0.00 0.00 175.35 174.99 2bk8 s VAL 76 N 1.09 2.58 -0.04 4.02 1.01 0.20 -1.15 120.40 128.12 2bk8 s VAL 76 Ca 0.06 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.24 2bk8 s VAL 76 Cb -0.14 -2.06 0.01 0.00 0.00 0.00 0.00 36.38 34.19 2bk8 s VAL 76 CO 0.04 0.53 -0.07 -0.69 0.00 0.00 0.00 175.10 174.92 2bk8 s VAL 77 N 0.59 0.67 0.00 2.92 1.01 -0.65 -1.62 120.40 123.32 2bk8 s VAL 77 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 61.98 61.64 2bk8 s VAL 77 Cb -0.16 -0.64 0.00 0.00 0.00 0.00 0.00 36.38 35.58 2bk8 s VAL 77 CO 0.03 0.24 0.00 -0.46 0.00 0.00 0.00 175.10 174.91 2bk8 n ASN 78 N 3.73 0.75 0.00 3.32 6.94 -0.60 -0.58 115.26 128.82 2bk8 n ASN 78 Ca -0.23 -0.44 0.09 0.00 -0.02 0.00 0.00 54.58 53.98 2bk8 n ASN 78 Cb 0.52 0.00 0.44 0.00 -2.36 0.00 0.00 39.78 38.38 2bk8 n ASN 78 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 2bk8 n ASP 79 N -0.99 0.00 -0.02 0.53 8.00 -1.26 -3.42 116.55 119.39 2bk8 n ASP 79 Ca 0.00 0.06 -0.02 0.00 0.71 0.00 0.00 54.79 55.54 2bk8 n ASP 79 Cb 0.00 -0.30 -0.04 0.00 -0.02 0.00 0.00 41.12 40.77 2bk8 n ASP 79 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 2bk8 n TYR 80 N -1.30 0.00 -0.01 1.24 4.01 -1.26 -5.13 117.16 114.71 2bk8 n TYR 80 Ca 0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.82 2bk8 n TYR 80 Cb 0.14 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 38.95 2bk8 n TYR 80 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2bk8 n GLY 81 N 2.69 -0.72 3.39 2.72 0.00 -1.22 -5.07 105.19 106.98 2bk8 n GLY 81 Ca -0.07 -0.42 -0.10 0.00 0.00 0.00 0.00 46.02 45.43 2bk8 n GLY 81 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2bk8 s GLU 82 N -0.62 1.19 0.10 1.61 -1.05 -1.26 -1.56 118.70 117.10 2bk8 s GLU 82 Ca 0.00 -0.94 -0.17 0.00 -0.15 0.00 0.00 54.97 53.71 2bk8 s GLU 82 Cb 0.00 0.45 0.04 0.00 -0.44 0.00 0.00 34.13 34.17 2bk8 s GLU 82 CO 0.00 -0.47 0.41 0.34 0.95 0.00 0.00 175.26 176.49 2bk8 s ASP 83 N -2.89 -0.25 0.04 0.83 2.15 -0.64 -4.97 116.67 110.95 2bk8 s ASP 83 Ca 0.10 -0.20 -0.00 0.00 0.43 0.00 0.00 52.55 52.88 2bk8 s ASP 83 Cb 0.01 0.46 -0.03 0.00 -0.30 0.00 0.00 42.92 43.06 2bk8 s ASP 83 CO -0.05 -0.78 -0.04 -0.44 -0.17 0.00 0.00 175.17 173.69 2bk8 s SER 84 N -2.51 0.51 0.05 -0.34 0.01 -1.26 -0.63 113.70 109.53 2bk8 s SER 84 Ca -0.00 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.49 2bk8 s SER 84 Cb 0.01 0.14 -0.03 0.00 0.21 0.00 0.00 66.02 66.36 2bk8 s SER 84 CO -0.08 -0.45 -0.08 -0.44 0.41 0.00 0.00 173.24 172.59 2bk8 s SER 85 N -2.33 0.92 0.07 2.44 0.01 -0.74 -4.90 113.70 109.18 2bk8 s SER 85 Ca -0.02 -0.58 0.05 0.00 1.31 0.00 0.00 55.95 56.71 2bk8 s SER 85 Cb 0.00 0.03 -0.03 0.00 0.21 0.00 0.00 66.02 66.24 2bk8 s SER 85 CO -0.06 -0.21 -0.14 -0.31 0.41 0.00 0.00 173.24 172.94 2bk8 s TYR 86 N -1.52 1.19 0.19 2.43 2.02 -1.26 -0.94 117.35 119.45 2bk8 s TYR 86 Ca -0.08 -0.48 -0.19 0.00 -0.37 0.00 0.00 57.07 55.94 2bk8 s TYR 86 Cb -0.09 -0.66 0.04 0.00 -0.40 0.00 0.00 41.96 40.84 2bk8 s TYR 86 CO 0.00 0.05 0.56 0.00 -1.57 0.00 0.00 175.55 174.59 2bk8 s ALA 87 N -1.41 -1.15 0.15 3.71 0.00 -0.50 -4.53 121.76 118.03 2bk8 s ALA 87 Ca -0.01 -0.02 0.04 0.00 0.00 0.00 0.00 51.96 51.96 2bk8 s ALA 87 Cb -0.09 0.85 -0.04 0.00 0.00 0.00 0.00 23.12 23.84 2bk8 s ALA 87 CO 0.02 -0.81 0.21 -1.21 0.00 0.00 0.00 175.76 173.98 2bk8 s GLU 88 N -3.84 3.19 -0.17 0.00 0.41 -1.26 -0.51 118.70 116.53 2bk8 s GLU 88 Ca 0.07 -0.72 0.01 0.00 -0.41 0.00 0.00 54.97 53.92 2bk8 s GLU 88 Cb -0.01 -2.82 0.02 0.00 -1.78 0.00 0.00 34.13 29.54 2bk8 s GLU 88 CO -0.05 0.51 -0.19 -1.17 -0.49 0.00 0.00 175.26 173.86 2bk8 s LEU 89 N -3.16 2.06 -0.21 1.80 0.20 -0.23 -2.04 118.68 117.09 2bk8 s LEU 89 Ca 0.33 -0.61 -0.07 0.00 0.69 0.00 0.00 54.13 54.46 2bk8 s LEU 89 Cb -0.11 -1.42 -0.03 0.00 -0.43 0.00 0.00 46.19 44.20 2bk8 s LEU 89 CO 0.26 0.01 0.06 -0.36 -0.29 0.00 0.00 176.35 176.03 2bk8 s PHE 90 N 1.22 3.15 -0.12 5.38 0.08 -0.36 -2.02 117.98 125.32 2bk8 s PHE 90 Ca 0.02 -0.17 -0.01 0.00 0.12 0.00 0.00 56.93 56.90 2bk8 s PHE 90 Cb -0.13 -2.14 -0.02 0.00 -0.57 0.00 0.00 43.02 40.15 2bk8 s PHE 90 CO -0.10 -0.09 -0.08 0.08 -0.10 0.00 0.00 175.22 174.93 2bk8 s VAL 91 N 0.94 3.58 0.17 -0.44 1.01 -1.26 -1.25 120.40 123.15 2bk8 s VAL 91 Ca 0.04 -0.49 -0.33 0.00 0.00 0.00 0.00 61.98 61.19 2bk8 s VAL 91 Cb -0.14 -2.51 -0.14 0.00 0.00 0.00 0.00 36.38 33.60 2bk8 s VAL 91 CO 0.03 0.54 1.58 1.17 0.00 0.00 0.00 175.10 178.42 2bk8 n LYS 92 N 3.04 2.21 0.00 2.72 4.81 -1.26 -2.72 118.16 126.97 2bk8 n LYS 92 Ca -0.18 0.80 0.00 0.00 -0.87 0.00 0.00 58.31 58.06 2bk8 n LYS 92 Cb 0.53 -2.57 0.00 0.00 0.02 0.00 0.00 35.03 33.01 2bk8 n LYS 92 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2bk8 n GLY 93 N 3.38 0.09 0.00 3.14 0.00 -1.26 -4.98 105.19 105.56 2bk8 n GLY 93 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2bk8 n GLY 93 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2bk8 n VAL 94 N -1.98 0.00 -2.92 1.61 0.31 -1.10 -5.00 118.33 109.25 2bk8 n VAL 94 Ca 0.00 0.50 -0.32 0.00 -0.01 0.00 0.00 64.34 64.51 2bk8 n VAL 94 Cb 0.00 -1.49 -0.05 0.00 -0.91 0.00 0.00 33.84 31.39 2bk8 n VAL 94 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2bk8 s ARG 95 N -0.99 3.95 0.00 5.55 0.52 -1.26 -5.15 118.95 121.57 2bk8 s ARG 95 Ca 0.00 0.69 0.10 0.00 -0.52 0.00 0.00 55.73 56.00 2bk8 s ARG 95 Cb 0.00 -2.35 0.57 0.00 0.52 0.00 0.00 34.95 33.69 2bk8 s ARG 95 CO 0.00 0.02 1.02 -1.91 0.02 0.00 0.00 175.30 174.45