#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2bh8 s MET 19 N 0.00 3.07 0.06 1.97 1.75 0.11 -4.94 119.30 121.32 2bh8 s MET 19 Ca 0.00 -0.79 0.08 0.00 -1.25 0.00 0.00 55.69 53.72 2bh8 s MET 19 Cb 0.00 -2.70 -0.03 0.00 2.84 0.00 0.00 34.83 34.93 2bh8 s MET 19 CO 0.00 -0.22 -0.20 0.95 -0.65 0.00 0.00 175.02 174.90 2bh8 s THR 20 N 1.33 2.69 0.00 10.11 -4.23 -1.26 -0.73 115.64 123.55 2bh8 s THR 20 Ca 0.05 -1.31 0.00 0.00 -1.18 0.00 0.00 61.69 59.25 2bh8 s THR 20 Cb -0.14 -2.15 0.00 0.00 1.34 0.00 0.00 72.50 71.56 2bh8 s THR 20 CO -0.10 0.28 0.00 0.61 -0.54 0.00 0.00 174.62 174.87 2bh8 n GLY 21 N 1.39 1.27 3.02 3.99 0.00 -0.24 -0.61 105.19 114.01 2bh8 n GLY 21 Ca -0.16 -0.81 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 2bh8 n GLY 21 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2bh8 s ILE 22 N -2.42 0.90 0.05 -0.61 -1.09 -0.56 -1.89 121.20 115.57 2bh8 s ILE 22 Ca 0.00 -0.41 -0.31 0.00 -2.23 0.00 0.00 60.65 57.70 2bh8 s ILE 22 Cb 0.00 -0.80 -0.07 0.00 -1.58 0.00 0.00 42.46 40.00 2bh8 s ILE 22 CO 0.00 0.28 1.58 -0.69 -1.23 0.00 0.00 174.94 174.88 2bh8 s VAL 23 N 0.25 3.23 -0.21 2.92 1.01 -0.07 -0.93 120.40 126.61 2bh8 s VAL 23 Ca -0.05 0.66 -0.13 0.00 0.00 0.00 0.00 61.98 62.47 2bh8 s VAL 23 Cb -0.10 -3.43 -0.19 0.00 0.00 0.00 0.00 36.38 32.66 2bh8 s VAL 23 CO 0.01 -0.00 0.07 0.29 0.00 0.00 0.00 175.10 175.47 2bh8 n LYS 24 N 5.52 0.63 -3.65 2.72 4.76 -0.19 -1.17 118.16 126.78 2bh8 n LYS 24 Ca 0.15 0.37 -0.10 0.00 -2.87 0.00 0.00 58.31 55.85 2bh8 n LYS 24 Cb 0.41 -1.65 -0.04 0.00 -1.84 0.00 0.00 35.03 31.92 2bh8 n LYS 24 CO 0.00 0.00 0.00 1.67 -1.37 0.00 0.00 177.40 177.70 2bh8 s TRP 25 N -2.47 -0.21 -0.09 2.13 1.48 -1.07 -4.49 118.94 114.21 2bh8 s TRP 25 Ca -0.30 -0.10 -0.30 0.00 -1.06 0.00 0.00 56.10 54.34 2bh8 s TRP 25 Cb 0.08 0.38 0.07 0.00 -1.16 0.00 0.00 33.47 32.85 2bh8 s TRP 25 CO 0.62 -0.85 0.70 0.12 -4.06 0.00 0.00 176.95 173.49 2bh8 s PHE 26 N -3.83 -0.66 -0.44 1.66 5.36 -1.26 -0.72 117.98 118.09 2bh8 s PHE 26 Ca 0.06 1.22 0.04 0.00 -0.96 0.00 0.00 56.93 57.30 2bh8 s PHE 26 Cb -0.00 0.39 0.17 0.00 -0.34 0.00 0.00 43.02 43.24 2bh8 s PHE 26 CO -0.07 -0.56 0.36 -1.71 -1.46 0.00 0.00 175.22 171.78 2bh8 n ASN 27 N 1.17 -0.14 -0.33 6.13 2.85 0.12 -4.91 115.26 120.15 2bh8 n ASN 27 Ca -0.18 -2.46 -0.04 0.00 -0.11 0.00 0.00 54.58 51.79 2bh8 n ASN 27 Cb 0.57 -0.57 0.08 0.00 1.24 0.00 0.00 39.78 41.10 2bh8 n ASN 27 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2bh8 h ALA 28 N 5.58 1.13 -0.58 5.20 0.00 -1.95 -0.91 119.26 127.74 2bh8 h ALA 28 Ca 0.26 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.08 2bh8 h ALA 28 Cb 0.89 -0.35 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 2bh8 h ALA 28 CO 0.41 0.63 0.39 0.22 0.00 0.00 0.00 179.25 180.90 2bh8 h ASP 29 N 1.23 0.56 -0.07 0.00 3.58 -1.95 -1.99 116.42 117.79 2bh8 h ASP 29 Ca 0.31 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.76 2bh8 h ASP 29 Cb 0.02 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.94 2bh8 h ASP 29 CO -0.05 0.38 0.00 0.29 -2.88 0.00 0.00 179.24 176.98 2bh8 n LYS 30 N -4.47 2.13 -2.90 0.28 4.76 -0.73 -4.86 118.16 112.36 2bh8 n LYS 30 Ca 0.07 -1.64 -0.10 0.00 -2.87 0.00 0.00 58.31 53.76 2bh8 n LYS 30 Cb 0.16 -1.47 0.04 0.00 -1.84 0.00 0.00 35.03 31.92 2bh8 n LYS 30 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2bh8 n GLY 31 N 1.30 0.15 3.34 0.72 0.00 -0.42 -4.84 105.19 105.44 2bh8 n GLY 31 Ca 0.16 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.88 2bh8 n GLY 31 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2bh8 s PHE 32 N -3.16 0.34 0.12 1.61 -0.12 -0.98 -0.54 117.98 115.24 2bh8 s PHE 32 Ca 0.17 -0.70 -0.22 0.00 -0.05 0.00 0.00 56.93 56.13 2bh8 s PHE 32 Cb -0.08 -0.02 0.08 0.00 -0.63 0.00 0.00 43.02 42.37 2bh8 s PHE 32 CO 0.36 -0.72 1.04 0.41 -0.05 0.00 0.00 175.22 176.26 2bh8 n GLY 33 N -0.21 0.52 2.87 1.99 0.00 -0.34 0.11 105.19 110.13 2bh8 n GLY 33 Ca -0.08 -1.11 -0.15 0.00 0.00 0.00 0.00 46.02 44.68 2bh8 n GLY 33 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2bh8 s PHE 34 N -2.25 -0.14 0.04 1.61 2.19 0.11 -0.58 117.98 118.96 2bh8 s PHE 34 Ca 0.24 0.48 0.05 0.00 0.33 0.00 0.00 56.93 58.03 2bh8 s PHE 34 Cb -0.02 -0.16 -0.02 0.00 -1.31 0.00 0.00 43.02 41.50 2bh8 s PHE 34 CO 0.03 -0.19 -0.16 0.42 1.83 0.00 0.00 175.22 177.16 2bh8 s ILE 35 N 1.52 1.23 -0.40 3.12 1.01 -0.15 -1.02 121.20 126.50 2bh8 s ILE 35 Ca -0.05 -1.01 -0.11 0.00 0.00 0.00 0.00 60.65 59.48 2bh8 s ILE 35 Cb -0.12 -1.10 0.05 0.00 0.01 0.00 0.00 42.46 41.30 2bh8 s ILE 35 CO -0.06 0.08 0.25 -0.89 0.00 0.00 0.00 174.94 174.32 2bh8 s THR 36 N -0.79 4.54 0.56 2.92 2.01 -0.11 -1.40 115.64 123.38 2bh8 s THR 36 Ca 0.03 -1.07 -0.19 0.00 0.31 0.00 0.00 61.69 60.77 2bh8 s THR 36 Cb -0.08 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2bh8 s THR 36 CO 0.01 -0.38 1.17 -2.84 -0.69 0.00 0.00 174.62 171.89 2bh8 s PRO 37 N 1.52 3.19 0.47 4.92 0.02 -1.26 -1.50 135.00 142.36 2bh8 s PRO 37 Ca 0.02 1.71 0.15 0.00 0.02 0.00 0.00 61.00 62.90 2bh8 s PRO 37 Cb -0.21 -1.98 1.08 0.00 0.02 0.00 0.00 34.50 33.41 2bh8 s PRO 37 CO 0.05 -1.01 2.04 -0.44 -0.33 0.00 0.00 177.00 177.32 2bh8 h ASP 38 N 1.07 0.02 -3.11 2.53 5.19 -1.22 -3.44 116.42 117.46 2bh8 h ASP 38 Ca -0.50 -0.00 -0.62 0.00 -0.62 0.00 0.00 57.03 55.28 2bh8 h ASP 38 Cb 1.28 -0.01 -0.11 0.00 0.18 0.00 0.00 39.33 40.67 2bh8 h ASP 38 CO 0.56 0.13 -0.65 -1.81 -3.12 0.00 0.00 179.24 174.36 2bh8 s ASP 39 N -7.01 5.02 0.21 6.45 1.01 -1.26 -5.03 116.67 116.06 2bh8 s ASP 39 Ca -0.04 -0.24 0.00 0.00 0.71 0.00 0.00 52.55 52.98 2bh8 s ASP 39 Cb 0.16 -1.18 0.00 0.00 1.01 0.00 0.00 42.92 42.92 2bh8 s ASP 39 CO 0.69 0.13 0.00 0.61 0.21 0.00 0.00 175.17 176.81 2bh8 n GLY 40 N 0.22 -1.95 0.22 0.21 0.00 -1.26 -4.64 105.19 97.99 2bh8 n GLY 40 Ca -0.10 -1.35 0.05 0.00 0.00 0.00 0.00 46.02 44.62 2bh8 n GLY 40 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2bh8 n SER 41 N -1.29 2.48 -4.20 1.61 3.41 -1.26 -4.98 113.62 109.38 2bh8 n SER 41 Ca 0.00 -2.49 -0.31 0.00 -0.26 0.00 0.00 58.87 55.81 2bh8 n SER 41 Cb 0.12 -0.24 -0.17 0.00 -0.26 0.00 0.00 64.21 63.66 2bh8 n SER 41 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2bh8 s LYS 42 N -1.86 2.89 0.81 4.33 1.02 -1.26 -5.12 119.74 120.55 2bh8 s LYS 42 Ca 0.19 -0.84 -0.11 0.00 0.02 0.00 0.00 55.97 55.23 2bh8 s LYS 42 Cb 0.15 -2.21 0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2bh8 s LYS 42 CO 0.04 0.18 1.09 -0.51 -0.92 0.00 0.00 175.35 175.23 2bh8 s ASP 43 N 0.35 4.34 -0.05 2.83 1.01 -1.26 -4.36 116.67 119.52 2bh8 s ASP 43 Ca -0.18 1.40 0.01 0.00 0.71 0.00 0.00 52.55 54.49 2bh8 s ASP 43 Cb -0.18 -2.14 0.02 0.00 1.01 0.00 0.00 42.92 41.64 2bh8 s ASP 43 CO 0.08 -2.08 -0.04 0.54 0.21 0.00 0.00 175.17 173.88 2bh8 s VAL 44 N -3.08 0.56 -0.15 -1.27 0.11 -0.49 -5.00 120.40 111.07 2bh8 s VAL 44 Ca 0.61 -0.10 -0.24 0.00 -2.93 0.00 0.00 61.98 59.32 2bh8 s VAL 44 Cb -0.15 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.08 2bh8 s VAL 44 CO 0.55 0.24 0.76 0.12 -3.33 0.00 0.00 175.10 173.44 2bh8 s PHE 45 N 1.12 3.45 0.01 1.54 5.36 -1.26 -0.98 117.98 127.22 2bh8 s PHE 45 Ca -0.08 1.18 0.03 0.00 -0.96 0.00 0.00 56.93 57.11 2bh8 s PHE 45 Cb -0.14 -2.92 -0.03 0.00 -0.34 0.00 0.00 43.02 39.58 2bh8 s PHE 45 CO -0.01 -0.15 -0.05 0.14 -1.46 0.00 0.00 175.22 173.68 2bh8 s VAL 46 N 1.79 3.74 -0.01 3.12 -7.23 0.26 -4.98 120.40 117.09 2bh8 s VAL 46 Ca 0.36 -0.77 0.03 0.00 -1.81 0.00 0.00 61.98 59.79 2bh8 s VAL 46 Cb -0.17 -2.65 -0.01 0.00 0.56 0.00 0.00 36.38 34.12 2bh8 s VAL 46 CO 0.13 0.37 -0.09 -2.28 -0.31 0.00 0.00 175.10 172.91 2bh8 s HIS 47 N -1.04 0.87 0.11 2.82 2.46 -1.26 -1.20 115.29 118.05 2bh8 s HIS 47 Ca 0.18 -0.17 -0.19 0.00 0.47 0.00 0.00 55.06 55.34 2bh8 s HIS 47 Cb -0.11 -0.57 0.05 0.00 -0.13 0.00 0.00 32.58 31.82 2bh8 s HIS 47 CO 0.09 -0.03 0.48 -0.59 -2.47 0.00 0.00 174.74 172.22 2bh8 s PHE 48 N -0.16 -0.34 -0.25 3.88 -0.12 0.30 -4.99 117.98 116.30 2bh8 s PHE 48 Ca 0.03 0.17 -0.29 0.00 -0.05 0.00 0.00 56.93 56.78 2bh8 s PHE 48 Cb -0.04 0.35 -0.01 0.00 -0.63 0.00 0.00 43.02 42.68 2bh8 s PHE 48 CO -0.00 -0.71 1.36 -1.12 -0.05 0.00 0.00 175.22 174.70 2bh8 s SER 49 N -2.51 6.68 0.08 1.98 0.01 -1.26 -4.40 113.70 114.27 2bh8 s SER 49 Ca -0.00 1.43 -0.30 0.00 1.31 0.00 0.00 55.95 58.38 2bh8 s SER 49 Cb 0.00 -2.54 -0.06 0.00 0.21 0.00 0.00 66.02 63.64 2bh8 s SER 49 CO -0.09 -1.04 1.18 0.00 0.41 0.00 0.00 173.24 173.70 2bh8 s ALA 50 N 4.33 3.38 0.00 1.44 0.00 -1.26 -4.93 121.76 124.72 2bh8 s ALA 50 Ca 0.59 0.84 0.00 0.00 0.00 0.00 0.00 51.96 53.39 2bh8 s ALA 50 Cb -0.20 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2bh8 s ALA 50 CO 0.23 -0.40 0.00 0.41 0.00 0.00 0.00 175.76 176.00 2bh8 n GLY 51 N 3.02 -0.72 3.28 0.00 0.00 -1.26 -5.02 105.19 104.49 2bh8 n GLY 51 Ca 0.08 -0.42 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 2bh8 n GLY 51 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2bh8 s SER 52 N -4.00 3.00 0.00 1.61 0.01 -1.26 -4.99 113.70 108.07 2bh8 s SER 52 Ca 0.00 -0.48 0.02 0.00 1.31 0.00 0.00 55.95 56.79 2bh8 s SER 52 Cb 0.00 -0.57 0.02 0.00 0.21 0.00 0.00 66.02 65.68 2bh8 s SER 52 CO 0.00 0.28 0.99 -1.54 0.41 0.00 0.00 173.24 173.38 2bh8 n SER 53 N 2.70 0.06 0.00 2.44 3.41 -1.26 -5.02 113.62 115.95 2bh8 n SER 53 Ca -0.17 -1.97 0.00 0.00 -0.26 0.00 0.00 58.87 56.48 2bh8 n SER 53 Cb 0.52 -0.20 0.00 0.00 -0.26 0.00 0.00 64.21 64.27 2bh8 n SER 53 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2bh8 n GLY 54 N 0.03 2.48 3.90 5.00 0.00 -1.26 -5.12 105.19 110.22 2bh8 n GLY 54 Ca 0.00 -0.30 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 2bh8 n GLY 54 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2bh8 s ALA 55 N -0.09 3.86 0.66 4.61 0.00 -1.26 -5.09 121.76 124.45 2bh8 s ALA 55 Ca 0.00 -1.42 -0.15 0.00 0.00 0.00 0.00 51.96 50.39 2bh8 s ALA 55 Cb 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 23.12 21.66 2bh8 s ALA 55 CO 0.00 0.14 1.11 0.00 0.00 0.00 0.00 175.76 177.01 2bh8 s ALA 56 N -2.14 2.46 0.31 0.00 0.00 -1.26 -4.94 121.76 116.20 2bh8 s ALA 56 Ca 0.37 0.53 -0.29 0.00 0.00 0.00 0.00 51.96 52.57 2bh8 s ALA 56 Cb -0.08 -3.31 -0.10 0.00 0.00 0.00 0.00 23.12 19.62 2bh8 s ALA 56 CO 0.28 -1.29 1.34 0.08 0.00 0.00 0.00 175.76 176.17 2bh8 s VAL 57 N -2.37 2.68 0.36 0.00 1.01 -1.26 -5.03 120.40 115.80 2bh8 s VAL 57 Ca 0.67 0.66 0.07 0.00 0.00 0.00 0.00 61.98 63.38 2bh8 s VAL 57 Cb -0.20 -3.42 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 2bh8 s VAL 57 CO 0.42 0.14 0.38 0.00 0.00 0.00 0.00 175.10 176.04 2bh8 s ARG 58 N -1.47 2.77 0.48 2.72 1.70 -1.26 -5.09 118.95 118.80 2bh8 s ARG 58 Ca 0.51 -1.29 -0.21 0.00 -0.47 0.00 0.00 55.73 54.27 2bh8 s ARG 58 Cb -0.40 -2.55 -0.08 0.00 -0.57 0.00 0.00 34.95 31.35 2bh8 s ARG 58 CO 0.51 -0.02 1.08 0.20 -1.08 0.00 0.00 175.30 175.98 2bh8 s GLY 59 N -4.10 2.61 -0.22 3.88 0.00 -1.26 -4.90 107.32 103.33 2bh8 s GLY 59 Ca 0.45 0.71 -0.40 0.00 0.00 0.00 0.00 44.72 45.48 2bh8 s GLY 59 CO 0.28 1.07 1.61 -2.01 0.00 0.00 0.00 173.10 174.06 2bh8 n ASN 60 N -0.85 1.97 -4.76 1.64 4.05 -1.26 -4.89 115.26 111.16 2bh8 n ASN 60 Ca 0.09 1.10 -0.31 0.00 0.45 0.00 0.00 54.58 55.91 2bh8 n ASN 60 Cb 0.51 -1.11 0.10 0.00 1.23 0.00 0.00 39.78 40.51 2bh8 n ASN 60 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2bh8 s PRO 61 N 2.67 2.15 0.28 1.20 0.04 -1.26 -5.02 135.00 135.05 2bh8 s PRO 61 Ca 0.96 1.23 0.10 0.00 0.04 0.00 0.00 61.00 63.33 2bh8 s PRO 61 Cb -1.11 -1.88 -0.05 0.00 0.04 0.00 0.00 34.50 31.50 2bh8 s PRO 61 CO 0.63 -1.73 -0.04 -0.65 0.04 0.00 0.00 177.00 175.25 2bh8 s GLN 62 N -4.83 2.13 0.03 4.56 -1.52 -1.26 -4.53 119.66 114.25 2bh8 s GLN 62 Ca 0.62 -1.55 -0.37 0.00 -1.95 0.00 0.00 55.36 52.12 2bh8 s GLN 62 Cb -0.18 -2.04 -0.16 0.00 -0.22 0.00 0.00 33.01 30.41 2bh8 s GLN 62 CO 0.55 0.31 1.47 0.94 -0.25 0.00 0.00 175.29 178.32 2bh8 n GLN 63 N -0.85 1.36 0.00 2.91 7.27 -1.26 -1.00 117.38 125.81 2bh8 n GLN 63 Ca -0.06 0.49 0.00 0.00 0.07 0.00 0.00 57.00 57.51 2bh8 n GLN 63 Cb 0.60 -2.17 0.00 0.00 2.41 0.00 0.00 30.24 31.08 2bh8 n GLN 63 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 2bh8 n GLY 64 N 3.01 0.52 3.79 1.69 0.00 -0.31 -4.99 105.19 108.90 2bh8 n GLY 64 Ca 0.20 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.86 2bh8 n GLY 64 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2bh8 s ASP 65 N -1.87 6.74 0.33 1.61 1.01 -0.17 -4.72 116.67 119.60 2bh8 s ASP 65 Ca 0.00 2.00 -0.29 0.00 0.71 0.00 0.00 52.55 54.97 2bh8 s ASP 65 Cb 0.00 -2.58 -0.10 0.00 1.01 0.00 0.00 42.92 41.25 2bh8 s ASP 65 CO 0.00 -0.50 1.34 -0.13 0.21 0.00 0.00 175.17 176.09 2bh8 s ARG 66 N -2.60 4.31 -0.03 8.23 1.81 -1.26 -0.89 118.95 128.52 2bh8 s ARG 66 Ca 0.59 2.27 -0.04 0.00 -1.72 0.00 0.00 55.73 56.83 2bh8 s ARG 66 Cb -0.20 -3.06 0.01 0.00 -0.45 0.00 0.00 34.95 31.24 2bh8 s ARG 66 CO 0.26 -0.26 0.10 0.54 -0.68 0.00 0.00 175.30 175.26 2bh8 s VAL 67 N -1.03 0.03 0.06 3.52 0.11 -0.79 -4.87 120.40 117.43 2bh8 s VAL 67 Ca 0.50 -0.21 0.03 0.00 -2.93 0.00 0.00 61.98 59.37 2bh8 s VAL 67 Cb -0.41 -0.22 -0.03 0.00 -1.53 0.00 0.00 36.38 34.19 2bh8 s VAL 67 CO 0.53 -0.12 -0.09 -1.61 -3.33 0.00 0.00 175.10 170.49 2bh8 s GLU 68 N -0.35 0.67 0.27 1.54 2.02 -1.26 -1.08 118.70 120.51 2bh8 s GLU 68 Ca -0.04 -0.94 -0.20 0.00 0.02 0.00 0.00 54.97 53.80 2bh8 s GLU 68 Cb -0.03 -0.39 0.05 0.00 0.10 0.00 0.00 34.13 33.85 2bh8 s GLU 68 CO 0.00 0.06 0.82 0.20 0.02 0.00 0.00 175.26 176.37 2bh8 s GLY 69 N -1.97 0.03 -0.12 -1.39 0.00 0.09 -5.00 107.32 98.96 2bh8 s GLY 69 Ca -0.03 -0.35 0.01 0.00 0.00 0.00 0.00 44.72 44.35 2bh8 s GLY 69 CO -0.00 0.14 -0.15 1.25 0.00 0.00 0.00 173.10 174.34 2bh8 s LYS 70 N -3.14 3.31 0.15 2.90 2.20 -1.26 0.08 119.74 123.98 2bh8 s LYS 70 Ca 0.14 -0.72 0.11 0.00 -0.36 0.00 0.00 55.97 55.13 2bh8 s LYS 70 Cb -0.04 -2.57 -0.04 0.00 -1.51 0.00 0.00 37.83 33.66 2bh8 s LYS 70 CO 0.07 0.22 -0.24 0.96 -0.36 0.00 0.00 175.35 176.00 2bh8 s ILE 71 N 0.32 2.18 0.01 5.43 -4.36 -1.26 -4.95 121.20 118.56 2bh8 s ILE 71 Ca -0.12 -1.85 0.01 0.00 -0.26 0.00 0.00 60.65 58.43 2bh8 s ILE 71 Cb -0.16 -1.97 -0.01 0.00 1.25 0.00 0.00 42.46 41.57 2bh8 s ILE 71 CO 0.06 -0.05 -0.04 -0.54 0.24 0.00 0.00 174.94 174.62 2bh8 s LYS 72 N -2.34 0.28 0.55 0.37 1.02 -1.26 -4.66 119.74 113.70 2bh8 s LYS 72 Ca 0.16 -0.24 -0.21 0.00 0.02 0.00 0.00 55.97 55.70 2bh8 s LYS 72 Cb -0.09 -0.20 -0.05 0.00 -0.52 0.00 0.00 37.83 36.98 2bh8 s LYS 72 CO 0.07 0.05 1.26 -1.12 -0.92 0.00 0.00 175.35 174.69 2bh8 s SER 73 N -0.40 5.39 -0.84 2.83 0.01 -1.26 -4.95 113.70 114.48 2bh8 s SER 73 Ca -0.02 2.53 -0.18 0.00 1.31 0.00 0.00 55.95 59.60 2bh8 s SER 73 Cb -0.03 -2.62 0.15 0.00 0.21 0.00 0.00 66.02 63.73 2bh8 s SER 73 CO -0.00 -1.47 0.96 -0.63 0.41 0.00 0.00 173.24 172.50 2bh8 s ILE 74 N -1.45 4.99 -0.09 1.44 1.01 -1.26 -4.81 121.20 121.02 2bh8 s ILE 74 Ca 0.73 -1.72 0.22 0.00 0.00 0.00 0.00 60.65 59.88 2bh8 s ILE 74 Cb -0.34 -4.64 -0.24 0.00 0.01 0.00 0.00 42.46 37.24 2bh8 s ILE 74 CO 0.40 -1.31 0.63 0.35 0.00 0.00 0.00 174.94 175.00 2bh8 n THR 75 N 5.07 0.24 -3.87 2.92 -2.24 -1.26 -4.82 114.28 110.31 2bh8 n THR 75 Ca 0.15 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 2bh8 n THR 75 Cb 0.47 -0.12 -0.15 0.00 -2.10 0.00 0.00 70.33 68.43 2bh8 n THR 75 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2bh8 s ASP 76 N -4.81 4.01 0.12 3.42 1.11 -1.26 -5.10 116.67 114.17 2bh8 s ASP 76 Ca -0.06 -1.50 -0.09 0.00 0.18 0.00 0.00 52.55 51.09 2bh8 s ASP 76 Cb 0.12 -1.12 -0.00 0.00 1.07 0.00 0.00 42.92 42.99 2bh8 s ASP 76 CO 0.87 -0.33 0.22 0.72 1.18 0.00 0.00 175.17 177.83 2bh8 s PHE 77 N 1.41 0.26 -0.01 4.23 -0.12 -1.26 -1.64 117.98 120.84 2bh8 s PHE 77 Ca 0.03 -0.66 0.07 0.00 -0.05 0.00 0.00 56.93 56.32 2bh8 s PHE 77 Cb -0.18 -0.07 -0.02 0.00 -0.63 0.00 0.00 43.02 42.12 2bh8 s PHE 77 CO -0.13 -0.61 -0.23 0.20 -0.05 0.00 0.00 175.22 174.40 2bh8 s GLY 78 N -2.90 1.15 -0.23 1.99 0.00 0.29 -4.72 107.32 102.90 2bh8 s GLY 78 Ca 0.10 -1.03 -0.04 0.00 0.00 0.00 0.00 44.72 43.75 2bh8 s GLY 78 CO -0.07 -0.87 -0.03 -0.42 0.00 0.00 0.00 173.10 171.71 2bh8 s ILE 79 N -0.59 3.41 0.06 0.90 1.01 -1.26 -0.58 121.20 124.15 2bh8 s ILE 79 Ca 0.09 -0.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.95 2bh8 s ILE 79 Cb -0.09 -2.57 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 2bh8 s ILE 79 CO -0.00 0.39 0.84 -0.36 0.00 0.00 0.00 174.94 175.81 2bh8 s PHE 80 N 1.48 3.76 -0.15 3.97 0.40 -0.49 -4.97 117.98 121.97 2bh8 s PHE 80 Ca 0.05 1.59 -0.02 0.00 -0.60 0.00 0.00 56.93 57.95 2bh8 s PHE 80 Cb -0.15 -2.91 -0.02 0.00 0.51 0.00 0.00 43.02 40.46 2bh8 s PHE 80 CO -0.03 0.24 -0.08 0.42 0.70 0.00 0.00 175.22 176.47 2bh8 s ILE 81 N 0.01 3.47 0.91 0.64 -1.09 -1.26 -0.73 121.20 123.14 2bh8 s ILE 81 Ca 0.42 -0.50 -0.12 0.00 -2.23 0.00 0.00 60.65 58.22 2bh8 s ILE 81 Cb -0.21 -2.50 0.14 0.00 -1.58 0.00 0.00 42.46 38.30 2bh8 s ILE 81 CO 0.25 0.50 1.10 -0.83 -1.23 0.00 0.00 174.94 174.73 2bh8 s GLY 82 N 0.51 1.60 0.48 6.18 0.00 -0.07 -4.86 107.32 111.15 2bh8 s GLY 82 Ca -0.06 -0.26 0.13 0.00 0.00 0.00 0.00 44.72 44.53 2bh8 s GLY 82 CO 0.03 0.26 2.09 1.41 0.00 0.00 0.00 173.10 176.90 2bh8 h LEU 83 N -1.55 0.12 -0.32 0.66 3.38 -1.99 -1.08 115.31 114.54 2bh8 h LEU 83 Ca -0.51 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.46 2bh8 h LEU 83 Cb 1.30 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 42.02 2bh8 h LEU 83 CO 0.58 0.13 0.00 -0.90 0.09 0.00 0.00 178.44 178.34 2bh8 n ASP 84 N -4.48 0.48 0.00 -0.43 5.75 -1.26 -4.92 116.55 111.69 2bh8 n ASP 84 Ca -0.01 -1.43 0.00 0.00 -0.01 0.00 0.00 54.79 53.34 2bh8 n ASP 84 Cb 0.12 -0.02 0.00 0.00 -1.03 0.00 0.00 41.12 40.18 2bh8 n ASP 84 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2bh8 n GLY 85 N 0.93 0.75 3.95 6.12 0.00 -0.41 -5.07 105.19 111.46 2bh8 n GLY 85 Ca 0.16 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.92 2bh8 n GLY 85 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2bh8 s GLY 86 N -1.71 1.74 -0.59 -0.02 0.00 -1.26 -4.64 107.32 100.84 2bh8 s GLY 86 Ca 0.00 -1.23 -0.24 0.00 0.00 0.00 0.00 44.72 43.26 2bh8 s GLY 86 CO 0.00 -0.70 0.95 -0.42 0.00 0.00 0.00 173.10 172.93 2bh8 s ILE 87 N -3.35 4.36 -0.54 0.90 1.01 -1.26 -0.89 121.20 121.43 2bh8 s ILE 87 Ca 0.65 0.08 0.15 0.00 0.00 0.00 0.00 60.65 61.52 2bh8 s ILE 87 Cb -0.08 -4.59 0.47 0.00 0.01 0.00 0.00 42.46 38.28 2bh8 s ILE 87 CO 0.46 -1.23 1.39 0.47 0.00 0.00 0.00 174.94 176.03 2bh8 n ASP 88 N 7.57 3.66 0.00 3.58 9.92 0.09 -4.94 116.55 136.43 2bh8 n ASP 88 Ca -0.00 -2.59 0.00 0.00 -0.53 0.00 0.00 54.79 51.67 2bh8 n ASP 88 Cb 0.47 -0.44 0.00 0.00 -0.64 0.00 0.00 41.12 40.51 2bh8 n ASP 88 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2bh8 n GLY 89 N 0.04 3.29 2.80 0.44 0.00 -1.23 -4.78 105.19 105.75 2bh8 n GLY 89 Ca 0.18 -0.91 -0.18 0.00 0.00 0.00 0.00 46.02 45.12 2bh8 n GLY 89 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2bh8 s LEU 90 N 0.00 -0.09 0.27 0.99 2.96 -1.26 -1.40 118.68 120.15 2bh8 s LEU 90 Ca 0.00 0.02 0.12 0.00 -0.22 0.00 0.00 54.13 54.05 2bh8 s LEU 90 Cb 0.00 0.34 -0.05 0.00 0.50 0.00 0.00 46.19 46.98 2bh8 s LEU 90 CO 0.00 -0.29 -0.18 0.68 -1.32 0.00 0.00 176.35 175.24 2bh8 s VAL 91 N 2.31 2.60 0.12 1.68 -7.23 0.25 -4.97 120.40 115.16 2bh8 s VAL 91 Ca 0.05 -2.33 -0.30 0.00 -1.81 0.00 0.00 61.98 57.59 2bh8 s VAL 91 Cb -0.14 -2.36 -0.06 0.00 0.56 0.00 0.00 36.38 34.38 2bh8 s VAL 91 CO -0.09 -0.38 0.97 -2.28 -0.31 0.00 0.00 175.10 173.01 2bh8 s HIS 92 N -2.45 3.80 -0.42 2.82 2.46 -1.26 -0.55 115.29 119.69 2bh8 s HIS 92 Ca 0.30 1.79 -0.11 0.00 0.47 0.00 0.00 55.06 57.50 2bh8 s HIS 92 Cb -0.05 -3.07 0.06 0.00 -0.13 0.00 0.00 32.58 29.39 2bh8 s HIS 92 CO 0.15 0.15 0.28 -1.17 -2.47 0.00 0.00 174.74 171.68 2bh8 s LEU 93 N -0.10 5.16 0.04 8.88 2.96 -0.65 -4.77 118.68 130.19 2bh8 s LEU 93 Ca 0.47 -1.32 -0.07 0.00 -0.22 0.00 0.00 54.13 52.98 2bh8 s LEU 93 Cb -0.24 -2.05 -0.30 0.00 0.50 0.00 0.00 46.19 44.10 2bh8 s LEU 93 CO 0.30 -0.52 1.00 0.28 -1.32 0.00 0.00 176.35 176.09 2bh8 h SER 94 N 8.50 0.53 -5.01 3.68 0.02 -1.96 -3.43 113.55 115.88 2bh8 h SER 94 Ca -0.25 -0.62 0.06 0.00 -0.84 0.00 0.00 61.79 60.14 2bh8 h SER 94 Cb 1.10 -0.17 -0.08 0.00 0.14 0.00 0.00 62.40 63.38 2bh8 h SER 94 CO 0.76 1.50 0.27 1.51 -1.14 0.00 0.00 176.83 179.73 2bh8 s ASP 95 N -7.22 -0.36 -0.13 3.07 -4.77 -1.26 -5.17 116.67 100.84 2bh8 s ASP 95 Ca -0.07 -0.35 -0.17 0.00 -3.30 0.00 0.00 52.55 48.66 2bh8 s ASP 95 Cb 0.06 0.64 0.04 0.00 -1.09 0.00 0.00 42.92 42.57 2bh8 s ASP 95 CO 0.89 -1.13 0.45 -0.51 0.70 0.00 0.00 175.17 175.57 2bh8 s ILE 96 N -3.74 0.01 0.01 2.11 2.07 -1.26 -5.17 121.20 115.23 2bh8 s ILE 96 Ca 0.08 -0.09 -0.17 0.00 -1.41 0.00 0.00 60.65 59.06 2bh8 s ILE 96 Cb -0.04 -0.67 0.03 0.00 0.13 0.00 0.00 42.46 41.92 2bh8 s ILE 96 CO -0.01 -0.05 0.36 -0.94 -1.91 0.00 0.00 174.94 172.39 2bh8 s SER 97 N -0.19 -0.23 0.25 4.50 1.04 -1.26 -5.17 113.70 112.63 2bh8 s SER 97 Ca -0.04 0.07 -0.19 0.00 0.48 0.00 0.00 55.95 56.27 2bh8 s SER 97 Cb -0.03 0.36 0.02 0.00 0.10 0.00 0.00 66.02 66.47 2bh8 s SER 97 CO 0.02 -0.54 0.62 -1.66 0.98 0.00 0.00 173.24 172.67 2bh8 s TRP 98 N -1.78 -0.10 -0.28 5.02 -2.14 -1.26 -5.14 118.94 113.25 2bh8 s TRP 98 Ca -0.10 -0.29 -0.11 0.00 2.66 0.00 0.00 56.10 58.26 2bh8 s TRP 98 Cb -0.03 0.53 -0.05 0.00 -3.10 0.00 0.00 33.47 30.83 2bh8 s TRP 98 CO 0.02 -1.09 0.19 0.00 -2.66 0.00 0.00 176.95 173.40 2bh8 s ALA 99 N -3.91 3.52 0.44 2.67 0.00 -1.26 -5.07 121.76 118.14 2bh8 s ALA 99 Ca 0.12 -1.09 -0.25 0.00 0.00 0.00 0.00 51.96 50.73 2bh8 s ALA 99 Cb -0.04 -2.47 -0.08 0.00 0.00 0.00 0.00 23.12 20.53 2bh8 s ALA 99 CO 0.04 -0.55 1.34 1.14 0.00 0.00 0.00 175.76 177.73 2bh8 s GLN 100 N 1.76 3.79 0.21 0.00 -2.07 -1.26 -4.96 119.66 117.13 2bh8 s GLN 100 Ca 0.07 2.24 -0.30 0.00 -1.82 0.00 0.00 55.36 55.54 2bh8 s GLN 100 Cb -0.16 -2.66 -0.09 0.00 -1.09 0.00 0.00 33.01 29.01 2bh8 s GLN 100 CO 0.11 -0.67 1.32 0.00 -1.32 0.00 0.00 175.29 174.73 2bh8 s ALA 101 N -1.26 3.53 0.00 2.60 0.00 -1.26 -5.36 121.76 120.02 2bh8 s ALA 101 Ca 0.60 1.14 0.00 0.00 0.00 0.00 0.00 51.96 53.70 2bh8 s ALA 101 Cb -0.40 -3.49 0.00 0.00 0.00 0.00 0.00 23.12 19.24 2bh8 s ALA 101 CO 0.51 -0.56 0.00 -1.91 0.00 0.00 0.00 175.76 173.80