#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb3 s GLU 2 N 0.00 3.01 -0.19 0.00 2.02 -1.26 -4.93 118.70 117.35 1xb3 s GLU 2 Ca 0.00 -1.38 0.16 0.00 0.02 0.00 0.00 54.97 53.77 1xb3 s GLU 2 Cb 0.00 -4.19 0.66 0.00 0.10 0.00 0.00 34.13 30.69 1xb3 s GLU 2 CO 0.00 -1.21 1.57 0.00 0.02 0.00 0.00 175.26 175.63 1xb3 s SER 4 N -1.36 0.25 -0.04 0.00 1.04 -1.26 -1.36 113.70 110.98 1xb3 s SER 4 Ca 0.47 -0.93 -0.05 0.00 0.48 0.00 0.00 55.95 55.92 1xb3 s SER 4 Cb 0.36 0.31 0.01 0.00 0.10 0.00 0.00 66.02 66.80 1xb3 s SER 4 CO 0.13 -0.73 0.13 0.54 0.98 0.00 0.00 173.24 174.29 1xb3 s VAL 5 N -3.95 0.02 -0.21 5.02 0.11 -0.21 -4.95 120.40 116.24 1xb3 s VAL 5 Ca 0.13 -0.17 -0.09 0.00 -2.93 0.00 0.00 61.98 58.92 1xb3 s VAL 5 Cb 0.06 -0.24 -0.04 0.00 -1.53 0.00 0.00 36.38 34.63 1xb3 s VAL 5 CO -0.05 -0.09 0.10 -1.81 -3.33 0.00 0.00 175.10 169.92 1xb3 s ASP 6 N -0.26 5.78 -0.01 3.54 -0.00 -1.26 -0.96 116.67 123.49 1xb3 s ASP 6 Ca -0.03 0.07 0.05 0.00 -0.00 0.00 0.00 52.55 52.63 1xb3 s ASP 6 Cb -0.03 -2.02 -0.01 0.00 -0.00 0.00 0.00 42.92 40.87 1xb3 s ASP 6 CO 0.00 0.11 -0.15 -0.63 -0.00 0.00 0.00 175.17 174.51 1xb3 s ILE 7 N 0.74 1.19 -0.01 0.77 1.01 0.15 -4.96 121.20 120.08 1xb3 s ILE 7 Ca 0.05 -0.66 0.05 0.00 0.00 0.00 0.00 60.65 60.10 1xb3 s ILE 7 Cb -0.13 -1.00 -0.03 0.00 0.01 0.00 0.00 42.46 41.32 1xb3 s ILE 7 CO 0.02 0.33 -0.16 -1.10 0.00 0.00 0.00 174.94 174.03 1xb3 s GLN 8 N -0.38 2.34 -0.12 2.79 -0.21 -1.26 -1.37 119.66 121.45 1xb3 s GLN 8 Ca 0.06 -0.81 0.03 0.00 0.02 0.00 0.00 55.36 54.66 1xb3 s GLN 8 Cb -0.06 -2.30 0.00 0.00 1.00 0.00 0.00 33.01 31.65 1xb3 s GLN 8 CO -0.01 0.59 -0.22 0.20 -2.12 0.00 0.00 175.29 173.74 1xb3 s GLY 9 N -1.01 1.37 0.31 3.09 0.00 -0.57 -2.06 107.32 108.45 1xb3 s GLY 9 Ca 0.13 -1.01 0.02 0.00 0.00 0.00 0.00 44.72 43.86 1xb3 s GLY 9 CO 0.02 -0.19 0.13 1.16 0.00 0.00 0.00 173.10 174.22 1xb3 n ASN 10 N 3.74 2.38 0.06 1.64 0.23 -0.78 -3.75 115.26 118.78 1xb3 n ASN 10 Ca -0.19 -2.19 0.10 0.00 -0.53 0.00 0.00 54.58 51.77 1xb3 n ASN 10 Cb 0.52 0.08 0.43 0.00 -2.08 0.00 0.00 39.78 38.73 1xb3 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xb3 n ASP 11 N -1.57 0.33 -1.84 0.53 8.00 -1.26 -2.49 116.55 118.25 1xb3 n ASP 11 Ca -0.06 0.57 0.08 0.00 0.71 0.00 0.00 54.79 56.08 1xb3 n ASP 11 Cb 0.37 -0.64 0.40 0.00 -0.02 0.00 0.00 41.12 41.23 1xb3 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xb3 n GLN 12 N -1.85 4.68 -3.54 -1.24 3.00 -1.26 -4.94 117.38 112.23 1xb3 n GLN 12 Ca 0.04 -3.12 -0.20 0.00 -0.01 0.00 0.00 57.00 53.71 1xb3 n GLN 12 Cb 0.24 -2.20 0.07 0.00 0.00 0.00 0.00 30.24 28.36 1xb3 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1xb3 n MET 13 N 0.74 -6.42 -5.03 -1.09 1.56 -1.04 -5.00 117.12 100.84 1xb3 n MET 13 Ca 0.28 0.78 -0.29 0.00 -0.27 0.00 0.00 57.70 58.20 1xb3 n MET 13 Cb 1.14 -5.70 -0.16 0.00 2.15 0.00 0.00 33.22 30.64 1xb3 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1xb3 s GLN 14 N -5.70 2.26 0.38 2.12 -0.21 -1.26 -4.47 119.66 112.78 1xb3 s GLN 14 Ca 0.12 -0.74 -0.14 0.00 0.02 0.00 0.00 55.36 54.63 1xb3 s GLN 14 Cb -0.06 -1.88 -0.08 0.00 1.00 0.00 0.00 33.01 32.00 1xb3 s GLN 14 CO 0.75 0.26 0.79 -0.06 -2.12 0.00 0.00 175.29 174.91 1xb3 s PHE 15 N 0.09 3.41 -1.03 0.91 2.99 -1.26 -1.87 117.98 121.21 1xb3 s PHE 15 Ca -0.08 1.21 0.09 0.00 0.00 0.00 0.00 56.93 58.15 1xb3 s PHE 15 Cb -0.14 -2.55 0.40 0.00 0.00 0.00 0.00 43.02 40.73 1xb3 s PHE 15 CO 0.04 -0.05 1.19 0.27 -0.00 0.00 0.00 175.22 176.67 1xb3 n ASN 16 N -0.87 3.02 -3.74 1.36 2.04 -0.87 -4.81 115.26 111.38 1xb3 n ASN 16 Ca 0.04 -2.33 -0.12 0.00 -0.44 0.00 0.00 54.58 51.72 1xb3 n ASN 16 Cb 0.54 -0.49 -0.07 0.00 -2.53 0.00 0.00 39.78 37.22 1xb3 n ASN 16 CO 0.00 0.00 0.00 0.28 -0.44 0.00 0.00 177.26 177.10 1xb3 s THR 17 N -1.78 0.08 -0.03 5.53 -1.32 -1.26 -4.98 115.64 111.87 1xb3 s THR 17 Ca 0.27 -0.63 0.05 0.00 -1.21 0.00 0.00 61.69 60.17 1xb3 s THR 17 Cb 0.19 -0.91 0.07 0.00 -1.51 0.00 0.00 72.50 70.34 1xb3 s THR 17 CO 0.11 -0.35 0.99 -0.46 -2.21 0.00 0.00 174.62 172.70 1xb3 n ASN 18 N 0.63 1.83 -3.64 8.08 0.23 -1.26 -4.84 115.26 116.29 1xb3 n ASN 18 Ca -0.19 -2.17 -0.04 0.00 -0.53 0.00 0.00 54.58 51.65 1xb3 n ASN 18 Cb 0.59 -0.11 -0.06 0.00 -2.08 0.00 0.00 39.78 38.12 1xb3 n ASN 18 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1xb3 s ALA 19 N -1.33 -1.96 -0.13 -2.53 0.00 -1.26 -2.08 121.76 112.47 1xb3 s ALA 19 Ca 0.08 2.39 -0.00 0.00 0.00 0.00 0.00 51.96 54.43 1xb3 s ALA 19 Cb 0.07 -1.59 -0.02 0.00 0.00 0.00 0.00 23.12 21.58 1xb3 s ALA 19 CO 0.01 -0.63 -0.12 0.42 0.00 0.00 0.00 175.76 175.43 1xb3 s ILE 20 N 2.22 3.12 -0.20 0.00 1.01 0.48 -4.96 121.20 122.87 1xb3 s ILE 20 Ca -0.08 -0.64 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 1xb3 s ILE 20 Cb -0.08 -2.31 -0.04 0.00 0.01 0.00 0.00 42.46 40.04 1xb3 s ILE 20 CO -0.20 0.53 0.08 -0.89 0.00 0.00 0.00 174.94 174.46 1xb3 s THR 21 N 0.27 4.80 -0.32 2.92 2.01 -1.26 -1.28 115.64 122.77 1xb3 s THR 21 Ca -0.09 -0.02 -0.08 0.00 0.31 0.00 0.00 61.69 61.81 1xb3 s THR 21 Cb -0.15 -3.19 0.02 0.00 0.01 0.00 0.00 72.50 69.19 1xb3 s THR 21 CO 0.05 0.42 0.11 -0.69 -0.69 0.00 0.00 174.62 173.83 1xb3 s VAL 22 N 0.70 4.04 -0.06 3.82 1.01 0.24 -4.95 120.40 125.19 1xb3 s VAL 22 Ca 0.04 -0.86 -0.30 0.00 0.00 0.00 0.00 61.98 60.87 1xb3 s VAL 22 Cb -0.13 -3.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.01 1xb3 s VAL 22 CO 0.02 -0.06 1.74 -0.62 0.00 0.00 0.00 175.10 176.18 1xb3 s ASP 23 N 1.48 6.54 0.63 3.32 -1.08 -1.26 -1.72 116.67 124.59 1xb3 s ASP 23 Ca 0.01 2.26 0.42 0.00 -0.52 0.00 0.00 52.55 54.72 1xb3 s ASP 23 Cb -0.18 -2.53 2.24 0.00 -1.46 0.00 0.00 42.92 40.98 1xb3 s ASP 23 CO 0.03 -1.03 2.29 0.07 0.52 0.00 0.00 175.17 177.06 1xb3 h LYS 24 N 10.10 0.00 0.00 4.34 2.10 -1.48 0.09 116.57 131.72 1xb3 h LYS 24 Ca -0.41 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.24 1xb3 h LYS 24 Cb 1.19 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.52 1xb3 h LYS 24 CO 0.96 0.00 0.00 -1.13 -2.00 0.00 0.00 179.45 177.28 1xb3 n SER 25 N -3.04 0.60 -4.72 7.07 3.41 -1.26 -4.75 113.62 110.93 1xb3 n SER 25 Ca -0.02 0.61 -0.42 0.00 -0.26 0.00 0.00 58.87 58.78 1xb3 n SER 25 Cb 0.10 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.27 1xb3 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb3 h LYS 27 N 6.41 0.41 -5.44 0.00 1.79 -1.88 -3.42 116.57 114.44 1xb3 h LYS 27 Ca -0.43 -0.50 -0.42 0.00 -2.18 0.00 0.00 60.65 57.11 1xb3 h LYS 27 Cb 1.21 0.16 -0.20 0.00 -1.58 0.00 0.00 32.23 31.82 1xb3 h LYS 27 CO 0.84 1.17 -0.77 -0.65 -1.08 0.00 0.00 179.45 178.96 1xb3 s GLN 28 N -3.08 0.93 -0.00 3.15 1.11 -1.26 -0.96 119.66 119.55 1xb3 s GLN 28 Ca -0.06 -1.10 0.04 0.00 0.01 0.00 0.00 55.36 54.25 1xb3 s GLN 28 Cb 0.08 -0.90 -0.01 0.00 -1.01 0.00 0.00 33.01 31.17 1xb3 s GLN 28 CO 0.88 0.19 -0.13 0.12 0.01 0.00 0.00 175.29 176.36 1xb3 s PHE 29 N -1.68 1.15 -0.07 0.91 2.19 -0.13 -4.85 117.98 115.51 1xb3 s PHE 29 Ca 0.04 -0.23 0.05 0.00 0.33 0.00 0.00 56.93 57.11 1xb3 s PHE 29 Cb -0.08 -0.73 -0.00 0.00 -1.31 0.00 0.00 43.02 40.90 1xb3 s PHE 29 CO 0.03 -0.01 -0.21 0.99 1.83 0.00 0.00 175.22 177.84 1xb3 s THR 30 N -0.38 1.80 -0.18 0.12 2.01 -0.46 -1.28 115.64 117.26 1xb3 s THR 30 Ca 0.04 -0.90 -0.03 0.00 0.31 0.00 0.00 61.69 61.12 1xb3 s THR 30 Cb -0.05 -1.55 -0.01 0.00 0.01 0.00 0.00 72.50 70.90 1xb3 s THR 30 CO -0.00 0.50 -0.07 -0.69 -0.69 0.00 0.00 174.62 173.67 1xb3 s VAL 31 N 0.13 3.38 -0.39 3.82 1.01 -0.31 -1.05 120.40 126.99 1xb3 s VAL 31 Ca -0.10 -0.51 -0.10 0.00 0.00 0.00 0.00 61.98 61.27 1xb3 s VAL 31 Cb -0.15 -2.50 0.05 0.00 0.00 0.00 0.00 36.38 33.79 1xb3 s VAL 31 CO 0.05 0.47 0.22 0.20 0.00 0.00 0.00 175.10 176.04 1xb3 s ASN 32 N 0.94 5.65 -0.13 3.32 0.02 -0.14 -1.21 114.94 123.40 1xb3 s ASN 32 Ca -0.01 -1.25 -0.07 0.00 -1.02 0.00 0.00 52.86 50.51 1xb3 s ASN 32 Cb -0.15 -1.99 -0.04 0.00 0.02 0.00 0.00 41.25 39.09 1xb3 s ASN 32 CO 0.00 -0.45 0.13 -0.22 0.02 0.00 0.00 177.10 176.58 1xb3 s LEU 33 N 1.48 4.34 0.16 0.60 2.96 0.32 -0.68 118.68 127.85 1xb3 s LEU 33 Ca 0.02 0.42 -0.01 0.00 -0.22 0.00 0.00 54.13 54.34 1xb3 s LEU 33 Cb -0.21 -2.07 -0.04 0.00 0.50 0.00 0.00 46.19 44.37 1xb3 s LEU 33 CO 0.04 0.37 0.08 -0.94 -1.32 0.00 0.00 176.35 174.59 1xb3 s SER 34 N -0.80 0.25 -0.41 3.68 1.04 -0.47 -1.26 113.70 115.72 1xb3 s SER 34 Ca 0.14 -1.28 0.02 0.00 0.48 0.00 0.00 55.95 55.31 1xb3 s SER 34 Cb -0.12 0.33 0.14 0.00 0.10 0.00 0.00 66.02 66.47 1xb3 s SER 34 CO 0.03 -0.77 0.24 -2.28 0.98 0.00 0.00 173.24 171.44 1xb3 s HIS 35 N -4.09 1.55 -0.49 5.02 2.46 -1.14 -1.52 115.29 117.09 1xb3 s HIS 35 Ca 0.30 -2.17 0.12 0.00 0.47 0.00 0.00 55.06 53.78 1xb3 s HIS 35 Cb 0.07 -1.54 0.66 0.00 -0.13 0.00 0.00 32.58 31.64 1xb3 s HIS 35 CO 0.06 -0.80 1.35 -2.30 -2.47 0.00 0.00 174.74 170.58 1xb3 n PRO 36 N 3.65 0.08 0.00 2.88 -0.02 -1.25 -1.36 135.00 138.98 1xb3 n PRO 36 Ca 0.11 0.57 0.00 0.00 -2.02 0.00 0.00 63.50 62.15 1xb3 n PRO 36 Cb 0.36 -1.79 0.00 0.00 -0.02 0.00 0.00 33.50 32.05 1xb3 n PRO 36 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xb3 n GLY 37 N -1.37 -2.18 0.15 -1.23 0.00 -1.26 -4.85 105.19 94.44 1xb3 n GLY 37 Ca -0.01 -1.47 0.05 0.00 0.00 0.00 0.00 46.02 44.59 1xb3 n GLY 37 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xb3 n ASN 38 N -2.40 0.97 -4.82 1.61 3.02 -1.26 -4.23 115.26 108.15 1xb3 n ASN 38 Ca 0.00 -0.99 -0.38 0.00 -0.03 0.00 0.00 54.58 53.18 1xb3 n ASN 38 Cb 0.00 0.69 -0.06 0.00 -0.61 0.00 0.00 39.78 39.80 1xb3 n ASN 38 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xb3 s LEU 39 N -2.03 4.50 0.84 3.41 1.43 -1.26 -4.83 118.68 120.74 1xb3 s LEU 39 Ca 0.07 1.13 -0.12 0.00 -1.03 0.00 0.00 54.13 54.18 1xb3 s LEU 39 Cb 0.09 -2.76 0.09 0.00 0.03 0.00 0.00 46.19 43.64 1xb3 s LEU 39 CO 0.35 0.30 1.10 -2.16 0.23 0.00 0.00 176.35 176.17 1xb3 s PRO 40 N -1.09 1.74 0.53 1.29 0.04 -1.26 -1.43 135.00 134.82 1xb3 s PRO 40 Ca 0.27 0.60 0.34 0.00 0.04 0.00 0.00 61.00 62.24 1xb3 s PRO 40 Cb -0.18 -1.88 1.45 0.00 0.04 0.00 0.00 34.50 33.92 1xb3 s PRO 40 CO 0.16 -1.85 2.00 1.57 0.04 0.00 0.00 177.00 178.92 1xb3 h LYS 41 N -1.25 0.00 0.00 4.56 2.10 -1.86 -1.12 116.57 119.00 1xb3 h LYS 41 Ca -0.48 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.17 1xb3 h LYS 41 Cb 1.28 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.61 1xb3 h LYS 41 CO 0.59 0.00 0.00 -2.95 -2.00 0.00 0.00 179.45 175.09 1xb3 h ASN 42 N 0.00 0.00 0.00 7.07 -0.00 -1.95 -1.57 115.58 119.13 1xb3 h ASN 42 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 56.30 56.04 1xb3 h ASN 42 Cb 0.43 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 38.70 1xb3 h ASN 42 CO 0.00 0.00 -1.99 0.52 -0.00 0.00 0.00 177.43 175.96 1xb3 n VAL 43 N -2.34 1.00 -2.72 6.14 0.31 -0.76 -4.82 118.33 115.14 1xb3 n VAL 43 Ca 0.05 -0.44 -0.00 0.00 -0.01 0.00 0.00 64.34 63.94 1xb3 n VAL 43 Cb 0.39 -1.00 0.06 0.00 -0.91 0.00 0.00 33.84 32.38 1xb3 n VAL 43 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 1xb3 n MET 44 N -2.89 1.34 -1.93 5.55 1.56 -0.50 -5.03 117.12 115.22 1xb3 n MET 44 Ca -0.29 -2.71 -0.39 0.00 -0.27 0.00 0.00 57.70 54.04 1xb3 n MET 44 Cb 0.86 -0.87 0.01 0.00 2.15 0.00 0.00 33.22 35.37 1xb3 n MET 44 CO 0.00 0.00 0.00 0.20 -0.73 0.00 0.00 175.97 175.44 1xb3 s GLY 45 N -2.87 2.91 0.01 -5.12 0.00 -0.59 -4.77 107.32 96.89 1xb3 s GLY 45 Ca 0.23 1.33 0.04 0.00 0.00 0.00 0.00 44.72 46.32 1xb3 s GLY 45 CO -0.07 1.92 -0.13 0.30 0.00 0.00 0.00 173.10 175.12 1xb3 s HIS 46 N -1.25 1.13 0.41 1.90 3.76 -0.48 -4.67 115.29 116.09 1xb3 s HIS 46 Ca 0.60 -0.27 0.04 0.00 -0.15 0.00 0.00 55.06 55.28 1xb3 s HIS 46 Cb -0.40 -0.70 -0.04 0.00 1.11 0.00 0.00 32.58 32.54 1xb3 s HIS 46 CO 0.51 0.00 0.06 0.54 -0.85 0.00 0.00 174.74 175.00 1xb3 s ASN 47 N -0.65 3.20 -0.16 1.40 2.20 -1.26 -0.60 114.94 119.06 1xb3 s ASN 47 Ca 0.03 -1.55 0.01 0.00 -0.94 0.00 0.00 52.86 50.41 1xb3 s ASN 47 Cb -0.06 0.22 0.03 0.00 -2.00 0.00 0.00 41.25 39.43 1xb3 s ASN 47 CO 0.00 -0.75 -0.14 0.86 -2.94 0.00 0.00 177.10 174.13 1xb3 s TRP 48 N -3.07 2.30 -0.03 1.54 -0.00 -1.26 -3.98 118.94 114.43 1xb3 s TRP 48 Ca 0.24 -1.36 0.03 0.00 -0.00 0.00 0.00 56.10 55.02 1xb3 s TRP 48 Cb 0.05 -1.64 0.00 0.00 -0.00 0.00 0.00 33.47 31.88 1xb3 s TRP 48 CO 0.12 -0.70 -0.12 0.08 -0.00 0.00 0.00 176.95 176.33 1xb3 s VAL 49 N 1.44 1.04 -0.08 5.86 1.01 -0.16 -1.16 120.40 128.35 1xb3 s VAL 49 Ca 0.03 -0.50 0.05 0.00 0.00 0.00 0.00 61.98 61.56 1xb3 s VAL 49 Cb -0.14 -0.91 -0.00 0.00 0.00 0.00 0.00 36.38 35.33 1xb3 s VAL 49 CO -0.10 0.31 -0.24 -0.22 0.00 0.00 0.00 175.10 174.85 1xb3 s LEU 50 N 0.15 2.06 0.25 3.92 2.96 -0.45 -1.37 118.68 126.20 1xb3 s LEU 50 Ca -0.04 -0.52 -0.13 0.00 -0.22 0.00 0.00 54.13 53.22 1xb3 s LEU 50 Cb -0.10 -1.36 -0.00 0.00 0.50 0.00 0.00 46.19 45.23 1xb3 s LEU 50 CO 0.01 0.19 0.48 -0.94 -1.32 0.00 0.00 176.35 174.78 1xb3 s SER 51 N 0.13 -0.07 0.79 3.68 1.04 -0.83 -1.08 113.70 117.36 1xb3 s SER 51 Ca -0.12 -0.94 -0.13 0.00 0.48 0.00 0.00 55.95 55.24 1xb3 s SER 51 Cb -0.16 0.59 0.07 0.00 0.10 0.00 0.00 66.02 66.62 1xb3 s SER 51 CO 0.06 -1.15 1.17 0.42 0.98 0.00 0.00 173.24 174.72 1xb3 s THR 52 N -3.98 2.44 0.27 2.02 -4.23 -1.26 -1.07 115.64 109.82 1xb3 s THR 52 Ca 0.22 0.18 -0.02 0.00 -1.18 0.00 0.00 61.69 60.89 1xb3 s THR 52 Cb -0.01 -2.56 0.27 0.00 1.34 0.00 0.00 72.50 71.54 1xb3 s THR 52 CO 0.09 -0.15 1.89 0.00 -0.54 0.00 0.00 174.62 175.92 1xb3 h ALA 53 N -0.89 1.40 -0.19 3.99 0.00 -1.18 -1.79 119.26 120.60 1xb3 h ALA 53 Ca -0.46 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 1xb3 h ALA 53 Cb 1.27 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 18.73 1xb3 h ALA 53 CO 0.48 0.47 0.00 0.00 0.00 0.00 0.00 179.25 180.20 1xb3 h ALA 54 N 1.45 1.65 -0.00 0.00 0.00 -1.91 -2.85 119.26 117.61 1xb3 h ALA 54 Ca 0.42 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1xb3 h ALA 54 Cb 0.12 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1xb3 h ALA 54 CO -0.16 0.26 -0.51 -0.25 0.00 0.00 0.00 179.25 178.60 1xb3 n ASP 55 N -4.38 0.73 -0.03 0.00 8.00 -0.71 -4.51 116.55 115.65 1xb3 n ASP 55 Ca -0.00 -0.53 -0.10 0.00 0.71 0.00 0.00 54.79 54.87 1xb3 n ASP 55 Cb 0.18 0.33 -0.04 0.00 -0.02 0.00 0.00 41.12 41.56 1xb3 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1xb3 h MET 56 N 0.35 0.22 -0.82 -1.24 1.85 -1.20 -1.78 114.93 112.31 1xb3 h MET 56 Ca 0.00 -0.01 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 1xb3 h MET 56 Cb 0.51 -0.05 -0.04 0.00 0.43 0.00 0.00 31.60 32.45 1xb3 h MET 56 CO 0.00 0.15 0.53 0.37 -0.40 0.00 0.00 176.91 177.56 1xb3 h GLN 57 N 0.22 1.09 -0.73 0.39 5.75 -1.79 -1.27 115.11 118.77 1xb3 h GLN 57 Ca 0.06 -0.07 -0.03 0.00 -0.15 0.00 0.00 58.65 58.46 1xb3 h GLN 57 Cb -0.02 -0.24 -0.03 0.00 1.07 0.00 0.00 27.48 28.26 1xb3 h GLN 57 CO -0.01 0.73 0.34 0.78 -2.65 0.00 0.00 178.83 178.02 1xb3 h GLY 58 N 1.12 1.14 0.91 2.39 0.00 -1.76 -0.55 103.07 106.32 1xb3 h GLY 58 Ca 0.30 -0.58 -0.06 0.00 0.00 0.00 0.00 47.33 46.98 1xb3 h GLY 58 CO -0.06 0.55 -0.03 -2.08 0.00 0.00 0.00 176.54 174.92 1xb3 h VAL 59 N 1.03 1.27 -0.41 4.60 2.07 -0.95 0.56 116.25 124.42 1xb3 h VAL 59 Ca 0.25 -1.04 -0.01 0.00 0.82 0.00 0.00 66.70 66.72 1xb3 h VAL 59 Cb 0.14 1.27 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1xb3 h VAL 59 CO -0.03 0.34 0.21 0.58 0.02 0.00 0.00 177.57 178.69 1xb3 h VAL 60 N 0.42 1.16 -0.30 2.57 2.07 -1.08 -0.40 116.25 120.68 1xb3 h VAL 60 Ca 0.09 -0.44 -0.05 0.00 0.82 0.00 0.00 66.70 67.12 1xb3 h VAL 60 Cb 0.51 0.71 -0.01 0.00 -1.52 0.00 0.00 31.29 30.98 1xb3 h VAL 60 CO 0.02 0.17 -0.02 0.74 0.02 0.00 0.00 177.57 178.51 1xb3 h THR 61 N 0.52 1.26 -0.74 2.57 2.02 -0.94 -0.72 112.91 116.87 1xb3 h THR 61 Ca 0.14 -0.99 0.02 0.00 0.77 0.00 0.00 66.41 66.35 1xb3 h THR 61 Cb 0.08 1.30 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 1xb3 h THR 61 CO -0.02 0.32 0.49 0.00 0.37 0.00 0.00 175.52 176.68 1xb3 h GLY 63 N 0.96 0.75 0.07 0.00 0.00 -0.56 -2.94 103.07 101.36 1xb3 h GLY 63 Ca 0.28 -0.88 0.26 0.00 0.00 0.00 0.00 47.33 46.99 1xb3 h GLY 63 CO -0.07 0.79 0.67 1.98 0.00 0.00 0.00 176.54 179.91 1xb3 h MET 64 N 0.39 0.19 -0.20 4.80 -1.53 -0.95 -0.39 114.93 117.25 1xb3 h MET 64 Ca 0.01 -0.01 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 1xb3 h MET 64 Cb 1.02 -0.04 0.00 0.00 -0.55 0.00 0.00 31.60 32.03 1xb3 h MET 64 CO 0.09 0.13 0.00 0.00 0.14 0.00 0.00 176.91 177.27 1xb3 n ALA 65 N -2.61 2.39 0.19 0.39 0.00 -1.22 -4.24 120.51 115.41 1xb3 n ALA 65 Ca 0.21 -0.84 0.08 0.00 0.00 0.00 0.00 53.44 52.89 1xb3 n ALA 65 Cb 0.91 -0.57 0.20 0.00 0.00 0.00 0.00 19.45 19.99 1xb3 n ALA 65 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 1xb3 h SER 66 N 3.07 0.00 -4.19 0.00 0.02 -0.87 -3.50 113.55 108.08 1xb3 h SER 66 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xb3 h SER 66 Cb 0.73 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.27 1xb3 h SER 66 CO 0.00 0.27 0.00 0.61 -1.14 0.00 0.00 176.83 176.57 1xb3 n GLY 67 N 0.89 -1.43 0.33 -3.77 0.00 -1.22 -4.19 105.19 95.81 1xb3 n GLY 67 Ca 0.02 -1.58 0.02 0.00 0.00 0.00 0.00 46.02 44.49 1xb3 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xb3 h LEU 68 N 0.00 0.86 0.00 0.99 5.85 -1.93 -1.13 115.31 119.96 1xb3 h LEU 68 Ca 0.00 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.74 1xb3 h LEU 68 Cb 0.00 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 40.88 1xb3 h LEU 68 CO 0.00 0.53 0.00 -0.90 -0.34 0.00 0.00 178.44 177.73 1xb3 n ASP 69 N -4.62 0.00 -1.12 1.25 5.75 -1.26 -1.15 116.55 115.40 1xb3 n ASP 69 Ca 0.14 0.35 0.08 0.00 -0.01 0.00 0.00 54.79 55.36 1xb3 n ASP 69 Cb 0.22 -0.44 0.29 0.00 -1.03 0.00 0.00 41.12 40.16 1xb3 n ASP 69 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1xb3 n LYS 70 N -1.44 3.39 -3.33 0.11 5.02 -0.78 -4.96 118.16 116.17 1xb3 n LYS 70 Ca 0.06 -2.91 -0.23 0.00 -2.02 0.00 0.00 58.31 53.20 1xb3 n LYS 70 Cb 0.21 -1.94 0.00 0.00 -0.02 0.00 0.00 35.03 33.28 1xb3 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xb3 n ASP 71 N -0.23 -4.18 -4.26 4.39 9.92 -0.30 -1.64 116.55 120.25 1xb3 n ASP 71 Ca 0.23 -0.39 -0.36 0.00 -0.53 0.00 0.00 54.79 53.74 1xb3 n ASP 71 Cb 0.96 -3.43 -0.04 0.00 -0.64 0.00 0.00 41.12 37.97 1xb3 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xb3 n TYR 72 N -4.07 -1.59 -4.22 1.24 4.01 -0.50 -4.70 117.16 107.34 1xb3 n TYR 72 Ca -0.03 0.76 -0.17 0.00 -0.16 0.00 0.00 57.90 58.31 1xb3 n TYR 72 Cb 0.55 -2.83 -0.14 0.00 -0.31 0.00 0.00 39.34 36.61 1xb3 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xb3 s LEU 73 N -7.24 2.04 -0.04 7.72 1.43 -0.65 -4.24 118.68 117.71 1xb3 s LEU 73 Ca 0.62 -0.18 -0.30 0.00 -1.03 0.00 0.00 54.13 53.25 1xb3 s LEU 73 Cb -0.35 -0.33 -0.05 0.00 0.03 0.00 0.00 46.19 45.50 1xb3 s LEU 73 CO 0.95 0.05 1.48 0.00 0.23 0.00 0.00 176.35 179.05 1xb3 n PRO 75 N 6.21 1.70 -3.37 0.00 -0.02 -1.26 -2.95 135.00 135.30 1xb3 n PRO 75 Ca 0.15 0.61 -0.24 0.00 -2.02 0.00 0.00 63.50 62.00 1xb3 n PRO 75 Cb 0.43 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.68 1xb3 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xb3 n ASP 76 N 0.36 -4.04 -4.62 2.55 10.43 -1.26 -4.88 116.55 115.08 1xb3 n ASP 76 Ca 0.08 -0.41 -0.43 0.00 2.57 0.00 0.00 54.79 56.60 1xb3 n ASP 76 Cb 0.39 -3.32 -0.02 0.00 1.84 0.00 0.00 41.12 40.01 1xb3 n ASP 76 CO 0.00 0.00 0.00 -0.62 -1.07 0.00 0.00 177.20 175.51 1xb3 s ASP 77 N -2.76 6.71 0.00 -2.24 -1.08 -1.15 -4.92 116.67 111.23 1xb3 s ASP 77 Ca 0.41 0.86 0.24 0.00 -0.52 0.00 0.00 52.55 53.54 1xb3 s ASP 77 Cb -0.21 -2.54 1.18 0.00 -1.46 0.00 0.00 42.92 39.88 1xb3 s ASP 77 CO 0.50 -1.11 1.80 -1.54 0.52 0.00 0.00 175.17 175.34 1xb3 n SER 78 N 7.56 0.00 0.23 -0.34 3.41 -1.26 -1.94 113.62 121.28 1xb3 n SER 78 Ca 0.13 0.08 0.13 0.00 -0.26 0.00 0.00 58.87 58.95 1xb3 n SER 78 Cb 0.48 -0.34 0.29 0.00 -0.26 0.00 0.00 64.21 64.37 1xb3 n SER 78 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 1xb3 h ARG 79 N 0.00 0.00 -6.16 4.33 3.08 -1.96 -3.42 114.38 110.24 1xb3 h ARG 79 Ca 0.00 0.00 -0.60 0.00 0.07 0.00 0.00 59.98 59.45 1xb3 h ARG 79 Cb 0.27 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 30.22 1xb3 h ARG 79 CO 0.00 0.00 0.60 0.08 -1.07 0.00 0.00 179.97 179.58 1xb3 s VAL 80 N -3.30 4.48 0.19 2.04 1.01 -0.82 -4.49 120.40 119.51 1xb3 s VAL 80 Ca 0.06 0.81 -0.05 0.00 0.00 0.00 0.00 61.98 62.80 1xb3 s VAL 80 Cb 0.06 -4.43 -0.01 0.00 0.00 0.00 0.00 36.38 32.00 1xb3 s VAL 80 CO 0.64 -0.81 1.56 0.40 0.00 0.00 0.00 175.10 176.89 1xb3 h ILE 81 N 6.06 1.29 -1.97 2.22 2.04 -1.36 -3.46 117.51 122.32 1xb3 h ILE 81 Ca -0.24 -1.54 0.04 0.00 1.00 0.00 0.00 64.86 64.12 1xb3 h ILE 81 Cb 1.08 1.46 -0.19 0.00 -0.74 0.00 0.00 36.82 38.42 1xb3 h ILE 81 CO 1.02 0.50 0.41 0.00 0.00 0.00 0.00 178.15 180.09 1xb3 s ALA 82 N -4.33 -1.84 0.04 1.87 0.00 -1.24 -4.97 121.76 111.30 1xb3 s ALA 82 Ca -0.09 1.29 -0.23 0.00 0.00 0.00 0.00 51.96 52.93 1xb3 s ALA 82 Cb 0.12 -0.12 0.05 0.00 0.00 0.00 0.00 23.12 23.18 1xb3 s ALA 82 CO 0.84 -0.46 0.54 -3.38 0.00 0.00 0.00 175.76 173.30 1xb3 s HIS 83 N -1.84 -0.45 0.70 0.00 -3.43 -1.26 -1.34 115.29 107.67 1xb3 s HIS 83 Ca -0.02 0.53 -0.03 0.00 -0.80 0.00 0.00 55.06 54.74 1xb3 s HIS 83 Cb -0.01 0.35 0.10 0.00 -1.43 0.00 0.00 32.58 31.60 1xb3 s HIS 83 CO -0.00 -0.64 0.98 0.95 -2.00 0.00 0.00 174.74 174.02 1xb3 s THR 84 N -2.35 2.26 0.85 -5.38 -4.23 -0.31 -4.79 115.64 101.69 1xb3 s THR 84 Ca -0.06 -0.51 -0.12 0.00 -1.18 0.00 0.00 61.69 59.82 1xb3 s THR 84 Cb -0.01 -2.75 0.10 0.00 1.34 0.00 0.00 72.50 71.19 1xb3 s THR 84 CO -0.01 0.00 1.13 -1.59 -0.54 0.00 0.00 174.62 173.61 1xb3 s LYS 85 N -5.14 1.62 -0.02 3.99 -2.85 -1.26 -4.61 119.74 111.48 1xb3 s LYS 85 Ca 0.64 0.39 -0.30 0.00 -1.00 0.00 0.00 55.97 55.70 1xb3 s LYS 85 Cb -0.07 -1.89 -0.03 0.00 -2.06 0.00 0.00 37.83 33.79 1xb3 s LYS 85 CO 0.44 -1.88 0.99 -1.17 0.10 0.00 0.00 175.35 173.82 1xb3 s LEU 86 N -5.86 4.35 0.13 2.77 2.96 -1.26 -4.39 118.68 117.38 1xb3 s LEU 86 Ca 0.62 1.65 0.09 0.00 -0.22 0.00 0.00 54.13 56.27 1xb3 s LEU 86 Cb -0.14 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.94 1xb3 s LEU 86 CO 0.53 -0.30 -0.21 0.27 -1.32 0.00 0.00 176.35 175.32 1xb3 s ILE 87 N 1.20 1.90 0.38 6.68 -4.36 0.23 -4.90 121.20 122.33 1xb3 s ILE 87 Ca 0.52 -1.74 0.03 0.00 -0.26 0.00 0.00 60.65 59.20 1xb3 s ILE 87 Cb -0.21 -1.77 0.03 0.00 1.25 0.00 0.00 42.46 41.77 1xb3 s ILE 87 CO 0.26 -0.12 0.28 0.61 0.24 0.00 0.00 174.94 176.22 1xb3 n GLY 88 N 0.74 2.84 3.60 6.27 0.00 -1.26 -1.39 105.19 115.99 1xb3 n GLY 88 Ca -0.17 -2.26 -0.60 0.00 0.00 0.00 0.00 46.02 42.99 1xb3 n GLY 88 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1xb3 n SER 89 N -1.88 0.73 0.00 1.61 2.88 -0.51 -1.69 113.62 114.75 1xb3 n SER 89 Ca -0.02 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.68 1xb3 n SER 89 Cb 0.44 -0.96 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1xb3 n SER 89 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1xb3 n GLY 90 N 2.52 1.22 3.99 0.46 0.00 -0.47 -4.96 105.19 107.95 1xb3 n GLY 90 Ca 0.23 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.06 1xb3 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xb3 s GLU 91 N -0.07 2.92 0.09 1.61 2.02 -0.68 -4.96 118.70 119.62 1xb3 s GLU 91 Ca 0.00 -0.96 -0.12 0.00 0.02 0.00 0.00 54.97 53.91 1xb3 s GLU 91 Cb 0.00 -2.70 0.01 0.00 0.10 0.00 0.00 34.13 31.54 1xb3 s GLU 91 CO 0.00 -0.23 0.28 -1.59 0.02 0.00 0.00 175.26 173.74 1xb3 s LYS 92 N -4.39 0.89 0.04 1.61 -2.85 -1.26 -2.88 119.74 110.89 1xb3 s LYS 92 Ca 0.51 -0.76 -0.20 0.00 -1.00 0.00 0.00 55.97 54.52 1xb3 s LYS 92 Cb -0.10 0.38 0.04 0.00 -2.06 0.00 0.00 37.83 36.09 1xb3 s LYS 92 CO 0.34 -0.30 0.46 0.34 0.10 0.00 0.00 175.35 176.28 1xb3 s ASP 93 N -2.62 -0.35 0.11 0.03 2.15 -0.39 -5.02 116.67 110.59 1xb3 s ASP 93 Ca 0.02 0.10 0.07 0.00 0.43 0.00 0.00 52.55 53.17 1xb3 s ASP 93 Cb 0.02 0.45 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 1xb3 s ASP 93 CO -0.09 -0.67 -0.18 -0.44 -0.17 0.00 0.00 175.17 173.62 1xb3 s SER 94 N -1.92 2.31 0.01 -0.34 0.01 -1.26 -0.53 113.70 111.99 1xb3 s SER 94 Ca -0.06 -0.73 0.02 0.00 1.31 0.00 0.00 55.95 56.50 1xb3 s SER 94 Cb -0.01 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 66.10 1xb3 s SER 94 CO -0.01 -0.02 -0.07 0.54 0.41 0.00 0.00 173.24 174.08 1xb3 s VAL 95 N -1.52 0.57 -0.05 3.43 0.11 -0.35 -4.89 120.40 117.71 1xb3 s VAL 95 Ca 0.07 -0.54 0.04 0.00 -2.93 0.00 0.00 61.98 58.62 1xb3 s VAL 95 Cb -0.08 -0.53 -0.00 0.00 -1.53 0.00 0.00 36.38 34.24 1xb3 s VAL 95 CO 0.04 0.00 -0.17 -0.89 -3.33 0.00 0.00 175.10 170.75 1xb3 s THR 96 N -0.51 1.44 0.08 5.04 2.01 -1.26 -1.16 115.64 121.28 1xb3 s THR 96 Ca -0.01 -0.71 0.01 0.00 0.31 0.00 0.00 61.69 61.29 1xb3 s THR 96 Cb -0.05 -1.24 -0.04 0.00 0.01 0.00 0.00 72.50 71.18 1xb3 s THR 96 CO 0.00 0.42 -0.06 0.72 -0.69 0.00 0.00 174.62 175.01 1xb3 s PHE 97 N 0.13 0.78 -0.08 4.92 -0.12 -0.41 -4.95 117.98 118.26 1xb3 s PHE 97 Ca -0.06 -0.95 -0.30 0.00 -0.05 0.00 0.00 56.93 55.57 1xb3 s PHE 97 Cb -0.12 -0.48 -0.03 0.00 -0.63 0.00 0.00 43.02 41.76 1xb3 s PHE 97 CO 0.03 -0.21 1.16 -0.51 -0.05 0.00 0.00 175.22 175.64 1xb3 s ASP 98 N -2.99 7.08 0.53 1.98 1.01 -1.26 -0.95 116.67 122.07 1xb3 s ASP 98 Ca 0.10 1.73 0.29 0.00 0.71 0.00 0.00 52.55 55.39 1xb3 s ASP 98 Cb 0.06 -2.56 1.45 0.00 1.01 0.00 0.00 42.92 42.88 1xb3 s ASP 98 CO -0.06 -0.57 2.05 0.58 0.21 0.00 0.00 175.17 177.38 1xb3 h VAL 99 N 5.08 0.43 -0.06 -1.27 2.07 -1.30 -1.08 116.25 120.13 1xb3 h VAL 99 Ca -0.32 -0.57 0.02 0.00 0.82 0.00 0.00 66.70 66.64 1xb3 h VAL 99 Cb 1.15 1.40 -0.00 0.00 -1.52 0.00 0.00 31.29 32.32 1xb3 h VAL 99 CO 0.89 0.11 0.10 0.77 0.02 0.00 0.00 177.57 179.45 1xb3 h SER 100 N 0.00 0.00 0.54 0.57 4.64 -1.88 -0.77 113.55 116.64 1xb3 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xb3 h SER 100 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1xb3 h SER 100 CO 0.01 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.26 1xb3 n LYS 101 N -3.56 0.14 -3.54 4.77 5.02 -0.41 -4.69 118.16 115.89 1xb3 n LYS 101 Ca -0.01 0.43 -0.37 0.00 -2.02 0.00 0.00 58.31 56.34 1xb3 n LYS 101 Cb 0.19 -1.79 -0.08 0.00 -0.02 0.00 0.00 35.03 33.32 1xb3 n LYS 101 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1xb3 s LEU 102 N -4.12 4.18 -0.03 -0.35 1.43 -0.30 -5.07 118.68 114.42 1xb3 s LEU 102 Ca 0.03 0.38 -0.22 0.00 -1.03 0.00 0.00 54.13 53.29 1xb3 s LEU 102 Cb 0.08 -2.32 -0.05 0.00 0.03 0.00 0.00 46.19 43.94 1xb3 s LEU 102 CO 0.32 0.04 0.64 -0.75 0.23 0.00 0.00 176.35 176.83 1xb3 s LYS 103 N 0.88 4.38 0.34 1.70 2.20 -1.26 -4.99 119.74 122.98 1xb3 s LYS 103 Ca 0.14 0.80 0.14 0.00 -0.36 0.00 0.00 55.97 56.69 1xb3 s LYS 103 Cb -0.13 -3.38 0.59 0.00 -1.51 0.00 0.00 37.83 33.40 1xb3 s LYS 103 CO 0.05 0.25 1.73 0.78 -0.36 0.00 0.00 175.35 177.79 1xb3 h GLY 104 N 6.07 0.00 -1.33 5.54 0.00 -1.97 -2.56 103.07 108.82 1xb3 h GLY 104 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.90 1xb3 h GLY 104 CO 0.72 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.87 1xb3 n GLY 105 N -0.03 0.77 3.91 4.60 0.00 -1.26 -4.92 105.19 108.27 1xb3 n GLY 105 Ca -0.01 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.22 1xb3 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xb3 s GLU 106 N -1.65 3.58 -0.25 1.61 2.56 -0.97 -5.09 118.70 118.50 1xb3 s GLU 106 Ca 0.33 -0.18 -0.12 0.00 0.00 0.00 0.00 54.97 55.00 1xb3 s GLU 106 Cb 0.18 -2.79 -0.05 0.00 2.00 0.00 0.00 34.13 33.48 1xb3 s GLU 106 CO 0.26 0.37 0.24 -0.65 -0.56 0.00 0.00 175.26 174.91 1xb3 s GLN 107 N -3.21 4.05 0.13 4.30 -1.52 -1.26 -4.91 119.66 117.23 1xb3 s GLN 107 Ca 0.41 -0.16 0.07 0.00 -1.95 0.00 0.00 55.36 53.72 1xb3 s GLN 107 Cb -0.11 -3.58 -0.04 0.00 -0.22 0.00 0.00 33.01 29.06 1xb3 s GLN 107 CO 0.28 -0.05 -0.03 0.71 -0.25 0.00 0.00 175.29 175.94 1xb3 s TYR 108 N 1.39 2.85 0.03 0.91 2.02 -1.23 -0.66 117.35 122.66 1xb3 s TYR 108 Ca 0.10 -0.11 0.06 0.00 -0.37 0.00 0.00 57.07 56.75 1xb3 s TYR 108 Cb -0.15 -1.44 -0.02 0.00 -0.40 0.00 0.00 41.96 39.95 1xb3 s TYR 108 CO 0.07 0.48 -0.18 -1.64 -1.57 0.00 0.00 175.55 172.71 1xb3 s MET 109 N -2.53 1.23 0.15 -0.62 -1.94 -0.23 -1.75 119.30 113.61 1xb3 s MET 109 Ca 0.25 -0.82 0.07 0.00 -1.71 0.00 0.00 55.69 53.49 1xb3 s MET 109 Cb -0.11 -1.29 -0.04 0.00 2.01 0.00 0.00 34.83 35.41 1xb3 s MET 109 CO 0.17 0.33 -0.04 -0.59 -0.01 0.00 0.00 175.02 174.88 1xb3 s PHE 110 N -0.74 2.80 0.03 -0.03 -0.71 0.01 -1.97 117.98 117.37 1xb3 s PHE 110 Ca 0.05 -0.14 -0.28 0.00 -1.04 0.00 0.00 56.93 55.52 1xb3 s PHE 110 Cb -0.08 -1.40 0.09 0.00 -1.21 0.00 0.00 43.02 40.43 1xb3 s PHE 110 CO 0.01 0.49 0.94 -0.59 -1.34 0.00 0.00 175.22 174.73 1xb3 s PHE 111 N -1.54 -0.27 -0.10 3.49 -0.71 -0.47 -1.15 117.98 117.24 1xb3 s PHE 111 Ca 0.25 0.09 -0.13 0.00 -1.04 0.00 0.00 56.93 56.10 1xb3 s PHE 111 Cb -0.10 0.57 -0.05 0.00 -1.21 0.00 0.00 43.02 42.23 1xb3 s PHE 111 CO 0.17 -0.60 0.31 0.00 -1.34 0.00 0.00 175.22 173.75 1xb3 n THR 113 N 2.70 0.56 -1.73 0.00 -2.24 -1.26 -3.35 114.28 108.96 1xb3 n THR 113 Ca -0.14 -0.77 -0.42 0.00 -2.27 0.00 0.00 64.05 60.45 1xb3 n THR 113 Cb 0.53 0.89 -0.01 0.00 -2.10 0.00 0.00 70.33 69.64 1xb3 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1xb3 n PHE 114 N 1.48 2.65 -1.68 4.78 7.35 -1.26 -4.41 117.46 126.38 1xb3 n PHE 114 Ca 0.20 0.37 -0.54 0.00 -0.76 0.00 0.00 57.45 56.72 1xb3 n PHE 114 Cb 0.60 -2.53 -0.06 0.00 0.35 0.00 0.00 39.48 37.84 1xb3 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1xb3 n PRO 115 N 1.60 1.43 0.00 -7.13 -0.02 -1.26 -0.89 135.00 128.73 1xb3 n PRO 115 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.08 1xb3 n PRO 115 Cb 0.36 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.60 1xb3 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xb3 n GLY 116 N 3.81 2.67 0.22 -1.23 0.00 -1.26 -4.92 105.19 104.48 1xb3 n GLY 116 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1xb3 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xb3 h HIS 117 N 0.00 0.32 0.00 1.61 3.86 -1.28 -3.22 115.15 116.44 1xb3 h HIS 117 Ca 0.00 -0.07 0.00 0.00 -1.16 0.00 0.00 60.37 59.14 1xb3 h HIS 117 Cb 0.00 -0.08 0.00 0.00 1.06 0.00 0.00 27.41 28.39 1xb3 h HIS 117 CO 0.00 0.55 0.00 -1.13 0.86 0.00 0.00 177.93 178.21 1xb3 n SER 118 N -4.12 0.53 -0.19 2.45 3.41 -1.21 -0.77 113.62 113.71 1xb3 n SER 118 Ca -0.01 0.68 0.03 0.00 -0.26 0.00 0.00 58.87 59.31 1xb3 n SER 118 Cb 0.40 -0.77 0.29 0.00 -0.26 0.00 0.00 64.21 63.86 1xb3 n SER 118 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb3 h ALA 119 N 2.16 1.55 0.00 7.33 0.00 -1.91 -3.30 119.26 125.11 1xb3 h ALA 119 Ca 0.00 -0.04 -0.25 0.00 0.00 0.00 0.00 54.91 54.62 1xb3 h ALA 119 Cb 0.19 -0.26 -0.05 0.00 0.00 0.00 0.00 17.79 17.68 1xb3 h ALA 119 CO 0.00 0.38 -1.96 1.28 0.00 0.00 0.00 179.25 178.95 1xb3 n LEU 120 N -4.45 1.44 -4.38 0.00 4.77 -0.63 -4.84 117.00 108.92 1xb3 n LEU 120 Ca 0.09 -0.05 -0.45 0.00 -0.03 0.00 0.00 56.01 55.58 1xb3 n LEU 120 Cb 0.10 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.07 1xb3 n LEU 120 CO 0.35 0.56 1.03 0.23 -1.33 0.00 0.00 177.39 178.23 1xb3 n MET 121 N -2.75 3.50 -3.59 3.23 2.81 0.05 -4.77 117.12 115.60 1xb3 n MET 121 Ca -0.26 -4.23 -0.13 0.00 -1.81 0.00 0.00 57.70 51.27 1xb3 n MET 121 Cb 0.89 -2.73 -0.05 0.00 -0.71 0.00 0.00 33.22 30.61 1xb3 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1xb3 s LYS 122 N -0.26 1.05 0.15 0.03 0.00 -1.26 -2.13 119.74 117.32 1xb3 s LYS 122 Ca 0.35 -0.39 -0.24 0.00 0.00 0.00 0.00 55.97 55.70 1xb3 s LYS 122 Cb -0.07 0.47 0.08 0.00 0.00 0.00 0.00 37.83 38.31 1xb3 s LYS 122 CO -0.05 -0.39 1.05 0.20 0.00 0.00 0.00 175.35 176.16 1xb3 s GLY 123 N -2.25 -0.03 0.34 0.59 0.00 -0.30 -4.80 107.32 100.87 1xb3 s GLY 123 Ca -0.03 -0.12 -0.06 0.00 0.00 0.00 0.00 44.72 44.52 1xb3 s GLY 123 CO -0.05 1.76 0.62 -0.51 0.00 0.00 0.00 173.10 174.93 1xb3 s THR 124 N -2.47 4.96 -0.05 0.90 -4.23 -0.88 -0.81 115.64 113.05 1xb3 s THR 124 Ca 0.19 0.17 0.01 0.00 -1.18 0.00 0.00 61.69 60.88 1xb3 s THR 124 Cb -0.02 -3.75 0.02 0.00 1.34 0.00 0.00 72.50 70.09 1xb3 s THR 124 CO 0.03 -0.43 -0.07 -0.22 -0.54 0.00 0.00 174.62 173.39 1xb3 s LEU 125 N -3.77 1.44 -0.05 4.79 0.20 -0.72 -0.39 118.68 120.18 1xb3 s LEU 125 Ca 0.46 -0.19 0.00 0.00 0.69 0.00 0.00 54.13 55.09 1xb3 s LEU 125 Cb -0.10 -0.58 0.02 0.00 -0.43 0.00 0.00 46.19 45.10 1xb3 s LEU 125 CO 0.32 -0.02 -0.03 -0.89 -0.29 0.00 0.00 176.35 175.44 1xb3 s THR 126 N 0.83 0.47 -0.14 3.68 2.01 -0.41 -3.57 115.64 118.51 1xb3 s THR 126 Ca -0.12 -0.04 -0.26 0.00 0.31 0.00 0.00 61.69 61.58 1xb3 s THR 126 Cb -0.15 -0.54 -0.02 0.00 0.01 0.00 0.00 72.50 71.80 1xb3 s THR 126 CO 0.01 0.23 0.84 -0.22 -0.69 0.00 0.00 174.62 174.79 1xb3 s LEU 127 N 1.22 4.21 0.00 4.42 2.96 -1.26 -0.60 118.68 129.64 1xb3 s LEU 127 Ca -0.06 1.24 0.00 0.00 -0.22 0.00 0.00 54.13 55.08 1xb3 s LEU 127 Cb -0.14 -3.26 0.00 0.00 0.50 0.00 0.00 46.19 43.29 1xb3 s LEU 127 CO -0.02 -0.35 0.00 2.29 -1.32 0.00 0.00 176.35 176.95