#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xb6 s GLU 2 N 0.00 2.92 -0.25 0.00 2.02 -1.26 -4.95 118.70 117.18 1xb6 s GLU 2 Ca 0.00 -1.46 0.12 0.00 0.02 0.00 0.00 54.97 53.65 1xb6 s GLU 2 Cb 0.00 -4.13 0.57 0.00 0.10 0.00 0.00 34.13 30.67 1xb6 s GLU 2 CO 0.00 -1.10 1.52 0.00 0.02 0.00 0.00 175.26 175.71 1xb6 s SER 4 N -1.96 -0.21 -0.06 0.00 1.04 -1.26 -1.59 113.70 109.66 1xb6 s SER 4 Ca 0.46 -0.38 -0.08 0.00 0.48 0.00 0.00 55.95 56.43 1xb6 s SER 4 Cb 0.39 0.48 0.02 0.00 0.10 0.00 0.00 66.02 67.00 1xb6 s SER 4 CO 0.07 -0.88 0.20 0.54 0.98 0.00 0.00 173.24 174.15 1xb6 s VAL 5 N -3.82 0.02 -0.18 5.02 0.11 -0.30 -4.95 120.40 116.30 1xb6 s VAL 5 Ca 0.05 -0.19 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1xb6 s VAL 5 Cb 0.02 -0.35 -0.04 0.00 -1.53 0.00 0.00 36.38 34.47 1xb6 s VAL 5 CO -0.10 -0.11 0.05 -1.81 -3.33 0.00 0.00 175.10 169.80 1xb6 s ASP 6 N -0.33 5.54 0.03 3.54 1.01 -1.26 -0.82 116.67 124.38 1xb6 s ASP 6 Ca -0.04 0.06 0.04 0.00 0.71 0.00 0.00 52.55 53.32 1xb6 s ASP 6 Cb -0.03 -1.94 -0.02 0.00 1.01 0.00 0.00 42.92 41.93 1xb6 s ASP 6 CO 0.01 0.17 -0.13 -0.51 0.21 0.00 0.00 175.17 174.92 1xb6 s ILE 7 N 0.37 1.03 0.03 0.77 2.07 0.12 -4.96 121.20 120.62 1xb6 s ILE 7 Ca 0.02 -0.91 0.08 0.00 -1.41 0.00 0.00 60.65 58.44 1xb6 s ILE 7 Cb -0.13 -0.93 -0.03 0.00 0.13 0.00 0.00 42.46 41.51 1xb6 s ILE 7 CO 0.00 0.02 -0.24 -1.10 -1.91 0.00 0.00 174.94 171.72 1xb6 s GLN 8 N -1.00 1.94 -0.10 3.50 -0.21 -1.26 -1.43 119.66 121.09 1xb6 s GLN 8 Ca 0.01 -1.04 0.04 0.00 0.02 0.00 0.00 55.36 54.39 1xb6 s GLN 8 Cb -0.07 -2.05 0.00 0.00 1.00 0.00 0.00 33.01 31.88 1xb6 s GLN 8 CO 0.01 0.53 -0.24 0.20 -2.12 0.00 0.00 175.29 173.67 1xb6 s GLY 9 N -1.17 1.32 0.01 3.09 0.00 -0.47 -1.92 107.32 108.18 1xb6 s GLY 9 Ca 0.12 -0.96 0.00 0.00 0.00 0.00 0.00 44.72 43.88 1xb6 s GLY 9 CO 0.02 -0.29 0.01 1.16 0.00 0.00 0.00 173.10 174.00 1xb6 n ASN 10 N 3.57 1.22 0.00 1.64 0.23 -0.51 -3.70 115.26 117.71 1xb6 n ASN 10 Ca -0.19 -1.04 0.15 0.00 -0.53 0.00 0.00 54.58 52.97 1xb6 n ASN 10 Cb 0.53 0.00 0.91 0.00 -2.08 0.00 0.00 39.78 39.14 1xb6 n ASN 10 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1xb6 n ASP 11 N -1.82 0.00 -0.27 0.53 8.00 -1.26 -3.36 116.55 118.38 1xb6 n ASP 11 Ca -0.00 -1.00 0.09 0.00 0.71 0.00 0.00 54.79 54.59 1xb6 n ASP 11 Cb 0.01 0.00 0.17 0.00 -0.02 0.00 0.00 41.12 41.28 1xb6 n ASP 11 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xb6 n GLN 12 N -0.99 1.62 -3.27 -1.24 3.00 -1.26 -4.99 117.38 110.26 1xb6 n GLN 12 Ca 0.23 -2.67 -0.17 0.00 -0.01 0.00 0.00 57.00 54.38 1xb6 n GLN 12 Cb 0.11 -1.58 0.06 0.00 0.00 0.00 0.00 30.24 28.83 1xb6 n GLN 12 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.06 176.94 1xb6 n MET 13 N -1.24 -5.73 -4.80 -1.09 1.56 -1.21 -5.01 117.12 99.59 1xb6 n MET 13 Ca 0.17 0.61 -0.25 0.00 -0.27 0.00 0.00 57.70 57.96 1xb6 n MET 13 Cb 0.70 -4.99 -0.16 0.00 2.15 0.00 0.00 33.22 30.92 1xb6 n MET 13 CO 0.00 0.00 0.00 -0.65 -0.73 0.00 0.00 175.97 174.59 1xb6 s GLN 14 N -5.82 1.65 0.37 2.12 -0.21 -1.26 -4.35 119.66 112.17 1xb6 s GLN 14 Ca 0.36 -0.58 -0.09 0.00 0.02 0.00 0.00 55.36 55.07 1xb6 s GLN 14 Cb -0.16 -1.46 -0.06 0.00 1.00 0.00 0.00 33.01 32.32 1xb6 s GLN 14 CO 0.54 0.25 0.72 -0.06 -2.12 0.00 0.00 175.29 174.62 1xb6 s PHE 15 N -0.02 3.47 -1.13 0.91 0.08 -1.26 -1.42 117.98 118.60 1xb6 s PHE 15 Ca -0.02 0.96 0.14 0.00 0.12 0.00 0.00 56.93 58.13 1xb6 s PHE 15 Cb -0.10 -2.37 0.60 0.00 -0.57 0.00 0.00 43.02 40.57 1xb6 s PHE 15 CO 0.02 -0.03 1.47 0.27 -0.10 0.00 0.00 175.22 176.85 1xb6 n ASN 16 N -1.16 4.06 -3.78 1.36 6.94 -0.81 -4.78 115.26 117.09 1xb6 n ASN 16 Ca 0.02 -2.41 -0.13 0.00 -0.02 0.00 0.00 54.58 52.04 1xb6 n ASN 16 Cb 0.54 -0.53 -0.09 0.00 -2.36 0.00 0.00 39.78 37.33 1xb6 n ASN 16 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1xb6 s THR 17 N -1.86 0.05 -1.56 5.53 -1.32 -1.26 -4.97 115.64 110.25 1xb6 s THR 17 Ca 0.42 -0.42 0.14 0.00 -1.21 0.00 0.00 61.69 60.61 1xb6 s THR 17 Cb 0.28 -0.55 0.18 0.00 -1.51 0.00 0.00 72.50 70.90 1xb6 s THR 17 CO 0.19 -0.23 1.04 0.59 -2.21 0.00 0.00 174.62 174.00 1xb6 n ASN 18 N 1.62 2.42 -3.60 8.08 3.02 -1.26 -4.85 115.26 120.69 1xb6 n ASN 18 Ca -0.20 -1.69 -0.03 0.00 -0.03 0.00 0.00 54.58 52.62 1xb6 n ASN 18 Cb 0.56 -0.08 -0.06 0.00 -0.61 0.00 0.00 39.78 39.60 1xb6 n ASN 18 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1xb6 s ALA 19 N -1.10 -1.72 -0.06 5.41 0.00 -1.26 -1.45 121.76 121.58 1xb6 s ALA 19 Ca 0.19 1.96 0.02 0.00 0.00 0.00 0.00 51.96 54.13 1xb6 s ALA 19 Cb 0.12 -1.65 -0.03 0.00 0.00 0.00 0.00 23.12 21.56 1xb6 s ALA 19 CO 0.18 -0.92 -0.10 0.42 0.00 0.00 0.00 175.76 175.33 1xb6 s ILE 20 N 2.78 3.39 -0.16 0.00 1.01 0.46 -4.97 121.20 123.72 1xb6 s ILE 20 Ca -0.01 -0.61 -0.00 0.00 0.00 0.00 0.00 60.65 60.02 1xb6 s ILE 20 Cb -0.12 -2.36 -0.00 0.00 0.01 0.00 0.00 42.46 39.98 1xb6 s ILE 20 CO -0.17 0.59 -0.14 -0.89 0.00 0.00 0.00 174.94 174.33 1xb6 s THR 21 N -0.78 2.82 -0.37 2.92 2.01 -1.26 -1.16 115.64 119.81 1xb6 s THR 21 Ca 0.12 -0.72 -0.04 0.00 0.31 0.00 0.00 61.69 61.36 1xb6 s THR 21 Cb -0.11 -2.20 0.08 0.00 0.01 0.00 0.00 72.50 70.28 1xb6 s THR 21 CO 0.01 0.51 0.15 -0.69 -0.69 0.00 0.00 174.62 173.91 1xb6 s VAL 22 N 0.79 3.48 -0.08 3.82 1.01 0.91 -4.94 120.40 125.38 1xb6 s VAL 22 Ca -0.05 -1.60 -0.35 0.00 0.00 0.00 0.00 61.98 59.98 1xb6 s VAL 22 Cb -0.15 -3.17 -0.13 0.00 0.00 0.00 0.00 36.38 32.94 1xb6 s VAL 22 CO 0.01 -0.42 1.82 -0.67 0.00 0.00 0.00 175.10 175.84 1xb6 n ASP 23 N 4.70 3.24 0.00 3.32 -0.08 -1.26 -1.06 116.55 125.41 1xb6 n ASP 23 Ca -0.08 1.00 0.11 0.00 -1.51 0.00 0.00 54.79 54.31 1xb6 n ASP 23 Cb 0.43 -1.34 0.54 0.00 2.34 0.00 0.00 41.12 43.08 1xb6 n ASP 23 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1xb6 n ARG 24 N 6.04 0.16 0.09 -0.67 1.85 0.03 -1.36 116.66 122.80 1xb6 n ARG 24 Ca 0.22 0.09 0.13 0.00 -1.00 0.00 0.00 57.85 57.29 1xb6 n ARG 24 Cb 0.27 -1.50 0.45 0.00 -1.05 0.00 0.00 32.46 30.63 1xb6 n ARG 24 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1xb6 n SER 25 N -1.40 0.66 -4.71 2.89 3.41 -1.26 -4.79 113.62 108.43 1xb6 n SER 25 Ca 0.08 0.58 -0.42 0.00 -0.26 0.00 0.00 58.87 58.86 1xb6 n SER 25 Cb 0.23 -0.75 -0.03 0.00 -0.26 0.00 0.00 64.21 63.40 1xb6 n SER 25 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1xb6 h LYS 27 N 7.12 0.65 -5.33 0.00 3.64 -1.88 -3.42 116.57 117.35 1xb6 h LYS 27 Ca -0.42 -0.45 -0.40 0.00 -1.27 0.00 0.00 60.65 58.11 1xb6 h LYS 27 Cb 1.20 0.07 -0.18 0.00 -0.41 0.00 0.00 32.23 32.91 1xb6 h LYS 27 CO 0.88 1.07 -0.75 -0.65 -2.27 0.00 0.00 179.45 177.74 1xb6 s GLN 28 N -3.94 1.00 -0.01 1.90 -0.21 -1.26 -1.56 119.66 115.57 1xb6 s GLN 28 Ca -0.12 -1.24 0.05 0.00 0.02 0.00 0.00 55.36 54.07 1xb6 s GLN 28 Cb 0.07 -0.83 -0.01 0.00 1.00 0.00 0.00 33.01 33.24 1xb6 s GLN 28 CO 0.85 0.15 -0.17 0.12 -2.12 0.00 0.00 175.29 174.12 1xb6 s PHE 29 N -2.25 1.50 -0.06 0.91 5.36 -0.27 -4.84 117.98 118.33 1xb6 s PHE 29 Ca 0.09 -0.29 0.05 0.00 -0.96 0.00 0.00 56.93 55.82 1xb6 s PHE 29 Cb -0.04 -0.97 -0.01 0.00 -0.34 0.00 0.00 43.02 41.66 1xb6 s PHE 29 CO 0.02 -0.04 -0.24 0.99 -1.46 0.00 0.00 175.22 174.50 1xb6 s THR 30 N -0.36 1.97 -0.21 0.12 2.01 -0.62 -1.02 115.64 117.53 1xb6 s THR 30 Ca 0.06 -1.01 -0.02 0.00 0.31 0.00 0.00 61.69 61.03 1xb6 s THR 30 Cb -0.07 -1.68 0.00 0.00 0.01 0.00 0.00 72.50 70.77 1xb6 s THR 30 CO -0.00 0.55 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.69 1xb6 s VAL 31 N -0.03 2.92 -0.42 3.82 1.01 0.02 -1.15 120.40 126.57 1xb6 s VAL 31 Ca -0.07 -0.65 -0.14 0.00 0.00 0.00 0.00 61.98 61.13 1xb6 s VAL 31 Cb -0.14 -2.30 0.04 0.00 0.00 0.00 0.00 36.38 33.97 1xb6 s VAL 31 CO 0.05 0.46 0.30 0.20 0.00 0.00 0.00 175.10 176.11 1xb6 s ASN 32 N 1.40 6.00 -0.16 3.32 0.01 0.00 -1.19 114.94 124.32 1xb6 s ASN 32 Ca 0.05 -1.07 -0.08 0.00 -0.71 0.00 0.00 52.86 51.06 1xb6 s ASN 32 Cb -0.14 -2.12 -0.04 0.00 0.41 0.00 0.00 41.25 39.36 1xb6 s ASN 32 CO -0.06 -0.49 0.11 -0.22 -1.51 0.00 0.00 177.10 174.93 1xb6 s LEU 33 N 1.62 4.16 0.28 0.60 2.96 0.36 -0.70 118.68 127.96 1xb6 s LEU 33 Ca 0.04 0.29 0.02 0.00 -0.22 0.00 0.00 54.13 54.26 1xb6 s LEU 33 Cb -0.21 -2.04 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 1xb6 s LEU 33 CO 0.08 0.29 0.08 -0.94 -1.32 0.00 0.00 176.35 174.53 1xb6 s SER 34 N -0.30 1.57 -0.42 3.68 1.04 -0.51 -1.34 113.70 117.42 1xb6 s SER 34 Ca 0.10 -1.37 0.02 0.00 0.48 0.00 0.00 55.95 55.18 1xb6 s SER 34 Cb -0.12 0.08 0.15 0.00 0.10 0.00 0.00 66.02 66.23 1xb6 s SER 34 CO 0.01 -0.68 0.27 -2.28 0.98 0.00 0.00 173.24 171.54 1xb6 s HIS 35 N -3.60 1.40 0.89 5.02 2.46 -1.18 -1.36 115.29 118.92 1xb6 s HIS 35 Ca 0.37 -2.16 -0.11 0.00 0.47 0.00 0.00 55.06 53.63 1xb6 s HIS 35 Cb 0.08 -1.34 0.13 0.00 -0.13 0.00 0.00 32.58 31.32 1xb6 s HIS 35 CO 0.14 -0.79 1.16 -2.14 -2.47 0.00 0.00 174.74 170.63 1xb6 s PRO 36 N 0.43 1.17 0.00 2.88 0.02 -1.24 -1.26 135.00 137.00 1xb6 s PRO 36 Ca 0.22 1.58 0.00 0.00 0.02 0.00 0.00 61.00 62.81 1xb6 s PRO 36 Cb -0.16 -1.74 0.00 0.00 0.02 0.00 0.00 34.50 32.62 1xb6 s PRO 36 CO -0.05 -2.52 0.00 0.41 -0.33 0.00 0.00 177.00 174.50 1xb6 n GLY 37 N 0.21 -0.82 0.00 0.52 0.00 -1.26 -4.02 105.19 99.82 1xb6 n GLY 37 Ca 0.12 -2.19 0.00 0.00 0.00 0.00 0.00 46.02 43.95 1xb6 n GLY 37 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1xb6 n ASN 38 N 0.00 0.31 -4.75 1.61 6.94 -1.26 -4.41 115.26 113.71 1xb6 n ASN 38 Ca 0.00 -0.95 -0.40 0.00 -0.02 0.00 0.00 54.58 53.21 1xb6 n ASN 38 Cb 0.00 0.02 -0.05 0.00 -2.36 0.00 0.00 39.78 37.39 1xb6 n ASN 38 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1xb6 s LEU 39 N -0.04 4.56 0.83 -4.53 1.43 -1.26 -4.86 118.68 114.81 1xb6 s LEU 39 Ca 0.00 1.77 -0.12 0.00 -1.03 0.00 0.00 54.13 54.76 1xb6 s LEU 39 Cb 0.00 -3.50 0.09 0.00 0.03 0.00 0.00 46.19 42.81 1xb6 s LEU 39 CO 0.00 0.06 1.10 -2.16 0.23 0.00 0.00 176.35 175.58 1xb6 s PRO 40 N -0.58 1.80 0.48 1.29 0.04 -1.26 -1.96 135.00 134.81 1xb6 s PRO 40 Ca 0.42 0.63 0.14 0.00 0.04 0.00 0.00 61.00 62.24 1xb6 s PRO 40 Cb -0.24 -1.89 1.16 0.00 0.04 0.00 0.00 34.50 33.57 1xb6 s PRO 40 CO 0.29 -1.82 2.09 -0.22 0.04 0.00 0.00 177.00 177.39 1xb6 h LYS 41 N -1.23 0.18 0.00 4.56 3.64 -1.86 -0.97 116.57 120.89 1xb6 h LYS 41 Ca -0.48 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 58.89 1xb6 h LYS 41 Cb 1.28 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 33.06 1xb6 h LYS 41 CO 0.59 0.12 0.00 -2.95 -2.27 0.00 0.00 179.45 174.93 1xb6 h ASN 42 N 0.18 0.00 0.00 4.20 -1.07 -1.95 -1.34 115.58 115.61 1xb6 h ASN 42 Ca 0.09 0.00 -0.03 0.00 0.07 0.00 0.00 56.30 56.44 1xb6 h ASN 42 Cb 0.14 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.39 1xb6 h ASN 42 CO -0.02 0.00 -1.19 1.33 0.07 0.00 0.00 177.43 177.62 1xb6 n VAL 43 N -2.35 0.09 -2.63 6.14 0.24 -0.93 -4.82 118.33 114.08 1xb6 n VAL 43 Ca 0.04 -0.11 0.00 0.00 -2.04 0.00 0.00 64.34 62.24 1xb6 n VAL 43 Cb 0.37 -0.13 0.04 0.00 -1.47 0.00 0.00 33.84 32.65 1xb6 n VAL 43 CO 0.00 0.00 0.00 0.80 -2.14 0.00 0.00 176.83 175.49 1xb6 n MET 44 N -1.83 0.95 -2.00 7.34 0.00 -0.41 -5.02 117.12 116.14 1xb6 n MET 44 Ca -0.03 -2.48 -0.38 0.00 -0.00 0.00 0.00 57.70 54.82 1xb6 n MET 44 Cb 0.31 -0.61 0.02 0.00 0.00 0.00 0.00 33.22 32.93 1xb6 n MET 44 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 175.97 176.17 1xb6 s GLY 45 N -2.60 2.84 -0.00 -5.12 0.00 -0.51 -4.78 107.32 97.15 1xb6 s GLY 45 Ca 0.24 1.15 0.03 0.00 0.00 0.00 0.00 44.72 46.15 1xb6 s GLY 45 CO -0.09 1.65 -0.11 0.30 0.00 0.00 0.00 173.10 174.85 1xb6 s HIS 46 N -1.41 0.94 0.40 1.90 3.76 -0.27 -4.66 115.29 115.94 1xb6 s HIS 46 Ca 0.68 -0.19 0.04 0.00 -0.15 0.00 0.00 55.06 55.44 1xb6 s HIS 46 Cb -0.35 -0.60 -0.06 0.00 1.11 0.00 0.00 32.58 32.68 1xb6 s HIS 46 CO 0.42 -0.01 0.04 0.54 -0.85 0.00 0.00 174.74 174.88 1xb6 s ASN 47 N -0.33 3.26 -0.20 1.40 2.20 -1.26 -0.10 114.94 119.91 1xb6 s ASN 47 Ca 0.04 -1.46 0.01 0.00 -0.94 0.00 0.00 52.86 50.50 1xb6 s ASN 47 Cb -0.04 -0.01 0.04 0.00 -2.00 0.00 0.00 41.25 39.23 1xb6 s ASN 47 CO -0.00 -0.64 -0.11 0.86 -2.94 0.00 0.00 177.10 174.27 1xb6 s TRP 48 N -3.01 2.46 -0.04 1.54 -0.00 -1.26 -4.05 118.94 114.57 1xb6 s TRP 48 Ca 0.29 -1.61 0.05 0.00 -0.00 0.00 0.00 56.10 54.83 1xb6 s TRP 48 Cb 0.07 -1.66 -0.01 0.00 -0.00 0.00 0.00 33.47 31.87 1xb6 s TRP 48 CO 0.14 -0.75 -0.20 0.08 -0.00 0.00 0.00 176.95 176.22 1xb6 s VAL 49 N 1.38 1.61 -0.10 5.86 1.01 0.12 -0.95 120.40 129.33 1xb6 s VAL 49 Ca -0.01 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.16 1xb6 s VAL 49 Cb -0.16 -1.37 -0.01 0.00 0.00 0.00 0.00 36.38 34.84 1xb6 s VAL 49 CO -0.08 0.46 -0.20 -0.22 0.00 0.00 0.00 175.10 175.06 1xb6 s LEU 50 N -0.15 2.35 0.33 3.92 2.96 -0.27 -0.97 118.68 126.86 1xb6 s LEU 50 Ca -0.00 -0.45 -0.06 0.00 -0.22 0.00 0.00 54.13 53.40 1xb6 s LEU 50 Cb -0.11 -1.49 0.01 0.00 0.50 0.00 0.00 46.19 45.10 1xb6 s LEU 50 CO 0.02 0.19 0.52 -0.94 -1.32 0.00 0.00 176.35 174.81 1xb6 s SER 51 N 0.20 0.62 0.68 3.68 1.04 -0.86 -0.98 113.70 118.09 1xb6 s SER 51 Ca -0.12 -1.35 -0.16 0.00 0.48 0.00 0.00 55.95 54.79 1xb6 s SER 51 Cb -0.16 0.68 0.01 0.00 0.10 0.00 0.00 66.02 66.65 1xb6 s SER 51 CO 0.07 -1.33 1.21 0.42 0.98 0.00 0.00 173.24 174.58 1xb6 s THR 52 N -3.09 2.43 0.27 2.02 -4.23 -1.26 -1.19 115.64 110.60 1xb6 s THR 52 Ca 0.27 0.23 -0.01 0.00 -1.18 0.00 0.00 61.69 61.01 1xb6 s THR 52 Cb -0.01 -2.90 0.28 0.00 1.34 0.00 0.00 72.50 71.21 1xb6 s THR 52 CO 0.17 -0.09 1.86 0.00 -0.54 0.00 0.00 174.62 176.02 1xb6 h ALA 53 N 0.14 1.45 -0.11 3.99 0.00 -1.08 -2.24 119.26 121.42 1xb6 h ALA 53 Ca -0.49 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.40 1xb6 h ALA 53 Cb 1.30 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.82 1xb6 h ALA 53 CO 0.52 0.34 -0.01 0.00 0.00 0.00 0.00 179.25 180.10 1xb6 h ALA 54 N 1.49 1.78 0.00 0.00 0.00 -1.91 -2.81 119.26 117.82 1xb6 h ALA 54 Ca 0.46 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.29 1xb6 h ALA 54 Cb 0.32 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.05 1xb6 h ALA 54 CO -0.22 0.17 -0.57 -0.25 0.00 0.00 0.00 179.25 178.38 1xb6 n ASP 55 N -4.43 0.56 -0.12 0.00 8.00 -0.86 -4.41 116.55 115.28 1xb6 n ASP 55 Ca -0.01 -0.13 -0.05 0.00 0.71 0.00 0.00 54.79 55.30 1xb6 n ASP 55 Cb 0.15 0.26 0.03 0.00 -0.02 0.00 0.00 41.12 41.54 1xb6 n ASP 55 CO 0.00 0.00 0.00 -0.03 -0.39 0.00 0.00 177.20 176.78 1xb6 h MET 56 N 0.00 0.26 -0.79 -1.24 1.85 -1.24 -1.67 114.93 112.10 1xb6 h MET 56 Ca 0.00 -0.02 -0.00 0.00 -0.61 0.00 0.00 59.70 59.07 1xb6 h MET 56 Cb 0.59 -0.06 -0.04 0.00 0.43 0.00 0.00 31.60 32.52 1xb6 h MET 56 CO 0.00 0.18 0.48 0.37 -0.40 0.00 0.00 176.91 177.54 1xb6 h GLN 57 N 0.27 1.06 -0.31 0.39 4.15 -1.80 -0.56 115.11 118.32 1xb6 h GLN 57 Ca 0.19 -0.09 -0.03 0.00 0.77 0.00 0.00 58.65 59.49 1xb6 h GLN 57 Cb 0.19 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1xb6 h GLN 57 CO -0.21 0.74 0.08 0.78 -1.93 0.00 0.00 178.83 178.30 1xb6 h GLY 58 N 1.08 0.53 0.90 2.39 0.00 -1.75 -1.01 103.07 105.21 1xb6 h GLY 58 Ca 0.28 -0.33 0.03 0.00 0.00 0.00 0.00 47.33 47.31 1xb6 h GLY 58 CO -0.05 0.31 0.55 -2.08 0.00 0.00 0.00 176.54 175.26 1xb6 h VAL 59 N 0.34 1.15 -0.15 4.60 2.07 -0.89 0.51 116.25 123.88 1xb6 h VAL 59 Ca 0.10 -0.37 -0.06 0.00 0.82 0.00 0.00 66.70 67.19 1xb6 h VAL 59 Cb 0.28 -0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.03 1xb6 h VAL 59 CO 0.00 0.20 -0.14 0.58 0.02 0.00 0.00 177.57 178.23 1xb6 h VAL 60 N 1.08 1.34 0.03 2.57 2.07 -0.94 0.87 116.25 123.26 1xb6 h VAL 60 Ca 0.33 -1.28 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1xb6 h VAL 60 Cb -0.02 1.84 0.00 0.00 -1.52 0.00 0.00 31.29 31.59 1xb6 h VAL 60 CO -0.11 0.38 -0.01 0.74 0.02 0.00 0.00 177.57 178.59 1xb6 h THR 61 N 0.00 1.07 -0.29 2.57 2.02 -1.01 -0.46 112.91 116.81 1xb6 h THR 61 Ca 0.03 -0.30 -0.07 0.00 0.77 0.00 0.00 66.41 66.84 1xb6 h THR 61 Cb 0.66 1.27 -0.02 0.00 -1.74 0.00 0.00 68.15 68.32 1xb6 h THR 61 CO 0.03 0.08 -0.11 0.44 0.37 0.00 0.00 175.52 176.33 1xb6 h ASP 62 N -0.17 0.46 -0.68 4.18 3.32 -0.92 -2.31 116.42 120.31 1xb6 h ASP 62 Ca -0.00 -0.12 -0.05 0.00 0.02 0.00 0.00 57.03 56.88 1xb6 h ASP 62 Cb 0.16 -0.12 -0.03 0.00 0.22 0.00 0.00 39.33 39.55 1xb6 h ASP 62 CO 0.01 0.62 0.23 1.23 -1.72 0.00 0.00 179.24 179.60 1xb6 h GLY 63 N 0.91 1.13 0.58 2.75 0.00 -0.63 -1.91 103.07 105.90 1xb6 h GLY 63 Ca 0.08 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 46.81 1xb6 h GLY 63 CO 0.03 0.61 -0.07 1.98 0.00 0.00 0.00 176.54 179.09 1xb6 h MET 64 N 0.99 -0.03 0.00 4.80 1.85 -0.70 -2.54 114.93 119.30 1xb6 h MET 64 Ca 0.22 0.00 -0.01 0.00 -0.61 0.00 0.00 59.70 59.30 1xb6 h MET 64 Cb 0.27 0.01 -0.00 0.00 0.43 0.00 0.00 31.60 32.31 1xb6 h MET 64 CO -0.01 -0.02 -0.07 0.00 -0.40 0.00 0.00 176.91 176.41 1xb6 h ALA 65 N 1.15 1.42 0.00 0.39 0.00 -1.03 -2.88 119.26 118.31 1xb6 h ALA 65 Ca 0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 54.91 54.76 1xb6 h ALA 65 Cb 0.18 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 1xb6 h ALA 65 CO -0.21 0.08 -0.85 0.77 0.00 0.00 0.00 179.25 179.04 1xb6 h SER 66 N 0.00 0.11 -4.57 0.00 0.02 -0.92 -3.50 113.55 104.69 1xb6 h SER 66 Ca -0.00 -0.09 0.00 0.00 -0.84 0.00 0.00 61.79 60.86 1xb6 h SER 66 Cb 0.18 -0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.68 1xb6 h SER 66 CO 0.01 0.91 0.00 0.61 -1.14 0.00 0.00 176.83 177.22 1xb6 n GLY 67 N 0.87 -0.01 0.33 -3.77 0.00 -1.09 -4.33 105.19 97.18 1xb6 n GLY 67 Ca -0.02 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.25 1xb6 n GLY 67 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1xb6 h LEU 68 N 0.00 0.70 -1.98 0.99 5.85 -1.90 -0.68 115.31 118.29 1xb6 h LEU 68 Ca 0.00 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.68 1xb6 h LEU 68 Cb 0.00 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.85 1xb6 h LEU 68 CO 0.00 0.54 0.00 0.44 -0.34 0.00 0.00 178.44 179.08 1xb6 h ASP 69 N 0.81 0.00 -0.41 1.25 3.32 -2.01 -1.19 116.42 118.19 1xb6 h ASP 69 Ca 0.21 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1xb6 h ASP 69 Cb -0.03 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.52 1xb6 h ASP 69 CO -0.04 0.00 0.00 0.29 -1.72 0.00 0.00 179.24 177.77 1xb6 n LYS 70 N -2.92 3.55 -2.27 3.56 5.02 -0.83 -4.94 118.16 119.33 1xb6 n LYS 70 Ca -0.01 -2.84 -0.17 0.00 -2.02 0.00 0.00 58.31 53.27 1xb6 n LYS 70 Cb 0.18 -1.89 -0.02 0.00 -0.02 0.00 0.00 35.03 33.28 1xb6 n LYS 70 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 1xb6 n ASP 71 N 0.16 -4.91 -3.84 4.39 9.92 -0.45 -2.26 116.55 119.56 1xb6 n ASP 71 Ca 0.23 0.13 -0.27 0.00 -0.53 0.00 0.00 54.79 54.35 1xb6 n ASP 71 Cb 0.91 -4.17 0.03 0.00 -0.64 0.00 0.00 41.12 37.25 1xb6 n ASP 71 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1xb6 n TYR 72 N -3.47 -2.19 -4.18 1.24 4.01 -0.32 -4.73 117.16 107.51 1xb6 n TYR 72 Ca -0.20 0.89 -0.17 0.00 -0.16 0.00 0.00 57.90 58.26 1xb6 n TYR 72 Cb 0.64 -4.13 -0.15 0.00 -0.31 0.00 0.00 39.34 35.39 1xb6 n TYR 72 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 1xb6 s LEU 73 N -7.10 1.84 0.08 7.72 1.43 -0.96 -4.31 118.68 117.39 1xb6 s LEU 73 Ca 0.45 -0.11 -0.31 0.00 -1.03 0.00 0.00 54.13 53.13 1xb6 s LEU 73 Cb -0.22 -0.33 -0.09 0.00 0.03 0.00 0.00 46.19 45.57 1xb6 s LEU 73 CO 0.82 0.04 1.78 -0.75 0.23 0.00 0.00 176.35 178.48 1xb6 s LYS 74 N 0.12 4.16 0.20 1.70 2.20 -1.26 -4.85 119.74 122.00 1xb6 s LYS 74 Ca -0.01 2.49 -0.33 0.00 -0.36 0.00 0.00 55.97 57.76 1xb6 s LYS 74 Cb -0.05 -3.70 -0.14 0.00 -1.51 0.00 0.00 37.83 32.43 1xb6 s LYS 74 CO -0.00 -0.82 1.40 -2.30 -0.36 0.00 0.00 175.35 173.26 1xb6 n PRO 75 N 6.00 1.84 -2.13 4.03 -0.02 -1.26 -2.01 135.00 141.44 1xb6 n PRO 75 Ca 0.17 0.66 -0.19 0.00 -2.02 0.00 0.00 63.50 62.12 1xb6 n PRO 75 Cb 0.40 -2.31 -0.03 0.00 -0.02 0.00 0.00 33.50 31.53 1xb6 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1xb6 n ASP 76 N 2.44 -5.49 -4.61 2.55 8.00 -1.26 -4.87 116.55 113.31 1xb6 n ASP 76 Ca 0.14 0.12 -0.44 0.00 0.71 0.00 0.00 54.79 55.32 1xb6 n ASP 76 Cb 0.29 -4.57 -0.04 0.00 -0.02 0.00 0.00 41.12 36.78 1xb6 n ASP 76 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1xb6 n ASP 77 N -1.52 3.44 0.25 -2.24 -0.08 -0.85 -4.82 116.55 110.72 1xb6 n ASP 77 Ca -0.22 0.53 0.17 0.00 -1.51 0.00 0.00 54.79 53.76 1xb6 n ASP 77 Cb 0.66 -1.49 0.84 0.00 2.34 0.00 0.00 41.12 43.47 1xb6 n ASP 77 CO 0.00 0.00 0.00 0.77 0.12 0.00 0.00 177.20 178.09 1xb6 h SER 78 N 12.75 0.00 1.20 1.67 4.64 -1.91 -2.36 113.55 129.53 1xb6 h SER 78 Ca -0.43 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.89 1xb6 h SER 78 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 1xb6 h SER 78 CO 0.96 0.00 -0.36 0.03 -0.87 0.00 0.00 176.83 176.59 1xb6 h ARG 79 N 0.00 0.00 -5.93 4.77 3.08 -1.97 -3.43 114.38 110.89 1xb6 h ARG 79 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1xb6 h ARG 79 Cb 0.13 0.00 -0.12 0.00 0.08 0.00 0.00 29.97 30.06 1xb6 h ARG 79 CO 0.00 0.00 0.45 0.08 -1.07 0.00 0.00 179.97 179.43 1xb6 s VAL 80 N -3.16 4.59 0.12 2.04 1.01 -0.89 -4.44 120.40 119.67 1xb6 s VAL 80 Ca 0.08 0.62 -0.11 0.00 0.00 0.00 0.00 61.98 62.57 1xb6 s VAL 80 Cb 0.12 -4.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.03 1xb6 s VAL 80 CO 0.67 -0.73 1.37 0.40 0.00 0.00 0.00 175.10 176.81 1xb6 h ILE 81 N 5.99 1.28 -1.97 2.22 2.04 -1.35 -3.47 117.51 122.26 1xb6 h ILE 81 Ca -0.24 -1.88 0.01 0.00 1.00 0.00 0.00 64.86 63.75 1xb6 h ILE 81 Cb 1.08 1.84 -0.19 0.00 -0.74 0.00 0.00 36.82 38.81 1xb6 h ILE 81 CO 0.98 0.60 0.35 0.00 0.00 0.00 0.00 178.15 180.08 1xb6 s ALA 82 N -3.90 -1.82 -0.04 1.87 0.00 -1.24 -5.00 121.76 111.64 1xb6 s ALA 82 Ca -0.10 1.30 -0.30 0.00 0.00 0.00 0.00 51.96 52.86 1xb6 s ALA 82 Cb 0.09 -0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.16 1xb6 s ALA 82 CO 0.89 -0.42 0.67 -3.38 0.00 0.00 0.00 175.76 173.52 1xb6 s HIS 83 N -1.61 -0.64 0.87 0.00 -3.43 -1.26 -1.11 115.29 108.10 1xb6 s HIS 83 Ca -0.05 1.07 -0.11 0.00 -0.80 0.00 0.00 55.06 55.17 1xb6 s HIS 83 Cb -0.00 0.41 0.16 0.00 -1.43 0.00 0.00 32.58 31.72 1xb6 s HIS 83 CO 0.03 -0.62 1.21 0.95 -2.00 0.00 0.00 174.74 174.30 1xb6 s THR 84 N -1.34 2.05 0.84 -5.38 -4.23 -0.13 -4.83 115.64 102.64 1xb6 s THR 84 Ca -0.10 -0.18 -0.13 0.00 -1.18 0.00 0.00 61.69 60.10 1xb6 s THR 84 Cb -0.00 -2.87 0.11 0.00 1.34 0.00 0.00 72.50 71.07 1xb6 s THR 84 CO 0.09 0.00 1.21 -1.59 -0.54 0.00 0.00 174.62 173.79 1xb6 s LYS 85 N -5.63 1.66 -0.03 3.99 -2.85 -1.26 -4.61 119.74 111.01 1xb6 s LYS 85 Ca 0.70 -0.01 -0.26 0.00 -1.00 0.00 0.00 55.97 55.40 1xb6 s LYS 85 Cb -0.05 -1.93 -0.03 0.00 -2.06 0.00 0.00 37.83 33.76 1xb6 s LYS 85 CO 0.50 -1.78 0.82 -1.17 0.10 0.00 0.00 175.35 173.81 1xb6 s LEU 86 N -5.65 4.34 0.16 2.77 2.96 -1.26 -4.38 118.68 117.63 1xb6 s LEU 86 Ca 0.65 1.39 0.10 0.00 -0.22 0.00 0.00 54.13 56.05 1xb6 s LEU 86 Cb -0.09 -3.29 -0.04 0.00 0.50 0.00 0.00 46.19 43.27 1xb6 s LEU 86 CO 0.50 -0.17 -0.22 0.27 -1.32 0.00 0.00 176.35 175.41 1xb6 s ILE 87 N 0.85 2.11 0.49 6.68 -4.36 0.86 -4.91 121.20 122.92 1xb6 s ILE 87 Ca 0.43 -1.89 0.05 0.00 -0.26 0.00 0.00 60.65 58.98 1xb6 s ILE 87 Cb -0.19 -1.95 0.05 0.00 1.25 0.00 0.00 42.46 41.62 1xb6 s ILE 87 CO 0.22 -0.13 0.44 0.61 0.24 0.00 0.00 174.94 176.32 1xb6 n GLY 88 N 0.48 2.60 3.73 6.27 0.00 -1.26 -1.12 105.19 115.89 1xb6 n GLY 88 Ca -0.14 -2.27 -0.42 0.00 0.00 0.00 0.00 46.02 43.19 1xb6 n GLY 88 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1xb6 n SER 89 N -1.97 3.20 0.00 1.61 3.41 -0.83 -1.95 113.62 117.09 1xb6 n SER 89 Ca 0.02 1.20 0.00 0.00 -0.26 0.00 0.00 58.87 59.83 1xb6 n SER 89 Cb 0.55 -1.55 0.00 0.00 -0.26 0.00 0.00 64.21 62.95 1xb6 n SER 89 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xb6 n GLY 90 N 0.63 1.81 3.95 5.00 0.00 -0.39 -4.98 105.19 111.21 1xb6 n GLY 90 Ca 0.03 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.86 1xb6 n GLY 90 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1xb6 s GLU 91 N -0.03 2.85 0.09 1.61 2.02 -0.82 -4.95 118.70 119.46 1xb6 s GLU 91 Ca 0.00 -1.23 -0.11 0.00 0.02 0.00 0.00 54.97 53.66 1xb6 s GLU 91 Cb 0.00 -2.66 0.01 0.00 0.10 0.00 0.00 34.13 31.58 1xb6 s GLU 91 CO 0.00 -0.07 0.24 -1.59 0.02 0.00 0.00 175.26 173.86 1xb6 s LYS 92 N -4.18 0.87 0.09 1.61 -2.85 -1.26 -3.11 119.74 110.90 1xb6 s LYS 92 Ca 0.48 -0.85 -0.15 0.00 -1.00 0.00 0.00 55.97 54.45 1xb6 s LYS 92 Cb -0.08 0.36 0.03 0.00 -2.06 0.00 0.00 37.83 36.08 1xb6 s LYS 92 CO 0.30 -0.29 0.35 0.34 0.10 0.00 0.00 175.35 176.15 1xb6 s ASP 93 N -2.72 -0.16 0.08 0.03 2.15 -0.45 -5.02 116.67 110.58 1xb6 s ASP 93 Ca 0.03 -0.29 0.06 0.00 0.43 0.00 0.00 52.55 52.78 1xb6 s ASP 93 Cb 0.03 0.42 -0.03 0.00 -0.30 0.00 0.00 42.92 43.04 1xb6 s ASP 93 CO -0.10 -0.75 -0.16 -0.44 -0.17 0.00 0.00 175.17 173.55 1xb6 s SER 94 N -2.53 1.89 -0.02 -0.34 0.01 -1.26 -0.48 113.70 110.97 1xb6 s SER 94 Ca 0.00 -0.65 0.02 0.00 1.31 0.00 0.00 55.95 56.63 1xb6 s SER 94 Cb 0.01 -0.07 0.00 0.00 0.21 0.00 0.00 66.02 66.18 1xb6 s SER 94 CO -0.08 -0.05 -0.06 0.54 0.41 0.00 0.00 173.24 173.99 1xb6 s VAL 95 N -1.32 0.57 -0.07 3.43 0.11 -0.33 -4.87 120.40 117.93 1xb6 s VAL 95 Ca 0.01 -0.25 0.05 0.00 -2.93 0.00 0.00 61.98 58.86 1xb6 s VAL 95 Cb -0.10 -0.52 -0.01 0.00 -1.53 0.00 0.00 36.38 34.22 1xb6 s VAL 95 CO 0.03 0.19 -0.24 -0.89 -3.33 0.00 0.00 175.10 170.86 1xb6 s THR 96 N 0.22 2.16 0.06 5.04 2.01 -1.26 -0.80 115.64 123.07 1xb6 s THR 96 Ca -0.03 -1.02 -0.00 0.00 0.31 0.00 0.00 61.69 60.95 1xb6 s THR 96 Cb -0.07 -1.80 -0.04 0.00 0.01 0.00 0.00 72.50 70.60 1xb6 s THR 96 CO -0.00 0.57 -0.04 0.72 -0.69 0.00 0.00 174.62 175.18 1xb6 s PHE 97 N -0.08 0.57 -0.07 4.92 -0.12 -0.19 -4.96 117.98 118.06 1xb6 s PHE 97 Ca -0.06 -0.94 -0.30 0.00 -0.05 0.00 0.00 56.93 55.59 1xb6 s PHE 97 Cb -0.14 -0.39 -0.03 0.00 -0.63 0.00 0.00 43.02 41.83 1xb6 s PHE 97 CO 0.05 -0.29 1.17 -0.51 -0.05 0.00 0.00 175.22 175.58 1xb6 s ASP 98 N -2.68 7.08 0.49 1.98 1.01 -1.26 -1.11 116.67 122.17 1xb6 s ASP 98 Ca 0.04 1.76 0.24 0.00 0.71 0.00 0.00 52.55 55.30 1xb6 s ASP 98 Cb 0.04 -2.56 1.27 0.00 1.01 0.00 0.00 42.92 42.68 1xb6 s ASP 98 CO -0.07 -0.57 2.01 0.58 0.21 0.00 0.00 175.17 177.33 1xb6 h VAL 99 N 5.05 0.69 0.00 -1.27 2.07 -1.53 -1.28 116.25 119.98 1xb6 h VAL 99 Ca -0.33 -0.69 0.00 0.00 0.82 0.00 0.00 66.70 66.50 1xb6 h VAL 99 Cb 1.16 1.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.35 1xb6 h VAL 99 CO 0.88 0.16 0.00 0.77 0.02 0.00 0.00 177.57 179.40 1xb6 h SER 100 N 0.00 0.00 0.86 0.57 4.64 -1.88 -0.08 113.55 117.65 1xb6 h SER 100 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1xb6 h SER 100 Cb 0.41 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.50 1xb6 h SER 100 CO 0.02 0.00 0.00 0.11 -0.87 0.00 0.00 176.83 176.09 1xb6 h LYS 101 N 0.00 0.00 -5.82 4.77 1.57 -1.63 -3.43 116.57 112.04 1xb6 h LYS 101 Ca 0.00 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.18 1xb6 h LYS 101 Cb 0.04 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.28 1xb6 h LYS 101 CO 0.00 0.00 -0.23 -0.51 -0.57 0.00 0.00 179.45 178.14 1xb6 s LEU 102 N -5.30 4.38 0.01 2.94 1.43 -0.05 -5.08 118.68 117.01 1xb6 s LEU 102 Ca 0.03 0.80 0.05 0.00 -1.03 0.00 0.00 54.13 53.98 1xb6 s LEU 102 Cb 0.09 -2.53 -0.03 0.00 0.03 0.00 0.00 46.19 43.75 1xb6 s LEU 102 CO 0.46 0.22 -0.14 -0.54 0.23 0.00 0.00 176.35 176.58 1xb6 s LYS 103 N -0.40 2.33 0.32 1.70 -0.14 -1.26 -5.05 119.74 117.25 1xb6 s LYS 103 Ca 0.22 -0.83 -0.29 0.00 -1.36 0.00 0.00 55.97 53.71 1xb6 s LYS 103 Cb -0.15 -2.33 -0.12 0.00 -1.68 0.00 0.00 37.83 33.55 1xb6 s LYS 103 CO 0.10 0.58 1.49 0.39 -0.76 0.00 0.00 175.35 177.15 1xb6 n GLU 104 N 1.75 2.52 0.00 1.68 -0.58 -1.26 -2.81 120.64 121.94 1xb6 n GLU 104 Ca -0.16 0.89 0.00 0.00 -0.42 0.00 0.00 57.16 57.47 1xb6 n GLU 104 Cb 0.52 -2.61 0.00 0.00 -0.57 0.00 0.00 31.44 28.79 1xb6 n GLU 104 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1xb6 n GLY 105 N 1.35 2.75 3.77 0.62 0.00 -1.26 -5.03 105.19 107.38 1xb6 n GLY 105 Ca 0.06 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1xb6 n GLY 105 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1xb6 s GLU 106 N 0.00 2.72 -0.16 1.61 2.56 -1.12 -5.03 118.70 119.27 1xb6 s GLU 106 Ca 0.00 1.42 -0.04 0.00 0.00 0.00 0.00 54.97 56.35 1xb6 s GLU 106 Cb 0.00 -1.94 -0.03 0.00 2.00 0.00 0.00 34.13 34.16 1xb6 s GLU 106 CO 0.00 -1.32 -0.03 -0.65 -0.56 0.00 0.00 175.26 172.71 1xb6 s GLN 107 N -4.09 3.70 0.11 4.30 -1.52 -1.26 -4.96 119.66 115.93 1xb6 s GLN 107 Ca 0.68 -0.50 0.10 0.00 -1.95 0.00 0.00 55.36 53.68 1xb6 s GLN 107 Cb -0.21 -2.95 -0.04 0.00 -0.22 0.00 0.00 33.01 29.58 1xb6 s GLN 107 CO 0.42 0.23 -0.23 0.71 -0.25 0.00 0.00 175.29 176.17 1xb6 s TYR 108 N 0.41 2.40 0.07 0.91 2.02 -1.25 -0.52 117.35 121.39 1xb6 s TYR 108 Ca -0.03 -0.34 0.05 0.00 -0.37 0.00 0.00 57.07 56.39 1xb6 s TYR 108 Cb -0.14 -1.31 -0.03 0.00 -0.40 0.00 0.00 41.96 40.08 1xb6 s TYR 108 CO 0.03 0.33 -0.14 -1.64 -1.57 0.00 0.00 175.55 172.55 1xb6 s MET 109 N -1.95 0.83 0.17 -0.62 -1.94 -0.33 -1.94 119.30 113.52 1xb6 s MET 109 Ca 0.15 -0.97 0.08 0.00 -1.71 0.00 0.00 55.69 53.24 1xb6 s MET 109 Cb -0.10 -0.83 -0.04 0.00 2.01 0.00 0.00 34.83 35.87 1xb6 s MET 109 CO 0.07 0.18 -0.07 -0.59 -0.01 0.00 0.00 175.02 174.60 1xb6 s PHE 110 N -1.33 2.70 0.10 -0.03 -0.12 -0.40 -2.03 117.98 116.88 1xb6 s PHE 110 Ca -0.01 -0.19 -0.26 0.00 -0.05 0.00 0.00 56.93 56.41 1xb6 s PHE 110 Cb -0.10 -1.33 0.08 0.00 -0.63 0.00 0.00 43.02 41.04 1xb6 s PHE 110 CO 0.02 0.50 1.01 -0.59 -0.05 0.00 0.00 175.22 176.12 1xb6 s PHE 111 N -1.65 -0.14 -0.14 3.49 -0.12 -0.14 -0.96 117.98 118.32 1xb6 s PHE 111 Ca 0.25 -0.11 -0.06 0.00 -0.05 0.00 0.00 56.93 56.96 1xb6 s PHE 111 Cb -0.09 0.61 -0.04 0.00 -0.63 0.00 0.00 43.02 42.87 1xb6 s PHE 111 CO 0.16 -0.69 0.06 0.00 -0.05 0.00 0.00 175.22 174.70 1xb6 n THR 113 N 2.78 0.65 -1.75 0.00 -2.24 -1.26 -3.46 114.28 109.00 1xb6 n THR 113 Ca -0.18 -0.82 -0.42 0.00 -2.27 0.00 0.00 64.05 60.36 1xb6 n THR 113 Cb 0.53 0.84 -0.01 0.00 -2.10 0.00 0.00 70.33 69.59 1xb6 n THR 113 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1xb6 n PHE 114 N 1.43 2.88 -1.69 4.78 7.35 -1.26 -4.50 117.46 126.44 1xb6 n PHE 114 Ca 0.20 0.33 -0.56 0.00 -0.76 0.00 0.00 57.45 56.66 1xb6 n PHE 114 Cb 0.59 -2.57 -0.07 0.00 0.35 0.00 0.00 39.48 37.78 1xb6 n PHE 114 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 1xb6 n PRO 115 N 1.54 1.29 0.00 -7.13 -0.02 -1.26 -1.42 135.00 127.98 1xb6 n PRO 115 Ca 0.06 0.47 0.00 0.00 -2.02 0.00 0.00 63.50 62.01 1xb6 n PRO 115 Cb 0.37 -2.17 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 1xb6 n PRO 115 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xb6 n GLY 116 N 3.99 1.72 0.10 -1.23 0.00 -1.26 -4.92 105.19 103.58 1xb6 n GLY 116 Ca 0.25 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.25 1xb6 n GLY 116 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1xb6 h HIS 117 N 0.00 0.00 0.00 1.61 3.86 -1.52 -3.38 115.15 115.72 1xb6 h HIS 117 Ca 0.00 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.20 1xb6 h HIS 117 Cb 0.00 0.00 -0.00 0.00 1.06 0.00 0.00 27.41 28.47 1xb6 h HIS 117 CO 0.00 0.71 -0.07 0.66 0.86 0.00 0.00 177.93 180.09 1xb6 h SER 118 N 0.00 0.00 -0.77 2.45 4.64 -1.74 0.34 113.55 118.47 1xb6 h SER 118 Ca -0.08 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.18 1xb6 h SER 118 Cb 1.61 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 63.67 1xb6 h SER 118 CO 0.08 0.07 0.28 0.00 -0.87 0.00 0.00 176.83 176.39 1xb6 h ALA 119 N 1.93 1.03 0.05 5.18 0.00 -1.91 -3.26 119.26 122.28 1xb6 h ALA 119 Ca -0.00 -0.21 -0.37 0.00 0.00 0.00 0.00 54.91 54.33 1xb6 h ALA 119 Cb 0.41 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 17.85 1xb6 h ALA 119 CO 0.01 0.67 -2.22 -0.11 0.00 0.00 0.00 179.25 177.60 1xb6 n LEU 120 N -4.26 2.49 -4.22 0.00 7.94 -1.09 -4.73 117.00 113.12 1xb6 n LEU 120 Ca 0.07 0.06 -0.43 0.00 -1.11 0.00 0.00 56.01 54.59 1xb6 n LEU 120 Cb 0.21 -0.83 0.00 0.00 0.53 0.00 0.00 43.42 43.33 1xb6 n LEU 120 CO 0.41 0.84 1.54 0.23 -1.11 0.00 0.00 177.39 179.30 1xb6 n MET 121 N -3.31 3.53 -3.58 1.96 2.81 0.09 -4.79 117.12 113.84 1xb6 n MET 121 Ca -0.37 -3.82 -0.11 0.00 -1.81 0.00 0.00 57.70 51.59 1xb6 n MET 121 Cb 1.03 -2.94 -0.04 0.00 -0.71 0.00 0.00 33.22 30.57 1xb6 n MET 121 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 1xb6 s LYS 122 N 0.70 1.11 0.18 0.03 -2.85 -1.26 -1.93 119.74 115.73 1xb6 s LYS 122 Ca 0.40 -0.65 -0.22 0.00 -1.00 0.00 0.00 55.97 54.50 1xb6 s LYS 122 Cb 0.01 0.50 0.08 0.00 -2.06 0.00 0.00 37.83 36.36 1xb6 s LYS 122 CO 0.00 -0.45 1.04 0.20 0.10 0.00 0.00 175.35 176.25 1xb6 s GLY 123 N -2.78 0.10 0.27 0.59 0.00 -0.13 -4.77 107.32 100.61 1xb6 s GLY 123 Ca 0.02 -0.32 -0.08 0.00 0.00 0.00 0.00 44.72 44.35 1xb6 s GLY 123 CO -0.12 2.49 0.58 -0.51 0.00 0.00 0.00 173.10 175.53 1xb6 s THR 124 N -2.19 4.95 -0.08 0.90 -4.23 -0.52 -1.27 115.64 113.20 1xb6 s THR 124 Ca 0.22 0.33 0.01 0.00 -1.18 0.00 0.00 61.69 61.07 1xb6 s THR 124 Cb -0.03 -3.67 0.02 0.00 1.34 0.00 0.00 72.50 70.16 1xb6 s THR 124 CO 0.05 -0.22 -0.08 -0.22 -0.54 0.00 0.00 174.62 173.61 1xb6 s LEU 125 N -3.21 1.33 -0.02 4.79 0.20 -0.82 -0.40 118.68 120.55 1xb6 s LEU 125 Ca 0.46 -0.24 0.01 0.00 0.69 0.00 0.00 54.13 55.05 1xb6 s LEU 125 Cb -0.11 -0.71 0.01 0.00 -0.43 0.00 0.00 46.19 44.95 1xb6 s LEU 125 CO 0.26 -0.06 -0.02 -0.89 -0.29 0.00 0.00 176.35 175.35 1xb6 s THR 126 N 1.18 0.24 0.47 3.68 2.01 -0.31 -3.90 115.64 119.01 1xb6 s THR 126 Ca -0.06 -0.04 -0.23 0.00 0.31 0.00 0.00 61.69 61.67 1xb6 s THR 126 Cb -0.14 -0.27 -0.07 0.00 0.01 0.00 0.00 72.50 72.03 1xb6 s THR 126 CO -0.02 0.12 1.23 -0.76 -0.69 0.00 0.00 174.62 174.50 1xb6 s LEU 127 N 0.48 4.01 0.00 4.42 1.43 -1.26 -0.07 118.68 127.69 1xb6 s LEU 127 Ca -0.05 2.47 0.00 0.00 -1.03 0.00 0.00 54.13 55.52 1xb6 s LEU 127 Cb -0.08 -4.19 0.00 0.00 0.03 0.00 0.00 46.19 41.95 1xb6 s LEU 127 CO -0.01 -1.06 0.43 1.17 0.23 0.00 0.00 176.35 177.11