#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s LYS 2 N 0.00 3.38 -0.04 0.03 -2.85 -1.26 -4.67 119.74 114.33 1xiw s LYS 2 Ca 0.00 -0.29 -0.30 0.00 -1.00 0.00 0.00 55.97 54.38 1xiw s LYS 2 Cb 0.00 -3.03 -0.04 0.00 -2.06 0.00 0.00 37.83 32.70 1xiw s LYS 2 CO 0.00 0.63 1.27 0.42 0.10 0.00 0.00 175.35 177.77 1xiw s ILE 3 N -0.64 4.08 0.25 3.79 1.01 -1.26 -4.98 121.20 123.45 1xiw s ILE 3 Ca 0.11 1.42 -0.30 0.00 0.00 0.00 0.00 60.65 61.89 1xiw s ILE 3 Cb -0.12 -3.91 -0.10 0.00 0.01 0.00 0.00 42.46 38.34 1xiw s ILE 3 CO 0.02 -0.00 1.38 -2.16 0.00 0.00 0.00 174.94 174.18 1xiw s PRO 4 N 2.30 4.31 -0.17 2.79 0.04 -1.26 -4.93 135.00 138.08 1xiw s PRO 4 Ca 0.58 2.22 -0.02 0.00 0.04 0.00 0.00 61.00 63.82 1xiw s PRO 4 Cb -0.27 -3.12 -0.01 0.00 0.04 0.00 0.00 34.50 31.14 1xiw s PRO 4 CO 0.23 -0.33 -0.08 0.42 0.04 0.00 0.00 177.00 177.28 1xiw s ILE 5 N -0.19 3.33 -0.15 0.56 -1.09 -1.26 -1.72 121.20 120.68 1xiw s ILE 5 Ca 0.57 -0.54 -0.06 0.00 -2.23 0.00 0.00 60.65 58.39 1xiw s ILE 5 Cb -0.40 -2.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.98 1xiw s ILE 5 CO 0.44 0.48 0.06 -1.61 -1.23 0.00 0.00 174.94 173.07 1xiw s GLU 6 N 0.84 3.69 -0.46 2.79 2.02 0.55 -4.95 118.70 123.18 1xiw s GLU 6 Ca -0.02 -0.33 0.04 0.00 0.02 0.00 0.00 54.97 54.68 1xiw s GLU 6 Cb -0.15 -3.12 0.12 0.00 0.10 0.00 0.00 34.13 31.08 1xiw s GLU 6 CO 0.01 0.44 0.20 -2.00 0.02 0.00 0.00 175.26 173.93 1xiw s GLU 7 N -0.11 1.77 -0.16 1.61 2.12 -1.26 -0.59 118.70 122.08 1xiw s GLU 7 Ca 0.07 -2.34 -0.01 0.00 0.36 0.00 0.00 54.97 53.05 1xiw s GLU 7 Cb -0.12 -3.20 -0.00 0.00 0.26 0.00 0.00 34.13 31.07 1xiw s GLU 7 CO 0.01 -1.06 -0.13 -0.51 -0.54 0.00 0.00 175.26 173.03 1xiw s LEU 8 N 0.12 2.58 0.00 2.70 1.43 -0.71 -4.93 118.68 119.88 1xiw s LEU 8 Ca 0.15 -0.43 0.00 0.00 -1.03 0.00 0.00 54.13 52.82 1xiw s LEU 8 Cb -0.24 -1.60 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1xiw s LEU 8 CO -0.03 0.08 0.00 -0.62 0.23 0.00 0.00 176.35 176.01 1xiw n GLU 9 N 4.10 0.00 -0.04 1.70 -0.58 -1.26 -1.36 120.64 123.21 1xiw n GLU 9 Ca -0.19 0.00 0.04 0.00 -0.42 0.00 0.00 57.16 56.59 1xiw n GLU 9 Cb 0.52 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.44 1xiw n GLU 9 CO 0.00 0.00 0.00 -0.40 -0.48 0.00 0.00 177.13 176.25 1xiw n ASP 10 N 10.46 2.17 -4.70 1.62 5.75 -1.26 -5.04 116.55 125.55 1xiw n ASP 10 Ca 0.00 -2.37 -0.25 0.00 -0.01 0.00 0.00 54.79 52.16 1xiw n ASP 10 Cb 0.00 -0.16 -0.07 0.00 -1.03 0.00 0.00 41.12 39.87 1xiw n ASP 10 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1xiw s ARG 11 N -1.65 2.53 -0.12 0.11 0.52 -0.46 -0.37 118.95 119.51 1xiw s ARG 11 Ca 0.12 -1.13 0.01 0.00 -0.52 0.00 0.00 55.73 54.21 1xiw s ARG 11 Cb 0.10 -2.39 -0.01 0.00 0.52 0.00 0.00 34.95 33.17 1xiw s ARG 11 CO 0.02 0.43 -0.14 0.08 0.02 0.00 0.00 175.30 175.71 1xiw s VAL 12 N -1.91 2.97 0.04 3.52 1.01 0.09 -1.73 120.40 124.38 1xiw s VAL 12 Ca 0.30 -0.70 0.05 0.00 0.00 0.00 0.00 61.98 61.63 1xiw s VAL 12 Cb -0.09 -2.23 -0.02 0.00 0.00 0.00 0.00 36.38 34.04 1xiw s VAL 12 CO 0.20 0.53 -0.15 -0.36 0.00 0.00 0.00 175.10 175.33 1xiw s PHE 13 N 0.26 1.27 -0.22 5.22 0.08 0.24 0.02 117.98 124.86 1xiw s PHE 13 Ca -0.10 -0.36 -0.07 0.00 0.12 0.00 0.00 56.93 56.52 1xiw s PHE 13 Cb -0.16 -0.75 -0.04 0.00 -0.57 0.00 0.00 43.02 41.51 1xiw s PHE 13 CO 0.06 0.04 0.07 0.08 -0.10 0.00 0.00 175.22 175.37 1xiw s VAL 14 N -0.87 4.58 -0.34 -0.44 1.01 -0.17 -0.33 120.40 123.83 1xiw s VAL 14 Ca 0.02 -0.09 -0.06 0.00 0.00 0.00 0.00 61.98 61.84 1xiw s VAL 14 Cb -0.08 -3.10 0.04 0.00 0.00 0.00 0.00 36.38 33.24 1xiw s VAL 14 CO 0.01 0.39 0.11 0.21 0.00 0.00 0.00 175.10 175.83 1xiw s ASN 15 N 1.00 5.32 0.17 3.32 3.04 -0.70 -0.77 114.94 126.32 1xiw s ASN 15 Ca 0.04 -1.20 0.08 0.00 0.04 0.00 0.00 52.86 51.82 1xiw s ASN 15 Cb -0.14 -1.87 -0.04 0.00 -1.54 0.00 0.00 41.25 37.66 1xiw s ASN 15 CO 0.03 -0.34 -0.04 0.00 -3.04 0.00 0.00 177.10 173.71 1xiw h ASN 17 N 2.82 0.95 -1.18 0.00 2.35 -1.94 -3.44 115.58 115.14 1xiw h ASN 17 Ca -0.47 -0.59 0.00 0.00 -0.55 0.00 0.00 56.30 54.69 1xiw h ASN 17 Cb 1.20 -0.28 0.00 0.00 0.05 0.00 0.00 38.32 39.29 1xiw h ASN 17 CO 0.56 1.39 0.00 1.07 -1.65 0.00 0.00 177.43 178.80 1xiw n THR 18 N -3.95 0.00 -1.19 2.81 5.66 -1.26 -4.96 114.28 111.39 1xiw n THR 18 Ca -0.06 0.00 -0.36 0.00 -3.05 0.00 0.00 64.05 60.58 1xiw n THR 18 Cb 0.71 -0.13 0.07 0.00 -1.55 0.00 0.00 70.33 69.43 1xiw n THR 18 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 1xiw n SER 19 N -0.03 -1.83 -4.15 1.09 3.41 -1.26 -4.89 113.62 105.97 1xiw n SER 19 Ca 0.00 0.54 -0.34 0.00 -0.26 0.00 0.00 58.87 58.80 1xiw n SER 19 Cb 0.00 -1.15 -0.14 0.00 -0.26 0.00 0.00 64.21 62.66 1xiw n SER 19 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 1xiw s ILE 20 N -1.98 2.84 -0.07 -1.33 1.01 -1.26 -4.07 121.20 116.33 1xiw s ILE 20 Ca 0.62 -1.52 -0.29 0.00 0.00 0.00 0.00 60.65 59.47 1xiw s ILE 20 Cb -0.33 -2.68 -0.02 0.00 0.01 0.00 0.00 42.46 39.43 1xiw s ILE 20 CO 0.61 -0.16 0.95 -0.89 0.00 0.00 0.00 174.94 175.46 1xiw s THR 21 N 1.20 4.85 -0.03 2.92 2.01 0.77 -4.91 115.64 122.45 1xiw s THR 21 Ca -0.04 1.95 -0.22 0.00 0.31 0.00 0.00 61.69 63.69 1xiw s THR 21 Cb -0.20 -4.27 -0.05 0.00 0.01 0.00 0.00 72.50 67.99 1xiw s THR 21 CO -0.02 0.09 0.64 0.86 -0.69 0.00 0.00 174.62 175.50 1xiw s TRP 22 N 1.55 3.63 -0.15 4.92 -0.00 -1.26 -0.49 118.94 127.13 1xiw s TRP 22 Ca 0.47 1.22 -0.06 0.00 -0.00 0.00 0.00 56.10 57.73 1xiw s TRP 22 Cb -0.19 -2.70 -0.07 0.00 -0.00 0.00 0.00 33.47 30.51 1xiw s TRP 22 CO 0.21 0.22 -0.18 0.28 -0.00 0.00 0.00 176.95 177.48 1xiw n VAL 23 N 3.24 0.84 -3.60 5.86 0.31 0.25 -4.93 118.33 120.30 1xiw n VAL 23 Ca -0.04 -0.24 -0.05 0.00 -0.01 0.00 0.00 64.34 64.00 1xiw n VAL 23 Cb 0.51 -1.54 -0.02 0.00 -0.91 0.00 0.00 33.84 31.88 1xiw n VAL 23 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 1xiw s GLU 24 N -2.28 0.75 1.16 5.55 -1.05 -1.02 -4.95 118.70 116.85 1xiw s GLU 24 Ca -0.21 -0.34 0.00 0.00 -0.15 0.00 0.00 54.97 54.27 1xiw s GLU 24 Cb 0.07 0.31 0.00 0.00 -0.44 0.00 0.00 34.13 34.07 1xiw s GLU 24 CO 0.28 -0.34 0.00 0.41 0.95 0.00 0.00 175.26 176.57 1xiw n GLY 25 N -0.30 -1.69 3.63 -3.83 0.00 -1.26 0.04 105.19 101.78 1xiw n GLY 25 Ca -0.06 -1.59 -0.59 0.00 0.00 0.00 0.00 46.02 43.78 1xiw n GLY 25 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1xiw n THR 26 N 0.00 0.07 0.01 2.61 -1.04 -0.10 -4.88 114.28 110.96 1xiw n THR 26 Ca 0.00 -0.01 -0.18 0.00 -2.04 0.00 0.00 64.05 61.82 1xiw n THR 26 Cb 0.00 -0.60 -0.11 0.00 -1.82 0.00 0.00 70.33 67.80 1xiw n THR 26 CO 0.00 0.00 0.00 0.58 -0.64 0.00 0.00 175.07 175.01 1xiw h VAL 27 N 4.06 1.38 -0.95 12.58 2.07 -1.91 -3.46 116.25 130.02 1xiw h VAL 27 Ca -0.47 -2.09 0.07 0.00 0.82 0.00 0.00 66.70 65.02 1xiw h VAL 27 Cb 1.37 2.48 -0.02 0.00 -1.52 0.00 0.00 31.29 33.60 1xiw h VAL 27 CO 0.83 0.62 -0.09 0.61 0.02 0.00 0.00 177.57 179.56 1xiw n GLY 28 N 1.03 -1.89 3.09 2.17 0.00 -1.26 -4.87 105.19 103.46 1xiw n GLY 28 Ca -0.10 -1.33 -0.30 0.00 0.00 0.00 0.00 46.02 44.29 1xiw n GLY 28 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xiw s THR 29 N -0.67 1.67 0.05 2.61 2.01 0.10 -4.92 115.64 116.49 1xiw s THR 29 Ca 0.00 -0.75 -0.30 0.00 0.31 0.00 0.00 61.69 60.95 1xiw s THR 29 Cb 0.00 -1.51 -0.05 0.00 0.01 0.00 0.00 72.50 70.96 1xiw s THR 29 CO 0.00 0.47 1.10 -0.22 -0.69 0.00 0.00 174.62 175.28 1xiw s LEU 30 N 0.91 4.38 -0.84 4.42 2.96 -1.26 -0.23 118.68 129.03 1xiw s LEU 30 Ca -0.07 1.88 0.00 0.00 -0.22 0.00 0.00 54.13 55.72 1xiw s LEU 30 Cb -0.15 -3.58 0.21 0.00 0.50 0.00 0.00 46.19 43.17 1xiw s LEU 30 CO -0.01 -0.36 0.71 0.18 -1.32 0.00 0.00 176.35 175.55 1xiw n LEU 31 N 3.75 3.87 -0.27 -0.68 4.77 0.11 -4.94 117.00 123.61 1xiw n LEU 31 Ca 0.07 -5.17 0.08 0.00 -0.03 0.00 0.00 56.01 50.97 1xiw n LEU 31 Cb 0.48 -0.99 0.23 0.00 -2.33 0.00 0.00 43.42 40.81 1xiw n LEU 31 CO 0.54 1.63 0.99 0.28 -1.33 0.00 0.00 177.39 179.51 1xiw h SER 32 N 5.76 0.19 -0.88 -1.43 0.02 -1.93 -2.28 113.55 113.00 1xiw h SER 32 Ca 0.16 0.14 -0.02 0.00 -0.84 0.00 0.00 61.79 61.23 1xiw h SER 32 Cb 0.79 0.15 -0.04 0.00 0.14 0.00 0.00 62.40 63.43 1xiw h SER 32 CO 0.82 0.01 0.46 0.44 -1.14 0.00 0.00 176.83 177.42 1xiw h ASP 33 N 0.36 1.11 -0.64 3.07 3.32 -1.94 -2.40 116.42 119.30 1xiw h ASP 33 Ca 0.47 -0.11 0.00 0.00 0.02 0.00 0.00 57.03 57.41 1xiw h ASP 33 Cb 0.82 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 40.08 1xiw h ASP 33 CO -0.50 0.90 0.00 2.30 -1.72 0.00 0.00 179.24 180.23 1xiw n ILE 34 N -4.32 1.82 -4.05 0.35 -5.35 -1.11 -4.97 119.36 101.73 1xiw n ILE 34 Ca 0.09 -1.21 -0.45 0.00 -0.27 0.00 0.00 62.75 60.92 1xiw n ILE 34 Cb 0.11 0.13 0.02 0.00 -1.74 0.00 0.00 39.64 38.16 1xiw n ILE 34 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1xiw n THR 35 N 1.11 -2.74 -4.00 7.28 -2.24 -0.89 -4.89 114.28 107.91 1xiw n THR 35 Ca 0.26 -0.52 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1xiw n THR 35 Cb 0.88 -2.33 -0.11 0.00 -2.10 0.00 0.00 70.33 66.67 1xiw n THR 35 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 1xiw s ARG 36 N -7.17 0.37 -0.23 -0.78 0.52 -1.03 -2.60 118.95 108.01 1xiw s ARG 36 Ca 0.43 -0.68 -0.03 0.00 -0.52 0.00 0.00 55.73 54.93 1xiw s ARG 36 Cb -0.24 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.29 1xiw s ARG 36 CO 0.97 -0.04 -0.04 -1.17 0.02 0.00 0.00 175.30 175.04 1xiw s LEU 37 N -1.60 3.05 -0.59 2.53 2.96 0.05 -0.71 118.68 124.36 1xiw s LEU 37 Ca -0.13 -0.56 -0.25 0.00 -0.22 0.00 0.00 54.13 52.97 1xiw s LEU 37 Cb -0.08 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.92 1xiw s LEU 37 CO -0.02 -0.07 1.05 -0.62 -1.32 0.00 0.00 176.35 175.38 1xiw s ASP 38 N 1.44 6.34 0.00 3.68 -1.08 0.69 -1.00 116.67 126.73 1xiw s ASP 38 Ca 0.04 -0.28 0.31 0.00 -0.52 0.00 0.00 52.55 52.10 1xiw s ASP 38 Cb -0.15 -2.48 1.82 0.00 -1.46 0.00 0.00 42.92 40.64 1xiw s ASP 38 CO -0.03 -1.38 2.17 0.18 0.52 0.00 0.00 175.17 176.63 1xiw n LEU 39 N 7.97 0.00 0.00 -1.34 4.77 0.10 -0.72 117.00 127.78 1xiw n LEU 39 Ca 0.03 0.04 0.00 0.00 -0.03 0.00 0.00 56.01 56.06 1xiw n LEU 39 Cb 0.48 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 1xiw n LEU 39 CO 0.67 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.34 1xiw n GLY 40 N 1.01 -1.84 3.73 -0.72 0.00 -1.22 -4.80 105.19 101.36 1xiw n GLY 40 Ca 0.22 -1.82 -0.42 0.00 0.00 0.00 0.00 46.02 44.01 1xiw n GLY 40 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xiw s LYS 41 N 0.00 4.26 0.45 1.61 1.02 -1.26 -0.73 119.74 125.09 1xiw s LYS 41 Ca 0.00 2.30 0.12 0.00 0.02 0.00 0.00 55.97 58.41 1xiw s LYS 41 Cb 0.00 -3.14 1.03 0.00 -0.52 0.00 0.00 37.83 35.20 1xiw s LYS 41 CO 0.00 -0.48 2.05 0.07 -0.92 0.00 0.00 175.35 176.07 1xiw h ARG 42 N 5.82 0.17 0.00 1.68 0.11 -1.02 -1.82 114.38 119.31 1xiw h ARG 42 Ca -0.44 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 59.62 1xiw h ARG 42 Cb 1.21 -0.03 0.00 0.00 1.11 0.00 0.00 29.97 32.26 1xiw h ARG 42 CO 0.83 0.19 0.00 0.44 0.10 0.00 0.00 179.97 181.53 1xiw n ILE 43 N -4.43 1.20 0.02 0.08 -5.35 -1.26 -1.25 119.36 108.37 1xiw n ILE 43 Ca -0.01 0.52 0.06 0.00 -0.27 0.00 0.00 62.75 63.05 1xiw n ILE 43 Cb 0.15 -1.48 0.25 0.00 -1.74 0.00 0.00 39.64 36.82 1xiw n ILE 43 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1xiw n LEU 44 N -2.01 3.55 -3.66 7.28 4.32 -0.68 -4.39 117.00 121.41 1xiw n LEU 44 Ca 0.00 -1.79 -0.21 0.00 -0.02 0.00 0.00 56.01 53.99 1xiw n LEU 44 Cb 0.09 -0.50 0.00 0.00 -1.62 0.00 0.00 43.42 41.39 1xiw n LEU 44 CO 0.10 0.58 -0.15 0.47 -1.22 0.00 0.00 177.39 177.16 1xiw n ASP 45 N 0.66 -5.35 -4.76 -1.43 8.00 -0.38 -4.89 116.55 108.40 1xiw n ASP 45 Ca 0.18 -0.79 -0.41 0.00 0.71 0.00 0.00 54.79 54.48 1xiw n ASP 45 Cb 0.69 -2.27 -0.03 0.00 -0.02 0.00 0.00 41.12 39.49 1xiw n ASP 45 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 1xiw s PRO 46 N -4.54 4.46 -0.12 -0.24 0.04 -1.26 -4.73 135.00 128.60 1xiw s PRO 46 Ca 0.02 2.04 -0.05 0.00 0.04 0.00 0.00 61.00 63.04 1xiw s PRO 46 Cb -0.00 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.45 1xiw s PRO 46 CO 0.87 -0.07 0.27 1.03 0.04 0.00 0.00 177.00 179.14 1xiw s ARG 47 N -1.28 0.20 0.01 4.56 0.52 -1.26 -1.84 118.95 119.86 1xiw s ARG 47 Ca 0.49 0.64 -0.06 0.00 -0.52 0.00 0.00 55.73 56.28 1xiw s ARG 47 Cb -0.36 -0.07 0.02 0.00 0.52 0.00 0.00 34.95 35.05 1xiw s ARG 47 CO 0.46 -0.21 0.27 0.41 0.02 0.00 0.00 175.30 176.25 1xiw n GLY 48 N 4.63 0.70 2.95 -3.53 0.00 -0.80 -0.92 105.19 108.21 1xiw n GLY 48 Ca -0.18 -0.90 -0.21 0.00 0.00 0.00 0.00 46.02 44.72 1xiw n GLY 48 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1xiw s ILE 49 N -2.21 0.73 0.05 -0.61 1.01 0.11 -0.58 121.20 119.69 1xiw s ILE 49 Ca 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 60.65 60.47 1xiw s ILE 49 Cb -0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 42.46 41.75 1xiw s ILE 49 CO 0.00 0.25 -0.07 -0.31 0.00 0.00 0.00 174.94 174.82 1xiw s TYR 50 N 0.64 0.68 -0.03 3.97 2.02 -0.27 -0.59 117.35 123.76 1xiw s TYR 50 Ca -0.10 -0.59 0.02 0.00 -0.37 0.00 0.00 57.07 56.03 1xiw s TYR 50 Cb -0.13 -0.41 0.01 0.00 -0.40 0.00 0.00 41.96 41.03 1xiw s TYR 50 CO 0.01 -0.11 -0.08 0.50 -1.57 0.00 0.00 175.55 174.30 1xiw s ARG 51 N -2.03 1.00 -0.08 -0.62 3.52 0.35 -0.48 118.95 120.62 1xiw s ARG 51 Ca -0.06 -0.26 -0.02 0.00 -0.13 0.00 0.00 55.73 55.25 1xiw s ARG 51 Cb -0.07 -0.93 -0.03 0.00 -1.56 0.00 0.00 34.95 32.36 1xiw s ARG 51 CO -0.01 0.05 0.03 0.00 -0.81 0.00 0.00 175.30 174.57 1xiw s ASN 53 N -1.04 5.11 0.01 0.00 0.01 -1.26 -2.53 114.94 115.24 1xiw s ASN 53 Ca 0.15 -0.63 0.00 0.00 -0.71 0.00 0.00 52.86 51.68 1xiw s ASN 53 Cb -0.11 -1.88 -0.01 0.00 0.41 0.00 0.00 41.25 39.65 1xiw s ASN 53 CO 0.04 -0.17 -0.02 -0.70 -1.51 0.00 0.00 177.10 174.74 1xiw s GLU 62 N 1.52 0.20 0.09 -0.60 2.12 -1.26 -4.89 118.70 115.88 1xiw s GLU 62 Ca 0.03 -0.29 0.01 0.00 0.36 0.00 0.00 54.97 55.09 1xiw s GLU 62 Cb -0.17 -0.05 -0.04 0.00 0.26 0.00 0.00 34.13 34.13 1xiw s GLU 62 CO 0.02 0.00 -0.06 -1.12 -0.54 0.00 0.00 175.26 173.57 1xiw s SER 63 N -0.62 1.04 -0.00 -1.70 0.01 -1.05 -4.70 113.70 106.68 1xiw s SER 63 Ca -0.06 -0.99 -0.00 0.00 1.31 0.00 0.00 55.95 56.22 1xiw s SER 63 Cb -0.04 0.11 0.00 0.00 0.21 0.00 0.00 66.02 66.29 1xiw s SER 63 CO -0.00 -0.47 0.00 -0.89 0.41 0.00 0.00 173.24 172.29 1xiw s THR 64 N -3.57 -0.00 -0.01 1.44 2.01 -1.26 -2.12 115.64 112.13 1xiw s THR 64 Ca 0.10 0.00 0.03 0.00 0.31 0.00 0.00 61.69 62.13 1xiw s THR 64 Cb 0.05 -0.01 -0.00 0.00 0.01 0.00 0.00 72.50 72.54 1xiw s THR 64 CO -0.05 0.00 -0.10 0.54 -0.69 0.00 0.00 174.62 174.32 1xiw s VAL 65 N 0.01 0.82 -0.24 3.82 0.11 0.37 -4.82 120.40 120.47 1xiw s VAL 65 Ca -0.00 -0.42 -0.05 0.00 -2.93 0.00 0.00 61.98 58.57 1xiw s VAL 65 Cb -0.00 -0.70 -0.01 0.00 -1.53 0.00 0.00 36.38 34.13 1xiw s VAL 65 CO -0.00 0.24 0.02 -1.58 -3.33 0.00 0.00 175.10 170.45 1xiw s GLN 66 N -0.10 3.42 -0.10 1.54 0.74 -1.26 -1.12 119.66 122.78 1xiw s GLN 66 Ca 0.02 -0.61 -0.12 0.00 0.05 0.00 0.00 55.36 54.69 1xiw s GLN 66 Cb -0.06 -3.18 -0.05 0.00 1.10 0.00 0.00 33.01 30.83 1xiw s GLN 66 CO -0.00 -0.24 0.29 0.08 -0.55 0.00 0.00 175.29 174.87 1xiw s VAL 67 N 1.53 5.27 -0.26 1.34 1.01 0.25 -4.95 120.40 124.59 1xiw s VAL 67 Ca 0.05 0.55 -0.04 0.00 0.00 0.00 0.00 61.98 62.55 1xiw s VAL 67 Cb -0.15 -3.59 0.10 0.00 0.00 0.00 0.00 36.38 32.73 1xiw s VAL 67 CO 0.00 0.51 0.15 -2.28 0.00 0.00 0.00 175.10 173.48 1xiw s HIS 68 N -0.42 0.16 -0.12 5.22 5.04 -1.26 -1.91 115.29 121.99 1xiw s HIS 68 Ca 0.18 -0.61 -0.05 0.00 -1.54 0.00 0.00 55.06 53.04 1xiw s HIS 68 Cb -0.14 -0.77 -0.04 0.00 0.04 0.00 0.00 32.58 31.67 1xiw s HIS 68 CO 0.07 -0.77 0.07 0.71 -2.34 0.00 0.00 174.74 172.48 1xiw s TYR 69 N 2.16 3.35 -0.38 3.88 2.02 -0.77 -5.04 117.35 122.57 1xiw s TYR 69 Ca 0.08 0.30 0.02 0.00 -0.37 0.00 0.00 57.07 57.09 1xiw s TYR 69 Cb -0.16 -1.91 0.15 0.00 -0.40 0.00 0.00 41.96 39.65 1xiw s TYR 69 CO -0.30 0.51 0.31 0.50 -1.57 0.00 0.00 175.55 175.00 1xiw s ARG 70 N -0.67 0.70 0.00 -0.62 3.00 -1.26 -4.46 118.95 115.63 1xiw s ARG 70 Ca 0.12 -1.45 0.25 0.00 -1.00 0.00 0.00 55.73 53.65 1xiw s ARG 70 Cb -0.12 -1.15 0.57 0.00 0.00 0.00 0.00 34.95 34.25 1xiw s ARG 70 CO 0.02 -1.27 1.45 -1.33 0.00 0.00 0.00 175.30 174.18 1xiw n MET 71 N 3.67 0.37 -3.33 5.12 2.81 -1.26 -5.00 117.12 119.51 1xiw n MET 71 Ca 0.18 -0.22 -0.17 0.00 -1.81 0.00 0.00 57.70 55.68 1xiw n MET 71 Cb 0.43 -1.50 0.07 0.00 -0.71 0.00 0.00 33.22 31.52 1xiw n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1xiw n GLN 73 N -3.51 -2.14 -0.69 0.00 1.13 -1.26 -5.19 117.38 105.72 1xiw n GLN 73 Ca -0.13 1.87 0.00 0.00 -1.94 0.00 0.00 57.00 56.81 1xiw n GLN 73 Cb 0.63 -3.75 0.00 0.00 0.11 0.00 0.00 30.24 27.23 1xiw n GLN 73 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05