#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s ILE 3 N 0.00 2.83 0.15 0.58 1.01 -1.26 -4.97 121.20 119.53 1xiw s ILE 3 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.36 1xiw s ILE 3 Cb 0.00 -3.00 -0.07 0.00 0.01 0.00 0.00 42.46 39.40 1xiw s ILE 3 CO 0.00 -0.00 1.00 -2.16 0.00 0.00 0.00 174.94 173.78 1xiw s PRO 4 N 3.88 4.68 -0.15 2.79 0.04 -1.25 -4.95 135.00 140.04 1xiw s PRO 4 Ca 0.86 1.54 -0.06 0.00 0.04 0.00 0.00 61.00 63.38 1xiw s PRO 4 Cb -0.44 -3.33 -0.04 0.00 0.04 0.00 0.00 34.50 30.73 1xiw s PRO 4 CO 0.40 0.20 0.07 0.42 0.04 0.00 0.00 177.00 178.14 1xiw s ILE 5 N -0.21 4.93 -0.19 0.56 -1.09 -1.26 -1.90 121.20 122.03 1xiw s ILE 5 Ca 0.47 0.00 -0.03 0.00 -2.23 0.00 0.00 60.65 58.86 1xiw s ILE 5 Cb -0.26 -3.18 -0.01 0.00 -1.58 0.00 0.00 42.46 37.43 1xiw s ILE 5 CO 0.32 0.53 -0.06 -1.61 -1.23 0.00 0.00 174.94 172.89 1xiw s GLU 6 N -0.21 3.45 -0.65 2.79 2.02 0.10 -4.95 118.70 121.24 1xiw s GLU 6 Ca 0.08 -0.61 -0.04 0.00 0.02 0.00 0.00 54.97 54.42 1xiw s GLU 6 Cb -0.12 -2.92 0.17 0.00 0.10 0.00 0.00 34.13 31.36 1xiw s GLU 6 CO 0.01 -0.03 0.48 -2.00 0.02 0.00 0.00 175.26 173.74 1xiw s GLU 7 N 1.03 2.68 -0.19 1.61 2.12 -1.26 -0.55 118.70 124.14 1xiw s GLU 7 Ca 0.00 -2.55 -0.03 0.00 0.36 0.00 0.00 54.97 52.75 1xiw s GLU 7 Cb -0.15 -3.80 -0.01 0.00 0.26 0.00 0.00 34.13 30.43 1xiw s GLU 7 CO -0.00 -1.19 -0.05 -0.51 -0.54 0.00 0.00 175.26 172.97 1xiw s LEU 8 N -0.08 2.97 0.00 2.70 1.43 -0.87 -4.95 118.68 119.88 1xiw s LEU 8 Ca 0.17 -0.32 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1xiw s LEU 8 Cb -0.19 -1.74 0.00 0.00 0.03 0.00 0.00 46.19 44.29 1xiw s LEU 8 CO -0.04 0.05 0.00 -0.62 0.23 0.00 0.00 176.35 175.97 1xiw n GLU 9 N 4.34 0.00 -0.09 1.70 1.02 -1.26 -1.47 120.64 124.87 1xiw n GLU 9 Ca -0.18 0.00 0.03 0.00 -0.02 0.00 0.00 57.16 56.99 1xiw n GLU 9 Cb 0.51 0.00 0.08 0.00 -0.02 0.00 0.00 31.44 32.01 1xiw n GLU 9 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xiw n ASP 10 N 11.10 2.47 -4.66 1.62 5.75 -1.26 -5.04 116.55 126.53 1xiw n ASP 10 Ca 0.00 -2.01 -0.23 0.00 -0.01 0.00 0.00 54.79 52.54 1xiw n ASP 10 Cb 0.00 -0.12 -0.07 0.00 -1.03 0.00 0.00 41.12 39.90 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 -1.02 2.23 -0.10 0.11 0.52 -0.54 -0.83 118.95 119.32 1xiw s ARG 11 Ca 0.12 -1.55 0.04 0.00 -0.52 0.00 0.00 55.73 53.82 1xiw s ARG 11 Cb 0.06 -2.09 0.00 0.00 0.52 0.00 0.00 34.95 33.44 1xiw s ARG 11 CO 0.08 0.24 -0.22 0.08 0.02 0.00 0.00 175.30 175.50 1xiw s VAL 12 N -2.41 1.92 0.04 3.52 1.01 -0.88 -2.05 120.40 121.55 1xiw s VAL 12 Ca 0.34 -0.94 0.06 0.00 0.00 0.00 0.00 61.98 61.44 1xiw s VAL 12 Cb -0.04 -1.67 -0.02 0.00 0.00 0.00 0.00 36.38 34.65 1xiw s VAL 12 CO 0.20 0.53 -0.18 -0.36 0.00 0.00 0.00 175.10 175.29 1xiw s PHE 13 N 0.40 1.55 -0.21 5.22 0.08 0.29 -0.71 117.98 124.60 1xiw s PHE 13 Ca -0.18 -0.36 -0.09 0.00 0.12 0.00 0.00 56.93 56.42 1xiw s PHE 13 Cb -0.18 -0.93 -0.05 0.00 -0.57 0.00 0.00 43.02 41.30 1xiw s PHE 13 CO 0.08 0.06 0.12 0.08 -0.10 0.00 0.00 175.22 175.46 1xiw s VAL 14 N -0.80 5.12 -0.23 -0.44 1.01 -0.28 0.01 120.40 124.79 1xiw s VAL 14 Ca 0.05 0.09 -0.00 0.00 0.00 0.00 0.00 61.98 62.12 1xiw s VAL 14 Cb -0.08 -3.35 0.03 0.00 0.00 0.00 0.00 36.38 32.97 1xiw s VAL 14 CO 0.01 0.40 -0.10 0.21 0.00 0.00 0.00 175.10 175.62 1xiw s ASN 15 N 0.73 4.07 0.33 3.32 3.04 -0.80 -1.15 114.94 124.48 1xiw s ASN 15 Ca 0.06 -0.90 0.09 0.00 0.04 0.00 0.00 52.86 52.15 1xiw s ASN 15 Cb -0.13 -1.60 -0.05 0.00 -1.54 0.00 0.00 41.25 37.93 1xiw s ASN 15 CO 0.02 -0.11 0.02 0.00 -3.04 0.00 0.00 177.10 173.99 1xiw h ASN 17 N 1.79 -0.05 0.00 0.00 2.35 -1.96 -3.45 115.58 114.26 1xiw h ASN 17 Ca -0.43 -0.61 -0.05 0.00 -0.55 0.00 0.00 56.30 54.67 1xiw h ASN 17 Cb 1.25 0.01 -0.01 0.00 0.05 0.00 0.00 38.32 39.63 1xiw h ASN 17 CO 0.66 0.63 -0.69 0.41 -1.65 0.00 0.00 177.43 176.79 1xiw n THR 18 N -4.79 1.13 -4.04 2.81 -1.04 -1.26 -4.94 114.28 102.15 1xiw n THR 18 Ca -0.08 0.19 -0.08 0.00 -2.04 0.00 0.00 64.05 62.04 1xiw n THR 18 Cb 0.32 -1.81 -0.10 0.00 -1.82 0.00 0.00 70.33 66.92 1xiw n THR 18 CO 0.00 0.00 0.00 -0.94 -0.64 0.00 0.00 175.07 173.49 1xiw s SER 19 N -5.96 0.39 -0.07 8.00 1.04 -1.26 -4.92 113.70 110.93 1xiw s SER 19 Ca -0.12 -0.80 0.04 0.00 0.48 0.00 0.00 55.95 55.55 1xiw s SER 19 Cb 0.03 0.16 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1xiw s SER 19 CO 0.17 -0.48 -0.19 -0.51 0.98 0.00 0.00 173.24 173.20 1xiw s ILE 20 N -2.96 1.62 -0.16 -1.02 1.10 -1.26 -1.97 121.20 116.54 1xiw s ILE 20 Ca -0.02 -0.79 0.02 0.00 -0.51 0.00 0.00 60.65 59.35 1xiw s ILE 20 Cb 0.01 -1.40 0.01 0.00 0.15 0.00 0.00 42.46 41.23 1xiw s ILE 20 CO -0.06 0.46 -0.20 -0.89 -2.11 0.00 0.00 174.94 172.14 1xiw s THR 21 N 0.27 2.18 0.19 4.00 2.01 0.51 -4.95 115.64 119.84 1xiw s THR 21 Ca -0.11 -0.92 -0.30 0.00 0.31 0.00 0.00 61.69 60.66 1xiw s THR 21 Cb -0.15 -1.89 -0.08 0.00 0.01 0.00 0.00 72.50 70.39 1xiw s THR 21 CO 0.05 0.54 1.22 0.86 -0.69 0.00 0.00 174.62 176.60 1xiw s TRP 22 N 0.99 3.39 -0.09 4.92 -0.00 -1.26 -0.61 118.94 126.27 1xiw s TRP 22 Ca -0.02 1.38 -0.04 0.00 -0.00 0.00 0.00 56.10 57.41 1xiw s TRP 22 Cb -0.15 -3.47 -0.04 0.00 -0.00 0.00 0.00 33.47 29.81 1xiw s TRP 22 CO -0.05 -1.35 -0.12 0.28 -0.00 0.00 0.00 176.95 175.71 1xiw n VAL 23 N 2.55 0.51 -3.76 5.86 0.31 -0.43 -4.92 118.33 118.44 1xiw n VAL 23 Ca 0.05 -0.13 -0.04 0.00 -0.01 0.00 0.00 64.34 64.21 1xiw n VAL 23 Cb 0.44 -1.58 -0.01 0.00 -0.91 0.00 0.00 33.84 31.78 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 -2.17 1.26 2.23 5.55 -1.05 -1.08 -4.96 118.70 118.48 1xiw s GLU 24 Ca -0.13 -0.69 0.00 0.00 -0.15 0.00 0.00 54.97 54.00 1xiw s GLU 24 Cb 0.05 0.43 0.00 0.00 -0.44 0.00 0.00 34.13 34.17 1xiw s GLU 24 CO 0.16 -0.58 0.00 0.41 0.95 0.00 0.00 175.26 176.21 1xiw n GLY 25 N -0.47 -1.05 3.68 -3.83 0.00 -1.26 -0.63 105.19 101.63 1xiw n GLY 25 Ca -0.06 -1.29 -0.59 0.00 0.00 0.00 0.00 46.02 44.09 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 0.16 0.04 2.61 -1.04 0.84 -4.87 114.28 112.02 1xiw n THR 26 Ca 0.00 -0.03 -0.19 0.00 -2.04 0.00 0.00 64.05 61.79 1xiw n THR 26 Cb 0.00 -0.89 -0.09 0.00 -1.82 0.00 0.00 70.33 67.53 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 4.65 1.30 -0.73 12.58 2.07 -1.90 -3.46 116.25 130.76 1xiw h VAL 27 Ca -0.47 -2.24 0.00 0.00 0.82 0.00 0.00 66.70 64.82 1xiw h VAL 27 Cb 1.34 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 1xiw h VAL 27 CO 0.91 0.69 0.00 0.61 0.02 0.00 0.00 177.57 179.80 1xiw n GLY 28 N 1.01 -0.43 2.92 2.17 0.00 -1.26 -4.81 105.19 104.80 1xiw n GLY 28 Ca -0.10 -1.07 -0.26 0.00 0.00 0.00 0.00 46.02 44.60 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 0.00 0.96 -0.06 2.61 2.01 0.02 -4.95 115.64 116.23 1xiw s THR 29 Ca 0.00 -0.28 -0.30 0.00 0.31 0.00 0.00 61.69 61.42 1xiw s THR 29 Cb 0.00 -0.97 -0.03 0.00 0.01 0.00 0.00 72.50 71.51 1xiw s THR 29 CO 0.00 0.35 1.14 -0.22 -0.69 0.00 0.00 174.62 175.20 1xiw s LEU 30 N 1.46 4.28 -0.90 4.42 2.96 -1.26 -0.59 118.68 129.05 1xiw s LEU 30 Ca -0.00 1.74 -0.01 0.00 -0.22 0.00 0.00 54.13 55.64 1xiw s LEU 30 Cb -0.13 -3.56 0.24 0.00 0.50 0.00 0.00 46.19 43.24 1xiw s LEU 30 CO -0.05 -0.53 0.91 0.18 -1.32 0.00 0.00 176.35 175.54 1xiw n LEU 31 N 5.05 4.55 -0.34 -0.68 4.77 0.53 -4.95 117.00 125.93 1xiw n LEU 31 Ca 0.10 -5.20 0.10 0.00 -0.03 0.00 0.00 56.01 50.99 1xiw n LEU 31 Cb 0.47 -1.07 0.30 0.00 -2.33 0.00 0.00 43.42 40.79 1xiw n LEU 31 CO 0.54 1.66 1.22 0.77 -1.33 0.00 0.00 177.39 180.25 1xiw h SER 32 N 5.62 0.82 -0.37 -1.43 4.64 -1.93 -2.03 113.55 118.86 1xiw h SER 32 Ca 0.18 0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.47 1xiw h SER 32 Cb 0.75 -0.10 -0.02 0.00 -0.31 0.00 0.00 62.40 62.72 1xiw h SER 32 CO 0.94 0.39 -0.06 0.44 -0.87 0.00 0.00 176.83 177.67 1xiw h ASP 33 N 0.85 0.77 -0.66 4.97 3.32 -1.94 -2.39 116.42 121.34 1xiw h ASP 33 Ca 0.51 -0.21 0.00 0.00 0.02 0.00 0.00 57.03 57.35 1xiw h ASP 33 Cb 0.67 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.01 1xiw h ASP 33 CO -0.28 0.87 0.00 2.30 -1.72 0.00 0.00 179.24 180.41 1xiw n ILE 34 N -4.19 1.67 -3.94 0.35 -5.35 -1.09 -4.97 119.36 101.84 1xiw n ILE 34 Ca 0.02 -1.13 -0.35 0.00 -0.27 0.00 0.00 62.75 61.01 1xiw n ILE 34 Cb 0.34 0.17 0.01 0.00 -1.74 0.00 0.00 39.64 38.42 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 1.22 -2.96 -3.96 7.28 -2.24 -0.80 -4.86 114.28 107.95 1xiw n THR 35 Ca 0.25 -0.28 -0.09 0.00 -2.27 0.00 0.00 64.05 61.67 1xiw n THR 35 Cb 0.84 -2.58 -0.10 0.00 -2.10 0.00 0.00 70.33 66.39 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 -6.15 0.51 -0.21 -0.78 0.52 -0.97 -2.54 118.95 109.34 1xiw s ARG 36 Ca 0.23 -0.76 0.00 0.00 -0.52 0.00 0.00 55.73 54.68 1xiw s ARG 36 Cb -0.13 0.19 0.02 0.00 0.52 0.00 0.00 34.95 35.56 1xiw s ARG 36 CO 0.94 -0.11 -0.15 -1.17 0.02 0.00 0.00 175.30 174.83 1xiw s LEU 37 N -2.01 2.56 -0.50 2.53 2.96 -0.30 -0.34 118.68 123.57 1xiw s LEU 37 Ca -0.07 -0.73 -0.26 0.00 -0.22 0.00 0.00 54.13 52.85 1xiw s LEU 37 Cb -0.03 -1.55 0.03 0.00 0.50 0.00 0.00 46.19 45.14 1xiw s LEU 37 CO -0.04 -0.04 0.98 -0.62 -1.32 0.00 0.00 176.35 175.30 1xiw s ASP 38 N 1.30 6.46 0.00 3.68 -1.08 0.24 -1.13 116.67 126.14 1xiw s ASP 38 Ca 0.03 0.01 0.30 0.00 -0.52 0.00 0.00 52.55 52.37 1xiw s ASP 38 Cb -0.15 -2.47 1.58 0.00 -1.46 0.00 0.00 42.92 40.43 1xiw s ASP 38 CO -0.09 -1.17 2.05 0.18 0.52 0.00 0.00 175.17 176.66 1xiw n LEU 39 N 7.45 0.47 0.00 -1.34 4.77 0.11 -0.80 117.00 127.66 1xiw n LEU 39 Ca 0.06 -0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 1xiw n LEU 39 Cb 0.48 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.54 1xiw n LEU 39 CO 0.65 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.40 1xiw n GLY 40 N 1.09 -2.36 3.76 -0.72 0.00 -1.25 -4.80 105.19 100.92 1xiw n GLY 40 Ca 0.21 -1.89 -0.41 0.00 0.00 0.00 0.00 46.02 43.93 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 -0.28 4.15 0.30 1.61 1.02 -1.26 -2.07 119.74 123.21 1xiw s LYS 41 Ca 0.00 2.52 -0.01 0.00 0.02 0.00 0.00 55.97 58.50 1xiw s LYS 41 Cb 0.00 -3.01 0.48 0.00 -0.52 0.00 0.00 37.83 34.78 1xiw s LYS 41 CO 0.00 -0.53 1.96 -0.09 -0.92 0.00 0.00 175.35 175.77 1xiw h ARG 42 N 3.93 1.05 0.00 1.68 2.43 -1.30 -2.38 114.38 119.79 1xiw h ARG 42 Ca -0.49 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.62 1xiw h ARG 42 Cb 1.23 -0.24 0.00 0.00 -0.42 0.00 0.00 29.97 30.54 1xiw h ARG 42 CO 0.71 0.69 0.00 -0.84 -1.51 0.00 0.00 179.97 179.03 1xiw h ILE 43 N 1.08 0.00 -0.30 1.20 3.07 -1.91 -1.98 117.51 118.67 1xiw h ILE 43 Ca 0.32 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.66 1xiw h ILE 43 Cb -0.04 0.81 0.00 0.00 -0.27 0.00 0.00 36.82 37.32 1xiw h ILE 43 CO -0.08 0.00 0.00 0.18 -1.05 0.00 0.00 178.15 177.20 1xiw n LEU 44 N -2.62 2.64 -3.71 0.16 4.77 -0.89 -4.87 117.00 112.46 1xiw n LEU 44 Ca -0.01 -1.33 -0.31 0.00 -0.03 0.00 0.00 56.01 54.32 1xiw n LEU 44 Cb 0.09 -0.43 0.03 0.00 -2.33 0.00 0.00 43.42 40.78 1xiw n LEU 44 CO 0.16 0.44 -0.08 0.47 -1.33 0.00 0.00 177.39 177.06 1xiw n ASP 45 N 0.39 -5.29 -4.76 -1.43 9.92 -0.75 -4.90 116.55 109.73 1xiw n ASP 45 Ca 0.12 -1.00 -0.38 0.00 -0.53 0.00 0.00 54.79 53.00 1xiw n ASP 45 Cb 0.52 -3.08 0.01 0.00 -0.64 0.00 0.00 41.12 37.92 1xiw n ASP 45 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1xiw s PRO 46 N -5.91 3.68 -0.16 -0.24 0.04 -1.26 -4.65 135.00 126.48 1xiw s PRO 46 Ca 0.41 2.08 -0.11 0.00 0.04 0.00 0.00 61.00 63.42 1xiw s PRO 46 Cb -0.16 -2.52 0.05 0.00 0.04 0.00 0.00 34.50 31.91 1xiw s PRO 46 CO 0.87 -0.71 0.40 1.03 0.04 0.00 0.00 177.00 178.64 1xiw s ARG 47 N -2.56 0.41 0.00 4.56 0.52 -1.26 -2.21 118.95 118.42 1xiw s ARG 47 Ca 0.63 0.71 0.00 0.00 -0.52 0.00 0.00 55.73 56.55 1xiw s ARG 47 Cb -0.36 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.16 1xiw s ARG 47 CO 0.45 -0.13 0.00 0.41 0.02 0.00 0.00 175.30 176.05 1xiw n GLY 48 N 3.80 -1.40 3.10 -3.53 0.00 -0.84 -0.11 105.19 106.21 1xiw n GLY 48 Ca -0.20 -1.00 -0.25 0.00 0.00 0.00 0.00 46.02 44.57 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 -2.45 1.27 0.01 -0.61 1.01 0.20 -0.10 121.20 120.54 1xiw s ILE 49 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 60.65 60.03 1xiw s ILE 49 Cb 0.00 -1.10 -0.01 0.00 0.01 0.00 0.00 42.46 41.36 1xiw s ILE 49 CO 0.00 0.37 -0.02 -0.31 0.00 0.00 0.00 174.94 174.98 1xiw s TYR 50 N 0.10 0.22 -0.08 3.97 2.02 -0.20 -1.32 117.35 122.05 1xiw s TYR 50 Ca -0.04 -0.31 0.03 0.00 -0.37 0.00 0.00 57.07 56.38 1xiw s TYR 50 Cb -0.11 -0.15 -0.02 0.00 -0.40 0.00 0.00 41.96 41.29 1xiw s TYR 50 CO 0.02 -0.10 -0.18 0.50 -1.57 0.00 0.00 175.55 174.21 1xiw s ARG 51 N -0.87 2.82 -0.28 -0.62 3.52 0.21 -0.53 118.95 123.20 1xiw s ARG 51 Ca -0.09 -0.78 -0.11 0.00 -0.13 0.00 0.00 55.73 54.63 1xiw s ARG 51 Cb -0.06 -2.38 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1xiw s ARG 51 CO -0.00 0.39 0.18 0.00 -0.81 0.00 0.00 175.30 175.05 1xiw s ASN 53 N 1.73 6.22 0.11 0.00 0.01 -0.83 -1.09 114.94 121.08 1xiw s ASN 53 Ca 0.07 -0.97 -0.09 0.00 -0.71 0.00 0.00 52.86 51.16 1xiw s ASN 53 Cb -0.16 -2.33 -0.00 0.00 0.41 0.00 0.00 41.25 39.16 1xiw s ASN 53 CO 0.10 -1.08 0.22 -1.83 -1.51 0.00 0.00 177.10 173.00 1xiw s GLU 62 N 3.06 0.92 0.06 -0.60 -1.05 -1.26 -4.91 118.70 114.93 1xiw s GLU 62 Ca 0.18 -1.00 -0.18 0.00 -0.15 0.00 0.00 54.97 53.81 1xiw s GLU 62 Cb -0.19 0.35 0.04 0.00 -0.44 0.00 0.00 34.13 33.89 1xiw s GLU 62 CO 0.11 -0.31 0.42 0.45 0.95 0.00 0.00 175.26 176.89 1xiw s SER 63 N -2.88 -0.29 -0.02 0.83 0.15 -0.25 -5.04 113.70 106.20 1xiw s SER 63 Ca 0.08 -0.06 0.04 0.00 0.70 0.00 0.00 55.95 56.71 1xiw s SER 63 Cb 0.04 0.45 -0.01 0.00 -1.71 0.00 0.00 66.02 64.79 1xiw s SER 63 CO -0.09 -0.72 -0.12 -0.89 1.20 0.00 0.00 173.24 172.62 1xiw s THR 64 N -2.80 1.01 -0.03 6.45 2.01 -1.26 0.00 115.64 121.02 1xiw s THR 64 Ca -0.03 -0.53 0.03 0.00 0.31 0.00 0.00 61.69 61.48 1xiw s THR 64 Cb -0.00 -0.86 -0.00 0.00 0.01 0.00 0.00 72.50 71.65 1xiw s THR 64 CO -0.05 0.29 -0.12 0.54 -0.69 0.00 0.00 174.62 174.59 1xiw s VAL 65 N -0.14 1.05 -0.26 3.82 0.11 0.31 -4.88 120.40 120.41 1xiw s VAL 65 Ca 0.02 -0.51 -0.07 0.00 -2.93 0.00 0.00 61.98 58.49 1xiw s VAL 65 Cb -0.07 -0.91 -0.02 0.00 -1.53 0.00 0.00 36.38 33.85 1xiw s VAL 65 CO 0.00 0.31 0.06 -1.58 -3.33 0.00 0.00 175.10 170.56 1xiw s GLN 66 N 0.10 3.49 -0.02 1.54 0.74 -1.26 -1.04 119.66 123.21 1xiw s GLN 66 Ca -0.03 -0.58 -0.18 0.00 0.05 0.00 0.00 55.36 54.62 1xiw s GLN 66 Cb -0.09 -3.30 -0.05 0.00 1.10 0.00 0.00 33.01 30.66 1xiw s GLN 66 CO 0.01 -0.25 0.51 0.08 -0.55 0.00 0.00 175.29 175.09 1xiw s VAL 67 N 1.58 5.00 -0.27 1.34 1.01 0.86 -4.94 120.40 124.98 1xiw s VAL 67 Ca 0.06 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 63.05 1xiw s VAL 67 Cb -0.15 -3.84 0.11 0.00 0.00 0.00 0.00 36.38 32.50 1xiw s VAL 67 CO 0.03 0.45 0.19 -2.28 0.00 0.00 0.00 175.10 173.49 1xiw s HIS 68 N -0.32 -0.02 -0.10 5.22 2.46 -1.26 -1.99 115.29 119.28 1xiw s HIS 68 Ca 0.27 -0.45 -0.02 0.00 0.47 0.00 0.00 55.06 55.33 1xiw s HIS 68 Cb -0.17 -0.67 -0.03 0.00 -0.13 0.00 0.00 32.58 31.58 1xiw s HIS 68 CO 0.14 -0.80 -0.02 0.71 -2.47 0.00 0.00 174.74 172.31 1xiw s TYR 69 N 2.22 3.08 -0.45 3.88 2.02 -0.94 -5.04 117.35 122.12 1xiw s TYR 69 Ca 0.08 0.04 0.06 0.00 -0.37 0.00 0.00 57.07 56.88 1xiw s TYR 69 Cb -0.15 -1.82 0.20 0.00 -0.40 0.00 0.00 41.96 39.80 1xiw s TYR 69 CO -0.30 0.31 0.57 -2.13 -1.57 0.00 0.00 175.55 172.44 1xiw n ARG 70 N 2.52 0.49 0.00 -0.62 0.00 -1.26 -4.55 116.66 113.23 1xiw n ARG 70 Ca -0.18 -2.65 0.14 0.00 -0.00 0.00 0.00 57.85 55.16 1xiw n ARG 70 Cb 0.53 -1.48 0.60 0.00 0.00 0.00 0.00 32.46 32.10 1xiw n ARG 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1xiw n MET 71 N 2.36 1.01 -0.31 -0.14 2.81 -1.26 -5.12 117.12 116.48 1xiw n MET 71 Ca 0.21 -0.43 0.00 0.00 -1.81 0.00 0.00 57.70 55.67 1xiw n MET 71 Cb 0.54 -1.49 0.00 0.00 -0.71 0.00 0.00 33.22 31.56 1xiw n MET 71 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48