#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xiw s THR 13 N 0.00 2.10 0.77 5.09 2.01 -1.26 -4.95 115.64 119.41 1xiw s THR 13 Ca 0.00 0.09 -0.13 0.00 0.31 0.00 0.00 61.69 61.95 1xiw s THR 13 Cb 0.00 -3.06 0.06 0.00 0.01 0.00 0.00 72.50 69.52 1xiw s THR 13 CO 0.00 0.02 1.18 -2.84 -0.69 0.00 0.00 174.62 172.28 1xiw s PRO 14 N -0.73 1.91 0.62 4.92 0.02 -1.26 -4.72 135.00 135.76 1xiw s PRO 14 Ca 0.61 1.65 -0.17 0.00 0.02 0.00 0.00 61.00 63.11 1xiw s PRO 14 Cb -0.47 -1.82 -0.02 0.00 0.02 0.00 0.00 34.50 32.21 1xiw s PRO 14 CO 0.50 -1.98 1.14 0.71 -0.33 0.00 0.00 177.00 177.03 1xiw s TYR 15 N -2.23 2.56 -0.02 6.54 2.02 -1.26 -4.63 117.35 120.32 1xiw s TYR 15 Ca 0.71 1.55 0.02 0.00 -0.37 0.00 0.00 57.07 58.98 1xiw s TYR 15 Cb -0.26 -3.28 -0.03 0.00 -0.40 0.00 0.00 41.96 37.99 1xiw s TYR 15 CO 0.49 -1.80 -0.06 0.15 -1.57 0.00 0.00 175.55 172.76 1xiw s LYS 16 N -3.70 2.64 -0.09 -0.62 1.02 0.27 -4.94 119.74 114.32 1xiw s LYS 16 Ca 0.71 -0.65 0.02 0.00 0.02 0.00 0.00 55.97 56.06 1xiw s LYS 16 Cb -0.24 -2.55 0.01 0.00 -0.52 0.00 0.00 37.83 34.54 1xiw s LYS 16 CO 0.36 0.62 -0.13 0.08 -0.92 0.00 0.00 175.35 175.36 1xiw s VAL 17 N -0.95 1.30 -0.08 3.17 1.01 -1.26 -0.65 120.40 122.93 1xiw s VAL 17 Ca 0.16 -0.54 0.00 0.00 0.00 0.00 0.00 61.98 61.60 1xiw s VAL 17 Cb -0.11 -1.20 0.02 0.00 0.00 0.00 0.00 36.38 35.09 1xiw s VAL 17 CO 0.06 0.40 -0.06 -0.55 0.00 0.00 0.00 175.10 174.95 1xiw s SER 18 N 0.92 1.70 -0.12 3.32 0.15 -0.31 -5.00 113.70 114.37 1xiw s SER 18 Ca -0.09 -0.21 0.01 0.00 0.70 0.00 0.00 55.95 56.36 1xiw s SER 18 Cb -0.15 -0.66 -0.01 0.00 -1.71 0.00 0.00 66.02 63.49 1xiw s SER 18 CO 0.00 -0.10 -0.17 -0.63 1.20 0.00 0.00 173.24 173.54 1xiw s ILE 19 N 1.41 2.67 -0.33 6.45 1.01 -1.26 0.01 121.20 131.16 1xiw s ILE 19 Ca -0.02 -0.80 -0.02 0.00 0.00 0.00 0.00 60.65 59.81 1xiw s ILE 19 Cb -0.13 -2.09 0.12 0.00 0.01 0.00 0.00 42.46 40.37 1xiw s ILE 19 CO -0.04 0.54 0.16 -0.94 0.00 0.00 0.00 174.94 174.66 1xiw s SER 20 N 0.35 3.42 1.14 3.58 1.04 -0.33 -5.01 113.70 117.89 1xiw s SER 20 Ca -0.14 -1.75 0.00 0.00 0.48 0.00 0.00 55.95 54.54 1xiw s SER 20 Cb -0.17 -0.49 0.00 0.00 0.10 0.00 0.00 66.02 65.46 1xiw s SER 20 CO 0.07 -0.38 0.00 0.61 0.98 0.00 0.00 173.24 174.52 1xiw n GLY 21 N 4.64 2.00 0.96 7.32 0.00 -1.26 -2.64 105.19 116.21 1xiw n GLY 21 Ca 0.02 -0.27 0.08 0.00 0.00 0.00 0.00 46.02 45.85 1xiw n GLY 21 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1xiw n THR 22 N 0.00 1.41 -4.64 2.61 -2.24 -1.26 -4.63 114.28 105.53 1xiw n THR 22 Ca 0.00 -1.21 -0.33 0.00 -2.27 0.00 0.00 64.05 60.24 1xiw n THR 22 Cb 0.00 0.28 -0.13 0.00 -2.10 0.00 0.00 70.33 68.38 1xiw n THR 22 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1xiw s THR 23 N -1.52 3.38 -0.17 4.28 2.01 -1.08 -0.91 115.64 121.63 1xiw s THR 23 Ca 0.35 -0.55 -0.03 0.00 0.31 0.00 0.00 61.69 61.78 1xiw s THR 23 Cb 0.22 -2.44 -0.02 0.00 0.01 0.00 0.00 72.50 70.27 1xiw s THR 23 CO 0.18 0.52 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.89 1xiw s VAL 24 N 0.27 3.62 -0.18 3.82 1.01 -0.66 -1.18 120.40 127.09 1xiw s VAL 24 Ca -0.07 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 61.48 1xiw s VAL 24 Cb -0.15 -2.60 0.02 0.00 0.00 0.00 0.00 36.38 33.65 1xiw s VAL 24 CO 0.04 0.47 -0.20 -0.63 0.00 0.00 0.00 175.10 174.79 1xiw s ILE 25 N 0.73 2.09 -0.12 2.22 1.01 0.10 -0.20 121.20 127.04 1xiw s ILE 25 Ca -0.02 -0.93 -0.06 0.00 0.00 0.00 0.00 60.65 59.63 1xiw s ILE 25 Cb -0.15 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.41 1xiw s ILE 25 CO 0.02 0.53 0.11 -0.76 0.00 0.00 0.00 174.94 174.84 1xiw s LEU 26 N 1.29 4.18 -0.03 2.97 1.43 -0.19 -1.16 118.68 127.16 1xiw s LEU 26 Ca 0.05 0.37 0.07 0.00 -1.03 0.00 0.00 54.13 53.59 1xiw s LEU 26 Cb -0.13 -2.01 -0.02 0.00 0.03 0.00 0.00 46.19 44.06 1xiw s LEU 26 CO -0.13 0.38 -0.24 -0.89 0.23 0.00 0.00 176.35 175.71 1xiw s THR 27 N -0.87 1.88 -0.67 5.49 2.01 0.17 -0.88 115.64 122.77 1xiw s THR 27 Ca 0.14 -1.00 0.05 0.00 0.31 0.00 0.00 61.69 61.18 1xiw s THR 27 Cb -0.12 -1.57 0.16 0.00 0.01 0.00 0.00 72.50 70.99 1xiw s THR 27 CO 0.03 0.53 0.46 0.00 -0.69 0.00 0.00 174.62 174.95 1xiw n PRO 29 N 2.16 1.55 0.07 0.00 -0.04 -1.26 -4.25 135.00 133.23 1xiw n PRO 29 Ca 0.17 -0.60 0.13 0.00 -0.04 0.00 0.00 63.50 63.16 1xiw n PRO 29 Cb 0.35 -1.48 0.37 0.00 -0.04 0.00 0.00 33.50 32.69 1xiw n PRO 29 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 1xiw n GLN 30 N 0.15 0.22 -3.17 0.54 6.02 -1.26 -4.39 117.38 115.48 1xiw n GLN 30 Ca 0.08 0.14 -0.21 0.00 -0.01 0.00 0.00 57.00 57.00 1xiw n GLN 30 Cb 0.55 -1.72 -0.04 0.00 1.02 0.00 0.00 30.24 30.05 1xiw n GLN 30 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 177.06 176.71 1xiw n TYR 31 N -2.09 0.69 -1.60 1.08 4.01 -1.26 -4.92 117.16 113.08 1xiw n TYR 31 Ca 0.05 -3.80 -0.52 0.00 -0.16 0.00 0.00 57.90 53.47 1xiw n TYR 31 Cb 0.42 -0.42 -0.06 0.00 -0.31 0.00 0.00 39.34 38.97 1xiw n TYR 31 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1xiw n PRO 32 N 0.51 1.16 0.00 -0.72 -0.04 -1.26 -1.67 135.00 132.98 1xiw n PRO 32 Ca 0.25 0.42 0.00 0.00 -0.04 0.00 0.00 63.50 64.13 1xiw n PRO 32 Cb 0.58 -2.07 0.00 0.00 -0.04 0.00 0.00 33.50 31.98 1xiw n PRO 32 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1xiw n GLY 33 N 2.63 2.62 3.94 0.55 0.00 -1.26 -5.06 105.19 108.62 1xiw n GLY 33 Ca 0.19 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.95 1xiw n GLY 33 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xiw s SER 34 N -1.48 6.34 0.35 1.61 0.01 -0.67 -5.07 113.70 114.79 1xiw s SER 34 Ca 0.00 0.18 -0.27 0.00 1.31 0.00 0.00 55.95 57.18 1xiw s SER 34 Cb 0.00 -1.92 -0.09 0.00 0.21 0.00 0.00 66.02 64.22 1xiw s SER 34 CO 0.00 0.04 1.11 -0.70 0.41 0.00 0.00 173.24 174.10 1xiw s GLU 35 N -3.28 4.34 -0.04 12.44 2.12 -1.26 -4.92 118.70 128.10 1xiw s GLU 35 Ca 0.35 1.75 0.03 0.00 0.36 0.00 0.00 54.97 57.46 1xiw s GLU 35 Cb -0.11 -2.87 -0.03 0.00 0.26 0.00 0.00 34.13 31.38 1xiw s GLU 35 CO 0.29 -0.04 -0.11 0.42 -0.54 0.00 0.00 175.26 175.27 1xiw s ILE 36 N -1.36 3.31 0.18 -3.70 -1.09 -1.26 -1.30 121.20 115.98 1xiw s ILE 36 Ca 0.52 -0.68 0.10 0.00 -2.23 0.00 0.00 60.65 58.36 1xiw s ILE 36 Cb -0.29 -2.34 -0.04 0.00 -1.58 0.00 0.00 42.46 38.21 1xiw s ILE 36 CO 0.37 0.56 -0.21 -0.76 -1.23 0.00 0.00 174.94 173.67 1xiw s LEU 37 N -0.87 2.44 0.13 2.97 1.43 0.10 -4.94 118.68 119.95 1xiw s LEU 37 Ca 0.13 -0.87 0.05 0.00 -1.03 0.00 0.00 54.13 52.40 1xiw s LEU 37 Cb -0.11 -1.01 -0.04 0.00 0.03 0.00 0.00 46.19 45.06 1xiw s LEU 37 CO 0.02 0.05 -0.11 0.26 0.23 0.00 0.00 176.35 176.79 1xiw s TRP 38 N -1.88 1.25 0.02 0.29 0.52 -1.26 -1.31 118.94 116.58 1xiw s TRP 38 Ca 0.19 -0.70 0.00 0.00 0.02 0.00 0.00 56.10 55.62 1xiw s TRP 38 Cb -0.07 -0.65 -0.02 0.00 -1.15 0.00 0.00 33.47 31.58 1xiw s TRP 38 CO 0.09 0.08 -0.04 -0.65 0.02 0.00 0.00 176.95 176.45 1xiw s GLN 39 N -3.34 0.34 -0.10 4.98 -0.21 -0.66 -2.35 119.66 118.31 1xiw s GLN 39 Ca 0.13 -0.60 -0.01 0.00 0.02 0.00 0.00 55.36 54.90 1xiw s GLN 39 Cb -0.00 0.01 0.03 0.00 1.00 0.00 0.00 33.01 34.05 1xiw s GLN 39 CO 0.01 -0.02 -0.05 -1.58 -2.12 0.00 0.00 175.29 171.53 1xiw s HIS 40 N -1.35 1.24 -1.53 0.91 5.65 0.44 -1.82 115.29 118.84 1xiw s HIS 40 Ca -0.14 -0.58 -0.10 0.00 0.25 0.00 0.00 55.06 54.50 1xiw s HIS 40 Cb -0.09 -1.10 0.07 0.00 -1.18 0.00 0.00 32.58 30.28 1xiw s HIS 40 CO -0.01 -0.46 0.71 0.09 -0.65 0.00 0.00 174.74 174.42 1xiw n ASN 41 N 5.00 -2.48 -0.16 9.88 3.02 0.58 -0.77 115.26 130.33 1xiw n ASN 41 Ca -0.11 -0.93 -0.02 0.00 -0.03 0.00 0.00 54.58 53.49 1xiw n ASN 41 Cb 0.50 -3.26 -0.01 0.00 -0.61 0.00 0.00 39.78 36.40 1xiw n ASN 41 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1xiw n ASP 42 N -2.85 -4.51 -4.53 6.41 8.00 -1.26 -5.01 116.55 112.80 1xiw n ASP 42 Ca -0.10 0.05 -0.34 0.00 0.71 0.00 0.00 54.79 55.12 1xiw n ASP 42 Cb 0.58 -2.20 -0.12 0.00 -0.02 0.00 0.00 41.12 39.36 1xiw n ASP 42 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1xiw s LYS 43 N -1.41 3.36 0.26 -1.24 2.20 0.05 -5.07 119.74 117.89 1xiw s LYS 43 Ca 0.00 -0.53 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 1xiw s LYS 43 Cb 0.00 -2.80 -0.10 0.00 -1.51 0.00 0.00 37.83 33.41 1xiw s LYS 43 CO 0.00 0.39 1.48 -0.80 -0.36 0.00 0.00 175.35 176.05 1xiw s ASN 44 N -0.05 6.59 0.11 1.43 0.01 -1.26 -0.42 114.94 121.35 1xiw s ASN 44 Ca 0.01 2.74 -0.06 0.00 -0.71 0.00 0.00 52.86 54.83 1xiw s ASN 44 Cb -0.13 -2.63 -0.02 0.00 0.41 0.00 0.00 41.25 38.89 1xiw s ASN 44 CO 0.03 -0.75 0.16 0.27 -1.51 0.00 0.00 177.10 175.29 1xiw s ILE 45 N -0.02 0.13 0.00 0.60 -4.36 -0.99 -4.87 121.20 111.69 1xiw s ILE 45 Ca 0.60 -1.47 0.00 0.00 -0.26 0.00 0.00 60.65 59.52 1xiw s ILE 45 Cb -0.43 -1.63 0.00 0.00 1.25 0.00 0.00 42.46 41.64 1xiw s ILE 45 CO 0.45 -0.57 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1xiw n GLY 46 N -0.08 0.27 0.00 6.27 0.00 -1.26 -4.07 105.19 106.32 1xiw n GLY 46 Ca -0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.91 1xiw n GLY 46 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xiw n GLY 47 N -1.91 1.29 2.56 -0.02 0.00 -1.26 -4.20 105.19 101.66 1xiw n GLY 47 Ca 0.00 -1.75 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 1xiw n GLY 47 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1xiw n ASP 48 N 0.00 7.03 -0.69 1.61 2.03 -1.26 -4.72 116.55 120.55 1xiw n ASP 48 Ca 0.00 -3.32 0.01 0.00 0.52 0.00 0.00 54.79 52.00 1xiw n ASP 48 Cb 0.00 -1.23 0.06 0.00 -0.72 0.00 0.00 41.12 39.23 1xiw n ASP 48 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1xiw n GLU 49 N 0.77 1.58 0.00 -0.67 4.71 -1.26 -4.90 120.64 120.88 1xiw n GLU 49 Ca 0.52 -0.48 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 1xiw n GLU 49 Cb 0.42 -1.59 0.00 0.00 -1.01 0.00 0.00 31.44 29.25 1xiw n GLU 49 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1xiw n ASP 50 N 0.08 0.00 -4.55 1.62 8.00 -1.26 -4.90 116.55 115.54 1xiw n ASP 50 Ca 0.04 0.00 -0.32 0.00 0.71 0.00 0.00 54.79 55.22 1xiw n ASP 50 Cb 0.38 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.44 1xiw n ASP 50 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1xiw s ASP 51 N 0.00 4.32 0.00 -2.24 -1.08 -1.26 -4.73 116.67 111.68 1xiw s ASP 51 Ca 0.00 0.91 0.08 0.00 -0.52 0.00 0.00 52.55 53.01 1xiw s ASP 51 Cb 0.00 -2.51 0.45 0.00 -1.46 0.00 0.00 42.92 39.40 1xiw s ASP 51 CO 0.00 -3.07 1.23 1.17 0.52 0.00 0.00 175.17 175.01 1xiw n LYS 52 N 8.98 0.93 0.00 4.34 3.00 -1.26 -2.62 118.16 131.52 1xiw n LYS 52 Ca 0.39 0.00 0.12 0.00 -0.00 0.00 0.00 58.31 58.81 1xiw n LYS 52 Cb 0.53 -1.13 0.16 0.00 0.00 0.00 0.00 35.03 34.59 1xiw n LYS 52 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 1xiw n ASN 53 N -0.63 0.71 -4.19 3.14 3.02 -1.26 -4.72 115.26 111.33 1xiw n ASN 53 Ca 0.06 -0.53 -0.36 0.00 -0.03 0.00 0.00 54.58 53.72 1xiw n ASN 53 Cb 0.03 0.44 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 1xiw n ASN 53 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1xiw s ILE 54 N -2.94 3.19 0.02 2.41 1.01 -1.08 -0.29 121.20 123.52 1xiw s ILE 54 Ca 0.12 -1.35 0.05 0.00 0.00 0.00 0.00 60.65 59.47 1xiw s ILE 54 Cb 0.17 -2.84 -0.02 0.00 0.01 0.00 0.00 42.46 39.78 1xiw s ILE 54 CO 0.72 -0.15 -0.16 -0.83 0.00 0.00 0.00 174.94 174.52 1xiw s GLY 55 N 1.31 0.86 -0.08 6.18 0.00 -0.33 -4.76 107.32 110.51 1xiw s GLY 55 Ca -0.04 -0.83 0.04 0.00 0.00 0.00 0.00 44.72 43.89 1xiw s GLY 55 CO -0.00 -0.76 -0.20 -1.35 0.00 0.00 0.00 173.10 170.79 1xiw s SER 56 N -0.86 2.62 -0.10 1.64 1.04 -1.26 0.38 113.70 117.15 1xiw s SER 56 Ca 0.05 -0.46 -0.05 0.00 0.48 0.00 0.00 55.95 55.97 1xiw s SER 56 Cb -0.07 -1.12 0.05 0.00 0.10 0.00 0.00 66.02 64.97 1xiw s SER 56 CO 0.01 0.13 0.23 -1.81 0.98 0.00 0.00 173.24 172.78 1xiw s ASP 57 N 0.37 -0.16 1.30 7.02 1.01 -0.75 -5.02 116.67 120.44 1xiw s ASP 57 Ca -0.15 0.50 0.00 0.00 0.71 0.00 0.00 52.55 53.61 1xiw s ASP 57 Cb -0.16 0.40 0.00 0.00 1.01 0.00 0.00 42.92 44.17 1xiw s ASP 57 CO 0.06 -0.17 0.00 -0.62 0.21 0.00 0.00 175.17 174.65 1xiw n GLU 58 N 4.36 0.00 -0.56 8.23 1.02 -1.26 -1.08 120.64 131.36 1xiw n GLU 58 Ca -0.23 0.00 0.09 0.00 -0.02 0.00 0.00 57.16 56.99 1xiw n GLU 58 Cb 0.52 0.00 0.33 0.00 -0.02 0.00 0.00 31.44 32.27 1xiw n GLU 58 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 1xiw n ASP 59 N 5.17 4.35 -4.69 1.62 5.68 -1.26 -4.39 116.55 123.03 1xiw n ASP 59 Ca 0.00 -2.38 -0.29 0.00 -0.50 0.00 0.00 54.79 51.62 1xiw n ASP 59 Cb 0.00 -0.55 -0.08 0.00 -1.14 0.00 0.00 41.12 39.35 1xiw n ASP 59 CO 0.00 0.00 0.00 -1.00 -1.33 0.00 0.00 177.20 174.87 1xiw s HIS 60 N -1.78 2.97 -0.20 2.11 3.76 -0.24 -0.84 115.29 121.06 1xiw s HIS 60 Ca 0.47 -0.05 -0.00 0.00 -0.15 0.00 0.00 55.06 55.33 1xiw s HIS 60 Cb 0.30 -1.50 0.05 0.00 1.11 0.00 0.00 32.58 32.54 1xiw s HIS 60 CO 0.23 0.49 -0.05 -1.17 -0.85 0.00 0.00 174.74 173.39 1xiw s LEU 61 N -2.50 2.02 -0.25 0.89 2.96 -0.06 -1.82 118.68 119.93 1xiw s LEU 61 Ca 0.26 -0.91 -0.10 0.00 -0.22 0.00 0.00 54.13 53.17 1xiw s LEU 61 Cb -0.11 -1.02 -0.05 0.00 0.50 0.00 0.00 46.19 45.51 1xiw s LEU 61 CO 0.19 -0.21 0.15 -0.44 -1.32 0.00 0.00 176.35 174.72 1xiw s SER 62 N 1.53 5.93 -0.54 3.68 0.01 0.16 -1.03 113.70 123.44 1xiw s SER 62 Ca -0.02 0.03 -0.03 0.00 1.31 0.00 0.00 55.95 57.24 1xiw s SER 62 Cb -0.17 -2.08 0.14 0.00 0.21 0.00 0.00 66.02 64.13 1xiw s SER 62 CO -0.07 0.03 0.35 -0.76 0.41 0.00 0.00 173.24 173.19 1xiw s LEU 63 N 1.29 5.22 0.49 2.44 1.43 0.72 -1.19 118.68 129.08 1xiw s LEU 63 Ca 0.07 -2.56 -0.18 0.00 -1.03 0.00 0.00 54.13 50.43 1xiw s LEU 63 Cb -0.14 -1.84 -0.09 0.00 0.03 0.00 0.00 46.19 44.15 1xiw s LEU 63 CO 0.06 -0.43 0.97 -0.54 0.23 0.00 0.00 176.35 176.65 1xiw s LYS 64 N 0.37 4.02 -1.47 1.70 1.02 0.61 -1.65 119.74 124.34 1xiw s LYS 64 Ca 0.14 0.99 -0.09 0.00 0.02 0.00 0.00 55.97 57.03 1xiw s LYS 64 Cb -0.21 -2.15 0.06 0.00 -0.52 0.00 0.00 37.83 35.00 1xiw s LYS 64 CO -0.04 -0.21 0.83 0.39 -0.92 0.00 0.00 175.35 175.41 1xiw n GLU 65 N -1.34 -4.95 -1.67 1.68 1.02 -0.60 -4.82 120.64 109.96 1xiw n GLU 65 Ca 0.07 0.57 -0.49 0.00 -0.02 0.00 0.00 57.16 57.28 1xiw n GLU 65 Cb 0.54 -5.27 -0.05 0.00 -0.02 0.00 0.00 31.44 26.64 1xiw n GLU 65 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1xiw n PHE 66 N -4.52 2.20 -3.49 -0.32 7.35 -0.09 -4.98 117.46 113.62 1xiw n PHE 66 Ca -0.09 0.21 -0.42 0.00 -0.76 0.00 0.00 57.45 56.38 1xiw n PHE 66 Cb 0.58 -2.57 -0.10 0.00 0.35 0.00 0.00 39.48 37.74 1xiw n PHE 66 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1xiw s SER 67 N 2.75 6.01 0.25 -2.13 0.15 -1.26 -4.77 113.70 114.69 1xiw s SER 67 Ca 0.89 -0.96 -0.03 0.00 0.70 0.00 0.00 55.95 56.54 1xiw s SER 67 Cb -0.76 -2.13 0.48 0.00 -1.71 0.00 0.00 66.02 61.90 1xiw s SER 67 CO 0.49 -0.45 1.74 -0.08 1.20 0.00 0.00 173.24 176.14 1xiw h GLU 68 N 8.59 0.47 -0.20 5.44 4.81 -1.93 0.79 114.58 132.54 1xiw h GLU 68 Ca -0.27 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 58.88 1xiw h GLU 68 Cb 1.11 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.38 1xiw h GLU 68 CO 0.72 0.31 -0.08 1.25 -0.73 0.00 0.00 179.01 180.48 1xiw h LEU 69 N 0.49 0.42 0.00 1.64 5.85 -1.93 -2.56 115.31 119.21 1xiw h LEU 69 Ca 0.43 -0.40 -0.11 0.00 0.84 0.00 0.00 57.88 58.64 1xiw h LEU 69 Cb 0.63 -0.12 -0.02 0.00 0.37 0.00 0.00 40.66 41.53 1xiw h LEU 69 CO -0.39 0.72 -1.08 -0.33 -0.34 0.00 0.00 178.44 177.02 1xiw h GLU 70 N 0.11 0.00 -0.17 1.25 5.08 -1.90 -3.39 114.58 115.56 1xiw h GLU 70 Ca 0.05 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.41 1xiw h GLU 70 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1xiw h GLU 70 CO 0.03 0.25 0.00 1.04 -1.00 0.00 0.00 179.01 179.33 1xiw n GLN 71 N -2.92 2.34 -1.96 2.33 6.02 0.27 -4.98 117.38 118.48 1xiw n GLN 71 Ca -0.05 -1.64 -0.29 0.00 -0.01 0.00 0.00 57.00 55.02 1xiw n GLN 71 Cb 0.74 -1.15 0.07 0.00 1.02 0.00 0.00 30.24 30.92 1xiw n GLN 71 CO 0.00 0.00 0.00 -1.12 -1.01 0.00 0.00 177.06 174.93 1xiw s SER 72 N -0.91 4.85 0.00 1.08 0.01 -0.96 -4.95 113.70 112.81 1xiw s SER 72 Ca 0.12 0.83 0.00 0.00 1.31 0.00 0.00 55.95 58.21 1xiw s SER 72 Cb 0.07 -1.45 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1xiw s SER 72 CO 0.09 -1.68 0.00 0.61 0.41 0.00 0.00 173.24 172.67 1xiw n GLY 73 N -3.15 0.57 3.73 3.44 0.00 0.97 -4.95 105.19 105.80 1xiw n GLY 73 Ca 0.08 -2.17 -0.39 0.00 0.00 0.00 0.00 46.02 43.53 1xiw n GLY 73 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xiw s TYR 74 N -0.79 3.58 -0.01 1.61 2.02 -1.26 -0.42 117.35 122.09 1xiw s TYR 74 Ca 0.00 1.15 0.06 0.00 -0.37 0.00 0.00 57.07 57.91 1xiw s TYR 74 Cb 0.00 -2.70 -0.02 0.00 -0.40 0.00 0.00 41.96 38.85 1xiw s TYR 74 CO 0.00 0.16 -0.19 0.71 -1.57 0.00 0.00 175.55 174.67 1xiw s TYR 75 N 0.54 1.65 -0.02 2.71 2.02 0.10 -0.30 117.35 124.05 1xiw s TYR 75 Ca 0.33 -0.32 -0.02 0.00 -0.37 0.00 0.00 57.07 56.70 1xiw s TYR 75 Cb -0.17 -1.06 0.01 0.00 -0.40 0.00 0.00 41.96 40.34 1xiw s TYR 75 CO 0.16 -0.02 0.05 0.54 -1.57 0.00 0.00 175.55 174.71 1xiw s VAL 76 N -0.47 -0.01 0.16 0.71 0.11 -0.76 -0.62 120.40 119.53 1xiw s VAL 76 Ca 0.07 0.03 0.10 0.00 -2.93 0.00 0.00 61.98 59.24 1xiw s VAL 76 Cb -0.07 -0.08 -0.04 0.00 -1.53 0.00 0.00 36.38 34.65 1xiw s VAL 76 CO -0.00 0.01 -0.17 0.00 -3.33 0.00 0.00 175.10 171.60 1xiw s TYR 78 N -1.47 -0.34 0.47 0.00 -0.85 -0.43 -4.97 117.35 109.76 1xiw s TYR 78 Ca 0.21 0.44 -0.16 0.00 -0.52 0.00 0.00 57.07 57.04 1xiw s TYR 78 Cb -0.09 0.24 -0.08 0.00 0.38 0.00 0.00 41.96 42.41 1xiw s TYR 78 CO 0.11 -0.54 0.92 -1.25 -1.52 0.00 0.00 175.55 173.27 1xiw s PRO 79 N -1.95 3.96 0.27 -3.49 0.04 -1.26 -0.72 135.00 131.85 1xiw s PRO 79 Ca -0.08 0.86 -0.30 0.00 0.04 0.00 0.00 61.00 61.52 1xiw s PRO 79 Cb -0.02 -2.21 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 1xiw s PRO 79 CO 0.02 -0.16 1.35 -2.13 0.04 0.00 0.00 177.00 176.12 1xiw n ARG 80 N -1.30 2.00 0.00 4.56 3.00 -0.42 -1.12 116.66 123.38 1xiw n ARG 80 Ca 0.06 0.71 0.00 0.00 -0.00 0.00 0.00 57.85 58.61 1xiw n ARG 80 Cb 0.54 -2.32 0.00 0.00 0.00 0.00 0.00 32.46 30.68 1xiw n ARG 80 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1xiw n GLY 81 N 1.73 3.03 4.00 5.14 0.00 -1.26 -4.91 105.19 112.92 1xiw n GLY 81 Ca 0.10 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 45.94 1xiw n GLY 81 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xiw s SER 82 N -1.03 5.58 -0.02 1.61 0.01 -0.28 -5.13 113.70 114.44 1xiw s SER 82 Ca 0.00 -0.47 0.08 0.00 1.31 0.00 0.00 55.95 56.87 1xiw s SER 82 Cb 0.00 -0.60 -0.02 0.00 0.21 0.00 0.00 66.02 65.61 1xiw s SER 82 CO 0.00 -0.78 -0.25 -0.54 0.41 0.00 0.00 173.24 172.08 1xiw s LYS 83 N -4.35 2.05 0.34 12.44 -0.14 -1.26 -4.91 119.74 123.91 1xiw s LYS 83 Ca 0.55 -0.89 0.06 0.00 -1.36 0.00 0.00 55.97 54.33 1xiw s LYS 83 Cb -0.09 -1.97 0.73 0.00 -1.68 0.00 0.00 37.83 34.82 1xiw s LYS 83 CO 0.33 0.53 1.89 -1.35 -0.76 0.00 0.00 175.35 175.99 1xiw h PRO 84 N 5.55 0.77 0.00 -1.68 0.11 -1.97 -1.09 132.00 133.69 1xiw h PRO 84 Ca -0.42 -0.05 -0.00 0.00 0.11 0.00 0.00 66.00 65.65 1xiw h PRO 84 Cb 1.13 -0.17 -0.00 0.00 0.11 0.00 0.00 31.00 32.06 1xiw h PRO 84 CO 0.47 0.51 -0.01 1.05 -0.21 0.00 0.00 178.00 179.81 1xiw h GLU 85 N 0.79 0.00 0.00 1.05 9.09 -2.03 -1.54 114.58 121.93 1xiw h GLU 85 Ca 0.41 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.82 1xiw h GLU 85 Cb 0.51 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.61 1xiw h GLU 85 CO -0.18 0.01 -0.90 -0.25 0.05 0.00 0.00 179.01 177.75 1xiw n ASP 86 N -3.60 0.63 -4.76 3.06 8.00 -0.42 -4.91 116.55 114.55 1xiw n ASP 86 Ca -0.03 -0.17 -0.41 0.00 0.71 0.00 0.00 54.79 54.89 1xiw n ASP 86 Cb 0.10 0.62 -0.02 0.00 -0.02 0.00 0.00 41.12 41.81 1xiw n ASP 86 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1xiw s ALA 87 N -3.17 3.61 -0.00 2.24 0.00 -0.58 -4.90 121.76 118.96 1xiw s ALA 87 Ca 0.05 1.43 0.00 0.00 0.00 0.00 0.00 51.96 53.44 1xiw s ALA 87 Cb 0.14 -3.57 0.01 0.00 0.00 0.00 0.00 23.12 19.70 1xiw s ALA 87 CO 0.78 -0.85 0.66 0.27 0.00 0.00 0.00 175.76 176.61 1xiw n ASN 88 N 1.48 0.42 -3.93 0.00 0.23 -1.26 -4.98 115.26 107.21 1xiw n ASN 88 Ca 0.04 -1.34 -0.30 0.00 -0.53 0.00 0.00 54.58 52.45 1xiw n ASN 88 Cb 0.40 -0.03 -0.15 0.00 -2.08 0.00 0.00 39.78 37.91 1xiw n ASN 88 CO 0.00 0.00 0.00 0.12 -0.93 0.00 0.00 177.26 176.45 1xiw s PHE 89 N -0.25 2.67 0.20 -2.53 5.36 -1.26 -5.12 117.98 117.04 1xiw s PHE 89 Ca 0.01 -2.09 0.07 0.00 -0.96 0.00 0.00 56.93 53.95 1xiw s PHE 89 Cb 0.01 -1.95 -0.04 0.00 -0.34 0.00 0.00 43.02 40.70 1xiw s PHE 89 CO 0.00 -0.84 0.08 0.71 -1.46 0.00 0.00 175.22 173.70 1xiw s TYR 90 N 1.29 2.96 -0.14 10.12 2.02 -1.26 -4.64 117.35 127.71 1xiw s TYR 90 Ca 0.01 -0.11 -0.03 0.00 -0.37 0.00 0.00 57.07 56.57 1xiw s TYR 90 Cb -0.19 -1.40 -0.03 0.00 -0.40 0.00 0.00 41.96 39.95 1xiw s TYR 90 CO -0.10 0.53 -0.05 -1.17 -1.57 0.00 0.00 175.55 173.19 1xiw s LEU 91 N -3.25 3.16 -0.35 -1.29 2.96 0.21 -4.96 118.68 115.17 1xiw s LEU 91 Ca 0.30 -0.15 -0.05 0.00 -0.22 0.00 0.00 54.13 54.01 1xiw s LEU 91 Cb -0.09 -1.75 0.06 0.00 0.50 0.00 0.00 46.19 44.91 1xiw s LEU 91 CO 0.21 0.19 0.11 -0.47 -1.32 0.00 0.00 176.35 175.07 1xiw s TYR 92 N 0.24 3.31 -0.20 5.38 5.04 -1.26 -0.72 117.35 129.14 1xiw s TYR 92 Ca -0.04 -1.67 -0.09 0.00 -2.44 0.00 0.00 57.07 52.83 1xiw s TYR 92 Cb -0.14 -2.43 -0.04 0.00 0.35 0.00 0.00 41.96 39.70 1xiw s TYR 92 CO 0.03 -0.79 0.10 -1.17 -1.34 0.00 0.00 175.55 172.38 1xiw s LEU 93 N 1.33 3.99 -0.21 6.97 2.96 0.44 -4.93 118.68 129.23 1xiw s LEU 93 Ca -0.01 0.14 -0.04 0.00 -0.22 0.00 0.00 54.13 54.00 1xiw s LEU 93 Cb -0.20 -2.03 0.07 0.00 0.50 0.00 0.00 46.19 44.53 1xiw s LEU 93 CO 0.01 0.16 0.09 -0.13 -1.32 0.00 0.00 176.35 175.16 1xiw s ARG 94 N 0.45 0.26 -0.06 1.98 1.81 -1.26 -0.02 118.95 122.10 1xiw s ARG 94 Ca 0.05 -0.32 -0.09 0.00 -1.72 0.00 0.00 55.73 53.66 1xiw s ARG 94 Cb -0.12 -1.75 0.02 0.00 -0.45 0.00 0.00 34.95 32.65 1xiw s ARG 94 CO -0.00 -0.76 0.23 0.00 -0.68 0.00 0.00 175.30 174.08 1xiw s ALA 95 N 2.04 -0.56 -0.05 2.13 0.00 -1.26 -5.10 121.76 118.96 1xiw s ALA 95 Ca 0.03 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.46 1xiw s ALA 95 Cb -0.16 -0.23 -0.03 0.00 0.00 0.00 0.00 23.12 22.69 1xiw s ALA 95 CO -0.16 -0.15 -0.02 1.03 0.00 0.00 0.00 175.76 176.46 1xiw s ARG 96 N -0.36 2.84 -0.51 0.00 0.52 -1.26 -4.23 118.95 115.95 1xiw s ARG 96 Ca -0.05 -0.52 -0.10 0.00 -0.52 0.00 0.00 55.73 54.54 1xiw s ARG 96 Cb -0.03 -2.69 0.13 0.00 0.52 0.00 0.00 34.95 32.87 1xiw s ARG 96 CO 0.01 0.67 0.41 0.08 0.02 0.00 0.00 175.30 176.48 1xiw s VAL 97 N -0.93 4.46 -2.73 3.52 1.01 -1.26 -5.09 120.40 119.38 1xiw s VAL 97 Ca 0.15 -1.84 0.26 0.00 0.00 0.00 0.00 61.98 60.55 1xiw s VAL 97 Cb -0.11 -3.91 0.39 0.00 0.00 0.00 0.00 36.38 32.75 1xiw s VAL 97 CO 0.05 -0.82 1.53 0.00 0.00 0.00 0.00 175.10 175.86