#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwd s GLU 4 N 0.00 1.29 0.14 0.00 1.03 -0.84 -4.78 118.70 115.55 1xwd s GLU 4 Ca 0.00 -1.36 -0.31 0.00 0.03 0.00 0.00 54.97 53.33 1xwd s GLU 4 Cb 0.00 0.37 -0.09 0.00 -0.80 0.00 0.00 34.13 33.61 1xwd s GLU 4 CO 0.00 -0.48 1.51 -0.51 -1.33 0.00 0.00 175.26 174.45 1xwd s LEU 5 N -3.05 4.37 0.16 1.83 1.43 -1.26 -2.93 118.68 119.23 1xwd s LEU 5 Ca 0.26 2.51 0.07 0.00 -1.03 0.00 0.00 54.13 55.94 1xwd s LEU 5 Cb 0.03 -3.59 -0.04 0.00 0.03 0.00 0.00 46.19 42.62 1xwd s LEU 5 CO 0.07 -0.77 -0.14 0.42 0.23 0.00 0.00 176.35 176.16 1xwd s THR 6 N 1.17 1.53 -0.07 5.49 -4.23 0.22 -4.95 115.64 114.79 1xwd s THR 6 Ca 0.68 -1.95 -0.24 0.00 -1.18 0.00 0.00 61.69 59.00 1xwd s THR 6 Cb -0.41 -1.79 -0.03 0.00 1.34 0.00 0.00 72.50 71.60 1xwd s THR 6 CO 0.31 -0.49 0.71 0.20 -0.54 0.00 0.00 174.62 174.80 1xwd s ASN 7 N -2.85 6.99 0.26 3.99 0.01 -1.26 -0.30 114.94 121.76 1xwd s ASN 7 Ca 0.15 1.19 0.03 0.00 -0.71 0.00 0.00 52.86 53.52 1xwd s ASN 7 Cb -0.03 -2.42 -0.05 0.00 0.41 0.00 0.00 41.25 39.16 1xwd s ASN 7 CO 0.05 -0.14 0.04 0.27 -1.51 0.00 0.00 177.10 175.81 1xwd s ILE 8 N 0.91 0.91 -0.24 0.60 -4.36 -0.37 -4.92 121.20 113.72 1xwd s ILE 8 Ca 0.38 -2.01 -0.02 0.00 -0.26 0.00 0.00 60.65 58.73 1xwd s ILE 8 Cb -0.18 -2.51 0.02 0.00 1.25 0.00 0.00 42.46 41.04 1xwd s ILE 8 CO 0.18 -0.17 -0.06 -0.89 0.24 0.00 0.00 174.94 174.24 1xwd s THR 9 N -3.51 2.96 0.09 8.37 2.01 -1.26 -1.04 115.64 123.26 1xwd s THR 9 Ca 0.33 -0.93 0.02 0.00 0.31 0.00 0.00 61.69 61.41 1xwd s THR 9 Cb 0.07 -2.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.07 1xwd s THR 9 CO 0.11 0.24 0.16 0.27 -0.69 0.00 0.00 174.62 174.70 1xwd s ILE 10 N 1.35 4.91 -0.16 1.82 -4.36 -0.35 -3.54 121.20 120.86 1xwd s ILE 10 Ca 0.01 -0.68 -0.05 0.00 -0.26 0.00 0.00 60.65 59.67 1xwd s ILE 10 Cb -0.16 -3.41 -0.03 0.00 1.25 0.00 0.00 42.46 40.10 1xwd s ILE 10 CO -0.04 0.07 0.01 0.00 0.24 0.00 0.00 174.94 175.22 1xwd s ALA 11 N -1.52 3.20 -0.21 2.27 0.00 -1.12 -1.38 121.76 123.00 1xwd s ALA 11 Ca 0.32 -0.78 -0.05 0.00 0.00 0.00 0.00 51.96 51.45 1xwd s ALA 11 Cb -0.12 -1.72 -0.02 0.00 0.00 0.00 0.00 23.12 21.25 1xwd s ALA 11 CO 0.25 0.22 0.01 0.42 0.00 0.00 0.00 175.76 176.65 1xwd s ILE 12 N 0.31 3.99 -0.06 0.00 1.01 -0.37 -4.76 121.20 121.32 1xwd s ILE 12 Ca -0.00 -0.30 0.04 0.00 0.00 0.00 0.00 60.65 60.39 1xwd s ILE 12 Cb -0.13 -2.82 -0.02 0.00 0.01 0.00 0.00 42.46 39.50 1xwd s ILE 12 CO 0.02 0.42 -0.17 -1.83 0.00 0.00 0.00 174.94 173.37 1xwd s GLU 13 N 1.11 2.56 -0.37 2.79 -1.05 -1.26 -0.29 118.70 122.18 1xwd s GLU 13 Ca 0.03 -0.75 -0.13 0.00 -0.15 0.00 0.00 54.97 53.97 1xwd s GLU 13 Cb -0.14 -2.34 0.01 0.00 -0.44 0.00 0.00 34.13 31.21 1xwd s GLU 13 CO 0.02 0.54 0.24 0.21 0.95 0.00 0.00 175.26 177.22 1xwd s LYS 14 N -0.53 3.16 0.06 -4.83 2.20 0.10 -4.97 119.74 114.94 1xwd s LYS 14 Ca 0.07 -0.87 -0.29 0.00 -0.36 0.00 0.00 55.97 54.52 1xwd s LYS 14 Cb -0.11 -3.82 -0.17 0.00 -1.51 0.00 0.00 37.83 32.21 1xwd s LYS 14 CO 0.01 -0.60 1.58 1.49 -0.36 0.00 0.00 175.35 177.47 1xwd h GLU 15 N 8.51 -0.55 -0.99 4.03 4.57 -1.99 -2.50 114.58 125.66 1xwd h GLU 15 Ca -0.29 0.04 0.14 0.00 -1.18 0.00 0.00 59.36 58.07 1xwd h GLU 15 Cb 1.13 0.12 -0.09 0.00 -0.16 0.00 0.00 28.75 29.76 1xwd h GLU 15 CO 0.67 -0.33 0.62 1.05 -1.18 0.00 0.00 179.01 179.84 1xwd h GLU 16 N -0.64 0.87 -0.01 1.92 9.09 -1.95 -2.23 114.58 121.63 1xwd h GLU 16 Ca -0.06 -0.05 0.00 0.00 0.05 0.00 0.00 59.36 59.30 1xwd h GLU 16 Cb 0.47 -0.20 0.00 0.00 -1.65 0.00 0.00 28.75 27.38 1xwd h GLU 16 CO 0.10 0.58 -0.08 0.00 0.05 0.00 0.00 179.01 179.65 1xwd n ARG 18 N -0.30 -5.07 -4.03 0.00 1.74 -0.84 -4.99 116.66 103.18 1xwd n ARG 18 Ca 0.17 0.73 -0.10 0.00 -0.77 0.00 0.00 57.85 57.88 1xwd n ARG 18 Cb 0.32 -5.59 -0.06 0.00 -1.02 0.00 0.00 32.46 26.11 1xwd n ARG 18 CO 0.00 0.00 0.00 -0.59 -1.52 0.00 0.00 177.63 175.52 1xwd s PHE 19 N -3.16 0.52 0.20 -1.55 -0.12 -1.13 -4.86 117.98 107.88 1xwd s PHE 19 Ca 0.43 -0.86 0.11 0.00 -0.05 0.00 0.00 56.93 56.57 1xwd s PHE 19 Cb -0.21 0.09 -0.04 0.00 -0.63 0.00 0.00 43.02 42.23 1xwd s PHE 19 CO 0.54 -0.98 -0.23 0.00 -0.05 0.00 0.00 175.22 174.50 1xwd s ILE 21 N -1.80 3.23 -0.12 0.00 -4.36 0.60 -4.94 121.20 113.81 1xwd s ILE 21 Ca 0.21 -1.35 -0.13 0.00 -0.26 0.00 0.00 60.65 59.12 1xwd s ILE 21 Cb -0.07 -2.51 -0.05 0.00 1.25 0.00 0.00 42.46 41.08 1xwd s ILE 21 CO 0.10 0.09 0.28 -0.44 0.24 0.00 0.00 174.94 175.21 1xwd s SER 22 N -2.24 6.49 -0.05 4.36 0.01 -1.26 -1.24 113.70 119.78 1xwd s SER 22 Ca 0.21 0.58 0.03 0.00 1.31 0.00 0.00 55.95 58.08 1xwd s SER 22 Cb -0.11 -2.17 0.00 0.00 0.21 0.00 0.00 66.02 63.96 1xwd s SER 22 CO 0.13 0.21 -0.14 -0.63 0.41 0.00 0.00 173.24 173.22 1xwd s ILE 23 N -0.14 1.18 -0.13 1.44 1.01 -0.48 -5.00 121.20 119.08 1xwd s ILE 23 Ca 0.17 -0.55 -0.27 0.00 0.00 0.00 0.00 60.65 60.01 1xwd s ILE 23 Cb -0.13 -1.04 -0.02 0.00 0.01 0.00 0.00 42.46 41.28 1xwd s ILE 23 CO 0.06 0.35 0.88 0.20 0.00 0.00 0.00 174.94 176.43 1xwd s ASN 24 N 0.30 7.08 0.00 3.58 -0.87 -1.26 -1.21 114.94 122.55 1xwd s ASN 24 Ca -0.08 1.32 0.00 0.00 -1.57 0.00 0.00 52.86 52.53 1xwd s ASN 24 Cb -0.12 -2.49 0.00 0.00 -0.02 0.00 0.00 41.25 38.62 1xwd s ASN 24 CO 0.02 -0.37 0.00 1.07 -2.57 0.00 0.00 177.10 175.25 1xwd n THR 25 N 4.51 0.00 -4.07 1.60 5.66 -0.21 -5.00 114.28 116.77 1xwd n THR 25 Ca 0.05 0.00 -0.29 0.00 -3.05 0.00 0.00 64.05 60.76 1xwd n THR 25 Cb 0.49 0.00 -0.17 0.00 -1.55 0.00 0.00 70.33 69.11 1xwd n THR 25 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 175.07 171.13 1xwd s THR 26 N -2.09 1.43 0.00 1.09 2.01 -1.26 -1.24 115.64 115.59 1xwd s THR 26 Ca 0.00 -0.56 0.00 0.00 0.31 0.00 0.00 61.69 61.44 1xwd s THR 26 Cb 0.00 -1.36 0.00 0.00 0.01 0.00 0.00 72.50 71.15 1xwd s THR 26 CO 0.00 0.43 0.00 0.79 -0.69 0.00 0.00 174.62 175.15 1xwd n TRP 27 N 4.71 0.00 -4.07 4.92 7.02 0.59 -2.19 117.44 128.41 1xwd n TRP 27 Ca -0.16 0.00 -0.34 0.00 -1.02 0.00 0.00 57.50 55.98 1xwd n TRP 27 Cb 0.50 0.00 -0.07 0.00 -2.42 0.00 0.00 31.31 29.32 1xwd n TRP 27 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 1xwd s ALA 29 N -1.15 -1.96 0.00 0.00 0.00 -1.15 -4.89 121.76 112.60 1xwd s ALA 29 Ca 0.21 1.56 0.00 0.00 0.00 0.00 0.00 51.96 53.74 1xwd s ALA 29 Cb -0.12 -0.63 0.00 0.00 0.00 0.00 0.00 23.12 22.37 1xwd s ALA 29 CO 0.12 -0.37 0.00 0.41 0.00 0.00 0.00 175.76 175.91 1xwd n GLY 30 N 0.49 0.81 3.67 0.00 0.00 -1.26 -1.99 105.19 106.91 1xwd n GLY 30 Ca -0.07 -1.84 -0.29 0.00 0.00 0.00 0.00 46.02 43.81 1xwd n GLY 30 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwd s TYR 31 N -2.79 2.92 -0.01 1.61 1.51 -1.26 -4.69 117.35 114.63 1xwd s TYR 31 Ca 0.00 -0.07 -0.05 0.00 -1.01 0.00 0.00 57.07 55.93 1xwd s TYR 31 Cb 0.00 -1.48 0.00 0.00 -0.11 0.00 0.00 41.96 40.37 1xwd s TYR 31 CO 0.00 0.48 0.11 0.00 -1.11 0.00 0.00 175.55 175.03 1xwd s TYR 33 N -0.96 3.70 -0.05 0.00 5.04 -1.26 -5.04 117.35 118.77 1xwd s TYR 33 Ca -0.10 1.57 -0.22 0.00 -2.44 0.00 0.00 57.07 55.88 1xwd s TYR 33 Cb -0.06 -2.75 0.05 0.00 0.35 0.00 0.00 41.96 39.54 1xwd s TYR 33 CO 0.01 0.31 0.48 0.95 -1.34 0.00 0.00 175.55 175.96 1xwd s THR 34 N -1.52 0.03 0.30 4.34 -4.23 -1.26 -4.48 115.64 108.82 1xwd s THR 34 Ca 0.45 -0.22 0.09 0.00 -1.18 0.00 0.00 61.69 60.82 1xwd s THR 34 Cb -0.18 -0.78 -0.06 0.00 1.34 0.00 0.00 72.50 72.82 1xwd s THR 34 CO 0.23 -0.12 -0.11 0.00 -0.54 0.00 0.00 174.62 174.08 1xwd s ARG 35 N -1.05 1.65 -0.24 3.99 1.70 -1.26 -5.12 118.95 118.62 1xwd s ARG 35 Ca -0.11 -1.82 0.01 0.00 -0.47 0.00 0.00 55.73 53.34 1xwd s ARG 35 Cb -0.03 -1.46 0.04 0.00 -0.57 0.00 0.00 34.95 32.93 1xwd s ARG 35 CO 0.06 0.14 -0.11 0.34 -1.08 0.00 0.00 175.30 174.65 1xwd s ASP 36 N -3.50 4.16 0.64 -2.89 2.15 -1.26 -4.98 116.67 111.00 1xwd s ASP 36 Ca 0.30 -1.08 -0.17 0.00 0.43 0.00 0.00 52.55 52.02 1xwd s ASP 36 Cb 0.01 -1.58 -0.06 0.00 -0.30 0.00 0.00 42.92 40.99 1xwd s ASP 36 CO 0.14 -0.14 0.52 0.18 -0.17 0.00 0.00 175.17 175.70 1xwd n LEU 37 N 4.55 0.81 -0.02 -1.34 4.77 -1.26 -4.95 117.00 119.57 1xwd n LEU 37 Ca -0.16 0.67 0.00 0.00 -0.03 0.00 0.00 56.01 56.49 1xwd n LEU 37 Cb 0.45 -1.19 -0.05 0.00 -2.33 0.00 0.00 43.42 40.30 1xwd n LEU 37 CO 0.24 -3.08 -0.64 0.52 -1.33 0.00 0.00 177.39 173.10 1xwd n VAL 38 N -2.01 0.22 -4.74 4.08 0.31 -1.26 -4.97 118.33 109.95 1xwd n VAL 38 Ca 0.11 -0.21 -0.33 0.00 -0.01 0.00 0.00 64.34 63.90 1xwd n VAL 38 Cb 0.49 -0.25 -0.14 0.00 -0.91 0.00 0.00 33.84 33.03 1xwd n VAL 38 CO 0.00 0.00 0.00 -0.47 -1.32 0.00 0.00 176.83 175.04 1xwd s TYR 39 N -2.31 2.83 -0.28 3.52 5.04 -1.26 -5.11 117.35 119.77 1xwd s TYR 39 Ca -0.03 -0.44 -0.05 0.00 -2.44 0.00 0.00 57.07 54.11 1xwd s TYR 39 Cb 0.03 -1.80 0.02 0.00 0.35 0.00 0.00 41.96 40.56 1xwd s TYR 39 CO 0.27 -0.06 0.04 0.21 -1.34 0.00 0.00 175.55 174.67 1xwd s LYS 40 N 0.02 2.96 -0.41 4.97 2.36 -1.26 -5.05 119.74 123.34 1xwd s LYS 40 Ca -0.03 -0.93 -0.12 0.00 -2.55 0.00 0.00 55.97 52.34 1xwd s LYS 40 Cb -0.14 -3.25 0.05 0.00 -1.05 0.00 0.00 37.83 33.44 1xwd s LYS 40 CO 0.04 -0.45 0.26 0.34 1.55 0.00 0.00 175.35 177.09 1xwd s ASP 41 N 1.43 5.81 0.48 1.43 -1.08 -1.26 -4.95 116.67 118.53 1xwd s ASP 41 Ca 0.01 -1.20 0.24 0.00 -0.52 0.00 0.00 52.55 51.08 1xwd s ASP 41 Cb -0.17 -2.05 1.29 0.00 -1.46 0.00 0.00 42.92 40.52 1xwd s ASP 41 CO 0.00 -0.48 1.69 -0.65 0.52 0.00 0.00 175.17 176.25 1xwd h PRO 42 N 8.50 0.00 0.00 4.34 0.11 -2.02 0.34 132.00 143.27 1xwd h PRO 42 Ca -0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1xwd h PRO 42 Cb 1.10 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.21 1xwd h PRO 42 CO 0.74 0.00 -1.07 0.00 -0.21 0.00 0.00 178.00 177.45 1xwd n ALA 43 N -1.77 2.99 -2.32 -0.75 0.00 -1.26 -4.36 120.51 113.06 1xwd n ALA 43 Ca -0.02 -0.34 -0.28 0.00 0.00 0.00 0.00 53.44 52.80 1xwd n ALA 43 Cb 0.27 -1.02 0.01 0.00 0.00 0.00 0.00 19.45 18.71 1xwd n ALA 43 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 1xwd n ARG 44 N -2.24 3.35 -0.82 0.00 0.63 0.12 -5.10 116.66 112.60 1xwd n ARG 44 Ca 0.01 -4.31 -0.34 0.00 -0.92 0.00 0.00 57.85 52.29 1xwd n ARG 44 Cb 0.49 -2.26 0.11 0.00 0.45 0.00 0.00 32.46 31.25 1xwd n ARG 44 CO 0.00 0.00 0.00 -2.30 -2.51 0.00 0.00 177.63 172.82 1xwd n PRO 45 N -0.53 -0.61 -1.43 -0.14 -0.02 -1.21 -4.73 135.00 126.34 1xwd n PRO 45 Ca 0.42 -0.16 -0.31 0.00 -2.02 0.00 0.00 63.50 61.43 1xwd n PRO 45 Cb 0.65 -1.52 0.07 0.00 -0.02 0.00 0.00 33.50 32.68 1xwd n PRO 45 CO 0.00 0.00 0.00 -1.59 1.98 0.00 0.00 175.50 175.89 1xwd s LYS 46 N -3.03 2.59 -0.00 -0.52 -2.85 -1.26 -5.09 119.74 109.58 1xwd s LYS 46 Ca 0.50 1.04 0.01 0.00 -1.00 0.00 0.00 55.97 56.52 1xwd s LYS 46 Cb -0.13 -1.94 0.00 0.00 -2.06 0.00 0.00 37.83 33.70 1xwd s LYS 46 CO 0.70 -1.37 -0.02 0.42 0.10 0.00 0.00 175.35 175.17 1xwd s ILE 47 N -2.98 0.20 0.10 3.79 1.01 -1.26 -5.16 121.20 116.89 1xwd s ILE 47 Ca 0.60 -0.09 0.08 0.00 0.00 0.00 0.00 60.65 61.23 1xwd s ILE 47 Cb -0.15 -0.18 -0.03 0.00 0.01 0.00 0.00 42.46 42.10 1xwd s ILE 47 CO 0.55 0.06 -0.20 -1.10 0.00 0.00 0.00 174.94 174.26 1xwd s GLN 48 N 0.02 1.08 0.06 2.79 -0.21 -1.26 -4.80 119.66 117.35 1xwd s GLN 48 Ca 0.00 -1.12 0.08 0.00 0.02 0.00 0.00 55.36 54.34 1xwd s GLN 48 Cb -0.02 -1.30 -0.03 0.00 1.00 0.00 0.00 33.01 32.66 1xwd s GLN 48 CO -0.00 0.30 -0.22 0.15 -2.12 0.00 0.00 175.29 173.40 1xwd s LYS 49 N -1.86 1.37 0.23 2.91 1.02 -1.26 -4.69 119.74 117.46 1xwd s LYS 49 Ca 0.05 -1.04 0.09 0.00 0.02 0.00 0.00 55.97 55.10 1xwd s LYS 49 Cb -0.10 -1.55 -0.05 0.00 -0.52 0.00 0.00 37.83 35.61 1xwd s LYS 49 CO 0.04 0.39 -0.17 -0.08 -0.92 0.00 0.00 175.35 174.61 1xwd s THR 50 N -0.90 2.02 0.02 2.17 -1.32 0.23 -4.81 115.64 113.05 1xwd s THR 50 Ca 0.08 -2.29 -0.30 0.00 -1.21 0.00 0.00 61.69 57.97 1xwd s THR 50 Cb -0.09 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.72 1xwd s THR 50 CO 0.03 -0.52 1.06 0.00 -2.21 0.00 0.00 174.62 172.98 1xwd s THR 52 N 1.09 0.00 0.47 0.00 -1.32 -0.77 -4.91 115.64 110.20 1xwd s THR 52 Ca 0.54 -0.45 -0.21 0.00 -1.21 0.00 0.00 61.69 60.36 1xwd s THR 52 Cb -0.24 -2.56 -0.09 0.00 -1.51 0.00 0.00 72.50 68.11 1xwd s THR 52 CO 0.28 0.00 1.04 0.72 -2.21 0.00 0.00 174.62 174.45 1xwd s PHE 53 N -2.40 3.06 -0.21 9.09 -0.71 -1.26 -1.13 117.98 124.42 1xwd s PHE 53 Ca 0.20 1.59 0.08 0.00 -1.04 0.00 0.00 56.93 57.76 1xwd s PHE 53 Cb -0.00 -3.07 -0.18 0.00 -1.21 0.00 0.00 43.02 38.55 1xwd s PHE 53 CO 0.02 -0.76 -0.09 1.17 -1.34 0.00 0.00 175.22 174.22 1xwd n LYS 54 N -0.77 0.80 -3.80 1.99 4.81 0.25 -4.74 118.16 116.69 1xwd n LYS 54 Ca 0.08 0.07 -0.12 0.00 -0.87 0.00 0.00 58.31 57.47 1xwd n LYS 54 Cb 0.52 -1.46 -0.10 0.00 0.02 0.00 0.00 35.03 34.01 1xwd n LYS 54 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1xwd s GLU 55 N -2.45 0.43 0.05 1.64 0.41 -1.16 -5.00 118.70 112.62 1xwd s GLU 55 Ca -0.21 0.03 -0.06 0.00 -0.41 0.00 0.00 54.97 54.32 1xwd s GLU 55 Cb 0.07 0.19 -0.01 0.00 -1.78 0.00 0.00 34.13 32.60 1xwd s GLU 55 CO 0.62 -0.09 0.11 -0.48 -0.49 0.00 0.00 175.26 174.93 1xwd s LEU 56 N -0.60 1.80 0.21 1.80 2.34 -1.26 -0.23 118.68 122.74 1xwd s LEU 56 Ca -0.07 -0.64 0.05 0.00 0.06 0.00 0.00 54.13 53.52 1xwd s LEU 56 Cb -0.04 0.67 -0.05 0.00 -0.56 0.00 0.00 46.19 46.21 1xwd s LEU 56 CO 0.02 -0.59 -0.05 0.68 -1.06 0.00 0.00 176.35 175.34 1xwd s VAL 57 N -3.21 1.22 -0.05 1.48 -7.23 -0.43 -4.91 120.40 107.26 1xwd s VAL 57 Ca 0.00 -2.07 -0.00 0.00 -1.81 0.00 0.00 61.98 58.10 1xwd s VAL 57 Cb 0.02 -2.18 -0.03 0.00 0.56 0.00 0.00 36.38 34.75 1xwd s VAL 57 CO -0.07 -0.47 -0.00 -0.31 -0.31 0.00 0.00 175.10 173.93 1xwd s TYR 58 N -3.30 3.11 0.08 2.82 1.51 -1.26 -0.20 117.35 120.11 1xwd s TYR 58 Ca 0.24 0.14 0.02 0.00 -1.01 0.00 0.00 57.07 56.47 1xwd s TYR 58 Cb 0.04 -1.74 -0.04 0.00 -0.11 0.00 0.00 41.96 40.11 1xwd s TYR 58 CO 0.06 0.46 -0.08 -1.21 -1.11 0.00 0.00 175.55 173.67 1xwd s GLU 59 N -1.13 0.76 0.24 -0.62 2.02 -0.94 -4.96 118.70 114.06 1xwd s GLU 59 Ca 0.16 -1.15 0.09 0.00 0.02 0.00 0.00 54.97 54.09 1xwd s GLU 59 Cb -0.11 -0.29 -0.04 0.00 0.10 0.00 0.00 34.13 33.78 1xwd s GLU 59 CO 0.05 0.02 -0.04 0.99 0.02 0.00 0.00 175.26 176.30 1xwd s THR 60 N -2.81 3.32 -0.07 3.63 2.01 -1.26 -1.78 115.64 118.67 1xwd s THR 60 Ca 0.05 -1.86 -0.11 0.00 0.31 0.00 0.00 61.69 60.08 1xwd s THR 60 Cb -0.00 -2.73 0.02 0.00 0.01 0.00 0.00 72.50 69.80 1xwd s THR 60 CO -0.02 -0.29 0.27 0.54 -0.69 0.00 0.00 174.62 174.42 1xwd s VAL 61 N -2.15 0.02 0.08 3.82 0.11 -0.65 -4.97 120.40 116.66 1xwd s VAL 61 Ca 0.29 -0.17 -0.27 0.00 -2.93 0.00 0.00 61.98 58.90 1xwd s VAL 61 Cb -0.07 -0.45 -0.06 0.00 -1.53 0.00 0.00 36.38 34.28 1xwd s VAL 61 CO 0.18 -0.10 0.86 -0.60 -3.33 0.00 0.00 175.10 172.12 1xwd s ARG 62 N -0.32 4.60 -0.15 1.54 3.52 -1.26 -1.46 118.95 125.41 1xwd s ARG 62 Ca -0.04 1.26 0.01 0.00 -0.13 0.00 0.00 55.73 56.83 1xwd s ARG 62 Cb -0.03 -3.37 0.00 0.00 -1.56 0.00 0.00 34.95 29.99 1xwd s ARG 62 CO 0.01 0.25 -0.17 0.08 -0.81 0.00 0.00 175.30 174.66 1xwd s VAL 63 N -0.03 2.48 0.61 7.11 1.01 0.47 -4.97 120.40 127.08 1xwd s VAL 63 Ca 0.43 -0.83 -0.19 0.00 0.00 0.00 0.00 61.98 61.38 1xwd s VAL 63 Cb -0.22 -2.03 -0.04 0.00 0.00 0.00 0.00 36.38 34.09 1xwd s VAL 63 CO 0.26 0.53 1.15 -2.65 0.00 0.00 0.00 175.10 174.39 1xwd n PRO 64 N 4.05 1.11 0.00 2.72 -0.02 -1.26 -1.47 135.00 140.13 1xwd n PRO 64 Ca -0.19 0.43 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1xwd n PRO 64 Cb 0.52 -2.36 0.00 0.00 -0.02 0.00 0.00 33.50 31.64 1xwd n PRO 64 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1xwd n GLY 65 N 1.07 1.51 0.99 -1.23 0.00 -1.26 -4.71 105.19 101.57 1xwd n GLY 65 Ca 0.14 -1.78 0.00 0.00 0.00 0.00 0.00 46.02 44.39 1xwd n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwd n ALA 67 N -2.47 0.00 -1.82 0.00 0.00 -1.26 -1.68 120.51 113.28 1xwd n ALA 67 Ca -0.03 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.47 1xwd n ALA 67 Cb 0.15 0.00 0.16 0.00 0.00 0.00 0.00 19.45 19.75 1xwd n ALA 67 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1xwd n HIS 68 N 0.00 0.00 -3.67 0.00 8.25 -1.26 -4.98 115.22 113.56 1xwd n HIS 68 Ca 0.00 -1.22 -0.19 0.00 -0.26 0.00 0.00 57.72 56.04 1xwd n HIS 68 Cb 0.00 -0.22 -0.18 0.00 1.12 0.00 0.00 29.99 30.71 1xwd n HIS 68 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 1xwd s HIS 69 N -2.38 0.02 0.75 4.41 4.02 -0.67 -5.14 115.29 116.29 1xwd s HIS 69 Ca 0.37 0.32 -0.11 0.00 1.02 0.00 0.00 55.06 56.66 1xwd s HIS 69 Cb 0.37 -0.44 0.04 0.00 -1.02 0.00 0.00 32.58 31.53 1xwd s HIS 69 CO -0.09 -0.20 1.08 0.00 1.02 0.00 0.00 174.74 176.54 1xwd s ALA 70 N 2.18 2.46 0.91 -1.40 0.00 -1.26 -0.95 121.76 123.70 1xwd s ALA 70 Ca 0.05 -0.06 -0.16 0.00 0.00 0.00 0.00 51.96 51.79 1xwd s ALA 70 Cb -0.12 -3.14 -0.10 0.00 0.00 0.00 0.00 23.12 19.76 1xwd s ALA 70 CO -0.03 -1.48 -0.34 -0.25 0.00 0.00 0.00 175.76 173.65 1xwd n ASP 71 N -3.29 -4.47 -3.38 0.00 8.00 -1.26 -4.48 116.55 107.67 1xwd n ASP 71 Ca 0.07 0.30 -0.17 0.00 0.71 0.00 0.00 54.79 55.71 1xwd n ASP 71 Cb 0.55 -0.91 -0.07 0.00 -0.02 0.00 0.00 41.12 40.67 1xwd n ASP 71 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1xwd s SER 72 N -1.27 1.25 0.12 -2.24 1.04 -0.54 -4.89 113.70 107.16 1xwd s SER 72 Ca 0.48 -1.62 0.09 0.00 0.48 0.00 0.00 55.95 55.38 1xwd s SER 72 Cb -0.24 0.59 -0.04 0.00 0.10 0.00 0.00 66.02 66.43 1xwd s SER 72 CO 0.75 -1.14 -0.16 -0.76 0.98 0.00 0.00 173.24 172.91 1xwd s LEU 73 N -3.30 2.78 -0.03 2.42 1.43 -1.26 -0.39 118.68 120.33 1xwd s LEU 73 Ca 0.36 -0.53 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 1xwd s LEU 73 Cb 0.02 -1.61 0.03 0.00 0.03 0.00 0.00 46.19 44.66 1xwd s LEU 73 CO 0.23 0.17 0.01 -0.47 0.23 0.00 0.00 176.35 176.53 1xwd s TYR 74 N -1.19 0.21 -0.17 0.29 5.04 -0.54 -4.94 117.35 116.05 1xwd s TYR 74 Ca 0.19 0.05 -0.07 0.00 -2.44 0.00 0.00 57.07 54.80 1xwd s TYR 74 Cb -0.11 -0.36 -0.04 0.00 0.35 0.00 0.00 41.96 41.80 1xwd s TYR 74 CO 0.11 -0.12 0.08 0.99 -1.34 0.00 0.00 175.55 175.26 1xwd s THR 75 N 1.11 4.94 0.04 4.34 2.01 -1.26 -1.64 115.64 125.18 1xwd s THR 75 Ca -0.09 0.01 0.00 0.00 0.31 0.00 0.00 61.69 61.93 1xwd s THR 75 Cb -0.13 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.14 1xwd s THR 75 CO -0.02 0.48 -0.04 -0.72 -0.69 0.00 0.00 174.62 173.63 1xwd s TYR 76 N 0.15 0.47 0.22 4.92 1.13 -0.73 -4.97 117.35 118.54 1xwd s TYR 76 Ca 0.06 -0.73 -0.30 0.00 -1.41 0.00 0.00 57.07 54.68 1xwd s TYR 76 Cb -0.12 -0.32 -0.08 0.00 -1.10 0.00 0.00 41.96 40.34 1xwd s TYR 76 CO 0.00 -0.23 0.94 -1.25 -2.51 0.00 0.00 175.55 172.51 1xwd s PRO 77 N -2.49 4.83 -0.20 -3.49 0.05 -1.26 -2.22 135.00 130.22 1xwd s PRO 77 Ca -0.05 1.48 -0.00 0.00 0.05 0.00 0.00 61.00 62.47 1xwd s PRO 77 Cb -0.03 -3.30 0.05 0.00 0.05 0.00 0.00 34.50 31.28 1xwd s PRO 77 CO -0.04 0.47 -0.03 0.08 0.05 0.00 0.00 177.00 177.52 1xwd s VAL 78 N -0.97 1.18 0.32 -0.36 1.01 0.71 -4.95 120.40 117.35 1xwd s VAL 78 Ca 0.42 -0.89 -0.27 0.00 0.00 0.00 0.00 61.98 61.24 1xwd s VAL 78 Cb -0.25 -1.47 -0.13 0.00 0.00 0.00 0.00 36.38 34.52 1xwd s VAL 78 CO 0.32 -0.05 1.03 0.00 0.00 0.00 0.00 175.10 176.40 1xwd n ALA 79 N 4.82 0.00 -0.00 5.51 0.00 -0.93 -1.32 120.51 128.59 1xwd n ALA 79 Ca -0.11 0.35 0.01 0.00 0.00 0.00 0.00 53.44 53.69 1xwd n ALA 79 Cb 0.46 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 17.84 1xwd n ALA 79 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1xwd n THR 80 N 0.09 0.03 -3.63 0.00 -1.04 0.68 -4.78 114.28 105.62 1xwd n THR 80 Ca 0.09 -0.05 -0.05 0.00 -2.04 0.00 0.00 64.05 62.00 1xwd n THR 80 Cb 0.34 0.13 -0.06 0.00 -1.82 0.00 0.00 70.33 68.91 1xwd n THR 80 CO 0.00 0.00 0.00 -1.58 -0.64 0.00 0.00 175.07 172.85 1xwd s GLN 81 N -2.12 0.61 0.43 -2.82 0.74 -1.09 -4.96 119.66 110.45 1xwd s GLN 81 Ca -0.01 1.11 0.08 0.00 0.05 0.00 0.00 55.36 56.59 1xwd s GLN 81 Cb 0.01 0.22 -0.01 0.00 1.10 0.00 0.00 33.01 34.33 1xwd s GLN 81 CO 0.08 -0.14 0.46 0.00 -0.55 0.00 0.00 175.29 175.14 1xwd s HIS 83 N -2.44 -0.22 -0.48 0.00 -3.43 -0.28 -4.62 115.29 103.81 1xwd s HIS 83 Ca 0.51 -0.01 -0.22 0.00 -0.80 0.00 0.00 55.06 54.54 1xwd s HIS 83 Cb -0.06 0.59 0.04 0.00 -1.43 0.00 0.00 32.58 31.72 1xwd s HIS 83 CO 0.30 -0.68 0.76 0.00 -2.00 0.00 0.00 174.74 173.12 1xwd n GLY 85 N 5.07 4.41 3.81 0.00 0.00 0.25 -4.79 105.19 113.94 1xwd n GLY 85 Ca -0.00 -1.22 -0.38 0.00 0.00 0.00 0.00 46.02 44.41 1xwd n GLY 85 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwd s LYS 86 N 0.82 4.14 0.24 1.61 1.02 -1.26 0.74 119.74 127.05 1xwd s LYS 86 Ca 0.00 0.64 -0.30 0.00 0.02 0.00 0.00 55.97 56.34 1xwd s LYS 86 Cb 0.00 -3.25 -0.10 0.00 -0.52 0.00 0.00 37.83 33.97 1xwd s LYS 86 CO 0.00 0.62 1.37 0.00 -0.92 0.00 0.00 175.35 176.42 1xwd s ASP 88 N 0.24 6.27 0.00 0.00 2.15 -1.26 -4.88 116.67 119.19 1xwd s ASP 88 Ca 0.57 -1.12 0.07 0.00 0.43 0.00 0.00 52.55 52.50 1xwd s ASP 88 Cb -0.40 -2.45 0.31 0.00 -0.30 0.00 0.00 42.92 40.08 1xwd s ASP 88 CO 0.43 -1.45 1.16 -1.54 -0.17 0.00 0.00 175.17 173.59 1xwd n SER 89 N 7.90 0.00 -0.04 -0.34 3.41 -1.26 0.08 113.62 123.36 1xwd n SER 89 Ca 0.05 0.38 -0.12 0.00 -0.26 0.00 0.00 58.87 58.92 1xwd n SER 89 Cb 0.47 -0.42 -0.07 0.00 -0.26 0.00 0.00 64.21 63.93 1xwd n SER 89 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1xwd h ASP 90 N 0.00 0.25 -0.00 4.04 3.32 -2.03 -3.36 116.42 118.64 1xwd h ASP 90 Ca 0.00 -0.39 0.00 0.00 0.02 0.00 0.00 57.03 56.66 1xwd h ASP 90 Cb 0.10 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 39.58 1xwd h ASP 90 CO 0.00 0.58 -0.69 -1.54 -1.72 0.00 0.00 179.24 175.88 1xwd n SER 91 N -4.71 0.89 -4.27 6.45 3.41 -0.44 -5.00 113.62 109.95 1xwd n SER 91 Ca -0.06 -0.95 -0.26 0.00 -0.26 0.00 0.00 58.87 57.34 1xwd n SER 91 Cb 0.26 0.92 -0.14 0.00 -0.26 0.00 0.00 64.21 64.99 1xwd n SER 91 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 1xwd s THR 92 N -2.42 1.77 -0.37 6.66 2.01 0.11 -5.04 115.64 118.36 1xwd s THR 92 Ca 0.07 -1.28 -0.16 0.00 0.31 0.00 0.00 61.69 60.63 1xwd s THR 92 Cb 0.12 -1.54 -0.00 0.00 0.01 0.00 0.00 72.50 71.09 1xwd s THR 92 CO 0.62 0.20 0.37 -0.62 -0.69 0.00 0.00 174.62 174.50 1xwd s ASP 93 N -1.29 6.17 -1.12 3.53 2.15 -1.26 -4.35 116.67 120.49 1xwd s ASP 93 Ca 0.08 -0.42 -0.10 0.00 0.43 0.00 0.00 52.55 52.55 1xwd s ASP 93 Cb -0.09 -2.20 0.26 0.00 -0.30 0.00 0.00 42.92 40.59 1xwd s ASP 93 CO 0.02 -0.41 1.15 0.00 -0.17 0.00 0.00 175.17 175.76 1xwd n THR 95 N 2.96 0.00 -0.04 0.00 -2.24 -1.26 -5.05 114.28 108.66 1xwd n THR 95 Ca 0.25 -1.84 -0.18 0.00 -2.27 0.00 0.00 64.05 60.02 1xwd n THR 95 Cb 0.40 -0.27 -0.13 0.00 -2.10 0.00 0.00 70.33 68.23 1xwd n THR 95 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 1xwd h VAL 96 N 0.43 1.41 -3.67 2.28 2.07 -2.08 -3.47 116.25 113.23 1xwd h VAL 96 Ca -0.28 -2.36 -0.32 0.00 0.82 0.00 0.00 66.70 64.56 1xwd h VAL 96 Cb 1.11 2.99 -0.31 0.00 -1.52 0.00 0.00 31.29 33.56 1xwd h VAL 96 CO 0.43 0.58 -0.74 -0.13 0.02 0.00 0.00 177.57 177.73 1xwd s ARG 97 N -2.34 0.30 0.00 1.57 0.52 -1.26 -5.15 118.95 112.59 1xwd s ARG 97 Ca -0.20 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 54.98 1xwd s ARG 97 Cb 0.01 -0.38 0.00 0.00 0.52 0.00 0.00 34.95 35.10 1xwd s ARG 97 CO 0.71 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 176.41 1xwd n GLY 98 N 3.56 1.81 0.13 -3.53 0.00 -1.26 -4.99 105.19 100.91 1xwd n GLY 98 Ca -0.20 -2.03 0.12 0.00 0.00 0.00 0.00 46.02 43.91 1xwd n GLY 98 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1xwd h LEU 99 N 0.00 0.00 0.00 0.99 3.38 -2.03 -3.50 115.31 114.15 1xwd h LEU 99 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 1xwd h LEU 99 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 1xwd h LEU 99 CO 0.00 0.02 0.00 0.61 0.09 0.00 0.00 178.44 179.16 1xwd n GLY 100 N 1.25 2.40 0.45 0.83 0.00 -1.26 -4.66 105.19 104.21 1xwd n GLY 100 Ca 0.04 -1.79 -0.17 0.00 0.00 0.00 0.00 46.02 44.11 1xwd n GLY 100 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1xwd h PRO 101 N 0.00 -0.81 -1.46 1.61 0.11 -1.98 -3.09 132.00 126.38 1xwd h PRO 101 Ca 0.00 0.06 -0.25 0.00 0.11 0.00 0.00 66.00 65.91 1xwd h PRO 101 Cb 0.00 0.19 -0.12 0.00 0.11 0.00 0.00 31.00 31.18 1xwd h PRO 101 CO 0.00 -0.54 0.32 -1.13 -0.21 0.00 0.00 178.00 176.44 1xwd n SER 102 N -5.51 5.55 -4.75 -2.05 3.41 -1.23 -2.81 113.62 106.22 1xwd n SER 102 Ca -0.10 -2.87 -0.41 0.00 -0.26 0.00 0.00 58.87 55.23 1xwd n SER 102 Cb 0.42 -0.96 -0.04 0.00 -0.26 0.00 0.00 64.21 63.36 1xwd n SER 102 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 1xwd s TYR 103 N -1.45 3.66 -0.02 7.33 5.04 -1.17 -4.67 117.35 126.07 1xwd s TYR 103 Ca 0.25 1.70 0.00 0.00 -2.44 0.00 0.00 57.07 56.58 1xwd s TYR 103 Cb 0.20 -3.22 0.02 0.00 0.35 0.00 0.00 41.96 39.31 1xwd s TYR 103 CO 0.01 -0.38 0.02 0.00 -1.34 0.00 0.00 175.55 173.85 1xwd n SER 105 N 4.00 0.44 -4.21 0.00 7.64 -1.26 -4.72 113.62 115.51 1xwd n SER 105 Ca -0.25 0.62 -0.27 0.00 1.01 0.00 0.00 58.87 59.98 1xwd n SER 105 Cb 0.52 -0.71 -0.16 0.00 -1.01 0.00 0.00 64.21 62.85 1xwd n SER 105 CO 0.00 0.00 0.00 -0.36 -3.01 0.00 0.00 175.04 171.67 1xwd s PHE 106 N -3.23 1.79 0.00 1.43 0.08 -1.26 -5.13 117.98 111.66 1xwd s PHE 106 Ca 0.04 -0.34 0.00 0.00 0.12 0.00 0.00 56.93 56.75 1xwd s PHE 106 Cb 0.09 -1.15 0.00 0.00 -0.57 0.00 0.00 43.02 41.38 1xwd s PHE 106 CO 0.32 -0.03 0.00 0.41 -0.10 0.00 0.00 175.22 175.82