#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 1.46 -0.14 0.00 -1.05 -1.06 -4.86 118.70 113.06 1xwd s GLU 4 Ca 0.00 -0.81 -0.27 0.00 -0.15 0.00 0.00 54.97 53.74 1xwd s GLU 4 Cb 0.00 0.56 -0.01 0.00 -0.44 0.00 0.00 34.13 34.23 1xwd s GLU 4 CO 0.00 -0.64 0.89 -0.51 0.95 0.00 0.00 175.26 175.95 1xwd s LEU 5 N -2.86 4.21 0.00 1.83 1.43 -1.26 -2.70 118.68 119.33 1xwd s LEU 5 Ca 0.08 1.32 -0.01 0.00 -1.03 0.00 0.00 54.13 54.49 1xwd s LEU 5 Cb -0.02 -3.35 -0.01 0.00 0.03 0.00 0.00 46.19 42.84 1xwd s LEU 5 CO -0.02 -0.40 0.01 0.28 0.23 0.00 0.00 176.35 176.45 1xwd s THR 6 N 2.00 0.05 0.31 5.49 -1.32 0.24 -4.91 115.64 117.51 1xwd s THR 6 Ca 0.42 -0.42 -0.29 0.00 -1.21 0.00 0.00 61.69 60.19 1xwd s THR 6 Cb -0.17 -0.17 -0.10 0.00 -1.51 0.00 0.00 72.50 70.55 1xwd s THR 6 CO 0.15 -0.23 1.22 0.20 -2.21 0.00 0.00 174.62 173.75 1xwd s ASN 7 N -0.69 6.95 0.27 8.08 0.01 -1.26 0.43 114.94 128.73 1xwd s ASN 7 Ca -0.08 2.52 0.06 0.00 -0.71 0.00 0.00 52.86 54.66 1xwd s ASN 7 Cb -0.05 -2.64 -0.02 0.00 0.41 0.00 0.00 41.25 38.95 1xwd s ASN 7 CO -0.00 -0.39 0.22 2.30 -1.51 0.00 0.00 177.10 177.72 1xwd n ILE 8 N 0.92 0.00 -3.88 0.60 -5.35 0.78 -4.90 119.36 107.53 1xwd n ILE 8 Ca -0.00 -1.97 -0.30 0.00 -0.27 0.00 0.00 62.75 60.20 1xwd n ILE 8 Cb 0.43 0.96 -0.15 0.00 -1.74 0.00 0.00 39.64 39.15 1xwd n ILE 8 CO 0.00 0.00 0.00 -0.89 -1.76 0.00 0.00 176.55 173.90 1xwd s THR 9 N -3.08 1.77 0.08 7.28 2.01 -1.26 -2.79 115.64 119.66 1xwd s THR 9 Ca 0.31 -2.20 -0.16 0.00 0.31 0.00 0.00 61.69 59.95 1xwd s THR 9 Cb 0.02 -2.30 -0.06 0.00 0.01 0.00 0.00 72.50 70.16 1xwd s THR 9 CO 0.22 -0.69 0.51 0.27 -0.69 0.00 0.00 174.62 174.25 1xwd s ILE 10 N 0.90 4.88 -0.24 1.82 -4.36 -0.61 -3.17 121.20 120.42 1xwd s ILE 10 Ca 0.12 0.92 -0.08 0.00 -0.26 0.00 0.00 60.65 61.35 1xwd s ILE 10 Cb -0.20 -3.77 -0.04 0.00 1.25 0.00 0.00 42.46 39.70 1xwd s ILE 10 CO -0.11 0.42 0.10 0.00 0.24 0.00 0.00 174.94 175.59 1xwd s ALA 11 N -1.26 3.33 0.10 2.27 0.00 -1.18 0.29 121.76 125.31 1xwd s ALA 11 Ca 0.31 -1.03 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1xwd s ALA 11 Cb -0.17 -2.16 -0.04 0.00 0.00 0.00 0.00 23.12 20.75 1xwd s ALA 11 CO 0.18 -0.35 0.24 -1.50 0.00 0.00 0.00 175.76 174.33 1xwd s ILE 12 N 1.37 5.36 -0.01 0.00 2.07 -0.91 -4.77 121.20 124.31 1xwd s ILE 12 Ca 0.06 -0.50 -0.06 0.00 -1.41 0.00 0.00 60.65 58.73 1xwd s ILE 12 Cb -0.15 -3.67 0.00 0.00 0.13 0.00 0.00 42.46 38.77 1xwd s ILE 12 CO 0.05 0.05 0.13 -1.83 -1.91 0.00 0.00 174.94 171.43 1xwd s GLU 13 N -2.80 0.39 -0.23 3.50 -1.05 -1.26 -2.40 118.70 114.85 1xwd s GLU 13 Ca 0.35 -0.25 0.01 0.00 -0.15 0.00 0.00 54.97 54.93 1xwd s GLU 13 Cb -0.12 0.17 0.05 0.00 -0.44 0.00 0.00 34.13 33.79 1xwd s GLU 13 CO 0.28 -0.09 -0.09 -1.59 0.95 0.00 0.00 175.26 174.73 1xwd s LYS 14 N -1.00 1.97 0.33 -4.83 -2.85 -1.26 -5.04 119.74 107.06 1xwd s LYS 14 Ca -0.11 -1.02 0.12 0.00 -1.00 0.00 0.00 55.97 53.96 1xwd s LYS 14 Cb -0.06 -2.60 1.04 0.00 -2.06 0.00 0.00 37.83 34.15 1xwd s LYS 14 CO 0.01 -0.52 1.63 1.49 0.10 0.00 0.00 175.35 178.06 1xwd h GLU 15 N 7.91 0.17 0.00 1.78 4.81 -2.00 -2.20 114.58 125.06 1xwd h GLU 15 Ca -0.23 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1xwd h GLU 15 Cb 1.08 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.42 1xwd h GLU 15 CO 0.45 0.11 0.00 -0.85 -0.73 0.00 0.00 179.01 178.00 1xwd n GLU 16 N -5.20 0.27 0.00 1.92 0.28 -1.26 -3.33 120.64 113.33 1xwd n GLU 16 Ca 0.30 0.04 0.00 0.00 -0.16 0.00 0.00 57.16 57.35 1xwd n GLU 16 Cb 0.98 -1.50 0.00 0.00 1.43 0.00 0.00 31.44 32.35 1xwd n GLU 16 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 1xwd n ARG 18 N -1.17 -0.57 -3.61 0.00 5.12 -1.21 -4.99 116.66 110.23 1xwd n ARG 18 Ca 0.00 0.38 -0.12 0.00 -1.93 0.00 0.00 57.85 56.18 1xwd n ARG 18 Cb 0.00 -4.28 -0.05 0.00 -1.16 0.00 0.00 32.46 26.98 1xwd n ARG 18 CO 0.00 0.00 0.00 -0.59 -1.93 0.00 0.00 177.63 175.11 1xwd s PHE 19 N -2.36 -0.30 0.06 -1.55 -0.12 -1.26 -4.91 117.98 107.54 1xwd s PHE 19 Ca 0.00 0.13 0.07 0.00 -0.05 0.00 0.00 56.93 57.08 1xwd s PHE 19 Cb 0.00 0.30 -0.03 0.00 -0.63 0.00 0.00 43.02 42.66 1xwd s PHE 19 CO 0.00 -0.68 -0.19 0.00 -0.05 0.00 0.00 175.22 174.31 1xwd s ILE 21 N -0.92 4.54 0.36 0.00 -4.36 -1.01 -4.92 121.20 114.89 1xwd s ILE 21 Ca 0.05 -0.13 -0.27 0.00 -0.26 0.00 0.00 60.65 60.04 1xwd s ILE 21 Cb -0.09 -3.00 -0.09 0.00 1.25 0.00 0.00 42.46 40.52 1xwd s ILE 21 CO 0.02 0.50 1.23 -0.44 0.24 0.00 0.00 174.94 176.50 1xwd s SER 22 N 0.06 6.67 0.10 4.36 0.01 -1.26 -2.14 113.70 121.49 1xwd s SER 22 Ca 0.04 2.51 0.04 0.00 1.31 0.00 0.00 55.95 59.85 1xwd s SER 22 Cb -0.13 -2.63 -0.04 0.00 0.21 0.00 0.00 66.02 63.44 1xwd s SER 22 CO 0.01 -0.59 -0.10 -0.63 0.41 0.00 0.00 173.24 172.34 1xwd s ILE 23 N -1.25 0.99 -0.16 1.44 1.01 0.15 -4.95 121.20 118.43 1xwd s ILE 23 Ca 0.52 -1.69 -0.03 0.00 0.00 0.00 0.00 60.65 59.46 1xwd s ILE 23 Cb -0.35 -1.43 -0.02 0.00 0.01 0.00 0.00 42.46 40.67 1xwd s ILE 23 CO 0.46 -0.57 -0.06 0.20 0.00 0.00 0.00 174.94 174.97 1xwd s ASN 24 N -2.52 4.53 0.11 3.58 -0.87 -1.26 -1.57 114.94 116.94 1xwd s ASN 24 Ca 0.07 -0.21 -0.17 0.00 -1.57 0.00 0.00 52.86 50.98 1xwd s ASN 24 Cb -0.02 -1.73 0.04 0.00 -0.02 0.00 0.00 41.25 39.51 1xwd s ASN 24 CO 0.00 0.15 0.43 -0.89 -2.57 0.00 0.00 177.10 174.22 1xwd s THR 25 N 0.48 0.06 -0.18 1.60 2.01 -1.12 -5.01 115.64 113.48 1xwd s THR 25 Ca -0.05 -0.49 -0.09 0.00 0.31 0.00 0.00 61.69 61.37 1xwd s THR 25 Cb -0.15 -1.12 -0.05 0.00 0.01 0.00 0.00 72.50 71.20 1xwd s THR 25 CO 0.03 -0.27 0.12 0.28 -0.69 0.00 0.00 174.62 174.09 1xwd s THR 26 N -3.57 5.30 0.28 -0.82 -1.32 -1.26 -0.15 115.64 114.09 1xwd s THR 26 Ca 0.01 0.15 -0.11 0.00 -1.21 0.00 0.00 61.69 60.53 1xwd s THR 26 Cb 0.01 -3.40 0.00 0.00 -1.51 0.00 0.00 72.50 67.61 1xwd s THR 26 CO -0.10 0.47 0.50 0.26 -2.21 0.00 0.00 174.62 173.54 1xwd s TRP 27 N 0.14 0.50 0.34 9.09 0.52 0.17 -2.70 118.94 127.00 1xwd s TRP 27 Ca 0.08 -0.86 -0.27 0.00 0.02 0.00 0.00 56.10 55.07 1xwd s TRP 27 Cb -0.11 0.18 -0.09 0.00 -1.15 0.00 0.00 33.47 32.29 1xwd s TRP 27 CO -0.01 -1.07 1.06 0.00 0.02 0.00 0.00 176.95 176.95 1xwd s ALA 29 N -1.43 -2.09 0.00 0.00 0.00 -1.10 -4.88 121.76 112.26 1xwd s ALA 29 Ca 0.51 1.76 0.00 0.00 0.00 0.00 0.00 51.96 54.23 1xwd s ALA 29 Cb -0.26 -1.44 0.00 0.00 0.00 0.00 0.00 23.12 21.42 1xwd s ALA 29 CO 0.33 -0.21 0.00 0.41 0.00 0.00 0.00 175.76 176.29 1xwd n GLY 30 N 1.18 0.98 3.71 0.00 0.00 -1.26 -2.55 105.19 107.25 1xwd n GLY 30 Ca -0.07 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.74 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 -2.60 3.06 0.07 1.61 1.51 -1.26 -4.43 117.35 115.31 1xwd s TYR 31 Ca 0.00 0.03 0.03 0.00 -1.01 0.00 0.00 57.07 56.12 1xwd s TYR 31 Cb 0.00 -1.59 -0.03 0.00 -0.11 0.00 0.00 41.96 40.23 1xwd s TYR 31 CO 0.00 0.49 -0.09 0.00 -1.11 0.00 0.00 175.55 174.83 1xwd s TYR 33 N -1.97 3.52 0.00 0.00 5.04 -1.26 -5.05 117.35 117.63 1xwd s TYR 33 Ca -0.01 0.94 -0.04 0.00 -2.44 0.00 0.00 57.07 55.52 1xwd s TYR 33 Cb -0.06 -2.59 -0.00 0.00 0.35 0.00 0.00 41.96 39.65 1xwd s TYR 33 CO -0.00 0.15 0.07 0.95 -1.34 0.00 0.00 175.55 175.38 1xwd s THR 34 N 0.69 0.08 0.06 4.34 -4.23 -1.26 -4.56 115.64 110.75 1xwd s THR 34 Ca 0.28 -0.62 0.07 0.00 -1.18 0.00 0.00 61.69 60.23 1xwd s THR 34 Cb -0.15 -0.31 -0.03 0.00 1.34 0.00 0.00 72.50 73.35 1xwd s THR 34 CO 0.11 -0.34 -0.19 0.00 -0.54 0.00 0.00 174.62 173.67 1xwd s ARG 35 N -1.11 1.17 -0.28 3.99 1.70 -1.26 -5.12 118.95 118.04 1xwd s ARG 35 Ca -0.12 -0.95 -0.13 0.00 -0.47 0.00 0.00 55.73 54.06 1xwd s ARG 35 Cb -0.07 -1.28 -0.04 0.00 -0.57 0.00 0.00 34.95 32.98 1xwd s ARG 35 CO 0.00 0.32 0.29 0.34 -1.08 0.00 0.00 175.30 175.17 1xwd s ASP 36 N -1.38 6.14 0.25 -2.89 2.15 -1.26 -5.01 116.67 114.67 1xwd s ASP 36 Ca 0.05 0.14 -0.30 0.00 0.43 0.00 0.00 52.55 52.87 1xwd s ASP 36 Cb -0.09 -2.17 -0.09 0.00 -0.30 0.00 0.00 42.92 40.27 1xwd s ASP 36 CO 0.02 -0.12 1.24 -0.76 -0.17 0.00 0.00 175.17 175.37 1xwd s LEU 37 N 1.92 4.46 0.44 -1.34 1.43 -1.26 -4.89 118.68 119.44 1xwd s LEU 37 Ca 0.11 2.41 0.23 0.00 -1.03 0.00 0.00 54.13 55.86 1xwd s LEU 37 Cb -0.16 -3.62 0.37 0.00 0.03 0.00 0.00 46.19 42.80 1xwd s LEU 37 CO 0.10 -0.41 1.62 0.58 0.23 0.00 0.00 176.35 178.48 1xwd h VAL 38 N 3.40 0.00 -3.11 -1.59 2.07 -2.07 -3.40 116.25 111.55 1xwd h VAL 38 Ca -0.46 -0.99 -0.49 0.00 0.82 0.00 0.00 66.70 65.58 1xwd h VAL 38 Cb 1.22 1.99 -0.41 0.00 -1.52 0.00 0.00 31.29 32.57 1xwd h VAL 38 CO 0.71 0.00 -0.76 -0.47 0.02 0.00 0.00 177.57 177.07 1xwd s TYR 39 N -3.22 0.54 -0.31 1.57 5.04 -1.26 -5.11 117.35 114.59 1xwd s TYR 39 Ca 0.07 -0.58 -0.20 0.00 -2.44 0.00 0.00 57.07 53.91 1xwd s TYR 39 Cb 0.05 -0.85 -0.01 0.00 0.35 0.00 0.00 41.96 41.50 1xwd s TYR 39 CO 0.67 -0.58 0.63 0.15 -1.34 0.00 0.00 175.55 175.08 1xwd s LYS 40 N 2.02 3.86 -0.39 4.97 3.01 -1.26 -5.02 119.74 126.94 1xwd s LYS 40 Ca 0.02 0.26 -0.18 0.00 -1.01 0.00 0.00 55.97 55.05 1xwd s LYS 40 Cb -0.16 -3.74 0.01 0.00 -1.01 0.00 0.00 37.83 32.92 1xwd s LYS 40 CO -0.11 -0.60 0.52 0.34 0.51 0.00 0.00 175.35 176.01 1xwd s ASP 41 N 1.67 6.28 0.28 2.83 2.15 -1.26 -4.98 116.67 123.64 1xwd s ASP 41 Ca 0.25 -0.28 -0.04 0.00 0.43 0.00 0.00 52.55 52.91 1xwd s ASP 41 Cb -0.15 -2.27 0.56 0.00 -0.30 0.00 0.00 42.92 40.76 1xwd s ASP 41 CO 0.12 -0.58 1.59 -0.65 -0.17 0.00 0.00 175.17 175.49 1xwd h PRO 42 N 8.64 0.04 0.00 4.34 0.11 -2.02 0.15 132.00 143.26 1xwd h PRO 42 Ca -0.27 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xwd h PRO 42 Cb 1.11 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.22 1xwd h PRO 42 CO 0.81 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 178.62 1xwd h ALA 43 N 1.87 1.00 -3.20 -0.75 0.00 -2.04 -3.35 119.26 112.79 1xwd h ALA 43 Ca 0.50 0.00 -0.69 0.00 0.00 0.00 0.00 54.91 54.72 1xwd h ALA 43 Cb 0.91 0.00 -0.36 0.00 0.00 0.00 0.00 17.79 18.34 1xwd h ALA 43 CO -0.84 0.00 -0.41 0.50 0.00 0.00 0.00 179.25 178.50 1xwd s ARG 44 N -3.36 2.46 0.29 0.00 3.00 0.54 -5.09 118.95 116.80 1xwd s ARG 44 Ca 0.04 -2.53 -0.30 0.00 -1.00 0.00 0.00 55.73 51.94 1xwd s ARG 44 Cb 0.09 -3.67 -0.11 0.00 0.00 0.00 0.00 34.95 31.27 1xwd s ARG 44 CO 0.41 -1.16 1.51 -2.14 0.00 0.00 0.00 175.30 173.92 1xwd s PRO 45 N -0.07 4.18 0.31 5.12 0.02 -1.26 -4.48 135.00 138.83 1xwd s PRO 45 Ca 0.17 2.46 -0.27 0.00 0.02 0.00 0.00 61.00 63.38 1xwd s PRO 45 Cb -0.21 -3.05 -0.10 0.00 0.02 0.00 0.00 34.50 31.16 1xwd s PRO 45 CO -0.03 -0.52 0.96 0.21 -0.33 0.00 0.00 177.00 177.29 1xwd s LYS 46 N -0.71 4.62 0.00 5.54 2.20 -1.26 -5.09 119.74 125.04 1xwd s LYS 46 Ca 0.60 1.39 0.03 0.00 -0.36 0.00 0.00 55.97 57.63 1xwd s LYS 46 Cb -0.45 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 32.95 1xwd s LYS 46 CO 0.48 0.31 -0.09 0.42 -0.36 0.00 0.00 175.35 176.11 1xwd s ILE 47 N -1.50 0.72 -0.03 5.43 1.01 -1.26 -5.15 121.20 120.41 1xwd s ILE 47 Ca 0.48 -0.49 0.03 0.00 0.00 0.00 0.00 60.65 60.68 1xwd s ILE 47 Cb -0.21 -0.62 -0.00 0.00 0.01 0.00 0.00 42.46 41.64 1xwd s ILE 47 CO 0.26 0.13 -0.13 -1.10 0.00 0.00 0.00 174.94 174.10 1xwd s GLN 48 N -0.41 1.38 0.12 2.79 -0.21 -1.26 -4.87 119.66 117.20 1xwd s GLN 48 Ca 0.02 -0.46 0.02 0.00 0.02 0.00 0.00 55.36 54.96 1xwd s GLN 48 Cb -0.04 -1.23 -0.04 0.00 1.00 0.00 0.00 33.01 32.70 1xwd s GLN 48 CO -0.00 0.18 0.22 0.15 -2.12 0.00 0.00 175.29 173.72 1xwd s LYS 49 N 0.11 3.30 0.11 2.91 1.02 -1.26 -4.71 119.74 121.22 1xwd s LYS 49 Ca -0.03 -0.60 0.04 0.00 0.02 0.00 0.00 55.97 55.40 1xwd s LYS 49 Cb -0.10 -2.91 -0.04 0.00 -0.52 0.00 0.00 37.83 34.26 1xwd s LYS 49 CO 0.01 0.55 -0.11 0.99 -0.92 0.00 0.00 175.35 175.87 1xwd s THR 50 N -1.64 1.09 -0.17 2.17 2.01 -0.55 -4.81 115.64 113.74 1xwd s THR 50 Ca 0.34 -1.73 -0.29 0.00 0.31 0.00 0.00 61.69 60.31 1xwd s THR 50 Cb -0.12 -1.49 -0.02 0.00 0.01 0.00 0.00 72.50 70.89 1xwd s THR 50 CO 0.27 -0.55 1.30 0.00 -0.69 0.00 0.00 174.62 174.95 1xwd s THR 52 N 3.64 0.00 0.35 0.00 -1.32 -1.04 -4.86 115.64 112.41 1xwd s THR 52 Ca 0.56 -1.06 -0.26 0.00 -1.21 0.00 0.00 61.69 59.72 1xwd s THR 52 Cb -0.22 -2.27 -0.09 0.00 -1.51 0.00 0.00 72.50 68.41 1xwd s THR 52 CO 0.16 0.00 1.03 0.72 -2.21 0.00 0.00 174.62 174.32 1xwd s PHE 53 N -3.48 3.46 -0.19 9.09 -0.12 -1.26 -1.75 117.98 123.73 1xwd s PHE 53 Ca 0.14 1.70 -0.03 0.00 -0.05 0.00 0.00 56.93 58.69 1xwd s PHE 53 Cb -0.05 -3.10 -0.22 0.00 -0.63 0.00 0.00 43.02 39.02 1xwd s PHE 53 CO 0.09 -0.37 0.07 1.17 -0.05 0.00 0.00 175.22 176.13 1xwd n LYS 54 N 0.38 0.70 -4.25 1.99 4.81 0.41 -4.80 118.16 117.40 1xwd n LYS 54 Ca 0.03 0.22 -0.18 0.00 -0.87 0.00 0.00 58.31 57.50 1xwd n LYS 54 Cb 0.49 -1.62 -0.13 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.54 0.78 0.01 1.64 0.41 -1.22 -4.95 118.70 112.83 1xwd s GLU 55 Ca -0.29 -0.73 0.03 0.00 -0.41 0.00 0.00 54.97 53.58 1xwd s GLU 55 Cb 0.08 -0.74 -0.01 0.00 -1.78 0.00 0.00 34.13 31.67 1xwd s GLU 55 CO 0.68 0.18 -0.10 -0.51 -0.49 0.00 0.00 175.26 175.02 1xwd s LEU 56 N -1.21 2.09 0.20 1.80 1.43 -1.26 -0.75 118.68 120.98 1xwd s LEU 56 Ca -0.01 -0.28 0.06 0.00 -1.03 0.00 0.00 54.13 52.86 1xwd s LEU 56 Cb -0.08 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.63 1xwd s LEU 56 CO 0.01 0.05 -0.10 0.68 0.23 0.00 0.00 176.35 177.22 1xwd s VAL 57 N -0.52 1.47 -0.23 -1.59 -7.23 -0.91 -4.95 120.40 106.45 1xwd s VAL 57 Ca 0.01 -2.13 -0.06 0.00 -1.81 0.00 0.00 61.98 57.99 1xwd s VAL 57 Cb -0.05 -2.10 -0.02 0.00 0.56 0.00 0.00 36.38 34.77 1xwd s VAL 57 CO 0.00 -0.55 0.02 -0.31 -0.31 0.00 0.00 175.10 173.95 1xwd s TYR 58 N -3.14 3.03 0.06 2.82 2.02 -1.26 -0.70 117.35 120.19 1xwd s TYR 58 Ca 0.23 -0.63 0.05 0.00 -0.37 0.00 0.00 57.07 56.36 1xwd s TYR 58 Cb 0.02 -2.17 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 1xwd s TYR 58 CO 0.06 -0.42 -0.07 -2.00 -1.57 0.00 0.00 175.55 171.56 1xwd s GLU 59 N 1.48 2.36 0.15 -0.62 2.56 -1.05 -4.98 118.70 118.61 1xwd s GLU 59 Ca 0.06 -0.88 0.09 0.00 0.00 0.00 0.00 54.97 54.24 1xwd s GLU 59 Cb -0.15 -2.42 -0.04 0.00 2.00 0.00 0.00 34.13 33.52 1xwd s GLU 59 CO 0.01 0.55 -0.15 0.99 -0.56 0.00 0.00 175.26 176.10 1xwd s THR 60 N -1.15 2.98 0.16 -1.70 2.01 -1.26 -1.16 115.64 115.52 1xwd s THR 60 Ca 0.21 -1.59 -0.01 0.00 0.31 0.00 0.00 61.69 60.62 1xwd s THR 60 Cb -0.11 -2.42 -0.04 0.00 0.01 0.00 0.00 72.50 69.94 1xwd s THR 60 CO 0.12 0.00 0.07 0.54 -0.69 0.00 0.00 174.62 174.67 1xwd s VAL 61 N -1.41 0.18 -0.36 3.82 0.11 -1.20 -5.02 120.40 116.52 1xwd s VAL 61 Ca 0.21 -1.95 -0.29 0.00 -2.93 0.00 0.00 61.98 57.02 1xwd s VAL 61 Cb -0.10 -2.21 0.01 0.00 -1.53 0.00 0.00 36.38 32.55 1xwd s VAL 61 CO 0.12 -0.31 1.29 0.00 -3.33 0.00 0.00 175.10 172.87 1xwd s ARG 62 N -4.06 3.80 -0.66 1.54 1.70 -1.26 -4.03 118.95 115.97 1xwd s ARG 62 Ca 0.29 1.03 -0.08 0.00 -0.47 0.00 0.00 55.73 56.50 1xwd s ARG 62 Cb 0.07 -3.92 0.17 0.00 -0.57 0.00 0.00 34.95 30.71 1xwd s ARG 62 CO 0.05 -1.28 0.53 0.08 -1.08 0.00 0.00 175.30 173.61 1xwd s VAL 63 N 4.64 4.49 1.00 4.99 1.01 -1.20 -5.05 120.40 130.28 1xwd s VAL 63 Ca 0.55 -2.52 -0.12 0.00 0.00 0.00 0.00 61.98 59.90 1xwd s VAL 63 Cb -0.14 -3.87 0.19 0.00 0.00 0.00 0.00 36.38 32.56 1xwd s VAL 63 CO 0.27 -0.91 1.08 -2.84 0.00 0.00 0.00 175.10 172.70 1xwd s PRO 64 N 0.34 0.43 0.70 2.72 0.02 -1.26 -2.35 135.00 135.60 1xwd s PRO 64 Ca 0.15 0.99 -0.03 0.00 0.02 0.00 0.00 61.00 62.13 1xwd s PRO 64 Cb -0.18 -1.70 0.10 0.00 0.02 0.00 0.00 34.50 32.74 1xwd s PRO 64 CO -0.05 -2.86 0.98 0.20 -0.33 0.00 0.00 177.00 174.94 1xwd s GLY 65 N -2.94 1.77 0.00 0.52 0.00 -1.26 -4.65 107.32 100.76 1xwd s GLY 65 Ca 0.66 -1.45 0.00 0.00 0.00 0.00 0.00 44.72 43.93 1xwd s GLY 65 CO 0.60 -0.95 0.00 0.00 0.00 0.00 0.00 173.10 172.74 1xwd n ALA 67 N -3.00 -0.35 -1.97 0.00 0.00 -1.26 -4.45 120.51 109.47 1xwd n ALA 67 Ca 0.00 0.00 0.02 0.00 0.00 0.00 0.00 53.44 53.46 1xwd n ALA 67 Cb 0.00 0.12 0.03 0.00 0.00 0.00 0.00 19.45 19.60 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 -2.15 0.00 -4.86 0.00 8.25 -1.26 -5.10 115.22 110.10 1xwd n HIS 68 Ca 0.00 -0.26 -0.31 0.00 -0.26 0.00 0.00 57.72 56.89 1xwd n HIS 68 Cb 0.00 -0.09 -0.14 0.00 1.12 0.00 0.00 29.99 30.89 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 -0.44 2.51 0.53 4.41 4.02 -1.26 -5.12 115.29 119.93 1xwd s HIS 69 Ca 0.11 -0.29 -0.19 0.00 1.02 0.00 0.00 55.06 55.71 1xwd s HIS 69 Cb 0.12 -1.49 -0.07 0.00 -1.02 0.00 0.00 32.58 30.12 1xwd s HIS 69 CO -0.03 0.17 1.06 0.00 1.02 0.00 0.00 174.74 176.96 1xwd s ALA 70 N -0.81 2.79 0.24 -1.40 0.00 -1.26 -3.12 121.76 118.20 1xwd s ALA 70 Ca 0.13 0.61 -0.28 0.00 0.00 0.00 0.00 51.96 52.42 1xwd s ALA 70 Cb -0.10 -3.28 -0.09 0.00 0.00 0.00 0.00 23.12 19.65 1xwd s ALA 70 CO 0.03 -0.54 0.90 0.16 0.00 0.00 0.00 175.76 176.30 1xwd s ASP 71 N -2.11 7.51 0.34 0.00 -4.77 -1.26 -4.68 116.67 111.69 1xwd s ASP 71 Ca 0.68 1.84 0.04 0.00 -3.30 0.00 0.00 52.55 51.81 1xwd s ASP 71 Cb -0.18 -2.57 -0.06 0.00 -1.09 0.00 0.00 42.92 39.02 1xwd s ASP 71 CO 0.25 0.12 0.06 -0.94 0.70 0.00 0.00 175.17 175.37 1xwd s SER 72 N -1.29 2.47 -0.15 2.11 1.04 -0.99 -4.95 113.70 111.94 1xwd s SER 72 Ca 0.42 -1.42 -0.03 0.00 0.48 0.00 0.00 55.95 55.40 1xwd s SER 72 Cb -0.23 -0.01 -0.03 0.00 0.10 0.00 0.00 66.02 65.85 1xwd s SER 72 CO 0.29 -0.65 -0.05 -0.76 0.98 0.00 0.00 173.24 173.05 1xwd s LEU 73 N -3.51 3.20 -0.15 2.42 1.43 -1.26 -3.22 118.68 117.59 1xwd s LEU 73 Ca 0.34 -0.14 0.01 0.00 -1.03 0.00 0.00 54.13 53.31 1xwd s LEU 73 Cb 0.08 -1.77 0.02 0.00 0.03 0.00 0.00 46.19 44.55 1xwd s LEU 73 CO 0.15 0.17 -0.18 -0.47 0.23 0.00 0.00 176.35 176.25 1xwd s TYR 74 N 0.34 2.50 -0.22 0.29 5.04 -1.26 -5.04 117.35 119.01 1xwd s TYR 74 Ca -0.05 -1.38 -0.22 0.00 -2.44 0.00 0.00 57.07 52.98 1xwd s TYR 74 Cb -0.14 -1.75 -0.02 0.00 0.35 0.00 0.00 41.96 40.40 1xwd s TYR 74 CO 0.03 -0.69 0.71 0.95 -1.34 0.00 0.00 175.55 175.22 1xwd s THR 75 N 1.19 4.94 -0.11 4.34 -4.23 -1.26 -3.23 115.64 117.28 1xwd s THR 75 Ca 0.01 1.34 0.02 0.00 -1.18 0.00 0.00 61.69 61.88 1xwd s THR 75 Cb -0.14 -4.02 -0.01 0.00 1.34 0.00 0.00 72.50 69.68 1xwd s THR 75 CO -0.08 0.02 -0.18 -0.72 -0.54 0.00 0.00 174.62 173.12 1xwd s TYR 76 N 2.37 2.68 0.37 3.99 1.13 -0.31 -4.96 117.35 122.62 1xwd s TYR 76 Ca 0.31 -0.79 -0.27 0.00 -1.41 0.00 0.00 57.07 54.91 1xwd s TYR 76 Cb -0.16 -1.77 -0.09 0.00 -1.10 0.00 0.00 41.96 38.85 1xwd s TYR 76 CO 0.09 -0.28 1.19 -1.25 -2.51 0.00 0.00 175.55 172.80 1xwd s PRO 77 N 0.27 4.21 -0.05 -3.49 0.04 -1.26 -2.52 135.00 132.20 1xwd s PRO 77 Ca -0.13 1.93 0.07 0.00 0.04 0.00 0.00 61.00 62.91 1xwd s PRO 77 Cb -0.16 -2.85 -0.01 0.00 0.04 0.00 0.00 34.50 31.51 1xwd s PRO 77 CO 0.07 -0.21 -0.25 0.08 0.04 0.00 0.00 177.00 176.72 1xwd s VAL 78 N -1.31 2.06 -0.13 -0.36 1.01 0.13 -4.95 120.40 116.85 1xwd s VAL 78 Ca 0.53 -1.08 -0.29 0.00 0.00 0.00 0.00 61.98 61.14 1xwd s VAL 78 Cb -0.33 -1.73 -0.02 0.00 0.00 0.00 0.00 36.38 34.30 1xwd s VAL 78 CO 0.43 0.57 1.24 0.00 0.00 0.00 0.00 175.10 177.33 1xwd s ALA 79 N -0.27 3.61 -0.12 5.51 0.00 -1.10 -2.14 121.76 127.24 1xwd s ALA 79 Ca -0.00 0.50 -0.09 0.00 0.00 0.00 0.00 51.96 52.37 1xwd s ALA 79 Cb -0.13 -3.58 -0.26 0.00 0.00 0.00 0.00 23.12 19.15 1xwd s ALA 79 CO 0.03 -1.03 0.37 1.15 0.00 0.00 0.00 175.76 176.27 1xwd h THR 80 N 5.33 0.67 -3.85 0.00 2.02 -1.27 -3.44 112.91 112.38 1xwd h THR 80 Ca -0.29 -2.33 -0.31 0.00 0.77 0.00 0.00 66.41 64.25 1xwd h THR 80 Cb 1.12 2.49 -0.29 0.00 -1.74 0.00 0.00 68.15 69.74 1xwd h THR 80 CO 0.94 0.84 -0.75 -1.10 0.37 0.00 0.00 175.52 175.82 1xwd s GLN 81 N -2.54 0.35 -0.19 6.66 -0.21 -1.18 -4.94 119.66 117.61 1xwd s GLN 81 Ca -0.23 -0.14 -0.00 0.00 0.02 0.00 0.00 55.36 55.01 1xwd s GLN 81 Cb 0.06 -0.34 0.05 0.00 1.00 0.00 0.00 33.01 33.78 1xwd s GLN 81 CO 0.76 0.08 -0.06 0.00 -2.12 0.00 0.00 175.29 173.95 1xwd s HIS 83 N 1.53 1.93 -0.47 0.00 -3.43 -0.71 -4.63 115.29 109.50 1xwd s HIS 83 Ca -0.02 -0.96 -0.20 0.00 -0.80 0.00 0.00 55.06 53.09 1xwd s HIS 83 Cb -0.17 -1.58 0.04 0.00 -1.43 0.00 0.00 32.58 29.44 1xwd s HIS 83 CO -0.07 0.20 0.63 0.00 -2.00 0.00 0.00 174.74 173.50 1xwd n GLY 85 N 5.10 1.66 3.71 0.00 0.00 -0.73 -4.83 105.19 110.10 1xwd n GLY 85 Ca -0.04 -1.30 -0.42 0.00 0.00 0.00 0.00 46.02 44.26 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 -2.23 4.46 0.26 1.61 1.02 -1.26 -1.48 119.74 122.13 1xwd s LYS 86 Ca 0.14 1.62 -0.31 0.00 0.02 0.00 0.00 55.97 57.44 1xwd s LYS 86 Cb -0.03 -3.42 -0.12 0.00 -0.52 0.00 0.00 37.83 33.74 1xwd s LYS 86 CO 0.10 -0.21 1.59 0.00 -0.92 0.00 0.00 175.35 175.92 1xwd s ASP 88 N 0.62 6.34 0.34 0.00 -1.08 -1.26 -4.88 116.67 116.75 1xwd s ASP 88 Ca 0.68 -1.17 0.24 0.00 -0.52 0.00 0.00 52.55 51.77 1xwd s ASP 88 Cb -0.53 -2.49 1.25 0.00 -1.46 0.00 0.00 42.92 39.69 1xwd s ASP 88 CO 0.45 -1.49 1.73 0.77 0.52 0.00 0.00 175.17 177.15 1xwd h SER 89 N 9.60 0.00 0.30 -0.34 4.64 -1.90 0.62 113.55 126.47 1xwd h SER 89 Ca -0.08 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.23 1xwd h SER 89 Cb 1.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.13 1xwd h SER 89 CO 1.26 0.00 -0.08 0.44 -0.87 0.00 0.00 176.83 177.57 1xwd h ASP 90 N 0.00 0.00 0.00 4.97 5.19 -2.02 -3.29 116.42 121.27 1xwd h ASP 90 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1xwd h ASP 90 Cb 0.06 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.57 1xwd h ASP 90 CO 0.00 0.08 0.00 -1.54 -3.12 0.00 0.00 179.24 174.66 1xwd n SER 91 N -3.61 0.00 -4.54 6.45 3.41 -0.40 -5.09 113.62 109.84 1xwd n SER 91 Ca -0.02 -0.14 -0.32 0.00 -0.26 0.00 0.00 58.87 58.13 1xwd n SER 91 Cb 0.20 0.25 -0.11 0.00 -0.26 0.00 0.00 64.21 64.28 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 -0.25 3.36 -0.48 6.66 2.01 0.20 -5.05 115.64 122.10 1xwd s THR 92 Ca 0.00 -0.82 -0.12 0.00 0.31 0.00 0.00 61.69 61.07 1xwd s THR 92 Cb 0.00 -2.42 0.11 0.00 0.01 0.00 0.00 72.50 70.20 1xwd s THR 92 CO 0.00 0.44 0.38 -0.62 -0.69 0.00 0.00 174.62 174.13 1xwd s ASP 93 N -1.22 5.87 -0.30 3.53 2.15 -1.26 -4.35 116.67 121.08 1xwd s ASP 93 Ca 0.15 -1.76 -0.24 0.00 0.43 0.00 0.00 52.55 51.12 1xwd s ASP 93 Cb -0.11 -2.08 0.00 0.00 -0.30 0.00 0.00 42.92 40.44 1xwd s ASP 93 CO 0.05 -0.71 0.84 0.00 -0.17 0.00 0.00 175.17 175.17 1xwd s THR 95 N 3.05 0.23 -0.01 0.00 -4.23 -1.26 -5.03 115.64 108.39 1xwd s THR 95 Ca 0.34 -1.97 -0.10 0.00 -1.18 0.00 0.00 61.69 58.79 1xwd s THR 95 Cb -0.14 -2.35 -0.31 0.00 1.34 0.00 0.00 72.50 71.04 1xwd s THR 95 CO 0.13 -0.19 0.81 0.58 -0.54 0.00 0.00 174.62 175.40 1xwd h VAL 96 N 2.65 1.09 -3.07 2.29 2.07 -2.09 -3.46 116.25 115.74 1xwd h VAL 96 Ca -0.36 -2.65 -0.19 0.00 0.82 0.00 0.00 66.70 64.32 1xwd h VAL 96 Cb 1.23 2.83 -0.28 0.00 -1.52 0.00 0.00 31.29 33.55 1xwd h VAL 96 CO 0.57 0.84 -0.47 -0.60 0.02 0.00 0.00 177.57 177.93 1xwd s ARG 97 N -2.60 0.23 0.00 1.57 6.06 -1.26 -5.16 118.95 117.79 1xwd s ARG 97 Ca -0.12 0.46 0.00 0.00 -2.50 0.00 0.00 55.73 53.57 1xwd s ARG 97 Cb 0.06 -0.04 0.00 0.00 0.06 0.00 0.00 34.95 35.03 1xwd s ARG 97 CO 0.88 -0.12 0.00 0.41 -2.50 0.00 0.00 175.30 173.97 1xwd n GLY 98 N 3.81 3.29 0.00 8.12 0.00 -1.26 -5.03 105.19 114.12 1xwd n GLY 98 Ca -0.21 -2.13 0.13 0.00 0.00 0.00 0.00 46.02 43.81 1xwd n GLY 98 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1xwd n LEU 99 N 0.00 0.00 0.00 0.99 4.77 -1.26 -5.02 117.00 116.49 1xwd n LEU 99 Ca 0.00 0.50 0.00 0.00 -0.03 0.00 0.00 56.01 56.48 1xwd n LEU 99 Cb 0.00 -0.50 0.00 0.00 -2.33 0.00 0.00 43.42 40.59 1xwd n LEU 99 CO 0.00 -0.04 0.00 0.61 -1.33 0.00 0.00 177.39 176.63 1xwd n GLY 100 N 1.23 2.59 0.15 -0.72 0.00 -1.26 -4.66 105.19 102.52 1xwd n GLY 100 Ca 0.06 -1.91 -0.24 0.00 0.00 0.00 0.00 46.02 43.93 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 0.51 -2.41 1.61 0.11 -1.95 -3.34 132.00 126.53 1xwd h PRO 101 Ca 0.00 -0.87 -0.77 0.00 0.11 0.00 0.00 66.00 64.47 1xwd h PRO 101 Cb 0.00 0.32 -0.30 0.00 0.11 0.00 0.00 31.00 31.13 1xwd h PRO 101 CO 0.00 1.42 0.66 -1.13 -0.21 0.00 0.00 178.00 178.74 1xwd n SER 102 N -3.72 6.56 -4.65 -2.05 3.41 -1.19 -3.08 113.62 108.91 1xwd n SER 102 Ca -0.18 -3.61 -0.37 0.00 -0.26 0.00 0.00 58.87 54.44 1xwd n SER 102 Cb 1.09 -1.08 -0.09 0.00 -0.26 0.00 0.00 64.21 63.86 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 -3.76 3.31 -0.18 7.33 5.04 -1.26 -4.86 117.35 122.97 1xwd s TYR 103 Ca 0.38 0.35 0.01 0.00 -2.44 0.00 0.00 57.07 55.37 1xwd s TYR 103 Cb 0.17 -2.39 0.03 0.00 0.35 0.00 0.00 41.96 40.11 1xwd s TYR 103 CO -0.07 -0.02 -0.16 0.00 -1.34 0.00 0.00 175.55 173.96 1xwd n SER 105 N 4.65 0.00 -4.22 0.00 3.41 -1.26 -4.55 113.62 111.66 1xwd n SER 105 Ca -0.18 -0.00 -0.33 0.00 -0.26 0.00 0.00 58.87 58.10 1xwd n SER 105 Cb 0.49 -0.18 -0.16 0.00 -0.26 0.00 0.00 64.21 64.10 1xwd n SER 105 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 1xwd s PHE 106 N -2.36 2.69 0.00 7.33 0.08 -1.26 -5.13 117.98 119.34 1xwd s PHE 106 Ca 0.10 -1.17 0.00 0.00 0.12 0.00 0.00 56.93 55.98 1xwd s PHE 106 Cb 0.06 -1.82 0.00 0.00 -0.57 0.00 0.00 43.02 40.69 1xwd s PHE 106 CO 0.12 -0.52 0.00 0.41 -0.10 0.00 0.00 175.22 175.13