#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws1 s ALA 2 N 0.00 0.64 -0.51 3.17 0.00 -1.26 -5.09 121.76 118.70 1ws1 s ALA 2 Ca 0.00 -0.60 -0.20 0.00 0.00 0.00 0.00 51.96 51.16 1ws1 s ALA 2 Cb 0.00 -0.05 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1ws1 s ALA 2 CO 0.00 0.07 0.66 0.08 0.00 0.00 0.00 175.76 176.56 1ws1 s VAL 3 N -0.87 4.83 0.55 0.00 1.01 -1.26 -4.65 120.40 120.00 1ws1 s VAL 3 Ca -0.04 -0.43 -0.19 0.00 0.00 0.00 0.00 61.98 61.32 1ws1 s VAL 3 Cb -0.07 -4.33 -0.06 0.00 0.00 0.00 0.00 36.38 31.93 1ws1 s VAL 3 CO 0.00 -0.84 1.09 -0.76 0.00 0.00 0.00 175.10 174.59 1ws1 s LEU 4 N 2.75 3.71 -0.05 3.92 1.43 -1.26 -5.00 118.68 124.18 1ws1 s LEU 4 Ca 0.16 2.05 -0.29 0.00 -1.03 0.00 0.00 54.13 55.02 1ws1 s LEU 4 Cb -0.19 -4.57 -0.02 0.00 0.03 0.00 0.00 46.19 41.44 1ws1 s LEU 4 CO 0.12 -1.13 0.95 -0.70 0.23 0.00 0.00 176.35 175.82 1ws1 s GLU 5 N -3.45 4.49 -0.17 1.70 2.12 -1.26 -5.00 118.70 117.13 1ws1 s GLU 5 Ca 0.70 1.33 -0.27 0.00 0.36 0.00 0.00 54.97 57.08 1ws1 s GLU 5 Cb -0.20 -3.49 -0.01 0.00 0.26 0.00 0.00 34.13 30.69 1ws1 s GLU 5 CO 0.28 -0.14 0.93 0.42 -0.54 0.00 0.00 175.26 176.21 1ws1 s ILE 6 N 1.39 4.80 0.03 -3.70 1.01 -1.26 -4.55 121.20 118.93 1ws1 s ILE 6 Ca 0.48 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.67 1ws1 s ILE 6 Cb -0.19 -4.23 -0.06 0.00 0.01 0.00 0.00 42.46 37.99 1ws1 s ILE 6 CO 0.23 -0.03 1.38 -0.63 0.00 0.00 0.00 174.94 175.88 1ws1 s ILE 7 N 2.39 3.65 0.17 2.92 -1.09 0.26 -5.01 121.20 124.49 1ws1 s ILE 7 Ca 0.42 1.09 0.00 0.00 -2.23 0.00 0.00 60.65 59.94 1ws1 s ILE 7 Cb -0.17 -3.70 -0.04 0.00 -1.58 0.00 0.00 42.46 36.97 1ws1 s ILE 7 CO 0.12 0.03 0.34 -0.54 -1.23 0.00 0.00 174.94 173.66 1ws1 s LYS 8 N 1.95 3.49 -0.91 2.79 -0.14 -1.26 -4.40 119.74 121.26 1ws1 s LYS 8 Ca 0.63 -0.43 -0.25 0.00 -1.36 0.00 0.00 55.97 54.56 1ws1 s LYS 8 Cb -0.32 -2.89 -0.07 0.00 -1.68 0.00 0.00 37.83 32.86 1ws1 s LYS 8 CO 0.28 0.45 2.03 -1.58 -0.76 0.00 0.00 175.35 175.77 1ws1 s HIS 9 N -1.80 1.69 -0.36 3.18 5.65 0.18 -3.49 115.29 120.34 1ws1 s HIS 9 Ca 0.37 0.89 0.07 0.00 0.25 0.00 0.00 55.06 56.64 1ws1 s HIS 9 Cb -0.11 -3.92 0.29 0.00 -1.18 0.00 0.00 32.58 27.66 1ws1 s HIS 9 CO 0.29 -1.65 1.27 -0.35 -0.65 0.00 0.00 174.74 173.65 1ws1 n PRO 10 N 8.79 0.91 -3.63 2.88 -0.05 -1.26 -5.03 135.00 137.61 1ws1 n PRO 10 Ca 0.42 -1.41 -0.12 0.00 -0.05 0.00 0.00 63.50 62.34 1ws1 n PRO 10 Cb 0.46 0.02 -0.07 0.00 -0.05 0.00 0.00 33.50 33.86 1ws1 n PRO 10 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 175.50 176.66 1ws1 s ASN 11 N -0.89 -0.76 0.34 3.54 2.47 -1.23 -5.01 114.94 113.41 1ws1 s ASN 11 Ca 0.15 1.40 0.16 0.00 0.42 0.00 0.00 52.86 54.99 1ws1 s ASN 11 Cb 0.30 1.39 0.59 0.00 -1.45 0.00 0.00 41.25 42.09 1ws1 s ASN 11 CO -0.07 -0.24 1.70 -0.33 -3.72 0.00 0.00 177.10 174.45 1ws1 h GLU 12 N 5.37 0.00 -0.06 0.43 5.08 -2.01 -3.08 114.58 120.31 1ws1 h GLU 12 Ca -0.29 0.00 0.02 0.00 -1.00 0.00 0.00 59.36 58.09 1ws1 h GLU 12 Cb 1.18 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.42 1ws1 h GLU 12 CO 0.08 0.45 0.04 -0.24 -1.00 0.00 0.00 179.01 178.34 1ws1 h VAL 13 N 0.00 0.85 0.00 3.13 3.04 -1.95 -2.41 116.25 118.92 1ws1 h VAL 13 Ca -0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.66 1ws1 h VAL 13 Cb 0.94 0.97 -0.00 0.00 -2.01 0.00 0.00 31.29 31.19 1ws1 h VAL 13 CO 0.06 0.00 -0.13 -0.07 -1.01 0.00 0.00 177.57 176.41 1ws1 h LEU 14 N 0.00 0.00 -2.74 3.16 3.38 -1.80 -2.87 115.31 114.44 1ws1 h LEU 14 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1ws1 h LEU 14 Cb 0.11 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.86 1ws1 h LEU 14 CO -0.00 0.13 0.00 -0.62 0.09 0.00 0.00 178.44 178.04 1ws1 n GLU 15 N -4.25 2.73 -3.08 1.13 1.02 -0.91 -4.43 120.64 112.85 1ws1 n GLU 15 Ca -0.03 -2.54 -0.42 0.00 -0.02 0.00 0.00 57.16 54.15 1ws1 n GLU 15 Cb 0.21 -1.52 -0.06 0.00 -0.02 0.00 0.00 31.44 30.04 1ws1 n GLU 15 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 1ws1 s THR 16 N -1.03 4.84 0.44 2.62 2.01 -1.08 -4.56 115.64 118.87 1ws1 s THR 16 Ca 0.44 0.51 -0.25 0.00 0.31 0.00 0.00 61.69 62.70 1ws1 s THR 16 Cb 0.23 -4.14 -0.09 0.00 0.01 0.00 0.00 72.50 68.51 1ws1 s THR 16 CO 0.31 -0.42 1.34 -2.65 -0.69 0.00 0.00 174.62 172.51 1ws1 n PRO 17 N 6.19 2.07 -3.00 4.92 -0.02 -1.26 -4.13 135.00 139.77 1ws1 n PRO 17 Ca -0.01 0.74 -0.32 0.00 -2.02 0.00 0.00 63.50 61.89 1ws1 n PRO 17 Cb 0.48 -2.49 -0.06 0.00 -0.02 0.00 0.00 33.50 31.41 1ws1 n PRO 17 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1ws1 s GLU 19 N -3.17 3.94 0.57 0.00 0.41 -0.58 -4.67 118.70 115.21 1ws1 s GLU 19 Ca 0.56 0.82 -0.18 0.00 -0.41 0.00 0.00 54.97 55.75 1ws1 s GLU 19 Cb -0.10 -2.24 -0.04 0.00 -1.78 0.00 0.00 34.13 29.97 1ws1 s GLU 19 CO 0.19 -0.14 1.13 1.03 -0.49 0.00 0.00 175.26 176.97 1ws1 s ARG 20 N -3.82 3.20 0.12 1.61 0.52 -1.26 -1.17 118.95 118.14 1ws1 s ARG 20 Ca 0.57 1.58 -0.30 0.00 -0.52 0.00 0.00 55.73 57.05 1ws1 s ARG 20 Cb -0.10 -1.99 -0.06 0.00 0.52 0.00 0.00 34.95 33.32 1ws1 s ARG 20 CO 0.28 -0.97 1.11 0.08 0.02 0.00 0.00 175.30 175.82 1ws1 s VAL 21 N -1.89 4.07 -0.10 3.52 1.01 -1.26 -4.79 120.40 120.96 1ws1 s VAL 21 Ca 0.72 1.65 -0.02 0.00 0.00 0.00 0.00 61.98 64.33 1ws1 s VAL 21 Cb -0.24 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 32.04 1ws1 s VAL 21 CO 0.31 0.22 -0.10 -0.38 0.00 0.00 0.00 175.10 175.15 1ws1 n ILE 22 N 3.02 0.54 -3.52 2.22 5.41 -1.26 -4.93 119.36 120.83 1ws1 n ILE 22 Ca 0.05 -0.18 -0.41 0.00 1.00 0.00 0.00 62.75 63.21 1ws1 n ILE 22 Cb 0.47 -1.14 -0.10 0.00 -0.71 0.00 0.00 39.64 38.15 1ws1 n ILE 22 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 176.55 176.75 1ws1 s ASN 23 N -5.29 5.99 -1.04 4.38 0.01 -1.26 -4.99 114.94 112.75 1ws1 s ASN 23 Ca -0.13 -0.70 -0.18 0.00 -0.71 0.00 0.00 52.86 51.14 1ws1 s ASN 23 Cb 0.04 -2.12 0.12 0.00 0.41 0.00 0.00 41.25 39.70 1ws1 s ASN 23 CO 0.20 -0.34 1.30 -0.36 -1.51 0.00 0.00 177.10 176.39 1ws1 s PHE 24 N 1.67 3.08 0.40 2.20 0.40 -1.26 -4.87 117.98 119.60 1ws1 s PHE 24 Ca 0.05 -1.49 0.02 0.00 -0.60 0.00 0.00 56.93 54.91 1ws1 s PHE 24 Cb -0.18 -4.40 0.02 0.00 0.51 0.00 0.00 43.02 38.97 1ws1 s PHE 24 CO 0.09 -1.57 0.14 -0.40 0.70 0.00 0.00 175.22 174.18 1ws1 n ASP 25 N 6.88 2.74 -0.16 1.36 5.68 -1.26 -4.92 116.55 126.87 1ws1 n ASP 25 Ca 0.30 -2.57 -0.04 0.00 -0.50 0.00 0.00 54.79 51.98 1ws1 n ASP 25 Cb 0.48 0.13 0.15 0.00 -1.14 0.00 0.00 41.12 40.74 1ws1 n ASP 25 CO 0.00 0.00 0.00 0.11 -1.33 0.00 0.00 177.20 175.98 1ws1 h LYS 26 N 0.00 0.90 -0.55 0.11 1.57 -1.97 -2.27 116.57 114.37 1ws1 h LYS 26 Ca -0.29 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.24 1ws1 h LYS 26 Cb 0.97 -0.13 -0.03 0.00 0.08 0.00 0.00 32.23 33.12 1ws1 h LYS 26 CO 0.48 0.82 0.17 1.57 -0.57 0.00 0.00 179.45 181.92 1ws1 h LYS 27 N 0.86 0.82 -0.74 3.15 2.10 -1.96 -0.56 116.57 120.24 1ws1 h LYS 27 Ca 0.18 -0.15 -0.06 0.00 -2.00 0.00 0.00 60.65 58.63 1ws1 h LYS 27 Cb 0.34 -0.13 -0.03 0.00 -0.90 0.00 0.00 32.23 31.50 1ws1 h LYS 27 CO 0.00 0.71 0.23 1.25 -2.00 0.00 0.00 179.45 179.65 1ws1 h LEU 28 N 0.80 1.08 -0.54 7.07 5.85 -1.77 -0.20 115.31 127.60 1ws1 h LEU 28 Ca 0.18 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.65 1ws1 h LEU 28 Cb 0.24 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.96 1ws1 h LEU 28 CO -0.01 1.00 0.18 0.58 -0.34 0.00 0.00 178.44 179.85 1ws1 h VAL 29 N 1.10 1.23 -0.40 1.05 2.07 -0.70 -2.00 116.25 118.61 1ws1 h VAL 29 Ca 0.24 -0.77 -0.10 0.00 0.82 0.00 0.00 66.70 66.89 1ws1 h VAL 29 Cb 0.31 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.78 1ws1 h VAL 29 CO -0.01 0.29 -0.16 0.50 0.02 0.00 0.00 177.57 178.21 1ws1 h LYS 30 N 0.74 0.74 0.30 1.57 3.64 -0.82 -1.07 116.57 121.68 1ws1 h LYS 30 Ca 0.17 -0.27 0.00 0.00 -1.27 0.00 0.00 60.65 59.29 1ws1 h LYS 30 Cb 0.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 1ws1 h LYS 30 CO -0.01 0.86 -0.34 1.25 -2.27 0.00 0.00 179.45 178.95 1ws1 h LEU 31 N 0.67 -0.93 -0.50 5.20 5.85 -0.69 -0.65 115.31 124.26 1ws1 h LEU 31 Ca 0.11 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.97 1ws1 h LEU 31 Cb 0.64 0.32 -0.05 0.00 0.37 0.00 0.00 40.66 41.94 1ws1 h LEU 31 CO 0.05 -0.47 0.20 -0.07 -0.34 0.00 0.00 178.44 177.81 1ws1 h LEU 32 N -0.68 0.24 -0.12 2.25 3.38 -1.07 -0.10 115.31 119.21 1ws1 h LEU 32 Ca -0.01 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.01 1ws1 h LEU 32 Cb 0.63 0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.39 1ws1 h LEU 32 CO -0.09 0.17 0.08 0.11 0.09 0.00 0.00 178.44 178.80 1ws1 h LYS 33 N 0.40 0.16 -0.64 1.13 1.57 -1.10 -0.98 116.57 117.11 1ws1 h LYS 33 Ca 0.23 -0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1ws1 h LYS 33 Cb 0.22 -0.04 -0.03 0.00 0.08 0.00 0.00 32.23 32.46 1ws1 h LYS 33 CO -0.22 0.11 0.23 -0.44 -0.57 0.00 0.00 179.45 178.56 1ws1 h ASP 34 N 0.16 0.88 -0.34 0.86 3.32 -0.81 -2.90 116.42 117.58 1ws1 h ASP 34 Ca 0.04 -0.13 -0.02 0.00 0.02 0.00 0.00 57.03 56.94 1ws1 h ASP 34 Cb -0.02 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.29 1ws1 h ASP 34 CO -0.01 0.80 0.14 0.24 -1.72 0.00 0.00 179.24 178.69 1ws1 h MET 35 N 0.93 0.51 -0.08 3.56 2.86 -0.78 -1.29 114.93 120.64 1ws1 h MET 35 Ca 0.21 -0.09 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1ws1 h MET 35 Cb 0.22 -0.08 -0.00 0.00 0.06 0.00 0.00 31.60 31.79 1ws1 h MET 35 CO -0.01 0.49 0.04 1.25 1.06 0.00 0.00 176.91 179.74 1ws1 h HIS 36 N 0.41 0.11 -0.34 -0.22 -0.00 -0.99 0.54 115.15 114.66 1ws1 h HIS 36 Ca 0.11 -0.00 -0.07 0.00 -0.00 0.00 0.00 60.37 60.41 1ws1 h HIS 36 Cb 0.17 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1ws1 h HIS 36 CO -0.01 0.15 -0.08 0.93 -0.00 0.00 0.00 177.93 178.92 1ws1 h GLU 37 N 0.04 0.65 -0.68 5.26 4.39 -1.55 -1.76 114.58 120.93 1ws1 h GLU 37 Ca 0.03 -0.25 0.11 0.00 0.34 0.00 0.00 59.36 59.60 1ws1 h GLU 37 Cb 0.07 -0.04 -0.08 0.00 -0.10 0.00 0.00 28.75 28.60 1ws1 h GLU 37 CO -0.00 0.82 0.26 1.15 -1.16 0.00 0.00 179.01 180.07 1ws1 h THR 38 N 0.43 0.72 0.09 1.13 2.02 -1.08 0.27 112.91 116.50 1ws1 h THR 38 Ca 0.09 -0.15 -0.00 0.00 0.77 0.00 0.00 66.41 67.12 1ws1 h THR 38 Cb 0.58 0.26 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1ws1 h THR 38 CO 0.03 0.08 -0.05 -0.03 0.37 0.00 0.00 175.52 175.92 1ws1 h MET 39 N 0.42 -0.12 -0.65 6.66 1.85 -0.69 -2.03 114.93 120.37 1ws1 h MET 39 Ca 0.35 0.01 -0.01 0.00 -0.61 0.00 0.00 59.70 59.44 1ws1 h MET 39 Cb 0.48 0.03 -0.03 0.00 0.43 0.00 0.00 31.60 32.51 1ws1 h MET 39 CO -0.35 0.01 0.36 -0.07 -0.40 0.00 0.00 176.91 176.46 1ws1 h LEU 40 N -0.23 0.81 -1.42 3.39 3.38 -0.85 0.16 115.31 120.55 1ws1 h LEU 40 Ca -0.01 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 1ws1 h LEU 40 Cb 0.19 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 1ws1 h LEU 40 CO 0.02 0.66 0.27 0.40 0.09 0.00 0.00 178.44 179.89 1ws1 h ILE 41 N 0.89 1.15 -0.31 1.22 2.04 -0.31 -0.19 117.51 122.00 1ws1 h ILE 41 Ca 0.23 -0.37 0.00 0.00 1.00 0.00 0.00 64.86 65.72 1ws1 h ILE 41 Cb 0.03 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.59 1ws1 h ILE 41 CO -0.04 0.16 0.00 0.00 0.00 0.00 0.00 178.15 178.27 1ws1 n ALA 42 N -2.46 2.49 -1.98 1.87 0.00 -0.78 -4.93 120.51 114.72 1ws1 n ALA 42 Ca 0.04 -0.56 -0.17 0.00 0.00 0.00 0.00 53.44 52.76 1ws1 n ALA 42 Cb 0.09 -0.98 -0.03 0.00 0.00 0.00 0.00 19.45 18.53 1ws1 n ALA 42 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ws1 n ASP 43 N 0.40 -4.94 -4.93 0.00 8.00 -0.08 -5.03 116.55 109.98 1ws1 n ASP 43 Ca 0.10 0.16 -0.26 0.00 0.71 0.00 0.00 54.79 55.51 1ws1 n ASP 43 Cb 0.28 -3.98 0.01 0.00 -0.02 0.00 0.00 41.12 37.41 1ws1 n ASP 43 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ws1 s GLY 44 N -2.49 1.52 0.00 0.44 0.00 0.52 -4.99 107.32 102.32 1ws1 s GLY 44 Ca 0.00 -0.74 0.13 0.00 0.00 0.00 0.00 44.72 44.11 1ws1 s GLY 44 CO 0.00 -0.56 0.79 3.33 0.00 0.00 0.00 173.10 176.66 1ws1 n VAL 45 N -2.23 0.00 -3.80 1.40 0.24 -1.26 -4.49 118.33 108.20 1ws1 n VAL 45 Ca 0.01 -0.40 -0.09 0.00 -2.04 0.00 0.00 64.34 61.82 1ws1 n VAL 45 Cb 0.56 1.19 -0.03 0.00 -1.47 0.00 0.00 33.84 34.09 1ws1 n VAL 45 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 1ws1 s GLY 46 N -1.52 -0.03 -0.27 7.63 0.00 -1.26 -0.84 107.32 111.03 1ws1 s GLY 46 Ca 0.12 -0.30 -0.25 0.00 0.00 0.00 0.00 44.72 44.29 1ws1 s GLY 46 CO 0.29 -0.23 0.80 -2.27 0.00 0.00 0.00 173.10 171.69 1ws1 s LEU 47 N -2.90 -0.67 0.10 0.66 2.96 -0.58 -4.96 118.68 113.28 1ws1 s LEU 47 Ca 0.11 1.30 0.07 0.00 -0.22 0.00 0.00 54.13 55.39 1ws1 s LEU 47 Cb -0.03 2.31 -0.04 0.00 0.50 0.00 0.00 46.19 48.94 1ws1 s LEU 47 CO 0.02 -0.22 -0.11 0.00 -1.32 0.00 0.00 176.35 174.71 1ws1 s ALA 48 N 0.37 2.91 0.33 5.97 0.00 -1.26 -1.16 121.76 128.92 1ws1 s ALA 48 Ca 0.01 -1.24 0.06 0.00 0.00 0.00 0.00 51.96 50.78 1ws1 s ALA 48 Cb -0.05 -0.87 0.71 0.00 0.00 0.00 0.00 23.12 22.90 1ws1 s ALA 48 CO -0.01 0.63 1.88 0.00 0.00 0.00 0.00 175.76 178.26 1ws1 h ALA 49 N 3.71 1.70 0.00 0.00 0.00 -0.84 -1.01 119.26 122.82 1ws1 h ALA 49 Ca -0.49 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1ws1 h ALA 49 Cb 1.17 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ws1 h ALA 49 CO 0.51 0.09 -0.08 -1.00 0.00 0.00 0.00 179.25 178.77 1ws1 h PRO 50 N 0.82 0.00 0.00 0.00 0.13 -1.51 0.15 132.00 131.58 1ws1 h PRO 50 Ca 0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.56 1ws1 h PRO 50 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1ws1 h PRO 50 CO -0.20 0.08 0.00 1.04 -0.23 0.00 0.00 178.00 178.70 1ws1 n GLN 51 N -4.03 0.13 -0.38 0.86 6.02 -0.38 -1.88 117.38 117.72 1ws1 n GLN 51 Ca -0.03 0.43 0.07 0.00 -0.01 0.00 0.00 57.00 57.46 1ws1 n GLN 51 Cb 0.17 -1.78 0.19 0.00 1.02 0.00 0.00 30.24 29.84 1ws1 n GLN 51 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1ws1 n VAL 52 N -2.04 2.16 -0.99 5.09 0.24 0.37 0.89 118.33 124.05 1ws1 n VAL 52 Ca 0.02 -2.41 0.00 0.00 -2.04 0.00 0.00 64.34 59.90 1ws1 n VAL 52 Cb 0.17 -0.26 0.00 0.00 -1.47 0.00 0.00 33.84 32.28 1ws1 n VAL 52 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1ws1 n GLY 53 N -1.09 0.43 3.20 7.63 0.00 -0.79 -4.92 105.19 109.65 1ws1 n GLY 53 Ca 0.21 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.20 1ws1 n GLY 53 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws1 s VAL 54 N -2.00 2.98 -1.36 1.61 1.01 -0.29 -4.95 120.40 117.40 1ws1 s VAL 54 Ca 0.00 -1.09 -0.08 0.00 0.00 0.00 0.00 61.98 60.81 1ws1 s VAL 54 Cb 0.00 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.81 1ws1 s VAL 54 CO 0.00 0.11 2.76 -1.20 0.00 0.00 0.00 175.10 176.78 1ws1 n SER 55 N 4.67 8.20 -4.37 3.32 7.64 -1.26 -1.50 113.62 130.31 1ws1 n SER 55 Ca -0.15 -2.82 -0.27 0.00 1.01 0.00 0.00 58.87 56.63 1ws1 n SER 55 Cb 0.46 -1.46 -0.13 0.00 -1.01 0.00 0.00 64.21 62.08 1ws1 n SER 55 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1ws1 s LEU 56 N -0.87 2.33 -1.36 -3.43 1.43 -1.26 -1.52 118.68 114.00 1ws1 s LEU 56 Ca 0.63 -0.75 -0.16 0.00 -1.03 0.00 0.00 54.13 52.82 1ws1 s LEU 56 Cb 0.20 -1.11 0.06 0.00 0.03 0.00 0.00 46.19 45.37 1ws1 s LEU 56 CO -0.08 0.13 1.94 0.00 0.23 0.00 0.00 176.35 178.57 1ws1 n GLN 57 N 0.84 3.07 -4.12 1.70 6.02 -0.32 -4.49 117.38 120.09 1ws1 n GLN 57 Ca -0.17 -3.02 -0.20 0.00 -0.01 0.00 0.00 57.00 53.59 1ws1 n GLN 57 Cb 0.54 -3.38 -0.16 0.00 1.02 0.00 0.00 30.24 28.25 1ws1 n GLN 57 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 1ws1 s VAL 58 N 3.61 0.50 0.13 5.09 1.01 -1.26 -0.75 120.40 128.73 1ws1 s VAL 58 Ca 0.50 -0.09 -0.14 0.00 0.00 0.00 0.00 61.98 62.25 1ws1 s VAL 58 Cb 0.08 -0.54 0.02 0.00 0.00 0.00 0.00 36.38 35.95 1ws1 s VAL 58 CO 0.01 0.22 0.37 0.00 0.00 0.00 0.00 175.10 175.69 1ws1 s ALA 59 N 0.98 -0.72 0.01 5.51 0.00 -0.31 -0.24 121.76 126.98 1ws1 s ALA 59 Ca -0.10 -0.24 0.00 0.00 0.00 0.00 0.00 51.96 51.62 1ws1 s ALA 59 Cb -0.14 0.69 -0.01 0.00 0.00 0.00 0.00 23.12 23.66 1ws1 s ALA 59 CO -0.00 -0.64 -0.02 0.54 0.00 0.00 0.00 175.76 175.63 1ws1 s VAL 60 N -3.84 0.13 0.10 0.00 0.11 -0.31 -0.13 120.40 116.46 1ws1 s VAL 60 Ca 0.05 -0.48 0.06 0.00 -2.93 0.00 0.00 61.98 58.68 1ws1 s VAL 60 Cb 0.02 -0.19 -0.03 0.00 -1.53 0.00 0.00 36.38 34.65 1ws1 s VAL 60 CO -0.10 -0.22 -0.14 0.68 -3.33 0.00 0.00 175.10 171.99 1ws1 s VAL 61 N -0.72 1.23 -0.39 2.04 -7.23 -0.69 -1.53 120.40 113.12 1ws1 s VAL 61 Ca -0.07 -1.55 0.07 0.00 -1.81 0.00 0.00 61.98 58.61 1ws1 s VAL 61 Cb -0.05 -1.35 0.18 0.00 0.56 0.00 0.00 36.38 35.72 1ws1 s VAL 61 CO -0.00 -0.34 0.65 -0.62 -0.31 0.00 0.00 175.10 174.48 1ws1 s ASP 62 N -2.16 -1.47 -0.04 4.85 -1.08 -0.02 -0.17 116.67 116.58 1ws1 s ASP 62 Ca 0.04 -0.65 0.16 0.00 -0.52 0.00 0.00 52.55 51.58 1ws1 s ASP 62 Cb -0.07 1.88 -0.24 0.00 -1.46 0.00 0.00 42.92 43.03 1ws1 s ASP 62 CO 0.03 -0.17 0.30 1.33 0.52 0.00 0.00 175.17 177.18 1ws1 n VAL 63 N 4.47 0.15 -3.91 1.11 0.24 -1.26 -4.65 118.33 114.49 1ws1 n VAL 63 Ca 0.10 -0.40 -0.10 0.00 -2.04 0.00 0.00 64.34 61.89 1ws1 n VAL 63 Cb 0.57 0.02 -0.10 0.00 -1.47 0.00 0.00 33.84 32.86 1ws1 n VAL 63 CO 0.00 0.00 0.00 -1.81 -2.14 0.00 0.00 176.83 172.88 1ws1 s ASP 64 N -3.98 0.09 0.03 -1.34 1.01 -1.26 -5.06 116.67 106.15 1ws1 s ASP 64 Ca -0.06 -0.28 -0.26 0.00 0.71 0.00 0.00 52.55 52.66 1ws1 s ASP 64 Cb 0.09 0.17 -0.17 0.00 1.01 0.00 0.00 42.92 44.02 1ws1 s ASP 64 CO 0.65 -0.33 1.41 0.44 0.21 0.00 0.00 175.17 177.56 1ws1 h ASP 65 N 4.50 -0.23 -0.07 0.27 5.19 -1.95 0.46 116.42 124.60 1ws1 h ASP 65 Ca -0.31 -0.18 0.01 0.00 -0.62 0.00 0.00 57.03 55.93 1ws1 h ASP 65 Cb 1.20 0.06 -0.02 0.00 0.18 0.00 0.00 39.33 40.75 1ws1 h ASP 65 CO 0.41 0.06 -0.16 -2.24 -3.12 0.00 0.00 179.24 174.19 1ws1 h ASP 66 N -0.52 -0.50 0.04 6.45 2.03 -2.05 -2.92 116.42 118.96 1ws1 h ASP 66 Ca -0.03 0.06 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 1ws1 h ASP 66 Cb 0.39 0.20 -0.01 0.00 -0.83 0.00 0.00 39.33 39.08 1ws1 h ASP 66 CO 0.04 -0.13 -0.13 0.74 -1.03 0.00 0.00 179.24 178.74 1ws1 h THR 67 N -0.15 0.00 0.00 1.15 2.02 -2.01 -3.48 112.91 110.45 1ws1 h THR 67 Ca 0.01 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.19 1ws1 h THR 67 Cb 0.18 0.00 0.00 0.00 -1.74 0.00 0.00 68.15 66.59 1ws1 h THR 67 CO -0.14 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.36 1ws1 n GLY 68 N -1.12 -1.79 3.77 2.16 0.00 0.16 -4.93 105.19 103.44 1ws1 n GLY 68 Ca -0.02 -1.89 -0.38 0.00 0.00 0.00 0.00 46.02 43.73 1ws1 n GLY 68 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws1 s LYS 69 N 0.00 3.93 -0.25 1.61 -2.85 -1.26 -4.52 119.74 116.40 1ws1 s LYS 69 Ca 0.00 1.95 -0.01 0.00 -1.00 0.00 0.00 55.97 56.91 1ws1 s LYS 69 Cb 0.00 -2.64 0.07 0.00 -2.06 0.00 0.00 37.83 33.20 1ws1 s LYS 69 CO 0.00 -0.46 0.03 0.42 0.10 0.00 0.00 175.35 175.44 1ws1 s ILE 70 N -1.38 1.00 0.06 3.79 1.01 0.76 -4.98 121.20 121.47 1ws1 s ILE 70 Ca 0.59 -1.08 -0.23 0.00 0.00 0.00 0.00 60.65 59.92 1ws1 s ILE 70 Cb -0.33 -1.52 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 1ws1 s ILE 70 CO 0.42 -0.33 0.69 -1.61 0.00 0.00 0.00 174.94 174.11 1ws1 s GLU 71 N 1.61 4.42 -0.11 2.79 2.02 -1.26 -1.70 118.70 126.47 1ws1 s GLU 71 Ca 0.01 0.95 0.02 0.00 0.02 0.00 0.00 54.97 55.97 1ws1 s GLU 71 Cb -0.18 -3.31 0.01 0.00 0.10 0.00 0.00 34.13 30.75 1ws1 s GLU 71 CO -0.13 0.43 -0.16 -0.51 0.02 0.00 0.00 175.26 174.91 1ws1 s LEU 72 N -0.51 1.77 -0.05 1.80 1.43 0.81 -4.82 118.68 119.11 1ws1 s LEU 72 Ca 0.34 -0.45 0.05 0.00 -1.03 0.00 0.00 54.13 53.05 1ws1 s LEU 72 Cb -0.20 -1.13 -0.01 0.00 0.03 0.00 0.00 46.19 44.88 1ws1 s LEU 72 CO 0.22 0.03 -0.21 -0.63 0.23 0.00 0.00 176.35 175.98 1ws1 s ILE 73 N 0.95 1.75 -1.60 -0.59 1.01 -0.86 -1.16 121.20 120.69 1ws1 s ILE 73 Ca -0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 60.65 59.57 1ws1 s ILE 73 Cb -0.15 -1.49 0.10 0.00 0.01 0.00 0.00 42.46 40.93 1ws1 s ILE 73 CO -0.01 0.49 0.67 0.59 0.00 0.00 0.00 174.94 176.68 1ws1 n ASN 74 N 3.06 -2.37 -4.77 3.58 3.02 0.07 -0.07 115.26 117.78 1ws1 n ASN 74 Ca -0.18 -1.00 -0.39 0.00 -0.03 0.00 0.00 54.58 52.98 1ws1 n ASN 74 Cb 0.52 -2.90 -0.02 0.00 -0.61 0.00 0.00 39.78 36.78 1ws1 n ASN 74 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1ws1 s PRO 75 N -6.81 4.10 0.03 3.52 0.04 -1.26 -4.62 135.00 130.00 1ws1 s PRO 75 Ca 0.49 1.94 0.03 0.00 0.04 0.00 0.00 61.00 63.49 1ws1 s PRO 75 Cb -0.26 -2.76 -0.02 0.00 0.04 0.00 0.00 34.50 31.50 1ws1 s PRO 75 CO 0.91 -0.31 -0.08 -1.54 0.04 0.00 0.00 177.00 176.01 1ws1 s SER 76 N -0.97 0.93 -0.34 6.66 1.04 0.04 -5.00 113.70 116.07 1ws1 s SER 76 Ca 0.55 -0.43 -0.21 0.00 0.48 0.00 0.00 55.95 56.35 1ws1 s SER 76 Cb -0.33 -0.01 -0.00 0.00 0.10 0.00 0.00 66.02 65.77 1ws1 s SER 76 CO 0.42 -0.10 0.64 -0.63 0.98 0.00 0.00 173.24 174.55 1ws1 s ILE 77 N -1.00 4.90 0.03 -1.02 1.01 -1.26 -1.27 121.20 122.59 1ws1 s ILE 77 Ca -0.05 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.37 1ws1 s ILE 77 Cb -0.08 -4.05 -0.23 0.00 0.01 0.00 0.00 42.46 38.11 1ws1 s ILE 77 CO 0.00 -0.25 0.96 -0.07 0.00 0.00 0.00 174.94 175.58 1ws1 h LEU 78 N 9.31 0.11 -7.51 2.97 3.38 -1.20 -3.48 115.31 118.89 1ws1 h LEU 78 Ca -0.26 -0.15 -0.08 0.00 0.09 0.00 0.00 57.88 57.47 1ws1 h LEU 78 Cb 1.11 -0.03 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1ws1 h LEU 78 CO 0.83 1.13 -0.19 -0.70 0.09 0.00 0.00 178.44 179.59 1ws1 s GLU 79 N -2.65 0.88 0.00 1.13 2.12 -1.09 -4.96 118.70 114.14 1ws1 s GLU 79 Ca -0.04 -0.54 -0.01 0.00 0.36 0.00 0.00 54.97 54.75 1ws1 s GLU 79 Cb 0.08 0.38 -0.01 0.00 0.26 0.00 0.00 34.13 34.85 1ws1 s GLU 79 CO 0.83 -0.30 0.01 0.15 -0.54 0.00 0.00 175.26 175.41 1ws1 s LYS 80 N -2.83 0.17 -0.09 4.30 1.02 -1.26 -1.55 119.74 119.51 1ws1 s LYS 80 Ca -0.03 -0.26 -0.07 0.00 0.02 0.00 0.00 55.97 55.63 1ws1 s LYS 80 Cb 0.00 0.07 0.03 0.00 -0.52 0.00 0.00 37.83 37.40 1ws1 s LYS 80 CO -0.05 -0.03 0.22 1.03 -0.92 0.00 0.00 175.35 175.60 1ws1 s ARG 81 N -0.68 0.24 0.14 1.68 1.81 -0.40 -5.00 118.95 116.74 1ws1 s ARG 81 Ca -0.08 0.35 0.00 0.00 -1.72 0.00 0.00 55.73 54.29 1ws1 s ARG 81 Cb -0.05 0.07 0.00 0.00 -0.45 0.00 0.00 34.95 34.52 1ws1 s ARG 81 CO -0.00 -0.06 0.00 0.41 -0.68 0.00 0.00 175.30 174.97 1ws1 n GLY 82 N 3.25 -2.00 3.07 -3.53 0.00 -1.26 -0.61 105.19 104.10 1ws1 n GLY 82 Ca -0.16 -1.39 -0.08 0.00 0.00 0.00 0.00 46.02 44.40 1ws1 n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ws1 s GLU 83 N -2.15 0.55 -0.00 1.61 2.02 -1.26 -1.89 118.70 117.57 1ws1 s GLU 83 Ca 0.00 -1.04 -0.03 0.00 0.02 0.00 0.00 54.97 53.92 1ws1 s GLU 83 Cb 0.00 0.12 -0.00 0.00 0.10 0.00 0.00 34.13 34.34 1ws1 s GLU 83 CO 0.00 -0.08 0.05 1.14 0.02 0.00 0.00 175.26 176.40 1ws1 s GLN 84 N -3.12 0.27 -0.06 1.61 -2.07 0.89 -4.62 119.66 112.56 1ws1 s GLN 84 Ca 0.00 -0.29 0.05 0.00 -1.82 0.00 0.00 55.36 53.31 1ws1 s GLN 84 Cb 0.02 0.11 -0.01 0.00 -1.09 0.00 0.00 33.01 32.04 1ws1 s GLN 84 CO -0.07 -0.05 -0.23 0.08 -1.32 0.00 0.00 175.29 173.71 1ws1 s VAL 85 N -0.88 1.88 0.04 3.63 1.01 -1.26 -1.24 120.40 123.58 1ws1 s VAL 85 Ca -0.10 -0.96 -0.28 0.00 0.00 0.00 0.00 61.98 60.65 1ws1 s VAL 85 Cb -0.06 -1.60 0.10 0.00 0.00 0.00 0.00 36.38 34.82 1ws1 s VAL 85 CO 0.00 0.52 1.20 -0.83 0.00 0.00 0.00 175.10 176.00 1ws1 s GLY 86 N 0.00 -0.25 0.18 4.51 0.00 -0.98 -4.96 107.32 105.82 1ws1 s GLY 86 Ca -0.07 0.32 -0.30 0.00 0.00 0.00 0.00 44.72 44.67 1ws1 s GLY 86 CO 0.04 1.67 1.10 2.56 0.00 0.00 0.00 173.10 178.47 1ws1 s PRO 87 N -2.42 4.59 0.02 2.90 0.04 -1.26 -0.35 135.00 138.52 1ws1 s PRO 87 Ca 0.18 1.73 0.01 0.00 0.04 0.00 0.00 61.00 62.96 1ws1 s PRO 87 Cb 0.02 -3.27 -0.02 0.00 0.04 0.00 0.00 34.50 31.27 1ws1 s PRO 87 CO -0.01 0.07 -0.05 -1.21 0.04 0.00 0.00 177.00 175.84 1ws1 s GLU 88 N -0.40 0.40 0.39 4.56 2.02 0.07 -4.92 118.70 120.83 1ws1 s GLU 88 Ca 0.49 -0.52 0.03 0.00 0.02 0.00 0.00 54.97 54.99 1ws1 s GLU 88 Cb -0.30 -0.20 -0.01 0.00 0.10 0.00 0.00 34.13 33.72 1ws1 s GLU 88 CO 0.35 0.04 0.10 0.41 0.02 0.00 0.00 175.26 176.18 1ws1 n GLY 89 N 1.99 3.38 3.38 -1.39 0.00 -1.26 -1.46 105.19 109.82 1ws1 n GLY 89 Ca -0.20 -2.16 -0.12 0.00 0.00 0.00 0.00 46.02 43.55 1ws1 n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws1 h LEU 91 N 6.18 0.00 -0.63 0.00 3.38 -1.96 0.16 115.31 122.43 1ws1 h LEU 91 Ca -0.31 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.66 1ws1 h LEU 91 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1ws1 h LEU 91 CO 0.22 0.00 -0.22 -1.20 0.09 0.00 0.00 178.44 177.33 1ws1 n SER 92 N -2.59 1.21 -3.14 -0.43 7.64 -1.26 -4.24 113.62 110.81 1ws1 n SER 92 Ca -0.01 -1.06 -0.23 0.00 1.01 0.00 0.00 58.87 58.58 1ws1 n SER 92 Cb 0.10 0.13 -0.05 0.00 -1.01 0.00 0.00 64.21 63.38 1ws1 n SER 92 CO 0.00 0.00 0.00 0.49 -3.01 0.00 0.00 175.04 172.52 1ws1 n PHE 93 N -0.43 1.73 -1.60 1.43 3.01 0.04 0.49 117.46 122.13 1ws1 n PHE 93 Ca 0.13 -3.88 -0.51 0.00 1.01 0.00 0.00 57.45 54.20 1ws1 n PHE 93 Cb 0.36 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.33 1ws1 n PHE 93 CO 0.00 0.00 0.00 -0.35 1.01 0.00 0.00 176.76 177.42 1ws1 n PRO 94 N 0.37 1.25 0.00 -1.08 -0.04 -1.23 -1.20 135.00 133.06 1ws1 n PRO 94 Ca 0.27 0.45 0.00 0.00 -0.04 0.00 0.00 63.50 64.18 1ws1 n PRO 94 Cb 0.52 -2.10 0.00 0.00 -0.04 0.00 0.00 33.50 31.88 1ws1 n PRO 94 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ws1 n GLY 95 N 2.58 1.72 3.69 0.55 0.00 -1.26 -5.02 105.19 107.45 1ws1 n GLY 95 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 1ws1 n GLY 95 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ws1 s LEU 96 N 0.00 4.16 0.00 0.99 2.96 -0.34 -5.08 118.68 121.38 1ws1 s LEU 96 Ca 0.00 0.22 0.02 0.00 -0.22 0.00 0.00 54.13 54.15 1ws1 s LEU 96 Cb 0.00 -2.15 -0.01 0.00 0.50 0.00 0.00 46.19 44.53 1ws1 s LEU 96 CO 0.00 0.10 -0.07 -0.31 -1.32 0.00 0.00 176.35 174.75 1ws1 s TYR 97 N 0.78 0.64 0.17 5.38 1.51 -1.26 -4.19 117.35 120.38 1ws1 s TYR 97 Ca 0.09 -0.17 -0.10 0.00 -1.01 0.00 0.00 57.07 55.88 1ws1 s TYR 97 Cb -0.13 -0.41 -0.01 0.00 -0.11 0.00 0.00 41.96 41.31 1ws1 s TYR 97 CO 0.02 -0.02 0.31 0.20 -1.11 0.00 0.00 175.55 174.96 1ws1 s GLY 98 N -0.39 0.44 0.01 0.71 0.00 -0.54 -2.14 107.32 105.42 1ws1 s GLY 98 Ca 0.01 -0.84 -0.23 0.00 0.00 0.00 0.00 44.72 43.66 1ws1 s GLY 98 CO -0.00 -0.79 0.70 1.85 0.00 0.00 0.00 173.10 174.86 1ws1 s GLU 99 N -3.96 4.43 -0.02 2.90 2.12 -0.06 -0.75 118.70 123.36 1ws1 s GLU 99 Ca 0.17 0.93 -0.01 0.00 0.36 0.00 0.00 54.97 56.42 1ws1 s GLU 99 Cb 0.03 -3.37 0.02 0.00 0.26 0.00 0.00 34.13 31.07 1ws1 s GLU 99 CO 0.00 0.28 0.04 0.08 -0.54 0.00 0.00 175.26 175.12 1ws1 s VAL 100 N 0.01 -0.03 -0.24 3.70 1.01 0.52 0.98 120.40 126.36 1ws1 s VAL 100 Ca 0.36 0.11 -0.10 0.00 0.00 0.00 0.00 61.98 62.34 1ws1 s VAL 100 Cb -0.19 -0.07 -0.05 0.00 0.00 0.00 0.00 36.38 36.06 1ws1 s VAL 100 CO 0.20 0.04 0.16 -0.70 0.00 0.00 0.00 175.10 174.80 1ws1 s GLU 101 N 0.55 4.05 0.34 2.72 2.12 -1.26 -2.31 118.70 124.91 1ws1 s GLU 101 Ca -0.04 -0.28 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1ws1 s GLU 101 Cb -0.06 -3.53 -0.04 0.00 0.26 0.00 0.00 34.13 30.75 1ws1 s GLU 101 CO -0.02 0.05 0.11 1.03 -0.54 0.00 0.00 175.26 175.89 1ws1 s ARG 102 N 1.07 1.69 0.57 4.30 1.81 -0.37 -4.96 118.95 123.06 1ws1 s ARG 102 Ca 0.07 -1.97 -0.19 0.00 -1.72 0.00 0.00 55.73 51.93 1ws1 s ARG 102 Cb -0.14 -0.52 -0.05 0.00 -0.45 0.00 0.00 34.95 33.80 1ws1 s ARG 102 CO 0.05 -0.35 1.13 0.00 -0.68 0.00 0.00 175.30 175.44 1ws1 s ALA 103 N -3.41 2.64 -0.16 2.13 0.00 -1.26 -0.08 121.76 121.62 1ws1 s ALA 103 Ca 0.32 0.79 -0.15 0.00 0.00 0.00 0.00 51.96 52.93 1ws1 s ALA 103 Cb 0.06 -3.36 -0.11 0.00 0.00 0.00 0.00 23.12 19.71 1ws1 s ALA 103 CO 0.15 -0.89 0.07 0.22 0.00 0.00 0.00 175.76 175.32 1ws1 h ASP 104 N 0.97 0.00 -2.86 0.00 3.58 -1.15 -3.42 116.42 113.54 1ws1 h ASP 104 Ca -0.49 -0.28 -0.67 0.00 0.42 0.00 0.00 57.03 56.00 1ws1 h ASP 104 Cb 1.26 0.00 -0.09 0.00 1.72 0.00 0.00 39.33 42.22 1ws1 h ASP 104 CO 0.56 1.04 -0.53 -0.47 -2.88 0.00 0.00 179.24 176.96 1ws1 s TYR 105 N -2.21 3.46 0.02 0.28 5.04 0.22 -2.62 117.35 121.54 1ws1 s TYR 105 Ca -0.19 0.42 -0.01 0.00 -2.44 0.00 0.00 57.07 54.85 1ws1 s TYR 105 Cb 0.03 -1.89 -0.02 0.00 0.35 0.00 0.00 41.96 40.43 1ws1 s TYR 105 CO 0.38 0.65 -0.02 0.96 -1.34 0.00 0.00 175.55 176.19 1ws1 s ILE 106 N -0.99 0.12 -0.13 3.14 -4.36 0.07 -1.28 121.20 117.77 1ws1 s ILE 106 Ca 0.15 -1.00 0.03 0.00 -0.26 0.00 0.00 60.65 59.56 1ws1 s ILE 106 Cb -0.12 -0.43 0.01 0.00 1.25 0.00 0.00 42.46 43.17 1ws1 s ILE 106 CO 0.04 -0.55 -0.22 -0.75 0.24 0.00 0.00 174.94 173.70 1ws1 s LYS 107 N -1.77 3.05 0.01 0.37 2.20 -0.59 -0.92 119.74 122.08 1ws1 s LYS 107 Ca -0.13 -0.86 0.08 0.00 -0.36 0.00 0.00 55.97 54.70 1ws1 s LYS 107 Cb -0.08 -2.40 -0.02 0.00 -1.51 0.00 0.00 37.83 33.82 1ws1 s LYS 107 CO -0.02 0.05 -0.24 0.08 -0.36 0.00 0.00 175.35 174.86 1ws1 s VAL 108 N 0.66 1.93 -0.14 4.02 1.01 0.15 -0.57 120.40 127.45 1ws1 s VAL 108 Ca -0.11 -1.15 0.02 0.00 0.00 0.00 0.00 61.98 60.73 1ws1 s VAL 108 Cb -0.16 -1.63 -0.00 0.00 0.00 0.00 0.00 36.38 34.59 1ws1 s VAL 108 CO 0.02 0.44 -0.18 -0.60 0.00 0.00 0.00 175.10 174.78 1ws1 s ARG 109 N -0.84 3.16 0.34 2.72 3.52 -0.40 -0.23 118.95 127.22 1ws1 s ARG 109 Ca 0.10 -0.79 -0.10 0.00 -0.13 0.00 0.00 55.73 54.81 1ws1 s ARG 109 Cb -0.09 -2.51 0.02 0.00 -1.56 0.00 0.00 34.95 30.80 1ws1 s ARG 109 CO 0.00 0.07 0.59 0.00 -0.81 0.00 0.00 175.30 175.16 1ws1 s ALA 110 N 0.65 -0.01 0.12 6.12 0.00 -0.98 -0.78 121.76 126.88 1ws1 s ALA 110 Ca -0.09 -1.09 0.09 0.00 0.00 0.00 0.00 51.96 50.86 1ws1 s ALA 110 Cb -0.16 0.96 -0.04 0.00 0.00 0.00 0.00 23.12 23.88 1ws1 s ALA 110 CO 0.02 -0.88 -0.17 -0.65 0.00 0.00 0.00 175.76 174.09 1ws1 s GLN 111 N -3.00 1.84 0.40 0.00 -0.21 0.90 -0.78 119.66 118.81 1ws1 s GLN 111 Ca 0.23 -1.17 0.01 0.00 0.02 0.00 0.00 55.36 54.46 1ws1 s GLN 111 Cb -0.02 -2.14 0.08 0.00 1.00 0.00 0.00 33.01 31.92 1ws1 s GLN 111 CO 0.15 0.48 0.56 0.27 -2.12 0.00 0.00 175.29 174.62 1ws1 n ASN 112 N 0.74 0.90 0.14 5.90 0.23 -0.69 -2.03 115.26 120.45 1ws1 n ASN 112 Ca -0.15 -1.72 0.18 0.00 -0.53 0.00 0.00 54.58 52.36 1ws1 n ASN 112 Cb 0.53 -0.35 0.78 0.00 -2.08 0.00 0.00 39.78 38.66 1ws1 n ASN 112 CO 0.00 0.00 0.00 0.03 -0.93 0.00 0.00 177.26 176.36 1ws1 h ARG 113 N 0.00 0.00 -0.30 -3.83 3.08 -1.94 0.80 114.38 112.19 1ws1 h ARG 113 Ca -0.18 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.87 1ws1 h ARG 113 Cb 0.72 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.77 1ws1 h ARG 113 CO 0.21 0.00 0.00 0.54 -1.07 0.00 0.00 179.97 179.65 1ws1 n ARG 114 N -3.83 2.19 -0.79 0.04 1.74 -1.26 -4.69 116.66 110.05 1ws1 n ARG 114 Ca 0.04 -1.80 0.00 0.00 -0.77 0.00 0.00 57.85 55.33 1ws1 n ARG 114 Cb 0.46 -1.46 0.00 0.00 -1.02 0.00 0.00 32.46 30.44 1ws1 n ARG 114 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1ws1 n GLY 115 N 1.35 0.71 3.77 -0.13 0.00 0.27 -5.01 105.19 106.15 1ws1 n GLY 115 Ca 0.18 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.81 1ws1 n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ws1 s LYS 116 N -0.21 4.71 -0.10 1.61 -0.14 -1.26 -4.76 119.74 119.59 1ws1 s LYS 116 Ca 0.00 1.36 -0.21 0.00 -1.36 0.00 0.00 55.97 55.76 1ws1 s LYS 116 Cb 0.00 -3.13 -0.04 0.00 -1.68 0.00 0.00 37.83 32.99 1ws1 s LYS 116 CO 0.00 0.46 0.60 0.08 -0.76 0.00 0.00 175.35 175.73 1ws1 s VAL 117 N -1.31 5.10 0.40 3.17 1.01 -1.26 -1.70 120.40 125.81 1ws1 s VAL 117 Ca 0.43 1.21 0.04 0.00 0.00 0.00 0.00 61.98 63.66 1ws1 s VAL 117 Cb -0.23 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.16 1ws1 s VAL 117 CO 0.28 0.26 0.04 0.72 0.00 0.00 0.00 175.10 176.41 1ws1 s PHE 118 N 0.87 2.09 -0.08 5.22 -0.12 0.04 -4.98 117.98 121.02 1ws1 s PHE 118 Ca 0.32 -0.92 0.04 0.00 -0.05 0.00 0.00 56.93 56.32 1ws1 s PHE 118 Cb -0.16 -1.48 0.00 0.00 -0.63 0.00 0.00 43.02 40.75 1ws1 s PHE 118 CO 0.14 0.14 -0.19 -0.51 -0.05 0.00 0.00 175.22 174.75 1ws1 s LEU 119 N -3.64 1.92 -0.01 -1.99 1.43 -1.26 -2.31 118.68 112.81 1ws1 s LEU 119 Ca 0.29 -0.44 0.04 0.00 -1.03 0.00 0.00 54.13 52.99 1ws1 s LEU 119 Cb 0.07 -1.15 -0.01 0.00 0.03 0.00 0.00 46.19 45.13 1ws1 s LEU 119 CO 0.14 0.13 -0.12 -0.22 0.23 0.00 0.00 176.35 176.50 1ws1 s LEU 120 N 0.35 2.01 -0.06 1.79 2.96 0.68 -4.99 118.68 121.42 1ws1 s LEU 120 Ca -0.14 -0.22 0.05 0.00 -0.22 0.00 0.00 54.13 53.60 1ws1 s LEU 120 Cb -0.16 -0.63 -0.01 0.00 0.50 0.00 0.00 46.19 45.88 1ws1 s LEU 120 CO 0.06 0.15 -0.22 -1.61 -1.32 0.00 0.00 176.35 173.40 1ws1 s GLU 121 N -0.26 2.56 0.16 1.98 2.02 -1.26 0.30 118.70 124.21 1ws1 s GLU 121 Ca 0.04 -0.85 -0.03 0.00 0.02 0.00 0.00 54.97 54.15 1ws1 s GLU 121 Cb -0.05 -2.23 -0.03 0.00 0.10 0.00 0.00 34.13 31.92 1ws1 s GLU 121 CO -0.00 0.43 0.13 0.00 0.02 0.00 0.00 175.26 175.83 1ws1 s ALA 122 N -0.27 0.76 0.27 5.21 0.00 -0.10 -4.99 121.76 122.64 1ws1 s ALA 122 Ca 0.00 -1.41 -0.13 0.00 0.00 0.00 0.00 51.96 50.42 1ws1 s ALA 122 Cb -0.13 1.01 0.00 0.00 0.00 0.00 0.00 23.12 24.00 1ws1 s ALA 122 CO 0.03 -0.55 0.54 -1.83 0.00 0.00 0.00 175.76 173.94 1ws1 s GLU 123 N -4.06 1.68 5.52 0.00 -1.05 -1.26 -0.75 118.70 118.78 1ws1 s GLU 123 Ca 0.27 -1.28 0.00 0.00 -0.15 0.00 0.00 54.97 53.81 1ws1 s GLU 123 Cb 0.06 0.50 0.00 0.00 -0.44 0.00 0.00 34.13 34.25 1ws1 s GLU 123 CO 0.04 -0.72 0.00 0.41 0.95 0.00 0.00 175.26 175.95 1ws1 n GLY 124 N -0.42 2.98 0.33 -3.83 0.00 -1.08 -2.97 105.19 100.19 1ws1 n GLY 124 Ca -0.02 -0.24 -0.05 0.00 0.00 0.00 0.00 46.02 45.71 1ws1 n GLY 124 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1ws1 h PHE 125 N 0.00 1.07 -0.49 1.61 3.57 -1.98 -1.85 116.94 118.88 1ws1 h PHE 125 Ca 0.00 -0.09 -0.04 0.00 3.53 0.00 0.00 57.97 61.37 1ws1 h PHE 125 Cb 0.00 -0.32 -0.02 0.00 2.79 0.00 0.00 35.95 38.40 1ws1 h PHE 125 CO 0.00 0.84 0.13 1.25 -2.23 0.00 0.00 178.31 178.30 1ws1 h LEU 126 N 1.02 0.67 -0.62 0.59 5.85 -1.95 -0.85 115.31 120.02 1ws1 h LEU 126 Ca 0.23 -0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1ws1 h LEU 126 Cb 0.25 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1ws1 h LEU 126 CO -0.01 0.66 -0.47 0.00 -0.34 0.00 0.00 178.44 178.28 1ws1 h ALA 127 N 1.44 0.80 -0.11 1.25 0.00 -1.32 -1.70 119.26 119.61 1ws1 h ALA 127 Ca 0.16 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1ws1 h ALA 127 Cb 0.25 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 1ws1 h ALA 127 CO -0.00 0.66 0.02 -0.09 0.00 0.00 0.00 179.25 179.84 1ws1 h ARG 128 N 0.43 0.18 -0.50 0.00 2.43 -0.62 -1.74 114.38 114.55 1ws1 h ARG 128 Ca 0.03 -0.05 0.05 0.00 -0.81 0.00 0.00 59.98 59.20 1ws1 h ARG 128 Cb 0.98 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.46 1ws1 h ARG 128 CO 0.09 0.38 0.23 0.00 -1.51 0.00 0.00 179.97 179.15 1ws1 h ALA 129 N 0.80 0.63 -0.72 2.80 0.00 -1.01 -1.10 119.26 120.67 1ws1 h ALA 129 Ca 0.03 0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.96 1ws1 h ALA 129 Cb 0.28 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 1ws1 h ALA 129 CO 0.00 -0.13 0.36 0.82 0.00 0.00 0.00 179.25 180.30 1ws1 h ILE 130 N 0.45 1.23 -0.60 0.00 2.04 -1.24 -1.23 117.51 118.16 1ws1 h ILE 130 Ca 0.23 -0.63 -0.09 0.00 1.00 0.00 0.00 64.86 65.37 1ws1 h ILE 130 Cb 0.17 0.33 -0.02 0.00 -0.74 0.00 0.00 36.82 36.56 1ws1 h ILE 130 CO -0.18 0.27 0.02 1.56 0.00 0.00 0.00 178.15 179.82 1ws1 h GLN 131 N 1.00 1.05 -0.36 2.37 4.20 -0.93 0.46 115.11 122.89 1ws1 h GLN 131 Ca 0.25 -0.32 0.03 0.00 0.06 0.00 0.00 58.65 58.66 1ws1 h GLN 131 Cb 0.09 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 27.74 1ws1 h GLN 131 CO -0.03 1.02 0.18 1.25 -0.67 0.00 0.00 178.83 180.57 1ws1 h HIS 132 N 0.95 0.33 -0.29 2.96 2.76 -0.67 0.71 115.15 121.89 1ws1 h HIS 132 Ca 0.17 0.01 -0.05 0.00 -2.20 0.00 0.00 60.37 58.31 1ws1 h HIS 132 Cb 0.53 -0.09 -0.01 0.00 1.55 0.00 0.00 27.41 29.38 1ws1 h HIS 132 CO 0.04 0.17 -0.01 0.93 -1.30 0.00 0.00 177.93 177.77 1ws1 h GLU 133 N 0.37 0.51 -0.70 5.26 4.39 -0.95 -2.82 114.58 120.64 1ws1 h GLU 133 Ca 0.15 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 59.72 1ws1 h GLU 133 Cb 0.07 -0.05 -0.05 0.00 -0.10 0.00 0.00 28.75 28.63 1ws1 h GLU 133 CO -0.11 0.67 0.43 0.82 -1.16 0.00 0.00 179.01 179.66 1ws1 h ILE 134 N 0.30 1.07 -0.49 3.13 2.04 -0.74 -1.07 117.51 121.75 1ws1 h ILE 134 Ca 0.08 -0.29 0.10 0.00 1.00 0.00 0.00 64.86 65.75 1ws1 h ILE 134 Cb 0.44 0.17 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1ws1 h ILE 134 CO 0.02 0.15 -0.08 0.44 0.00 0.00 0.00 178.15 178.68 1ws1 h ASP 135 N 0.83 -0.37 -1.00 1.72 5.19 -0.73 -0.09 116.42 121.98 1ws1 h ASP 135 Ca 0.29 0.14 0.15 0.00 -0.62 0.00 0.00 57.03 56.98 1ws1 h ASP 135 Cb 0.05 0.27 -0.09 0.00 0.18 0.00 0.00 39.33 39.74 1ws1 h ASP 135 CO -0.12 -0.13 0.62 0.45 -3.12 0.00 0.00 179.24 176.93 1ws1 h HIS 136 N 0.04 1.10 0.00 4.55 3.86 -0.96 0.19 115.15 123.92 1ws1 h HIS 136 Ca 0.24 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 1ws1 h HIS 136 Cb 0.37 -0.34 0.00 0.00 1.06 0.00 0.00 27.41 28.50 1ws1 h HIS 136 CO -0.38 0.36 0.00 -0.07 0.86 0.00 0.00 177.93 178.70 1ws1 h LEU 137 N 0.89 0.00 -3.19 2.43 3.38 -0.45 -2.09 115.31 116.28 1ws1 h LEU 137 Ca 0.53 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.50 1ws1 h LEU 137 Cb 0.66 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.41 1ws1 h LEU 137 CO -0.32 0.00 0.00 1.41 0.09 0.00 0.00 178.44 179.62 1ws1 n HIS 138 N -2.89 1.02 -1.67 1.13 8.25 0.51 -0.63 115.22 120.93 1ws1 n HIS 138 Ca -0.00 -0.74 -0.07 0.00 -0.26 0.00 0.00 57.72 56.64 1ws1 n HIS 138 Cb 0.20 -0.26 -0.02 0.00 1.12 0.00 0.00 29.99 31.03 1ws1 n HIS 138 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1ws1 n GLY 139 N 0.05 0.52 3.45 -1.41 0.00 -0.78 -4.21 105.19 102.81 1ws1 n GLY 139 Ca 0.20 -0.64 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1ws1 n GLY 139 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ws1 s VAL 140 N -2.32 3.85 0.14 1.61 1.01 -0.38 -4.44 120.40 119.86 1ws1 s VAL 140 Ca 0.00 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 61.66 1ws1 s VAL 140 Cb 0.00 -2.72 -0.04 0.00 0.00 0.00 0.00 36.38 33.63 1ws1 s VAL 140 CO 0.00 0.45 0.19 -0.76 0.00 0.00 0.00 175.10 174.99 1ws1 s LEU 141 N 0.79 4.06 0.51 3.92 1.43 -1.26 -2.89 118.68 125.24 1ws1 s LEU 141 Ca -0.01 0.03 0.34 0.00 -1.03 0.00 0.00 54.13 53.47 1ws1 s LEU 141 Cb -0.14 -2.66 1.63 0.00 0.03 0.00 0.00 46.19 45.05 1ws1 s LEU 141 CO 0.02 0.08 2.02 2.19 0.23 0.00 0.00 176.35 180.89 1ws1 h PHE 142 N 2.44 0.00 -0.60 0.29 -5.15 -1.97 -2.38 116.94 109.57 1ws1 h PHE 142 Ca -0.48 0.00 0.08 0.00 -0.20 0.00 0.00 57.97 57.37 1ws1 h PHE 142 Cb 1.19 0.00 -0.04 0.00 0.22 0.00 0.00 35.95 37.32 1ws1 h PHE 142 CO 0.57 0.00 0.40 0.00 -2.00 0.00 0.00 178.31 177.28 1ws1 h THR 143 N 0.00 0.95 0.00 0.88 1.03 -1.98 0.77 112.91 114.57 1ws1 h THR 143 Ca 0.00 -0.17 0.00 0.00 -0.01 0.00 0.00 66.41 66.23 1ws1 h THR 143 Cb 0.24 0.40 0.00 0.00 -1.07 0.00 0.00 68.15 67.72 1ws1 h THR 143 CO 0.00 0.09 0.00 -1.20 -0.01 0.00 0.00 175.52 174.40 1ws1 n SER 144 N -4.48 0.30 0.00 0.00 7.64 -0.89 -3.25 113.62 112.94 1ws1 n SER 144 Ca 0.09 0.56 0.00 0.00 1.01 0.00 0.00 58.87 60.53 1ws1 n SER 144 Cb 0.30 -0.63 0.00 0.00 -1.01 0.00 0.00 64.21 62.87 1ws1 n SER 144 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ws1 n LYS 145 N -1.81 1.50 -2.19 1.43 5.02 0.20 -5.03 118.16 117.27 1ws1 n LYS 145 Ca 0.04 -1.09 -0.42 0.00 -2.02 0.00 0.00 58.31 54.82 1ws1 n LYS 145 Cb 0.26 -0.96 -0.03 0.00 -0.02 0.00 0.00 35.03 34.28 1ws1 n LYS 145 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1ws1 s VAL 146 N -0.61 3.43 -0.02 -0.18 1.01 -0.81 -4.43 120.40 118.79 1ws1 s VAL 146 Ca 0.00 1.00 -0.22 0.00 0.00 0.00 0.00 61.98 62.76 1ws1 s VAL 146 Cb 0.00 -3.64 -0.25 0.00 0.00 0.00 0.00 36.38 32.49 1ws1 s VAL 146 CO 0.00 0.06 1.03 0.00 0.00 0.00 0.00 175.10 176.20 1ws1 h THR 147 N 4.39 1.49 -2.12 3.92 1.03 0.26 -3.48 112.91 118.40 1ws1 h THR 147 Ca -0.41 -2.13 -0.06 0.00 -0.01 0.00 0.00 66.41 63.79 1ws1 h THR 147 Cb 1.20 2.77 -0.19 0.00 -1.07 0.00 0.00 68.15 70.87 1ws1 h THR 147 CO 0.87 0.61 0.16 0.00 -0.01 0.00 0.00 175.52 177.15 1ws1 s ARG 148 N -3.02 1.05 0.25 0.00 1.70 -1.25 -4.99 118.95 112.68 1ws1 s ARG 148 Ca -0.14 0.19 -0.08 0.00 -0.47 0.00 0.00 55.73 55.23 1ws1 s ARG 148 Cb 0.02 0.49 -0.06 0.00 -0.57 0.00 0.00 34.95 34.83 1ws1 s ARG 148 CO 0.80 -0.33 0.55 0.71 -1.08 0.00 0.00 175.30 175.94 1ws1 s TYR 149 N -1.35 3.44 0.53 5.89 1.51 -1.26 -0.88 117.35 125.24 1ws1 s TYR 149 Ca -0.10 0.80 -0.14 0.00 -1.01 0.00 0.00 57.07 56.61 1ws1 s TYR 149 Cb -0.00 -2.21 -0.07 0.00 -0.11 0.00 0.00 41.96 39.57 1ws1 s TYR 149 CO 0.08 0.24 0.97 0.71 -1.11 0.00 0.00 175.55 176.44 1ws1 s TYR 150 N -1.91 3.51 -2.01 2.71 1.51 -0.91 -4.91 117.35 115.34 1ws1 s TYR 150 Ca 0.46 1.35 0.32 0.00 -1.01 0.00 0.00 57.07 58.19 1ws1 s TYR 150 Cb -0.11 -2.72 1.90 0.00 -0.11 0.00 0.00 41.96 40.92 1ws1 s TYR 150 CO 0.24 -0.42 2.22 -0.85 -1.11 0.00 0.00 175.55 175.63