#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws8 n ALA 2 N 0.00 -2.65 -3.46 -5.12 0.00 -1.26 -5.04 120.51 102.98 1ws8 n ALA 2 Ca 0.00 -1.01 -0.18 0.00 0.00 0.00 0.00 53.44 52.25 1ws8 n ALA 2 Cb 0.00 -1.94 -0.16 0.00 0.00 0.00 0.00 19.45 17.35 1ws8 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ws8 s THR 3 N -2.43 0.40 -0.27 0.00 2.01 -1.26 -5.04 115.64 109.05 1ws8 s THR 3 Ca 0.65 -0.08 -0.15 0.00 0.31 0.00 0.00 61.69 62.42 1ws8 s THR 3 Cb -0.22 -0.43 -0.04 0.00 0.01 0.00 0.00 72.50 71.82 1ws8 s THR 3 CO 0.64 0.18 0.36 -0.69 -0.69 0.00 0.00 174.62 174.41 1ws8 s VAL 4 N 0.70 5.19 -0.34 3.82 1.01 -1.26 -2.26 120.40 127.26 1ws8 s VAL 4 Ca -0.08 0.54 -0.13 0.00 0.00 0.00 0.00 61.98 62.32 1ws8 s VAL 4 Cb -0.12 -3.68 -0.01 0.00 0.00 0.00 0.00 36.38 32.57 1ws8 s VAL 4 CO -0.00 0.17 0.23 -1.00 0.00 0.00 0.00 175.10 174.50 1ws8 s HIS 5 N 1.99 3.22 -0.51 5.22 0.09 -0.01 -4.96 115.29 120.32 1ws8 s HIS 5 Ca 0.15 -0.29 -0.26 0.00 -0.00 0.00 0.00 55.06 54.66 1ws8 s HIS 5 Cb -0.16 -2.47 0.03 0.00 -0.00 0.00 0.00 32.58 29.99 1ws8 s HIS 5 CO 0.10 -0.39 1.00 0.21 -0.00 0.00 0.00 174.74 175.65 1ws8 s LYS 6 N 1.70 3.48 -0.04 1.40 2.20 -1.26 -0.62 119.74 126.61 1ws8 s LYS 6 Ca 0.06 0.08 -0.32 0.00 -0.36 0.00 0.00 55.97 55.43 1ws8 s LYS 6 Cb -0.17 -3.98 -0.10 0.00 -1.51 0.00 0.00 37.83 32.07 1ws8 s LYS 6 CO 0.10 -1.40 1.97 0.28 -0.36 0.00 0.00 175.35 175.94 1ws8 n VAL 7 N 6.43 0.66 -1.01 4.02 0.31 -0.48 -0.71 118.33 127.56 1ws8 n VAL 7 Ca 0.06 -0.16 -0.00 0.00 -0.01 0.00 0.00 64.34 64.23 1ws8 n VAL 7 Cb 0.48 -2.16 -0.00 0.00 -0.91 0.00 0.00 33.84 31.25 1ws8 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws8 n GLY 8 N 4.65 0.47 7.00 2.92 0.00 -1.26 -3.77 105.19 115.20 1ws8 n GLY 8 Ca 0.22 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.04 1ws8 n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ws8 n ASP 9 N 0.29 0.00 0.25 1.61 8.00 0.12 -1.30 116.55 125.51 1ws8 n ASP 9 Ca -0.00 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.62 1ws8 n ASP 9 Cb 0.04 0.00 0.62 0.00 -0.02 0.00 0.00 41.12 41.76 1ws8 n ASP 9 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ws8 h SER 10 N 0.07 0.00 0.48 -2.24 4.64 -1.89 -2.80 113.55 111.81 1ws8 h SER 10 Ca 0.00 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.19 1ws8 h SER 10 Cb 0.00 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.07 1ws8 h SER 10 CO 0.00 0.16 -0.58 0.74 -0.87 0.00 0.00 176.83 176.27 1ws8 h THR 11 N 0.00 1.40 -0.25 2.95 2.02 -1.53 -3.49 112.91 114.01 1ws8 h THR 11 Ca -0.00 -1.97 0.00 0.00 0.77 0.00 0.00 66.41 65.21 1ws8 h THR 11 Cb 0.52 2.03 0.00 0.00 -1.74 0.00 0.00 68.15 68.95 1ws8 h THR 11 CO 0.02 0.57 0.00 0.61 0.37 0.00 0.00 175.52 177.09 1ws8 n GLY 12 N 0.18 -0.70 3.33 2.16 0.00 -1.05 -4.62 105.19 104.50 1ws8 n GLY 12 Ca -0.02 -1.15 -0.44 0.00 0.00 0.00 0.00 46.02 44.42 1ws8 n GLY 12 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ws8 s TRP 13 N 0.00 3.28 0.30 1.61 -0.00 -0.52 -4.39 118.94 119.21 1ws8 s TRP 13 Ca 0.00 -1.22 -0.13 0.00 -0.00 0.00 0.00 56.10 54.75 1ws8 s TRP 13 Cb 0.00 -3.32 0.01 0.00 -0.00 0.00 0.00 33.47 30.16 1ws8 s TRP 13 CO 0.00 -0.88 0.59 -0.08 -0.00 0.00 0.00 176.95 176.58 1ws8 s THR 14 N 1.57 0.00 0.00 5.86 -1.32 -1.26 -4.59 115.64 115.90 1ws8 s THR 14 Ca 0.04 -1.28 0.00 0.00 -1.21 0.00 0.00 61.69 59.24 1ws8 s THR 14 Cb -0.26 -2.36 0.00 0.00 -1.51 0.00 0.00 72.50 68.38 1ws8 s THR 14 CO 0.04 0.00 0.36 0.35 -2.21 0.00 0.00 174.62 173.16 1ws8 n THR 15 N -0.46 0.08 -0.34 5.08 -2.24 -1.26 -4.80 114.28 110.35 1ws8 n THR 15 Ca -0.03 -0.33 0.05 0.00 -2.27 0.00 0.00 64.05 61.47 1ws8 n THR 15 Cb 0.61 1.33 0.23 0.00 -2.10 0.00 0.00 70.33 70.40 1ws8 n THR 15 CO 0.00 0.00 0.00 0.25 -0.57 0.00 0.00 175.07 174.75 1ws8 h LEU 16 N 0.00 0.93 -8.42 3.22 5.85 -2.00 -3.42 115.31 111.47 1ws8 h LEU 16 Ca 0.00 0.02 -0.32 0.00 0.84 0.00 0.00 57.88 58.42 1ws8 h LEU 16 Cb 0.28 -0.18 -0.18 0.00 0.37 0.00 0.00 40.66 40.95 1ws8 h LEU 16 CO 0.00 0.57 -0.74 0.68 -0.34 0.00 0.00 178.44 178.61 1ws8 s VAL 17 N -5.94 0.92 0.18 1.05 -7.23 -1.26 -5.11 120.40 103.01 1ws8 s VAL 17 Ca -0.12 -1.56 -0.31 0.00 -1.81 0.00 0.00 61.98 58.18 1ws8 s VAL 17 Cb 0.21 -1.27 -0.09 0.00 0.56 0.00 0.00 36.38 35.79 1ws8 s VAL 17 CO 0.81 -0.51 1.46 -2.84 -0.31 0.00 0.00 175.10 173.70 1ws8 s PRO 18 N -2.59 4.27 -0.03 4.82 0.02 -1.26 -4.99 135.00 135.25 1ws8 s PRO 18 Ca 0.03 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.30 1ws8 s PRO 18 Cb -0.04 -3.17 0.03 0.00 0.02 0.00 0.00 34.50 31.34 1ws8 s PRO 18 CO 0.00 -0.48 0.01 -0.47 -0.33 0.00 0.00 177.00 175.73 1ws8 s TYR 19 N 0.70 0.26 -0.99 6.54 5.04 -1.26 -5.09 117.35 122.55 1ws8 s TYR 19 Ca 0.64 0.02 -0.22 0.00 -2.44 0.00 0.00 57.07 55.08 1ws8 s TYR 19 Cb -0.41 -0.39 0.08 0.00 0.35 0.00 0.00 41.96 41.59 1ws8 s TYR 19 CO 0.35 -0.13 1.35 0.34 -1.34 0.00 0.00 175.55 176.13 1ws8 s ASP 20 N 1.07 6.54 0.42 4.32 -1.08 -1.26 -4.82 116.67 121.86 1ws8 s ASP 20 Ca -0.09 -1.64 0.19 0.00 -0.52 0.00 0.00 52.55 50.49 1ws8 s ASP 20 Cb -0.13 -2.52 0.92 0.00 -1.46 0.00 0.00 42.92 39.73 1ws8 s ASP 20 CO -0.02 -1.37 1.87 1.88 0.52 0.00 0.00 175.17 178.05 1ws8 h TYR 21 N 9.48 0.00 -0.40 -5.34 -1.99 -1.86 -2.50 116.97 114.36 1ws8 h TYR 21 Ca 0.19 0.00 -0.05 0.00 2.00 0.00 0.00 58.73 60.87 1ws8 h TYR 21 Cb 1.01 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.73 1ws8 h TYR 21 CO 1.25 0.30 0.07 0.00 -0.00 0.00 0.00 178.16 179.77 1ws8 h ALA 22 N 1.70 0.54 -0.66 3.88 0.00 -1.88 -0.85 119.26 122.00 1ws8 h ALA 22 Ca -0.00 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.63 1ws8 h ALA 22 Cb 0.64 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.25 1ws8 h ALA 22 CO 0.04 0.24 0.14 0.87 0.00 0.00 0.00 179.25 180.54 1ws8 h LYS 23 N 0.52 1.07 -0.24 0.00 1.57 -1.92 -1.01 116.57 116.56 1ws8 h LYS 23 Ca 0.12 -0.26 0.01 0.00 -1.87 0.00 0.00 60.65 58.65 1ws8 h LYS 23 Cb 0.36 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 1ws8 h LYS 23 CO 0.01 0.96 0.14 2.35 -0.57 0.00 0.00 179.45 182.33 1ws8 h TRP 24 N 1.01 0.26 -0.81 -1.35 7.01 -1.12 -0.53 115.95 120.42 1ws8 h TRP 24 Ca 0.21 0.01 -0.02 0.00 2.11 0.00 0.00 58.89 61.19 1ws8 h TRP 24 Cb 0.39 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.33 1ws8 h TRP 24 CO 0.03 0.15 0.41 0.00 -2.79 0.00 0.00 178.44 176.24 1ws8 h ALA 25 N 1.11 1.04 0.00 2.65 0.00 -0.88 -2.58 119.26 120.59 1ws8 h ALA 25 Ca 0.09 -0.14 -0.05 0.00 0.00 0.00 0.00 54.91 54.81 1ws8 h ALA 25 Cb -0.00 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 1ws8 h ALA 25 CO -0.05 0.58 -0.23 0.77 0.00 0.00 0.00 179.25 180.32 1ws8 h SER 26 N 1.13 0.00 -0.23 0.00 0.02 -0.78 -2.62 113.55 111.07 1ws8 h SER 26 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1ws8 h SER 26 Cb 0.08 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.62 1ws8 h SER 26 CO -0.04 0.23 0.00 -1.54 -1.14 0.00 0.00 176.83 174.34 1ws8 n SER 27 N -3.51 1.72 -4.28 3.07 3.41 -0.24 -4.87 113.62 108.91 1ws8 n SER 27 Ca -0.01 -1.81 -0.19 0.00 -0.26 0.00 0.00 58.87 56.61 1ws8 n SER 27 Cb 0.39 -0.15 -0.11 0.00 -0.26 0.00 0.00 64.21 64.08 1ws8 n SER 27 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ws8 s ASN 28 N -1.37 2.26 -0.17 4.04 0.01 -0.99 -5.07 114.94 113.66 1ws8 s ASN 28 Ca 0.29 -0.87 0.00 0.00 -0.71 0.00 0.00 52.86 51.57 1ws8 s ASN 28 Cb 0.16 -0.10 0.00 0.00 0.41 0.00 0.00 41.25 41.72 1ws8 s ASN 28 CO 0.23 -0.13 -0.16 -0.54 -1.51 0.00 0.00 177.10 174.98 1ws8 s LYS 29 N -2.94 3.15 -0.15 -0.60 1.02 -1.26 -4.94 119.74 114.01 1ws8 s LYS 29 Ca 0.13 -0.77 -0.03 0.00 0.02 0.00 0.00 55.97 55.32 1ws8 s LYS 29 Cb -0.04 -2.63 -0.02 0.00 -0.52 0.00 0.00 37.83 34.62 1ws8 s LYS 29 CO 0.04 -0.07 -0.05 -0.06 -0.92 0.00 0.00 175.35 174.29 1ws8 s PHE 30 N 1.01 2.98 0.15 3.18 0.40 -1.26 -5.05 117.98 119.40 1ws8 s PHE 30 Ca -0.02 -0.39 0.08 0.00 -0.60 0.00 0.00 56.93 56.01 1ws8 s PHE 30 Cb -0.15 -1.95 -0.04 0.00 0.51 0.00 0.00 43.02 41.40 1ws8 s PHE 30 CO -0.04 -0.09 -0.18 -1.01 0.70 0.00 0.00 175.22 174.60 1ws8 s HIS 31 N 0.42 1.74 0.27 0.36 3.76 -1.26 0.85 115.29 121.43 1ws8 s HIS 31 Ca -0.05 -0.48 -0.30 0.00 -0.15 0.00 0.00 55.06 54.08 1ws8 s HIS 31 Cb -0.15 -0.88 -0.14 0.00 1.11 0.00 0.00 32.58 32.53 1ws8 s HIS 31 CO 0.03 0.28 1.25 0.28 -0.85 0.00 0.00 174.74 175.73 1ws8 n VAL 32 N 0.41 1.49 0.00 -0.90 0.31 -1.26 -1.31 118.33 117.07 1ws8 n VAL 32 Ca -0.14 -0.37 0.00 0.00 -0.01 0.00 0.00 64.34 63.82 1ws8 n VAL 32 Cb 0.57 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.19 1ws8 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws8 n GLY 33 N 1.53 2.73 3.91 2.92 0.00 0.12 -4.99 105.19 111.40 1ws8 n GLY 33 Ca 0.10 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.83 1ws8 n GLY 33 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ws8 s ASP 34 N -1.34 4.20 0.04 1.61 1.01 -0.42 -4.55 116.67 117.21 1ws8 s ASP 34 Ca 0.00 0.60 -0.03 0.00 0.71 0.00 0.00 52.55 53.83 1ws8 s ASP 34 Cb 0.00 -1.00 -0.02 0.00 1.01 0.00 0.00 42.92 42.91 1ws8 s ASP 34 CO 0.00 -2.07 0.04 -0.94 0.21 0.00 0.00 175.17 172.40 1ws8 s SER 35 N -4.65 0.27 -0.00 0.27 1.04 -0.96 -0.19 113.70 109.48 1ws8 s SER 35 Ca 0.65 -0.65 0.01 0.00 0.48 0.00 0.00 55.95 56.44 1ws8 s SER 35 Cb -0.09 0.19 -0.04 0.00 0.10 0.00 0.00 66.02 66.18 1ws8 s SER 35 CO 0.49 -0.49 0.02 -0.76 0.98 0.00 0.00 173.24 173.49 1ws8 s LEU 36 N -2.19 3.61 -0.19 2.42 1.43 0.64 -0.83 118.68 123.57 1ws8 s LEU 36 Ca -0.04 0.03 0.01 0.00 -1.03 0.00 0.00 54.13 53.09 1ws8 s LEU 36 Cb -0.01 -2.08 0.04 0.00 0.03 0.00 0.00 46.19 44.17 1ws8 s LEU 36 CO -0.05 0.28 -0.11 -0.22 0.23 0.00 0.00 176.35 176.48 1ws8 s LEU 37 N -1.61 2.17 -0.32 1.79 2.96 0.21 -0.15 118.68 123.73 1ws8 s LEU 37 Ca 0.20 -0.82 -0.10 0.00 -0.22 0.00 0.00 54.13 53.19 1ws8 s LEU 37 Cb -0.12 -1.22 -0.00 0.00 0.50 0.00 0.00 46.19 45.35 1ws8 s LEU 37 CO 0.11 -0.13 0.17 -0.36 -1.32 0.00 0.00 176.35 174.82 1ws8 s PHE 38 N 1.41 3.19 -0.18 5.38 0.40 -0.26 -1.38 117.98 126.54 1ws8 s PHE 38 Ca -0.00 -0.56 -0.05 0.00 -0.60 0.00 0.00 56.93 55.72 1ws8 s PHE 38 Cb -0.16 -2.39 -0.03 0.00 0.51 0.00 0.00 43.02 40.96 1ws8 s PHE 38 CO -0.09 -0.47 -0.01 -0.80 0.70 0.00 0.00 175.22 174.56 1ws8 s ASN 39 N 1.62 4.90 0.14 1.36 0.02 -1.26 -1.60 114.94 120.12 1ws8 s ASN 39 Ca 0.04 -0.15 -0.25 0.00 -1.02 0.00 0.00 52.86 51.48 1ws8 s ASN 39 Cb -0.17 -1.82 0.07 0.00 0.02 0.00 0.00 41.25 39.34 1ws8 s ASN 39 CO 0.07 0.11 0.93 -0.72 0.02 0.00 0.00 177.10 177.51 1ws8 s TYR 40 N 0.73 -0.17 -0.56 2.20 -0.85 -0.40 -1.44 117.35 116.87 1ws8 s TYR 40 Ca -0.00 -0.12 -0.28 0.00 -0.52 0.00 0.00 57.07 56.14 1ws8 s TYR 40 Cb -0.14 0.63 0.03 0.00 0.38 0.00 0.00 41.96 42.86 1ws8 s TYR 40 CO 0.02 -0.81 1.17 1.21 -1.52 0.00 0.00 175.55 175.62 1ws8 s ASN 41 N -2.88 6.47 0.00 -0.18 3.84 -1.26 -4.52 114.94 116.41 1ws8 s ASN 41 Ca 0.11 0.14 0.20 0.00 0.21 0.00 0.00 52.86 53.52 1ws8 s ASN 41 Cb -0.02 -2.55 1.17 0.00 -0.55 0.00 0.00 41.25 39.31 1ws8 s ASN 41 CO 0.01 -1.43 1.58 -0.46 -2.79 0.00 0.00 177.10 174.01 1ws8 n ASN 42 N 8.29 0.00 0.11 -4.21 2.04 -1.26 -2.10 115.26 118.13 1ws8 n ASN 42 Ca 0.09 -0.58 0.04 0.00 -0.44 0.00 0.00 54.58 53.69 1ws8 n ASN 42 Cb 0.49 -0.02 0.01 0.00 -2.53 0.00 0.00 39.78 37.72 1ws8 n ASN 42 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1ws8 h LYS 43 N 0.00 0.00 -0.01 -3.83 3.64 -1.93 -3.37 116.57 111.07 1ws8 h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ws8 h LYS 43 Cb 0.01 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.83 1ws8 h LYS 43 CO 0.00 0.29 -0.09 1.19 -2.27 0.00 0.00 179.45 178.57 1ws8 n PHE 44 N -3.02 0.00 -3.98 1.91 0.99 -0.89 -5.05 117.46 107.42 1ws8 n PHE 44 Ca -0.02 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.34 1ws8 n PHE 44 Cb 0.71 0.00 -0.06 0.00 -1.00 0.00 0.00 39.48 39.13 1ws8 n PHE 44 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1ws8 s HIS 45 N -0.96 0.42 0.33 1.38 3.76 -1.01 -4.91 115.29 114.30 1ws8 s HIS 45 Ca 0.08 -0.77 -0.08 0.00 -0.15 0.00 0.00 55.06 54.14 1ws8 s HIS 45 Cb 0.07 0.02 0.02 0.00 1.11 0.00 0.00 32.58 33.79 1ws8 s HIS 45 CO 0.16 -0.83 0.56 0.54 -0.85 0.00 0.00 174.74 174.32 1ws8 s ASN 46 N -3.00 0.45 -0.10 1.40 6.03 -1.26 -4.54 114.94 113.92 1ws8 s ASN 46 Ca 0.21 -1.27 0.00 0.00 -1.03 0.00 0.00 52.86 50.77 1ws8 s ASN 46 Cb 0.02 0.70 0.02 0.00 -3.03 0.00 0.00 41.25 38.96 1ws8 s ASN 46 CO 0.04 -1.37 -0.09 -0.69 -2.03 0.00 0.00 177.10 172.96 1ws8 s VAL 47 N -3.07 1.11 -0.07 3.54 1.01 -0.56 -4.24 120.40 118.11 1ws8 s VAL 47 Ca 0.25 -0.37 0.05 0.00 0.00 0.00 0.00 61.98 61.90 1ws8 s VAL 47 Cb -0.02 -1.08 -0.01 0.00 0.00 0.00 0.00 36.38 35.27 1ws8 s VAL 47 CO 0.15 0.37 -0.23 -0.76 0.00 0.00 0.00 175.10 174.63 1ws8 s LEU 48 N 1.40 2.15 -0.15 3.92 1.43 0.24 -0.29 118.68 127.38 1ws8 s LEU 48 Ca -0.00 -0.49 -0.16 0.00 -1.03 0.00 0.00 54.13 52.44 1ws8 s LEU 48 Cb -0.13 -1.41 -0.04 0.00 0.03 0.00 0.00 46.19 44.64 1ws8 s LEU 48 CO -0.05 0.23 0.40 -1.58 0.23 0.00 0.00 176.35 175.57 1ws8 s GLN 49 N -0.04 4.28 0.38 1.70 0.74 -0.34 -1.62 119.66 124.75 1ws8 s GLN 49 Ca -0.07 0.28 0.06 0.00 0.05 0.00 0.00 55.36 55.68 1ws8 s GLN 49 Cb -0.15 -3.45 -0.02 0.00 1.10 0.00 0.00 33.01 30.48 1ws8 s GLN 49 CO 0.05 0.14 0.23 0.14 -0.55 0.00 0.00 175.29 175.30 1ws8 s VAL 50 N 0.73 0.19 0.59 1.34 -7.23 -0.45 -0.70 120.40 114.87 1ws8 s VAL 50 Ca 0.21 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.41 1ws8 s VAL 50 Cb -0.14 -2.41 0.06 0.00 0.56 0.00 0.00 36.38 34.45 1ws8 s VAL 50 CO 0.07 0.00 0.81 1.51 -0.31 0.00 0.00 175.10 177.19 1ws8 s ASP 51 N -3.49 5.04 0.25 4.85 1.47 -1.26 -3.96 116.67 119.58 1ws8 s ASP 51 Ca 0.33 -0.25 -0.03 0.00 1.18 0.00 0.00 52.55 53.78 1ws8 s ASP 51 Cb 0.02 -0.48 0.43 0.00 -0.34 0.00 0.00 42.92 42.55 1ws8 s ASP 51 CO 0.23 -1.32 1.82 -0.61 0.68 0.00 0.00 175.17 175.97 1ws8 h GLN 52 N -0.02 0.82 0.03 2.11 4.15 -1.96 0.03 115.11 120.27 1ws8 h GLN 52 Ca -0.39 -0.05 -0.00 0.00 0.77 0.00 0.00 58.65 58.98 1ws8 h GLN 52 Cb 1.29 -0.18 0.00 0.00 0.21 0.00 0.00 27.48 28.79 1ws8 h GLN 52 CO 0.47 0.54 -0.02 1.49 -1.93 0.00 0.00 178.83 179.38 1ws8 h GLU 53 N 0.84 -0.04 -0.18 1.69 4.81 -2.00 -1.83 114.58 117.86 1ws8 h GLU 53 Ca 0.42 0.00 -0.08 0.00 -0.13 0.00 0.00 59.36 59.58 1ws8 h GLU 53 Cb 0.39 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1ws8 h GLU 53 CO -0.25 0.05 -0.23 1.96 -0.73 0.00 0.00 179.01 179.81 1ws8 h GLN 54 N -0.13 0.33 -0.07 1.92 4.20 -1.78 -2.76 115.11 116.82 1ws8 h GLN 54 Ca -0.00 -0.11 -0.00 0.00 0.06 0.00 0.00 58.65 58.59 1ws8 h GLN 54 Cb 0.11 -0.03 -0.00 0.00 0.30 0.00 0.00 27.48 27.86 1ws8 h GLN 54 CO 0.01 0.55 0.03 0.35 -0.67 0.00 0.00 178.83 179.09 1ws8 h PHE 55 N 0.30 0.11 -0.55 2.96 3.57 -0.77 0.17 116.94 122.73 1ws8 h PHE 55 Ca 0.05 -0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 1ws8 h PHE 55 Cb 0.57 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.25 1ws8 h PHE 55 CO 0.01 0.23 0.16 0.87 -2.23 0.00 0.00 178.31 177.35 1ws8 h LYS 56 N -0.04 0.83 -0.37 1.11 1.57 -1.22 -2.78 116.57 115.67 1ws8 h LYS 56 Ca 0.02 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1ws8 h LYS 56 Cb 0.17 -0.13 0.00 0.00 0.08 0.00 0.00 32.23 32.34 1ws8 h LYS 56 CO -0.00 0.73 0.00 -1.13 -0.57 0.00 0.00 179.45 178.48 1ws8 n SER 57 N -4.29 3.01 -3.84 0.86 3.41 -1.05 -4.95 113.62 106.77 1ws8 n SER 57 Ca 0.04 -1.93 -0.28 0.00 -0.26 0.00 0.00 58.87 56.44 1ws8 n SER 57 Cb 0.21 -0.24 0.04 0.00 -0.26 0.00 0.00 64.21 63.96 1ws8 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ws8 s ASN 59 N -3.41 6.50 -0.17 0.00 3.84 0.36 -4.94 114.94 117.12 1ws8 s ASN 59 Ca 0.59 0.60 0.16 0.00 0.21 0.00 0.00 52.86 54.42 1ws8 s ASN 59 Cb -0.29 -2.29 0.38 0.00 -0.55 0.00 0.00 41.25 38.49 1ws8 s ASN 59 CO 0.81 -0.26 1.24 -1.54 -2.79 0.00 0.00 177.10 174.56 1ws8 n SER 60 N 5.29 2.46 0.04 -4.21 3.41 -1.26 -4.69 113.62 114.67 1ws8 n SER 60 Ca -0.04 -3.32 -0.14 0.00 -0.26 0.00 0.00 58.87 55.11 1ws8 n SER 60 Cb 0.50 -0.49 -0.04 0.00 -0.26 0.00 0.00 64.21 63.92 1ws8 n SER 60 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1ws8 h SER 61 N 0.59 0.65 -2.29 4.04 4.64 -1.98 -3.39 113.55 115.81 1ws8 h SER 61 Ca 0.02 -0.47 -0.59 0.00 -0.47 0.00 0.00 61.79 60.28 1ws8 h SER 61 Cb 1.13 -0.19 -0.40 0.00 -0.31 0.00 0.00 62.40 62.62 1ws8 h SER 61 CO 0.07 1.25 -0.85 -0.24 -0.87 0.00 0.00 176.83 176.19 1ws8 n SER 62 N -3.82 1.51 -4.78 4.97 2.88 -1.26 -5.11 113.62 108.00 1ws8 n SER 62 Ca -0.07 -2.93 -0.34 0.00 -1.33 0.00 0.00 58.87 54.20 1ws8 n SER 62 Cb 0.79 -0.65 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 1ws8 n SER 62 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ws8 s PRO 63 N -1.36 3.34 0.21 -1.46 0.04 -1.26 -4.95 135.00 129.56 1ws8 s PRO 63 Ca 0.34 1.51 0.07 0.00 0.04 0.00 0.00 61.00 62.97 1ws8 s PRO 63 Cb 0.11 -2.01 0.12 0.00 0.04 0.00 0.00 34.50 32.75 1ws8 s PRO 63 CO -0.11 -0.84 1.47 0.00 0.04 0.00 0.00 177.00 177.57 1ws8 h ALA 64 N 1.04 0.71 -2.03 8.56 0.00 -1.29 -3.46 119.26 122.79 1ws8 h ALA 64 Ca -0.49 -0.69 -0.06 0.00 0.00 0.00 0.00 54.91 53.68 1ws8 h ALA 64 Cb 1.25 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.73 1ws8 h ALA 64 CO 0.57 0.92 0.14 0.00 0.00 0.00 0.00 179.25 180.89 1ws8 s ALA 65 N -3.30 -1.73 -0.13 0.00 0.00 -1.22 -4.99 121.76 110.39 1ws8 s ALA 65 Ca -0.01 1.56 0.01 0.00 0.00 0.00 0.00 51.96 53.52 1ws8 s ALA 65 Cb 0.11 -0.46 0.02 0.00 0.00 0.00 0.00 23.12 22.79 1ws8 s ALA 65 CO 0.79 -0.35 -0.16 0.45 0.00 0.00 0.00 175.76 176.49 1ws8 s SER 66 N -0.57 2.68 -0.09 0.00 0.15 -1.26 -1.20 113.70 113.41 1ws8 s SER 66 Ca -0.07 -0.49 0.01 0.00 0.70 0.00 0.00 55.95 56.10 1ws8 s SER 66 Cb -0.02 -1.21 -0.02 0.00 -1.71 0.00 0.00 66.02 63.06 1ws8 s SER 66 CO 0.06 0.01 -0.10 -0.31 1.20 0.00 0.00 173.24 174.10 1ws8 s TYR 67 N 1.12 2.84 0.00 3.44 1.51 0.60 -5.00 117.35 121.86 1ws8 s TYR 67 Ca -0.03 -0.22 0.12 0.00 -1.01 0.00 0.00 57.07 55.93 1ws8 s TYR 67 Cb -0.14 -1.74 0.19 0.00 -0.11 0.00 0.00 41.96 40.16 1ws8 s TYR 67 CO -0.05 0.12 1.04 0.25 -1.11 0.00 0.00 175.55 175.81 1ws8 n THR 68 N 2.69 0.00 0.21 -0.71 -2.24 -1.26 -1.50 114.28 111.47 1ws8 n THR 68 Ca -0.18 -0.44 0.12 0.00 -2.27 0.00 0.00 64.05 61.28 1ws8 n THR 68 Cb 0.53 0.69 0.13 0.00 -2.10 0.00 0.00 70.33 69.58 1ws8 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ws8 h SER 69 N 0.44 0.00 0.00 3.42 4.64 -1.95 -3.47 113.55 116.64 1ws8 h SER 69 Ca -0.14 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.18 1ws8 h SER 69 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1ws8 h SER 69 CO 0.03 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.60 1ws8 n GLY 70 N 1.13 1.49 2.59 -0.77 0.00 -1.26 -4.82 105.19 103.55 1ws8 n GLY 70 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1ws8 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws8 n ALA 71 N -0.82 0.69 -2.36 4.61 0.00 -1.16 -1.27 120.51 120.19 1ws8 n ALA 71 Ca 0.00 -2.06 -0.42 0.00 0.00 0.00 0.00 53.44 50.95 1ws8 n ALA 71 Cb 0.00 -1.05 -0.03 0.00 0.00 0.00 0.00 19.45 18.37 1ws8 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ws8 s ASP 72 N -1.72 6.96 -0.35 0.00 -0.00 -0.63 -4.81 116.67 116.12 1ws8 s ASP 72 Ca 0.27 1.91 -0.11 0.00 -0.00 0.00 0.00 52.55 54.62 1ws8 s ASP 72 Cb 0.34 -2.56 0.01 0.00 -0.00 0.00 0.00 42.92 40.72 1ws8 s ASP 72 CO -0.06 -0.66 0.20 -0.55 -0.00 0.00 0.00 175.17 174.10 1ws8 s SER 73 N 1.72 5.73 -0.28 0.27 0.15 -1.26 -1.11 113.70 118.92 1ws8 s SER 73 Ca 0.59 -0.79 -0.01 0.00 0.70 0.00 0.00 55.95 56.43 1ws8 s SER 73 Cb -0.27 -2.04 0.04 0.00 -1.71 0.00 0.00 66.02 62.05 1ws8 s SER 73 CO 0.23 -0.32 -0.03 -0.63 1.20 0.00 0.00 173.24 173.69 1ws8 s ILE 74 N 1.60 2.90 0.43 6.45 1.01 0.79 -4.93 121.20 129.44 1ws8 s ILE 74 Ca 0.03 -1.29 -0.24 0.00 0.00 0.00 0.00 60.65 59.15 1ws8 s ILE 74 Cb -0.18 -2.61 -0.08 0.00 0.01 0.00 0.00 42.46 39.60 1ws8 s ILE 74 CO 0.07 -0.01 1.15 -2.16 0.00 0.00 0.00 174.94 173.99 1ws8 s PRO 75 N 1.26 3.93 -0.53 2.79 0.04 -1.26 -0.26 135.00 140.97 1ws8 s PRO 75 Ca -0.04 1.76 -0.00 0.00 0.04 0.00 0.00 61.00 62.76 1ws8 s PRO 75 Cb -0.19 -2.53 0.14 0.00 0.04 0.00 0.00 34.50 31.96 1ws8 s PRO 75 CO -0.02 -0.41 0.31 -0.51 0.04 0.00 0.00 177.00 176.41 1ws8 s LEU 76 N -2.77 4.91 -0.21 -3.56 1.43 0.73 -4.91 118.68 114.30 1ws8 s LEU 76 Ca 0.60 -2.70 0.15 0.00 -1.03 0.00 0.00 54.13 51.15 1ws8 s LEU 76 Cb -0.28 -1.76 0.65 0.00 0.03 0.00 0.00 46.19 44.82 1ws8 s LEU 76 CO 0.35 -0.36 1.57 2.29 0.23 0.00 0.00 176.35 180.43 1ws8 n LYS 77 N 3.63 3.66 -3.71 1.70 0.00 -1.26 0.11 118.16 122.28 1ws8 n LYS 77 Ca 0.05 -2.99 -0.11 0.00 -0.00 0.00 0.00 58.31 55.26 1ws8 n LYS 77 Cb 0.37 -2.02 -0.11 0.00 -0.00 0.00 0.00 35.03 33.27 1ws8 n LYS 77 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.40 178.43 1ws8 s ARG 78 N -2.83 0.40 0.72 -1.58 0.52 -1.26 -4.89 118.95 110.02 1ws8 s ARG 78 Ca 0.48 0.70 -0.13 0.00 -0.52 0.00 0.00 55.73 56.25 1ws8 s ARG 78 Cb 0.38 0.04 0.03 0.00 0.52 0.00 0.00 34.95 35.92 1ws8 s ARG 78 CO 0.11 -0.13 1.11 -1.25 0.02 0.00 0.00 175.30 175.17 1ws8 s PRO 79 N 1.04 2.46 0.00 3.54 0.04 -1.26 -4.84 135.00 135.97 1ws8 s PRO 79 Ca -0.07 1.35 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1ws8 s PRO 79 Cb -0.07 -1.91 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ws8 s PRO 79 CO -0.09 -1.51 0.00 0.41 0.04 0.00 0.00 177.00 175.85 1ws8 n GLY 80 N -0.66 0.75 3.38 0.56 0.00 -1.03 -4.95 105.19 103.25 1ws8 n GLY 80 Ca 0.10 -2.08 -0.33 0.00 0.00 0.00 0.00 46.02 43.71 1ws8 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws8 s THR 81 N -1.47 2.95 0.04 2.61 2.01 -1.26 -0.04 115.64 120.47 1ws8 s THR 81 Ca 0.00 -0.72 0.09 0.00 0.31 0.00 0.00 61.69 61.37 1ws8 s THR 81 Cb 0.00 -2.20 -0.03 0.00 0.01 0.00 0.00 72.50 70.28 1ws8 s THR 81 CO 0.00 0.54 -0.26 -0.36 -0.69 0.00 0.00 174.62 173.86 1ws8 s PHE 82 N 0.06 2.26 -0.08 4.92 0.40 0.85 -4.96 117.98 121.44 1ws8 s PHE 82 Ca -0.06 -0.41 0.05 0.00 -0.60 0.00 0.00 56.93 55.91 1ws8 s PHE 82 Cb -0.15 -1.37 -0.00 0.00 0.51 0.00 0.00 43.02 42.01 1ws8 s PHE 82 CO 0.05 0.10 -0.23 0.71 0.70 0.00 0.00 175.22 176.55 1ws8 s TYR 83 N -0.78 2.39 0.02 0.36 1.51 -1.25 -0.38 117.35 119.21 1ws8 s TYR 83 Ca 0.11 -0.85 0.03 0.00 -1.01 0.00 0.00 57.07 55.35 1ws8 s TYR 83 Cb -0.10 -1.59 -0.02 0.00 -0.11 0.00 0.00 41.96 40.15 1ws8 s TYR 83 CO 0.02 -0.31 -0.10 -0.06 -1.11 0.00 0.00 175.55 173.99 1ws8 s PHE 84 N 0.14 0.85 0.16 2.71 0.40 -0.67 -1.34 117.98 120.23 1ws8 s PHE 84 Ca -0.12 -0.31 -0.14 0.00 -0.60 0.00 0.00 56.93 55.76 1ws8 s PHE 84 Cb -0.16 -0.51 0.01 0.00 0.51 0.00 0.00 43.02 42.87 1ws8 s PHE 84 CO 0.06 -0.02 0.39 -0.48 0.70 0.00 0.00 175.22 175.88 1ws8 s LEU 85 N -0.93 0.54 -0.15 -0.37 0.05 -0.64 -0.27 118.68 116.91 1ws8 s LEU 85 Ca -0.02 -0.60 -0.17 0.00 0.05 0.00 0.00 54.13 53.40 1ws8 s LEU 85 Cb -0.07 1.68 -0.04 0.00 -2.05 0.00 0.00 46.19 45.71 1ws8 s LEU 85 CO 0.00 -0.94 0.42 0.00 -0.55 0.00 0.00 176.35 175.29 1ws8 n GLY 87 N 3.47 -0.64 3.74 0.00 0.00 -1.26 -3.65 105.19 106.85 1ws8 n GLY 87 Ca -0.08 -0.32 -0.42 0.00 0.00 0.00 0.00 46.02 45.20 1ws8 n GLY 87 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ws8 s ILE 88 N -2.23 2.63 -0.42 -0.61 -1.09 -1.26 -4.82 121.20 113.40 1ws8 s ILE 88 Ca 0.35 0.50 -0.43 0.00 -2.23 0.00 0.00 60.65 58.84 1ws8 s ILE 88 Cb 0.21 -3.32 -0.19 0.00 -1.58 0.00 0.00 42.46 37.58 1ws8 s ILE 88 CO 0.41 0.07 1.44 -2.65 -1.23 0.00 0.00 174.94 172.98 1ws8 n PRO 89 N 2.91 0.00 0.00 2.79 -0.02 -1.26 -1.40 135.00 138.03 1ws8 n PRO 89 Ca 0.09 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.57 1ws8 n PRO 89 Cb 0.40 -1.40 0.00 0.00 -0.02 0.00 0.00 33.50 32.47 1ws8 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ws8 n GLY 90 N 3.50 2.85 0.30 -1.23 0.00 -1.26 -4.87 105.19 104.47 1ws8 n GLY 90 Ca 0.28 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 46.25 1ws8 n GLY 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ws8 h HIS 91 N 0.00 0.96 -0.70 1.61 3.86 -1.50 -2.31 115.15 117.07 1ws8 h HIS 91 Ca 0.00 -0.13 -0.06 0.00 -1.16 0.00 0.00 60.37 59.02 1ws8 h HIS 91 Cb 0.00 -0.26 -0.03 0.00 1.06 0.00 0.00 27.41 28.18 1ws8 h HIS 91 CO 0.00 0.85 0.18 0.00 0.86 0.00 0.00 177.93 179.82 1ws8 h GLN 93 N 1.04 0.00 0.00 0.00 7.50 -1.84 -1.05 115.11 120.76 1ws8 h GLN 93 Ca 0.22 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.37 1ws8 h GLN 93 Cb 0.35 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.88 1ws8 h GLN 93 CO -0.00 0.20 0.00 1.28 -1.50 0.00 0.00 178.83 178.81 1ws8 n LEU 94 N -3.73 0.00 0.00 1.46 4.77 -0.90 -4.88 117.00 113.72 1ws8 n LEU 94 Ca -0.02 0.24 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1ws8 n LEU 94 Cb 0.31 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 1ws8 n LEU 94 CO 0.33 -0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.00 1ws8 n GLY 95 N 1.23 1.01 3.24 -0.72 0.00 -0.40 -4.93 105.19 104.63 1ws8 n GLY 95 Ca 0.16 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.75 1ws8 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ws8 n GLN 96 N -1.04 3.26 -3.61 1.61 7.27 -0.71 -4.73 117.38 119.43 1ws8 n GLN 96 Ca 0.00 -3.36 -0.14 0.00 0.07 0.00 0.00 57.00 53.57 1ws8 n GLN 96 Cb 0.00 -3.22 -0.06 0.00 2.41 0.00 0.00 30.24 29.37 1ws8 n GLN 96 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1ws8 s LYS 97 N 2.52 0.96 -0.15 3.69 -2.85 -1.26 -2.00 119.74 120.64 1ws8 s LYS 97 Ca 0.47 -0.16 -0.11 0.00 -1.00 0.00 0.00 55.97 55.17 1ws8 s LYS 97 Cb 0.05 0.44 0.04 0.00 -2.06 0.00 0.00 37.83 36.30 1ws8 s LYS 97 CO 0.01 -0.32 0.38 0.54 0.10 0.00 0.00 175.35 176.05 1ws8 s VAL 98 N -2.03 -0.01 -0.20 1.79 0.11 0.63 -4.71 120.40 115.99 1ws8 s VAL 98 Ca -0.08 0.04 -0.08 0.00 -2.93 0.00 0.00 61.98 58.93 1ws8 s VAL 98 Cb -0.01 -0.54 -0.04 0.00 -1.53 0.00 0.00 36.38 34.25 1ws8 s VAL 98 CO 0.01 0.02 0.09 -0.70 -3.33 0.00 0.00 175.10 171.19 1ws8 s GLU 99 N 0.65 3.99 -0.16 1.54 2.12 -1.26 -1.67 118.70 123.90 1ws8 s GLU 99 Ca -0.04 -0.33 0.01 0.00 0.36 0.00 0.00 54.97 54.97 1ws8 s GLU 99 Cb -0.05 -3.30 0.00 0.00 0.26 0.00 0.00 34.13 31.04 1ws8 s GLU 99 CO -0.04 0.20 -0.17 0.42 -0.54 0.00 0.00 175.26 175.13 1ws8 s ILE 100 N 0.59 2.46 -0.27 -3.70 -1.09 0.48 -4.89 121.20 114.78 1ws8 s ILE 100 Ca 0.05 -0.83 -0.07 0.00 -2.23 0.00 0.00 60.65 57.56 1ws8 s ILE 100 Cb -0.13 -2.03 -0.01 0.00 -1.58 0.00 0.00 42.46 38.71 1ws8 s ILE 100 CO 0.01 0.52 0.07 -0.54 -1.23 0.00 0.00 174.94 173.77 1ws8 s LYS 101 N 0.95 3.36 -0.17 2.79 1.02 -1.26 -0.10 119.74 126.33 1ws8 s LYS 101 Ca -0.03 -0.67 -0.12 0.00 0.02 0.00 0.00 55.97 55.16 1ws8 s LYS 101 Cb -0.15 -3.32 -0.05 0.00 -0.52 0.00 0.00 37.83 33.79 1ws8 s LYS 101 CO -0.03 -0.31 0.24 0.08 -0.92 0.00 0.00 175.35 174.40 1ws8 s VAL 102 N 1.55 5.34 0.00 3.17 1.01 0.94 -4.24 120.40 128.17 1ws8 s VAL 102 Ca 0.05 0.43 0.00 0.00 0.00 0.00 0.00 61.98 62.45 1ws8 s VAL 102 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ws8 s VAL 102 CO 0.02 0.41 0.00 0.47 0.00 0.00 0.00 175.10 176.01