#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws7 s ALA 2 N 0.00 -3.00 0.01 3.04 0.00 -1.26 -4.64 121.76 115.91 1ws7 s ALA 2 Ca 0.00 1.75 0.02 0.00 0.00 0.00 0.00 51.96 53.73 1ws7 s ALA 2 Cb 0.00 -2.27 -0.01 0.00 0.00 0.00 0.00 23.12 20.84 1ws7 s ALA 2 CO 0.00 -1.22 -0.06 0.99 0.00 0.00 0.00 175.76 175.47 1ws7 s THR 3 N 2.70 0.47 -0.31 0.00 2.01 -1.26 -4.98 115.64 114.27 1ws7 s THR 3 Ca 0.01 -0.50 -0.14 0.00 0.31 0.00 0.00 61.69 61.37 1ws7 s THR 3 Cb -0.09 -0.44 -0.03 0.00 0.01 0.00 0.00 72.50 71.95 1ws7 s THR 3 CO -0.15 -0.03 0.30 -0.69 -0.69 0.00 0.00 174.62 173.35 1ws7 s VAL 4 N -0.52 5.23 -0.41 3.82 1.01 -1.26 -1.19 120.40 127.08 1ws7 s VAL 4 Ca -0.02 0.14 -0.15 0.00 0.00 0.00 0.00 61.98 61.95 1ws7 s VAL 4 Cb -0.05 -3.70 0.02 0.00 0.00 0.00 0.00 36.38 32.66 1ws7 s VAL 4 CO 0.00 0.07 0.33 -1.00 0.00 0.00 0.00 175.10 174.49 1ws7 s HIS 5 N 1.90 3.23 -0.62 5.22 3.76 0.13 -4.96 115.29 123.96 1ws7 s HIS 5 Ca 0.10 -0.57 -0.28 0.00 -0.15 0.00 0.00 55.06 54.16 1ws7 s HIS 5 Cb -0.16 -2.67 0.03 0.00 1.11 0.00 0.00 32.58 30.89 1ws7 s HIS 5 CO 0.11 -0.62 1.25 0.21 -0.85 0.00 0.00 174.74 174.85 1ws7 s LYS 6 N 1.75 3.39 -0.11 1.40 2.20 -1.26 -1.12 119.74 125.98 1ws7 s LYS 6 Ca 0.06 0.15 -0.33 0.00 -0.36 0.00 0.00 55.97 55.48 1ws7 s LYS 6 Cb -0.19 -4.08 -0.11 0.00 -1.51 0.00 0.00 37.83 31.94 1ws7 s LYS 6 CO 0.10 -1.86 1.95 0.28 -0.36 0.00 0.00 175.35 175.46 1ws7 n VAL 7 N 6.62 0.55 -1.04 4.02 0.31 -0.59 -0.55 118.33 127.66 1ws7 n VAL 7 Ca 0.08 -0.15 -0.01 0.00 -0.01 0.00 0.00 64.34 64.24 1ws7 n VAL 7 Cb 0.49 -1.95 -0.01 0.00 -0.91 0.00 0.00 33.84 31.46 1ws7 n VAL 7 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws7 n GLY 8 N 4.71 0.49 7.00 2.92 0.00 -1.26 -3.72 105.19 115.33 1ws7 n GLY 8 Ca 0.25 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 46.03 1ws7 n GLY 8 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ws7 n ASP 9 N 0.18 0.00 0.28 1.61 8.00 0.29 -1.18 116.55 125.74 1ws7 n ASP 9 Ca -0.01 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.63 1ws7 n ASP 9 Cb 0.12 0.00 0.83 0.00 -0.02 0.00 0.00 41.12 42.06 1ws7 n ASP 9 CO 0.00 0.00 0.00 0.77 -0.39 0.00 0.00 177.20 177.58 1ws7 h SER 10 N 3.27 0.00 0.19 -2.24 4.64 -1.89 -1.91 113.55 115.62 1ws7 h SER 10 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1ws7 h SER 10 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1ws7 h SER 10 CO 0.00 0.07 -0.37 0.74 -0.87 0.00 0.00 176.83 176.40 1ws7 h THR 11 N 0.00 1.29 -0.28 2.95 2.02 -1.48 -3.48 112.91 113.93 1ws7 h THR 11 Ca -0.00 -1.42 0.00 0.00 0.77 0.00 0.00 66.41 65.76 1ws7 h THR 11 Cb 0.22 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.24 1ws7 h THR 11 CO 0.01 0.43 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1ws7 n GLY 12 N -0.28 -0.32 3.37 2.16 0.00 -0.72 -4.60 105.19 104.81 1ws7 n GLY 12 Ca -0.01 -1.06 -0.44 0.00 0.00 0.00 0.00 46.02 44.51 1ws7 n GLY 12 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 1ws7 s TRP 13 N 0.00 3.26 0.34 1.61 -0.00 0.03 -4.38 118.94 119.80 1ws7 s TRP 13 Ca 0.00 -1.00 -0.13 0.00 -0.00 0.00 0.00 56.10 54.97 1ws7 s TRP 13 Cb 0.00 -3.13 0.03 0.00 -0.00 0.00 0.00 33.47 30.37 1ws7 s TRP 13 CO 0.00 -0.80 0.66 -0.08 -0.00 0.00 0.00 176.95 176.73 1ws7 s THR 14 N 1.61 0.00 0.00 5.86 -1.32 -1.26 -4.56 115.64 115.97 1ws7 s THR 14 Ca 0.04 -1.20 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1ws7 s THR 14 Cb -0.24 -2.58 0.00 0.00 -1.51 0.00 0.00 72.50 68.17 1ws7 s THR 14 CO 0.06 0.00 0.41 0.35 -2.21 0.00 0.00 174.62 173.24 1ws7 n THR 15 N -0.51 0.13 0.01 5.08 -2.24 -1.26 -4.77 114.28 110.73 1ws7 n THR 15 Ca -0.05 -0.38 0.19 0.00 -2.27 0.00 0.00 64.05 61.55 1ws7 n THR 15 Cb 0.60 1.23 0.67 0.00 -2.10 0.00 0.00 70.33 70.74 1ws7 n THR 15 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 1ws7 h LEU 16 N 0.00 0.03 -7.89 3.22 4.07 -1.99 -3.42 115.31 109.33 1ws7 h LEU 16 Ca 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 57.88 57.86 1ws7 h LEU 16 Cb 0.29 -0.01 -0.15 0.00 1.08 0.00 0.00 40.66 41.88 1ws7 h LEU 16 CO 0.00 0.02 -0.45 0.68 -1.08 0.00 0.00 178.44 177.61 1ws7 s VAL 17 N -5.05 0.15 0.34 1.22 -7.23 -1.26 -5.12 120.40 103.45 1ws7 s VAL 17 Ca -0.05 -1.24 -0.28 0.00 -1.81 0.00 0.00 61.98 58.59 1ws7 s VAL 17 Cb 0.20 -1.26 -0.10 0.00 0.56 0.00 0.00 36.38 35.78 1ws7 s VAL 17 CO 0.73 -0.69 1.27 -2.84 -0.31 0.00 0.00 175.10 173.26 1ws7 s PRO 18 N -3.55 4.29 -0.08 4.82 0.02 -1.26 -4.99 135.00 134.26 1ws7 s PRO 18 Ca 0.03 2.13 -0.03 0.00 0.02 0.00 0.00 61.00 63.15 1ws7 s PRO 18 Cb 0.04 -3.00 0.04 0.00 0.02 0.00 0.00 34.50 31.61 1ws7 s PRO 18 CO -0.09 -0.21 0.17 -0.47 -0.33 0.00 0.00 177.00 176.07 1ws7 s TYR 19 N -1.19 -0.20 -1.10 6.54 5.04 -1.26 -5.09 117.35 120.09 1ws7 s TYR 19 Ca 0.50 0.57 -0.21 0.00 -2.44 0.00 0.00 57.07 55.50 1ws7 s TYR 19 Cb -0.38 -0.10 0.07 0.00 0.35 0.00 0.00 41.96 41.90 1ws7 s TYR 19 CO 0.50 -0.21 1.50 0.34 -1.34 0.00 0.00 175.55 176.35 1ws7 s ASP 20 N 1.48 6.64 0.41 4.32 -1.08 -1.26 -4.81 116.67 122.37 1ws7 s ASP 20 Ca -0.06 -1.88 0.16 0.00 -0.52 0.00 0.00 52.55 50.24 1ws7 s ASP 20 Cb -0.12 -2.55 0.90 0.00 -1.46 0.00 0.00 42.92 39.70 1ws7 s ASP 20 CO -0.06 -1.33 1.90 1.88 0.52 0.00 0.00 175.17 178.08 1ws7 h TYR 21 N 8.91 0.00 -0.42 -5.34 -1.99 -1.85 -1.54 116.97 114.74 1ws7 h TYR 21 Ca 0.28 0.00 -0.04 0.00 2.00 0.00 0.00 58.73 60.97 1ws7 h TYR 21 Cb 0.96 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.68 1ws7 h TYR 21 CO 1.30 0.29 0.10 0.00 -0.00 0.00 0.00 178.16 179.86 1ws7 h ALA 22 N 1.71 0.55 -0.37 3.88 0.00 -1.87 -0.32 119.26 122.83 1ws7 h ALA 22 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 1ws7 h ALA 22 Cb 0.55 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 1ws7 h ALA 22 CO 0.04 0.23 -0.10 0.87 0.00 0.00 0.00 179.25 180.28 1ws7 h LYS 23 N 0.53 0.64 -0.17 0.00 1.57 -1.87 -1.75 116.57 115.52 1ws7 h LYS 23 Ca 0.13 -0.19 -0.01 0.00 -1.87 0.00 0.00 60.65 58.71 1ws7 h LYS 23 Cb 0.31 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1ws7 h LYS 23 CO 0.00 0.73 0.07 2.35 -0.57 0.00 0.00 179.45 182.03 1ws7 h TRP 24 N 0.59 0.25 -0.71 -1.35 7.01 -0.84 -1.85 115.95 119.05 1ws7 h TRP 24 Ca 0.11 -0.02 0.02 0.00 2.11 0.00 0.00 58.89 61.11 1ws7 h TRP 24 Cb 0.52 -0.08 -0.04 0.00 -2.10 0.00 0.00 29.16 27.46 1ws7 h TRP 24 CO 0.02 0.30 0.47 0.00 -2.79 0.00 0.00 178.44 176.44 1ws7 h ALA 25 N 0.93 1.55 0.00 2.65 0.00 -0.79 -1.48 119.26 122.13 1ws7 h ALA 25 Ca 0.06 -0.04 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ws7 h ALA 25 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1ws7 h ALA 25 CO -0.01 0.39 -0.19 0.77 0.00 0.00 0.00 179.25 180.21 1ws7 h SER 26 N 0.90 0.00 -0.10 0.00 0.02 -0.93 -2.01 113.55 111.43 1ws7 h SER 26 Ca 0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.22 1ws7 h SER 26 Cb -0.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.53 1ws7 h SER 26 CO -0.07 0.19 0.00 -1.54 -1.14 0.00 0.00 176.83 174.27 1ws7 n SER 27 N -3.42 0.79 -4.35 3.07 3.41 -0.56 -4.83 113.62 107.73 1ws7 n SER 27 Ca -0.00 -1.68 -0.23 0.00 -0.26 0.00 0.00 58.87 56.70 1ws7 n SER 27 Cb 0.38 -0.07 -0.11 0.00 -0.26 0.00 0.00 64.21 64.16 1ws7 n SER 27 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 1ws7 s ASN 28 N -1.41 2.84 -0.25 4.04 0.01 -0.76 -5.09 114.94 114.32 1ws7 s ASN 28 Ca 0.25 -0.87 0.03 0.00 -0.71 0.00 0.00 52.86 51.56 1ws7 s ASN 28 Cb 0.12 -0.18 0.06 0.00 0.41 0.00 0.00 41.25 41.66 1ws7 s ASN 28 CO 0.19 -0.00 -0.11 -0.54 -1.51 0.00 0.00 177.10 175.13 1ws7 s LYS 29 N -2.78 2.22 -0.18 -0.60 1.02 -1.26 -4.97 119.74 113.18 1ws7 s LYS 29 Ca 0.17 -1.30 -0.16 0.00 0.02 0.00 0.00 55.97 54.70 1ws7 s LYS 29 Cb -0.06 -2.85 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 1ws7 s LYS 29 CO 0.07 -0.56 0.39 -0.06 -0.92 0.00 0.00 175.35 174.28 1ws7 s PHE 30 N 1.13 3.41 0.04 3.18 0.40 -1.26 -5.03 117.98 119.86 1ws7 s PHE 30 Ca -0.08 0.66 0.05 0.00 -0.60 0.00 0.00 56.93 56.96 1ws7 s PHE 30 Cb -0.20 -2.49 -0.02 0.00 0.51 0.00 0.00 43.02 40.82 1ws7 s PHE 30 CO -0.05 0.07 -0.15 -1.01 0.70 0.00 0.00 175.22 174.78 1ws7 s HIS 31 N 1.03 1.29 0.24 0.36 3.76 -1.26 0.83 115.29 121.54 1ws7 s HIS 31 Ca 0.20 -0.36 -0.30 0.00 -0.15 0.00 0.00 55.06 54.45 1ws7 s HIS 31 Cb -0.14 -0.76 -0.15 0.00 1.11 0.00 0.00 32.58 32.63 1ws7 s HIS 31 CO 0.07 0.04 1.00 0.28 -0.85 0.00 0.00 174.74 175.29 1ws7 n VAL 32 N 1.84 1.63 0.00 -0.90 0.31 -1.26 -1.12 118.33 118.82 1ws7 n VAL 32 Ca -0.18 -0.41 0.00 0.00 -0.01 0.00 0.00 64.34 63.74 1ws7 n VAL 32 Cb 0.54 -0.82 0.00 0.00 -0.91 0.00 0.00 33.84 32.66 1ws7 n VAL 32 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1ws7 n GLY 33 N 1.58 2.89 2.78 2.92 0.00 0.11 -4.83 105.19 110.63 1ws7 n GLY 33 Ca 0.12 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.93 1ws7 n GLY 33 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1ws7 n ASP 34 N 0.00 -0.41 -3.81 1.61 8.00 -0.28 -4.52 116.55 117.14 1ws7 n ASP 34 Ca 0.00 -1.26 -0.09 0.00 0.71 0.00 0.00 54.79 54.15 1ws7 n ASP 34 Cb 0.00 -0.75 -0.06 0.00 -0.02 0.00 0.00 41.12 40.29 1ws7 n ASP 34 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1ws7 s SER 35 N -4.36 0.00 -0.04 -2.24 1.04 -0.33 -1.29 113.70 106.48 1ws7 s SER 35 Ca 0.55 -0.60 0.04 0.00 0.48 0.00 0.00 55.95 56.42 1ws7 s SER 35 Cb -0.02 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.47 1ws7 s SER 35 CO 0.39 -0.80 -0.13 -0.76 0.98 0.00 0.00 173.24 172.92 1ws7 s LEU 36 N -2.86 2.79 -0.23 2.42 1.43 0.14 -0.69 118.68 121.68 1ws7 s LEU 36 Ca 0.07 -0.20 0.02 0.00 -1.03 0.00 0.00 54.13 52.98 1ws7 s LEU 36 Cb 0.04 -1.58 0.05 0.00 0.03 0.00 0.00 46.19 44.72 1ws7 s LEU 36 CO -0.09 0.33 -0.11 -0.22 0.23 0.00 0.00 176.35 176.49 1ws7 s LEU 37 N -0.86 2.75 -0.39 1.79 2.96 -0.28 -0.11 118.68 124.55 1ws7 s LEU 37 Ca 0.12 -1.10 -0.14 0.00 -0.22 0.00 0.00 54.13 52.80 1ws7 s LEU 37 Cb -0.11 -1.38 0.01 0.00 0.50 0.00 0.00 46.19 45.22 1ws7 s LEU 37 CO 0.02 -0.16 0.27 -0.36 -1.32 0.00 0.00 176.35 174.80 1ws7 s PHE 38 N 1.27 3.24 -0.18 5.38 0.40 -0.36 -1.55 117.98 126.18 1ws7 s PHE 38 Ca -0.04 -0.54 -0.07 0.00 -0.60 0.00 0.00 56.93 55.68 1ws7 s PHE 38 Cb -0.18 -2.54 -0.04 0.00 0.51 0.00 0.00 43.02 40.77 1ws7 s PHE 38 CO -0.07 -0.54 0.05 -0.80 0.70 0.00 0.00 175.22 174.56 1ws7 s ASN 39 N 1.68 5.54 0.11 1.36 0.02 -1.26 -1.76 114.94 120.63 1ws7 s ASN 39 Ca 0.05 0.07 -0.26 0.00 -1.02 0.00 0.00 52.86 51.69 1ws7 s ASN 39 Cb -0.19 -1.94 0.08 0.00 0.02 0.00 0.00 41.25 39.22 1ws7 s ASN 39 CO 0.10 0.18 1.03 -0.72 0.02 0.00 0.00 177.10 177.71 1ws7 s TYR 40 N 0.32 -0.12 -0.64 2.20 -0.85 -0.52 -0.79 117.35 116.95 1ws7 s TYR 40 Ca 0.03 -0.14 -0.27 0.00 -0.52 0.00 0.00 57.07 56.16 1ws7 s TYR 40 Cb -0.12 0.62 0.03 0.00 0.38 0.00 0.00 41.96 42.87 1ws7 s TYR 40 CO 0.00 -0.70 1.20 1.21 -1.52 0.00 0.00 175.55 175.74 1ws7 s ASN 41 N -2.93 6.31 0.00 -0.18 3.84 -1.26 -4.54 114.94 116.18 1ws7 s ASN 41 Ca 0.12 -0.21 0.13 0.00 0.21 0.00 0.00 52.86 53.11 1ws7 s ASN 41 Cb -0.00 -2.54 0.75 0.00 -0.55 0.00 0.00 41.25 38.91 1ws7 s ASN 41 CO 0.01 -1.60 1.17 -0.46 -2.79 0.00 0.00 177.10 173.43 1ws7 n ASN 42 N 8.70 0.00 0.07 -4.21 2.04 -1.26 -1.72 115.26 118.87 1ws7 n ASN 42 Ca 0.05 -0.52 -0.02 0.00 -0.44 0.00 0.00 54.58 53.65 1ws7 n ASN 42 Cb 0.49 0.00 -0.06 0.00 -2.53 0.00 0.00 39.78 37.67 1ws7 n ASN 42 CO 0.00 0.00 0.00 0.50 -0.44 0.00 0.00 177.26 177.32 1ws7 h LYS 43 N 0.00 0.00 -0.01 -3.83 3.64 -1.93 -3.38 116.57 111.06 1ws7 h LYS 43 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ws7 h LYS 43 Cb 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1ws7 h LYS 43 CO 0.00 0.55 -0.03 1.19 -2.27 0.00 0.00 179.45 178.89 1ws7 n PHE 44 N -3.13 0.00 -4.09 1.91 0.99 -0.70 -5.06 117.46 107.38 1ws7 n PHE 44 Ca -0.04 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.30 1ws7 n PHE 44 Cb 0.85 0.00 -0.08 0.00 -1.00 0.00 0.00 39.48 39.26 1ws7 n PHE 44 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.76 175.75 1ws7 s HIS 45 N -0.55 0.76 0.28 1.38 3.76 -1.06 -4.91 115.29 114.93 1ws7 s HIS 45 Ca 0.06 -1.05 -0.10 0.00 -0.15 0.00 0.00 55.06 53.81 1ws7 s HIS 45 Cb 0.04 -0.21 -0.00 0.00 1.11 0.00 0.00 32.58 33.52 1ws7 s HIS 45 CO 0.08 -0.78 0.48 0.54 -0.85 0.00 0.00 174.74 174.20 1ws7 s ASN 46 N -3.08 0.16 -0.14 1.40 6.03 -1.26 -4.61 114.94 113.43 1ws7 s ASN 46 Ca 0.30 -1.10 0.00 0.00 -1.03 0.00 0.00 52.86 51.03 1ws7 s ASN 46 Cb 0.04 0.61 0.03 0.00 -3.03 0.00 0.00 41.25 38.89 1ws7 s ASN 46 CO 0.09 -1.19 -0.10 -0.69 -2.03 0.00 0.00 177.10 173.17 1ws7 s VAL 47 N -3.70 1.34 -0.07 3.54 1.01 -0.49 -4.17 120.40 117.86 1ws7 s VAL 47 Ca 0.25 -0.56 0.05 0.00 0.00 0.00 0.00 61.98 61.72 1ws7 s VAL 47 Cb -0.00 -1.34 -0.01 0.00 0.00 0.00 0.00 36.38 35.03 1ws7 s VAL 47 CO 0.12 0.36 -0.23 -0.76 0.00 0.00 0.00 175.10 174.59 1ws7 s LEU 48 N 1.57 2.19 -0.13 3.92 1.43 0.08 -0.16 118.68 127.58 1ws7 s LEU 48 Ca 0.04 -0.48 -0.14 0.00 -1.03 0.00 0.00 54.13 52.52 1ws7 s LEU 48 Cb -0.13 -1.42 -0.05 0.00 0.03 0.00 0.00 46.19 44.62 1ws7 s LEU 48 CO -0.09 0.23 0.33 -1.58 0.23 0.00 0.00 176.35 175.47 1ws7 s GLN 49 N -0.08 4.18 0.34 1.70 0.74 -0.64 -1.18 119.66 124.72 1ws7 s GLN 49 Ca -0.06 0.18 0.05 0.00 0.05 0.00 0.00 55.36 55.59 1ws7 s GLN 49 Cb -0.14 -3.39 -0.03 0.00 1.10 0.00 0.00 33.01 30.55 1ws7 s GLN 49 CO 0.05 0.32 0.21 0.14 -0.55 0.00 0.00 175.29 175.45 1ws7 s VAL 50 N 0.20 0.21 0.63 1.34 -7.23 -0.38 -0.90 120.40 114.27 1ws7 s VAL 50 Ca 0.19 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.36 1ws7 s VAL 50 Cb -0.14 -2.45 0.08 0.00 0.56 0.00 0.00 36.38 34.43 1ws7 s VAL 50 CO 0.06 0.00 0.88 1.51 -0.31 0.00 0.00 175.10 177.24 1ws7 s ASP 51 N -3.43 4.85 0.19 4.85 1.47 -1.26 -3.85 116.67 119.49 1ws7 s ASP 51 Ca 0.35 -0.18 -0.13 0.00 1.18 0.00 0.00 52.55 53.77 1ws7 s ASP 51 Cb 0.03 -0.46 0.21 0.00 -0.34 0.00 0.00 42.92 42.36 1ws7 s ASP 51 CO 0.22 -1.48 1.68 -0.61 0.68 0.00 0.00 175.17 175.66 1ws7 h GLN 52 N -0.21 0.12 -0.40 2.11 4.15 -1.96 -0.60 115.11 118.31 1ws7 h GLN 52 Ca -0.39 -0.01 0.01 0.00 0.77 0.00 0.00 58.65 59.03 1ws7 h GLN 52 Cb 1.28 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.92 1ws7 h GLN 52 CO 0.47 0.08 0.25 1.49 -1.93 0.00 0.00 178.83 179.18 1ws7 h GLU 53 N 0.12 0.48 -0.27 1.69 4.81 -2.00 -0.96 114.58 118.45 1ws7 h GLU 53 Ca 0.27 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.36 1ws7 h GLU 53 Cb 0.41 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.67 1ws7 h GLU 53 CO -0.44 0.32 -0.29 1.96 -0.73 0.00 0.00 179.01 179.83 1ws7 h GLN 54 N 0.50 0.56 0.18 1.92 4.20 -1.78 -2.35 115.11 118.34 1ws7 h GLN 54 Ca 0.16 -0.23 -0.01 0.00 0.06 0.00 0.00 58.65 58.63 1ws7 h GLN 54 Cb -0.01 -0.02 0.00 0.00 0.30 0.00 0.00 27.48 27.75 1ws7 h GLN 54 CO -0.06 0.79 -0.08 0.35 -0.67 0.00 0.00 178.83 179.15 1ws7 h PHE 55 N 0.48 -0.22 -0.57 2.96 3.57 -0.66 0.42 116.94 122.92 1ws7 h PHE 55 Ca 0.06 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.59 1ws7 h PHE 55 Cb 0.75 0.07 -0.04 0.00 2.79 0.00 0.00 35.95 39.52 1ws7 h PHE 55 CO 0.03 -0.12 0.34 -0.22 -2.23 0.00 0.00 178.31 176.11 1ws7 h LYS 56 N -0.25 0.66 -0.01 1.11 3.64 -1.07 -2.40 116.57 118.24 1ws7 h LYS 56 Ca -0.02 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.32 1ws7 h LYS 56 Cb 0.19 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.87 1ws7 h LYS 56 CO 0.04 0.43 -0.00 -1.13 -2.27 0.00 0.00 179.45 176.52 1ws7 n SER 57 N -4.76 1.12 -3.20 4.20 3.41 -0.89 -4.92 113.62 108.58 1ws7 n SER 57 Ca 0.05 -1.37 -0.22 0.00 -0.26 0.00 0.00 58.87 57.06 1ws7 n SER 57 Cb 0.09 0.00 0.06 0.00 -0.26 0.00 0.00 64.21 64.09 1ws7 n SER 57 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ws7 s ASN 59 N -2.99 6.53 -0.11 0.00 2.47 0.94 -4.91 114.94 116.86 1ws7 s ASN 59 Ca 0.42 0.42 0.14 0.00 0.42 0.00 0.00 52.86 54.27 1ws7 s ASN 59 Cb -0.19 -2.36 0.43 0.00 -1.45 0.00 0.00 41.25 37.68 1ws7 s ASN 59 CO 0.52 -0.57 1.34 -1.54 -3.72 0.00 0.00 177.10 173.14 1ws7 n SER 60 N 6.06 3.42 0.21 -4.21 3.41 -1.26 -4.65 113.62 116.61 1ws7 n SER 60 Ca 0.01 -2.66 0.08 0.00 -0.26 0.00 0.00 58.87 56.03 1ws7 n SER 60 Cb 0.49 -0.42 0.45 0.00 -0.26 0.00 0.00 64.21 64.47 1ws7 n SER 60 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1ws7 h SER 61 N 1.70 0.00 -1.81 4.04 0.02 -1.97 -3.38 113.55 112.15 1ws7 h SER 61 Ca 0.00 0.00 -0.52 0.00 -0.84 0.00 0.00 61.79 60.43 1ws7 h SER 61 Cb 1.16 0.00 -0.36 0.00 0.14 0.00 0.00 62.40 63.34 1ws7 h SER 61 CO 0.13 0.28 -1.03 -1.54 -1.14 0.00 0.00 176.83 173.54 1ws7 n SER 62 N -3.58 -0.25 -4.77 3.07 3.41 -1.26 -5.13 113.62 105.10 1ws7 n SER 62 Ca -0.01 -2.73 -0.36 0.00 -0.26 0.00 0.00 58.87 55.52 1ws7 n SER 62 Cb 0.42 -0.35 0.00 0.00 -0.26 0.00 0.00 64.21 64.03 1ws7 n SER 62 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1ws7 s PRO 63 N -0.85 3.44 0.24 4.33 0.04 -1.26 -4.93 135.00 136.01 1ws7 s PRO 63 Ca 0.34 1.68 0.11 0.00 0.04 0.00 0.00 61.00 63.18 1ws7 s PRO 63 Cb 0.16 -2.12 0.20 0.00 0.04 0.00 0.00 34.50 32.79 1ws7 s PRO 63 CO -0.13 -0.79 1.51 0.00 0.04 0.00 0.00 177.00 177.63 1ws7 h ALA 64 N 1.42 0.75 -1.99 8.56 0.00 -1.40 -3.46 119.26 123.14 1ws7 h ALA 64 Ca -0.50 -0.62 -0.05 0.00 0.00 0.00 0.00 54.91 53.74 1ws7 h ALA 64 Cb 1.26 -0.11 -0.20 0.00 0.00 0.00 0.00 17.79 18.74 1ws7 h ALA 64 CO 0.58 0.86 0.18 0.00 0.00 0.00 0.00 179.25 180.86 1ws7 s ALA 65 N -3.25 -1.78 -0.12 0.00 0.00 -1.24 -4.99 121.76 110.38 1ws7 s ALA 65 Ca 0.00 1.53 0.00 0.00 0.00 0.00 0.00 51.96 53.49 1ws7 s ALA 65 Cb 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1ws7 s ALA 65 CO 0.77 -0.36 -0.10 0.45 0.00 0.00 0.00 175.76 176.51 1ws7 s SER 66 N -0.74 2.34 -0.08 0.00 0.15 -1.26 -1.62 113.70 112.49 1ws7 s SER 66 Ca -0.08 -0.37 0.00 0.00 0.70 0.00 0.00 55.95 56.21 1ws7 s SER 66 Cb -0.01 -0.96 -0.03 0.00 -1.71 0.00 0.00 66.02 63.31 1ws7 s SER 66 CO 0.07 -0.09 -0.07 -0.31 1.20 0.00 0.00 173.24 174.05 1ws7 s TYR 67 N 1.56 2.95 0.00 3.44 1.51 0.78 -4.99 117.35 122.60 1ws7 s TYR 67 Ca 0.04 -0.03 0.09 0.00 -1.01 0.00 0.00 57.07 56.16 1ws7 s TYR 67 Cb -0.13 -1.74 0.15 0.00 -0.11 0.00 0.00 41.96 40.13 1ws7 s TYR 67 CO -0.08 0.28 1.05 0.25 -1.11 0.00 0.00 175.55 175.93 1ws7 n THR 68 N 2.41 0.00 0.19 -0.71 -2.24 -1.26 -1.40 114.28 111.27 1ws7 n THR 68 Ca -0.18 -0.36 0.08 0.00 -2.27 0.00 0.00 64.05 61.33 1ws7 n THR 68 Cb 0.53 0.67 0.16 0.00 -2.10 0.00 0.00 70.33 69.58 1ws7 n THR 68 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1ws7 h SER 69 N 0.36 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.56 1ws7 h SER 69 Ca -0.09 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.23 1ws7 h SER 69 Cb 1.57 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.66 1ws7 h SER 69 CO 0.03 0.22 0.00 0.61 -0.87 0.00 0.00 176.83 176.83 1ws7 n GLY 70 N 1.03 1.39 2.62 -0.77 0.00 -1.26 -4.81 105.19 103.39 1ws7 n GLY 70 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.94 1ws7 n GLY 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ws7 n ALA 71 N -0.72 0.07 -2.40 4.61 0.00 -1.16 -1.43 120.51 119.47 1ws7 n ALA 71 Ca 0.00 -1.85 -0.42 0.00 0.00 0.00 0.00 53.44 51.16 1ws7 n ALA 71 Cb 0.00 -1.09 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 1ws7 n ALA 71 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ws7 s ASP 72 N -1.53 7.01 -0.45 0.00 -0.00 -0.72 -4.83 116.67 116.14 1ws7 s ASP 72 Ca 0.26 1.90 -0.11 0.00 -0.00 0.00 0.00 52.55 54.60 1ws7 s ASP 72 Cb 0.32 -2.56 0.09 0.00 -0.00 0.00 0.00 42.92 40.76 1ws7 s ASP 72 CO -0.06 -0.60 0.32 -0.55 -0.00 0.00 0.00 175.17 174.28 1ws7 s SER 73 N 1.53 5.82 -0.26 0.27 0.15 -1.26 -1.22 113.70 118.72 1ws7 s SER 73 Ca 0.58 -1.52 -0.08 0.00 0.70 0.00 0.00 55.95 55.63 1ws7 s SER 73 Cb -0.27 -2.06 -0.03 0.00 -1.71 0.00 0.00 66.02 61.96 1ws7 s SER 73 CO 0.24 -0.61 0.09 -0.63 1.20 0.00 0.00 173.24 173.53 1ws7 s ILE 74 N 1.49 4.39 0.49 6.45 1.01 0.85 -4.91 121.20 130.96 1ws7 s ILE 74 Ca 0.04 -0.20 -0.21 0.00 0.00 0.00 0.00 60.65 60.28 1ws7 s ILE 74 Cb -0.24 -3.09 -0.07 0.00 0.01 0.00 0.00 42.46 39.07 1ws7 s ILE 74 CO 0.03 0.29 1.09 -2.16 0.00 0.00 0.00 174.94 174.19 1ws7 s PRO 75 N 1.62 3.69 -0.65 2.79 0.04 -1.26 0.27 135.00 141.50 1ws7 s PRO 75 Ca 0.06 1.54 0.04 0.00 0.04 0.00 0.00 61.00 62.68 1ws7 s PRO 75 Cb -0.15 -2.18 0.16 0.00 0.04 0.00 0.00 34.50 32.37 1ws7 s PRO 75 CO 0.04 -0.55 0.43 -0.51 0.04 0.00 0.00 177.00 176.46 1ws7 s LEU 76 N -3.40 4.73 0.00 -3.56 1.43 -0.41 -4.88 118.68 112.58 1ws7 s LEU 76 Ca 0.67 -3.54 0.24 0.00 -1.03 0.00 0.00 54.13 50.47 1ws7 s LEU 76 Cb -0.22 -1.66 0.29 0.00 0.03 0.00 0.00 46.19 44.63 1ws7 s LEU 76 CO 0.26 -0.15 1.28 0.29 0.23 0.00 0.00 176.35 178.26 1ws7 n LYS 77 N 2.42 1.31 -4.26 1.70 5.02 -1.26 0.04 118.16 123.12 1ws7 n LYS 77 Ca 0.15 -1.00 -0.17 0.00 -2.02 0.00 0.00 58.31 55.26 1ws7 n LYS 77 Cb 0.34 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.73 1ws7 n LYS 77 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 1ws7 s ARG 78 N -2.38 0.58 0.71 1.97 0.52 -1.26 -4.80 118.95 114.30 1ws7 s ARG 78 Ca 0.23 -0.25 -0.12 0.00 -0.52 0.00 0.00 55.73 55.07 1ws7 s ARG 78 Cb 0.19 -0.57 0.02 0.00 0.52 0.00 0.00 34.95 35.11 1ws7 s ARG 78 CO 0.50 0.15 1.08 -1.25 0.02 0.00 0.00 175.30 175.80 1ws7 s PRO 79 N -0.14 2.67 0.00 3.54 0.04 -1.26 -4.81 135.00 135.04 1ws7 s PRO 79 Ca 0.02 1.16 0.00 0.00 0.04 0.00 0.00 61.00 62.22 1ws7 s PRO 79 Cb -0.03 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ws7 s PRO 79 CO -0.00 -1.32 0.00 0.41 0.04 0.00 0.00 177.00 176.13 1ws7 n GLY 80 N -1.26 0.71 3.50 0.56 0.00 -0.99 -4.94 105.19 102.77 1ws7 n GLY 80 Ca 0.09 -2.14 -0.34 0.00 0.00 0.00 0.00 46.02 43.63 1ws7 n GLY 80 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1ws7 s THR 81 N -0.95 3.91 0.15 2.61 2.01 -1.26 -0.06 115.64 122.05 1ws7 s THR 81 Ca 0.00 -0.35 0.09 0.00 0.31 0.00 0.00 61.69 61.74 1ws7 s THR 81 Cb 0.00 -2.72 -0.04 0.00 0.01 0.00 0.00 72.50 69.75 1ws7 s THR 81 CO 0.00 0.49 -0.21 -0.36 -0.69 0.00 0.00 174.62 173.85 1ws7 s PHE 82 N 0.40 1.92 -0.03 4.92 0.40 0.74 -4.97 117.98 121.37 1ws7 s PHE 82 Ca -0.04 -0.43 0.06 0.00 -0.60 0.00 0.00 56.93 55.92 1ws7 s PHE 82 Cb -0.14 -0.99 -0.01 0.00 0.51 0.00 0.00 43.02 42.39 1ws7 s PHE 82 CO 0.03 0.32 -0.20 0.71 0.70 0.00 0.00 175.22 176.79 1ws7 s TYR 83 N -1.66 1.81 0.03 0.36 1.51 -1.25 -0.31 117.35 117.82 1ws7 s TYR 83 Ca 0.14 -0.40 0.02 0.00 -1.01 0.00 0.00 57.07 55.82 1ws7 s TYR 83 Cb -0.08 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1ws7 s TYR 83 CO 0.06 -0.08 -0.08 -0.06 -1.11 0.00 0.00 175.55 174.29 1ws7 s PHE 84 N -0.31 0.67 0.18 2.71 0.40 -0.74 -1.24 117.98 119.64 1ws7 s PHE 84 Ca 0.04 -0.33 -0.18 0.00 -0.60 0.00 0.00 56.93 55.85 1ws7 s PHE 84 Cb -0.09 -0.41 0.04 0.00 0.51 0.00 0.00 43.02 43.07 1ws7 s PHE 84 CO 0.00 -0.04 0.52 -0.48 0.70 0.00 0.00 175.22 175.92 1ws7 s LEU 85 N -1.00 0.01 -0.17 -0.37 0.05 -0.33 -0.51 118.68 116.36 1ws7 s LEU 85 Ca -0.04 -0.37 -0.16 0.00 0.05 0.00 0.00 54.13 53.61 1ws7 s LEU 85 Cb -0.07 2.19 -0.04 0.00 -2.05 0.00 0.00 46.19 46.21 1ws7 s LEU 85 CO 0.00 -1.01 0.39 0.00 -0.55 0.00 0.00 176.35 175.18 1ws7 n GLY 87 N 3.64 -1.18 3.72 0.00 0.00 -1.26 -3.58 105.19 106.53 1ws7 n GLY 87 Ca -0.09 -0.18 -0.43 0.00 0.00 0.00 0.00 46.02 45.33 1ws7 n GLY 87 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1ws7 n ILE 88 N -1.18 0.46 -1.44 -0.61 2.08 -1.26 -4.77 119.36 112.64 1ws7 n ILE 88 Ca 0.15 -0.11 -0.60 0.00 0.56 0.00 0.00 62.75 62.75 1ws7 n ILE 88 Cb 0.23 -1.90 -0.10 0.00 -0.75 0.00 0.00 39.64 37.13 1ws7 n ILE 88 CO 0.00 0.00 0.00 -2.65 0.56 0.00 0.00 176.55 174.46 1ws7 n PRO 89 N 3.08 0.00 0.00 0.38 -0.02 -1.26 -1.14 135.00 136.04 1ws7 n PRO 89 Ca 0.13 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1ws7 n PRO 89 Cb 0.35 -1.39 0.00 0.00 -0.02 0.00 0.00 33.50 32.43 1ws7 n PRO 89 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ws7 n GLY 90 N 5.04 2.96 0.27 -1.23 0.00 -1.26 -4.89 105.19 106.07 1ws7 n GLY 90 Ca 0.38 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.32 1ws7 n GLY 90 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 173.32 173.77 1ws7 h HIS 91 N 0.00 0.95 -0.88 1.61 3.86 -1.40 -1.92 115.15 117.37 1ws7 h HIS 91 Ca 0.00 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.09 1ws7 h HIS 91 Cb 0.00 -0.27 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 1ws7 h HIS 91 CO 0.00 0.82 0.52 0.00 0.86 0.00 0.00 177.93 180.13 1ws7 h GLN 93 N 1.21 0.00 -0.01 0.00 7.50 -1.83 -0.65 115.11 121.34 1ws7 h GLN 93 Ca 0.31 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.46 1ws7 h GLN 93 Cb -0.03 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.50 1ws7 h GLN 93 CO -0.06 0.11 -0.00 1.28 -1.50 0.00 0.00 178.83 178.66 1ws7 n LEU 94 N -3.37 0.51 0.00 1.46 4.77 -0.49 -4.88 117.00 114.99 1ws7 n LEU 94 Ca -0.01 -0.17 0.00 0.00 -0.03 0.00 0.00 56.01 55.81 1ws7 n LEU 94 Cb 0.29 -0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.38 1ws7 n LEU 94 CO 0.29 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.05 1ws7 n GLY 95 N 1.06 0.76 3.39 -0.72 0.00 -0.25 -4.89 105.19 104.54 1ws7 n GLY 95 Ca 0.22 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.81 1ws7 n GLY 95 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1ws7 n GLN 96 N -1.32 3.17 -3.55 1.61 7.27 -0.74 -4.75 117.38 119.08 1ws7 n GLN 96 Ca 0.00 -3.23 -0.17 0.00 0.07 0.00 0.00 57.00 53.67 1ws7 n GLN 96 Cb 0.00 -3.39 -0.06 0.00 2.41 0.00 0.00 30.24 29.20 1ws7 n GLN 96 CO 0.00 0.00 0.00 -1.59 0.07 0.00 0.00 177.06 175.54 1ws7 s LYS 97 N 3.62 1.02 -0.14 3.69 -2.85 -1.26 -2.21 119.74 121.60 1ws7 s LYS 97 Ca 0.51 0.20 -0.08 0.00 -1.00 0.00 0.00 55.97 55.59 1ws7 s LYS 97 Cb 0.05 0.48 0.05 0.00 -2.06 0.00 0.00 37.83 36.35 1ws7 s LYS 97 CO 0.04 -0.32 0.35 0.54 0.10 0.00 0.00 175.35 176.06 1ws7 s VAL 98 N -1.25 -0.03 -0.16 1.79 0.11 0.33 -4.67 120.40 116.52 1ws7 s VAL 98 Ca -0.11 0.10 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 1ws7 s VAL 98 Cb -0.01 -0.52 -0.05 0.00 -1.53 0.00 0.00 36.38 34.28 1ws7 s VAL 98 CO 0.09 0.04 0.31 -0.70 -3.33 0.00 0.00 175.10 171.51 1ws7 s GLU 99 N 1.19 4.26 -0.18 1.54 2.12 -1.26 -1.79 118.70 124.57 1ws7 s GLU 99 Ca -0.08 0.12 0.01 0.00 0.36 0.00 0.00 54.97 55.38 1ws7 s GLU 99 Cb -0.08 -3.43 0.02 0.00 0.26 0.00 0.00 34.13 30.90 1ws7 s GLU 99 CO -0.10 0.21 -0.19 0.42 -0.54 0.00 0.00 175.26 175.07 1ws7 s ILE 100 N 0.54 2.02 -0.35 -3.70 -1.09 0.57 -4.91 121.20 114.28 1ws7 s ILE 100 Ca 0.17 -0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 57.49 1ws7 s ILE 100 Cb -0.13 -1.86 -0.00 0.00 -1.58 0.00 0.00 42.46 38.88 1ws7 s ILE 100 CO 0.04 0.48 0.23 -0.54 -1.23 0.00 0.00 174.94 173.92 1ws7 s LYS 101 N 1.29 3.29 -0.06 2.79 1.02 -1.26 -0.18 119.74 126.62 1ws7 s LYS 101 Ca 0.04 -0.78 -0.11 0.00 0.02 0.00 0.00 55.97 55.13 1ws7 s LYS 101 Cb -0.14 -3.79 -0.05 0.00 -0.52 0.00 0.00 37.83 33.34 1ws7 s LYS 101 CO -0.12 -0.53 0.28 0.08 -0.92 0.00 0.00 175.35 174.14 1ws7 s VAL 102 N 1.67 5.27 0.00 3.17 1.01 0.91 -4.32 120.40 128.11 1ws7 s VAL 102 Ca 0.05 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.56 1ws7 s VAL 102 Cb -0.18 -3.56 0.00 0.00 0.00 0.00 0.00 36.38 32.64 1ws7 s VAL 102 CO 0.09 0.59 0.00 -0.67 0.00 0.00 0.00 175.10 175.11