#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ws7 n ALA 2 N 0.00 -3.14 -2.86 3.17 0.00 -1.26 -5.01 120.51 111.41 1ws7 n ALA 2 Ca 0.00 -0.50 -0.21 0.00 0.00 0.00 0.00 53.44 52.73 1ws7 n ALA 2 Cb 0.00 -1.61 -0.15 0.00 0.00 0.00 0.00 19.45 17.69 1ws7 n ALA 2 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1ws7 s THR 3 N -2.14 0.89 -0.28 0.00 2.01 -1.26 -5.00 115.64 109.85 1ws7 s THR 3 Ca 0.54 -0.44 -0.14 0.00 0.31 0.00 0.00 61.69 61.96 1ws7 s THR 3 Cb -0.26 -0.77 -0.04 0.00 0.01 0.00 0.00 72.50 71.45 1ws7 s THR 3 CO 0.69 0.26 0.32 -0.69 -0.69 0.00 0.00 174.62 174.52 1ws7 s VAL 4 N 0.00 5.21 -0.44 3.82 1.01 -1.26 -1.50 120.40 127.24 1ws7 s VAL 4 Ca -0.00 0.40 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 1ws7 s VAL 4 Cb -0.07 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.69 1ws7 s VAL 4 CO 0.00 0.16 0.38 -1.00 0.00 0.00 0.00 175.10 174.64 1ws7 s HIS 5 N 1.98 3.22 -0.61 5.22 0.09 0.12 -4.96 115.29 120.34 1ws7 s HIS 5 Ca 0.12 -0.68 -0.28 0.00 -0.00 0.00 0.00 55.06 54.22 1ws7 s HIS 5 Cb -0.16 -2.92 0.02 0.00 -0.00 0.00 0.00 32.58 29.52 1ws7 s HIS 5 CO 0.10 -0.72 1.31 0.21 -0.00 0.00 0.00 174.74 175.65 1ws7 s LYS 6 N 1.80 3.34 -0.17 1.40 2.20 -1.26 -1.22 119.74 125.83 1ws7 s LYS 6 Ca 0.06 0.22 -0.33 0.00 -0.36 0.00 0.00 55.97 55.56 1ws7 s LYS 6 Cb -0.21 -4.10 -0.10 0.00 -1.51 0.00 0.00 37.83 31.91 1ws7 s LYS 6 CO 0.09 -1.91 2.02 0.28 -0.36 0.00 0.00 175.35 175.47 1ws7 n VAL 7 N 6.69 0.46 -1.01 4.02 0.31 -0.60 -0.51 118.33 127.69 1ws7 n VAL 7 Ca 0.09 -0.21 -0.00 0.00 -0.01 0.00 0.00 64.34 64.20 1ws7 n VAL 7 Cb 0.49 -1.99 -0.00 0.00 -0.91 0.00 0.00 33.84 31.43 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 5.15 0.46 7.00 2.92 0.00 -1.26 -3.77 105.19 115.70 1ws7 n GLY 8 Ca 0.28 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 0.19 0.00 0.29 1.61 8.00 0.34 -1.47 116.55 125.50 1ws7 n ASP 9 Ca -0.00 0.00 0.15 0.00 0.71 0.00 0.00 54.79 55.65 1ws7 n ASP 9 Cb 0.06 0.00 0.86 0.00 -0.02 0.00 0.00 41.12 42.02 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 4.74 0.00 0.17 -2.24 4.64 -1.89 -1.88 113.55 117.09 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 0.06 -0.37 0.74 -0.87 0.00 0.00 176.83 176.38 1ws7 h THR 11 N 0.00 1.29 -0.22 2.95 2.02 -1.59 -3.48 112.91 113.88 1ws7 h THR 11 Ca -0.00 -1.45 0.00 0.00 0.77 0.00 0.00 66.41 65.73 1ws7 h THR 11 Cb 0.20 1.61 0.00 0.00 -1.74 0.00 0.00 68.15 68.22 1ws7 h THR 11 CO 0.01 0.44 0.00 0.61 0.37 0.00 0.00 175.52 176.94 1ws7 n GLY 12 N -0.24 -0.28 3.35 2.16 0.00 -0.71 -4.61 105.19 104.86 1ws7 n GLY 12 Ca -0.01 -1.04 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 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 3.27 0.34 1.61 -0.00 -0.28 -4.39 118.94 119.50 1ws7 s TRP 13 Ca 0.00 -1.10 -0.14 0.00 -0.00 0.00 0.00 56.10 54.86 1ws7 s TRP 13 Cb 0.00 -3.09 0.03 0.00 -0.00 0.00 0.00 33.47 30.41 1ws7 s TRP 13 CO 0.00 -0.81 0.68 -0.08 -0.00 0.00 0.00 176.95 176.74 1ws7 s THR 14 N 1.58 0.00 0.00 5.86 -1.32 -1.26 -4.60 115.64 115.90 1ws7 s THR 14 Ca 0.04 -1.17 0.00 0.00 -1.21 0.00 0.00 61.69 59.35 1ws7 s THR 14 Cb -0.24 -2.60 0.00 0.00 -1.51 0.00 0.00 72.50 68.16 1ws7 s THR 14 CO 0.05 0.00 0.34 0.35 -2.21 0.00 0.00 174.62 173.15 1ws7 n THR 15 N -0.51 0.02 -0.29 5.08 -2.24 -1.26 -4.75 114.28 110.33 1ws7 n THR 15 Ca -0.05 -0.33 0.14 0.00 -2.27 0.00 0.00 64.05 61.54 1ws7 n THR 15 Cb 0.60 1.34 0.39 0.00 -2.10 0.00 0.00 70.33 70.57 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 0.63 -8.35 3.22 -0.00 -2.00 -3.42 115.31 105.39 1ws7 h LEU 16 Ca 0.00 0.05 -0.19 0.00 -0.00 0.00 0.00 57.88 57.74 1ws7 h LEU 16 Cb 0.20 -0.07 -0.15 0.00 -0.00 0.00 0.00 40.66 40.64 1ws7 h LEU 16 CO 0.00 0.28 -0.69 0.68 -0.00 0.00 0.00 178.44 178.71 1ws7 s VAL 17 N -5.66 0.52 0.37 1.22 -7.23 -1.26 -5.12 120.40 103.24 1ws7 s VAL 17 Ca -0.10 -1.83 -0.27 0.00 -1.81 0.00 0.00 61.98 57.98 1ws7 s VAL 17 Cb 0.23 -1.54 -0.09 0.00 0.56 0.00 0.00 36.38 35.54 1ws7 s VAL 17 CO 0.79 -0.88 1.24 -2.84 -0.31 0.00 0.00 175.10 173.10 1ws7 s PRO 18 N -3.68 4.19 -0.10 4.82 0.02 -1.26 -5.00 135.00 133.99 1ws7 s PRO 18 Ca 0.08 2.04 -0.05 0.00 0.02 0.00 0.00 61.00 63.10 1ws7 s PRO 18 Cb 0.05 -2.88 0.05 0.00 0.02 0.00 0.00 34.50 31.74 1ws7 s PRO 18 CO -0.06 -0.27 0.22 -0.47 -0.33 0.00 0.00 177.00 176.09 1ws7 s TYR 19 N -1.26 -0.29 -1.08 6.54 5.04 -1.26 -5.09 117.35 119.95 1ws7 s TYR 19 Ca 0.53 0.72 -0.20 0.00 -2.44 0.00 0.00 57.07 55.68 1ws7 s TYR 19 Cb -0.36 -0.00 0.08 0.00 0.35 0.00 0.00 41.96 42.04 1ws7 s TYR 19 CO 0.46 -0.23 1.44 0.34 -1.34 0.00 0.00 175.55 176.23 1ws7 s ASP 20 N 1.37 6.66 0.36 4.32 -1.08 -1.26 -4.81 116.67 122.22 1ws7 s ASP 20 Ca -0.08 -1.95 0.10 0.00 -0.52 0.00 0.00 52.55 50.10 1ws7 s ASP 20 Cb -0.11 -2.52 0.69 0.00 -1.46 0.00 0.00 42.92 39.52 1ws7 s ASP 20 CO -0.08 -1.26 1.83 1.88 0.52 0.00 0.00 175.17 178.06 1ws7 h TYR 21 N 8.84 0.15 -0.47 -5.34 -1.99 -1.85 -1.31 116.97 115.00 1ws7 h TYR 21 Ca 0.26 -0.03 -0.02 0.00 2.00 0.00 0.00 58.73 60.94 1ws7 h TYR 21 Cb 0.97 -0.04 -0.02 0.00 2.00 0.00 0.00 36.73 39.64 1ws7 h TYR 21 CO 1.27 0.42 0.22 0.00 -0.00 0.00 0.00 178.16 180.08 1ws7 h ALA 22 N 1.58 0.60 -0.57 3.88 0.00 -1.87 0.48 119.26 123.36 1ws7 h ALA 22 Ca 0.02 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.74 1ws7 h ALA 22 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1ws7 h ALA 22 CO 0.04 0.17 0.08 -0.22 0.00 0.00 0.00 179.25 179.32 1ws7 h LYS 23 N 0.61 0.92 -0.24 0.00 3.64 -1.87 -1.52 116.57 118.11 1ws7 h LYS 23 Ca 0.16 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 1ws7 h LYS 23 Cb 0.13 -0.12 -0.01 0.00 -0.41 0.00 0.00 32.23 31.82 1ws7 h LYS 23 CO -0.02 0.87 0.11 2.35 -2.27 0.00 0.00 179.45 180.49 1ws7 h TRP 24 N 0.87 0.35 -1.01 1.91 7.01 -0.68 -1.98 115.95 122.42 1ws7 h TRP 24 Ca 0.18 -0.02 0.03 0.00 2.11 0.00 0.00 58.89 61.19 1ws7 h TRP 24 Cb 0.40 -0.11 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 1ws7 h TRP 24 CO 0.03 0.34 0.66 0.00 -2.79 0.00 0.00 178.44 176.67 1ws7 h ALA 25 N 0.97 1.33 0.00 2.65 0.00 -0.60 -1.37 119.26 122.25 1ws7 h ALA 25 Ca 0.08 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 1ws7 h ALA 25 Cb 0.12 -0.37 -0.00 0.00 0.00 0.00 0.00 17.79 17.54 1ws7 h ALA 25 CO -0.01 0.58 -0.16 0.77 0.00 0.00 0.00 179.25 180.43 1ws7 h SER 26 N 1.29 0.00 -0.05 0.00 0.02 -0.91 -1.16 113.55 112.73 1ws7 h SER 26 Ca 0.39 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.34 1ws7 h SER 26 Cb -0.03 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.51 1ws7 h SER 26 CO -0.12 0.16 0.00 -1.54 -1.14 0.00 0.00 176.83 174.19 1ws7 n SER 27 N -3.62 0.52 -4.42 3.07 3.41 -0.52 -4.82 113.62 107.24 1ws7 n SER 27 Ca -0.01 -1.54 -0.24 0.00 -0.26 0.00 0.00 58.87 56.82 1ws7 n SER 27 Cb 0.29 -0.03 -0.11 0.00 -0.26 0.00 0.00 64.21 64.09 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 -1.54 3.27 -0.25 4.04 0.01 -0.44 -5.09 114.94 114.93 1ws7 s ASN 28 Ca 0.28 -0.95 0.02 0.00 -0.71 0.00 0.00 52.86 51.50 1ws7 s ASN 28 Cb 0.14 -0.24 0.06 0.00 0.41 0.00 0.00 41.25 41.62 1ws7 s ASN 28 CO 0.22 0.03 -0.08 -0.75 -1.51 0.00 0.00 177.10 175.01 1ws7 s LYS 29 N -3.12 1.95 -0.22 -0.60 2.20 -1.26 -4.98 119.74 113.71 1ws7 s LYS 29 Ca 0.24 -1.23 -0.15 0.00 -0.36 0.00 0.00 55.97 54.47 1ws7 s LYS 29 Cb -0.06 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.45 1ws7 s LYS 29 CO 0.11 -0.60 0.36 -0.06 -0.36 0.00 0.00 175.35 174.80 1ws7 s PHE 30 N 1.21 3.34 0.07 4.03 0.40 -1.26 -5.05 117.98 120.73 1ws7 s PHE 30 Ca -0.07 0.52 0.07 0.00 -0.60 0.00 0.00 56.93 56.86 1ws7 s PHE 30 Cb -0.19 -2.50 -0.03 0.00 0.51 0.00 0.00 43.02 40.81 1ws7 s PHE 30 CO -0.06 -0.04 -0.19 -1.01 0.70 0.00 0.00 175.22 174.62 1ws7 s HIS 31 N 1.41 1.65 0.27 0.36 3.76 -1.26 0.01 115.29 121.49 1ws7 s HIS 31 Ca 0.17 -0.40 -0.29 0.00 -0.15 0.00 0.00 55.06 54.38 1ws7 s HIS 31 Cb -0.15 -0.94 -0.14 0.00 1.11 0.00 0.00 32.58 32.46 1ws7 s HIS 31 CO 0.08 0.13 1.09 0.28 -0.85 0.00 0.00 174.74 175.47 1ws7 n VAL 32 N 1.42 1.73 0.00 -0.90 0.31 -1.26 -1.15 118.33 118.47 1ws7 n VAL 32 Ca -0.19 -0.43 0.00 0.00 -0.01 0.00 0.00 64.34 63.71 1ws7 n VAL 32 Cb 0.54 -1.05 0.00 0.00 -0.91 0.00 0.00 33.84 32.42 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 1.40 3.36 3.02 2.92 0.00 0.13 -5.00 105.19 111.01 1ws7 n GLY 33 Ca 0.10 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.88 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 -0.80 -3.77 1.61 8.00 -0.30 -4.53 116.55 116.76 1ws7 n ASP 34 Ca 0.00 -1.24 -0.09 0.00 0.71 0.00 0.00 54.79 54.17 1ws7 n ASP 34 Cb 0.00 -0.83 -0.06 0.00 -0.02 0.00 0.00 41.12 40.21 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 -4.50 -0.03 -0.05 -2.24 1.04 -0.56 -1.33 113.70 106.03 1ws7 s SER 35 Ca 0.60 -0.53 0.02 0.00 0.48 0.00 0.00 55.95 56.52 1ws7 s SER 35 Cb -0.03 0.40 -0.03 0.00 0.10 0.00 0.00 66.02 66.46 1ws7 s SER 35 CO 0.44 -0.79 -0.09 -0.76 0.98 0.00 0.00 173.24 173.02 1ws7 s LEU 36 N -2.84 3.04 -0.23 2.42 1.43 0.13 -0.71 118.68 121.92 1ws7 s LEU 36 Ca 0.05 -0.09 0.02 0.00 -1.03 0.00 0.00 54.13 53.08 1ws7 s LEU 36 Cb 0.04 -1.66 0.05 0.00 0.03 0.00 0.00 46.19 44.65 1ws7 s LEU 36 CO -0.11 0.35 -0.11 -0.22 0.23 0.00 0.00 176.35 176.50 1ws7 s LEU 37 N -0.85 2.86 -0.41 1.79 2.96 -0.36 -0.20 118.68 124.47 1ws7 s LEU 37 Ca 0.13 -1.16 -0.15 0.00 -0.22 0.00 0.00 54.13 52.73 1ws7 s LEU 37 Cb -0.11 -1.39 0.02 0.00 0.50 0.00 0.00 46.19 45.21 1ws7 s LEU 37 CO 0.02 -0.17 0.30 -0.36 -1.32 0.00 0.00 176.35 174.82 1ws7 s PHE 38 N 1.25 3.24 -0.19 5.38 0.40 -0.16 -1.55 117.98 126.35 1ws7 s PHE 38 Ca -0.05 -0.62 -0.08 0.00 -0.60 0.00 0.00 56.93 55.58 1ws7 s PHE 38 Cb -0.18 -2.60 -0.04 0.00 0.51 0.00 0.00 43.02 40.70 1ws7 s PHE 38 CO -0.07 -0.60 0.08 -0.80 0.70 0.00 0.00 175.22 174.53 1ws7 s ASN 39 N 1.71 5.74 0.09 1.36 0.02 -1.26 -1.77 114.94 120.83 1ws7 s ASN 39 Ca 0.05 0.11 -0.27 0.00 -1.02 0.00 0.00 52.86 51.73 1ws7 s ASN 39 Cb -0.19 -1.99 0.08 0.00 0.02 0.00 0.00 41.25 39.17 1ws7 s ASN 39 CO 0.10 0.17 1.02 -0.72 0.02 0.00 0.00 177.10 177.69 1ws7 s TYR 40 N 0.40 -0.14 -0.65 2.20 -0.85 -0.24 -1.12 117.35 116.95 1ws7 s TYR 40 Ca 0.04 -0.10 -0.28 0.00 -0.52 0.00 0.00 57.07 56.21 1ws7 s TYR 40 Cb -0.12 0.61 0.03 0.00 0.38 0.00 0.00 41.96 42.85 1ws7 s TYR 40 CO -0.00 -0.67 1.30 1.21 -1.52 0.00 0.00 175.55 175.87 1ws7 s ASN 41 N -2.87 6.21 0.00 -0.18 3.84 -1.26 -4.52 114.94 116.16 1ws7 s ASN 41 Ca 0.12 -0.11 0.12 0.00 0.21 0.00 0.00 52.86 53.19 1ws7 s ASN 41 Cb -0.00 -2.55 0.72 0.00 -0.55 0.00 0.00 41.25 38.86 1ws7 s ASN 41 CO -0.00 -1.72 1.14 -0.46 -2.79 0.00 0.00 177.10 173.26 1ws7 n ASN 42 N 9.24 0.00 0.09 -4.21 2.04 -1.26 -1.76 115.26 119.40 1ws7 n ASN 42 Ca 0.07 -0.49 0.01 0.00 -0.44 0.00 0.00 54.58 53.74 1ws7 n ASN 42 Cb 0.49 0.00 -0.02 0.00 -2.53 0.00 0.00 39.78 37.72 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 -0.00 -3.83 3.64 -1.92 -3.38 116.57 111.07 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 0.41 -0.03 1.19 -2.27 0.00 0.00 179.45 178.75 1ws7 n PHE 44 N -3.07 0.00 -4.15 1.91 0.99 -0.72 -5.06 117.46 107.35 1ws7 n PHE 44 Ca -0.03 0.00 -0.12 0.00 -0.00 0.00 0.00 57.45 57.30 1ws7 n PHE 44 Cb 0.78 0.00 -0.09 0.00 -1.00 0.00 0.00 39.48 39.17 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 -0.51 1.00 0.27 1.38 3.76 -1.08 -4.90 115.29 115.22 1ws7 s HIS 45 Ca 0.03 -1.24 -0.13 0.00 -0.15 0.00 0.00 55.06 53.57 1ws7 s HIS 45 Cb 0.03 -0.37 0.01 0.00 1.11 0.00 0.00 32.58 33.35 1ws7 s HIS 45 CO 0.06 -0.76 0.54 0.54 -0.85 0.00 0.00 174.74 174.28 1ws7 s ASN 46 N -3.14 -0.01 -0.14 1.40 6.03 -1.26 -4.63 114.94 113.18 1ws7 s ASN 46 Ca 0.35 -0.95 0.00 0.00 -1.03 0.00 0.00 52.86 51.23 1ws7 s ASN 46 Cb 0.05 0.64 0.03 0.00 -3.03 0.00 0.00 41.25 38.93 1ws7 s ASN 46 CO 0.13 -1.24 -0.11 -0.69 -2.03 0.00 0.00 177.10 173.16 1ws7 s VAL 47 N -3.76 1.39 -0.07 3.54 1.01 -0.47 -4.14 120.40 117.90 1ws7 s VAL 47 Ca 0.21 -0.57 0.05 0.00 0.00 0.00 0.00 61.98 61.67 1ws7 s VAL 47 Cb -0.02 -1.36 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1ws7 s VAL 47 CO 0.10 0.38 -0.22 -0.76 0.00 0.00 0.00 175.10 174.60 1ws7 s LEU 48 N 1.55 2.22 -0.15 3.92 1.43 0.01 0.02 118.68 127.69 1ws7 s LEU 48 Ca 0.04 -0.46 -0.16 0.00 -1.03 0.00 0.00 54.13 52.52 1ws7 s LEU 48 Cb -0.13 -1.42 -0.04 0.00 0.03 0.00 0.00 46.19 44.62 1ws7 s LEU 48 CO -0.10 0.24 0.38 -1.58 0.23 0.00 0.00 176.35 175.53 1ws7 s GLN 49 N -0.13 4.29 0.35 1.70 0.74 -0.46 -1.26 119.66 124.90 1ws7 s GLN 49 Ca -0.04 0.26 0.04 0.00 0.05 0.00 0.00 55.36 55.67 1ws7 s GLN 49 Cb -0.14 -3.44 -0.03 0.00 1.10 0.00 0.00 33.01 30.50 1ws7 s GLN 49 CO 0.04 0.18 0.16 0.14 -0.55 0.00 0.00 175.29 175.26 1ws7 s VAL 50 N 0.61 0.41 0.62 1.34 -7.23 -0.34 -0.51 120.40 115.30 1ws7 s VAL 50 Ca 0.21 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.38 1ws7 s VAL 50 Cb -0.14 -2.46 0.07 0.00 0.56 0.00 0.00 36.38 34.42 1ws7 s VAL 50 CO 0.07 0.00 0.87 1.51 -0.31 0.00 0.00 175.10 177.23 1ws7 s ASP 51 N -3.47 4.90 0.19 4.85 1.47 -1.26 -3.88 116.67 119.46 1ws7 s ASP 51 Ca 0.32 -0.17 -0.14 0.00 1.18 0.00 0.00 52.55 53.74 1ws7 s ASP 51 Cb 0.04 -0.50 0.18 0.00 -0.34 0.00 0.00 42.92 42.29 1ws7 s ASP 51 CO 0.18 -1.44 1.69 -0.61 0.68 0.00 0.00 175.17 175.67 1ws7 h GLN 52 N -0.17 0.11 -0.24 2.11 4.15 -1.96 -0.09 115.11 119.01 1ws7 h GLN 52 Ca -0.39 -0.01 0.04 0.00 0.77 0.00 0.00 58.65 59.06 1ws7 h GLN 52 Cb 1.29 -0.03 -0.04 0.00 0.21 0.00 0.00 27.48 28.91 1ws7 h GLN 52 CO 0.47 0.08 0.00 0.93 -1.93 0.00 0.00 178.83 178.38 1ws7 h GLU 53 N 0.12 0.08 -0.44 1.69 5.08 -2.00 -1.05 114.58 118.06 1ws7 h GLU 53 Ca 0.25 -0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.51 1ws7 h GLU 53 Cb 0.37 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.58 1ws7 h GLU 53 CO -0.41 0.05 -0.10 1.96 -1.00 0.00 0.00 179.01 179.52 1ws7 h GLN 54 N 0.08 0.78 -0.10 2.33 4.20 -1.76 -2.53 115.11 118.11 1ws7 h GLN 54 Ca 0.11 -0.25 0.00 0.00 0.06 0.00 0.00 58.65 58.57 1ws7 h GLN 54 Cb 0.14 -0.07 -0.00 0.00 0.30 0.00 0.00 27.48 27.85 1ws7 h GLN 54 CO -0.19 0.85 0.06 0.35 -0.67 0.00 0.00 178.83 179.23 1ws7 h PHE 55 N 0.71 0.12 -0.51 2.96 3.57 -0.54 0.35 116.94 123.60 1ws7 h PHE 55 Ca 0.12 0.00 0.01 0.00 3.53 0.00 0.00 57.97 61.63 1ws7 h PHE 55 Cb 0.57 -0.04 -0.03 0.00 2.79 0.00 0.00 35.95 39.24 1ws7 h PHE 55 CO 0.03 0.08 0.33 -0.22 -2.23 0.00 0.00 178.31 176.30 1ws7 h LYS 56 N 0.13 0.66 -0.01 1.11 3.64 -1.07 -2.56 116.57 118.46 1ws7 h LYS 56 Ca 0.04 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ws7 h LYS 56 Cb -0.01 -0.15 0.00 0.00 -0.41 0.00 0.00 32.23 31.66 1ws7 h LYS 56 CO -0.01 0.44 -0.04 -1.13 -2.27 0.00 0.00 179.45 176.44 1ws7 n SER 57 N -4.74 1.04 -3.37 4.20 3.41 -0.96 -4.92 113.62 108.27 1ws7 n SER 57 Ca 0.03 -1.24 -0.23 0.00 -0.26 0.00 0.00 58.87 57.16 1ws7 n SER 57 Cb 0.02 0.01 0.07 0.00 -0.26 0.00 0.00 64.21 64.05 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 -3.17 6.49 -0.20 0.00 2.47 0.83 -4.93 114.94 116.43 1ws7 s ASN 59 Ca 0.51 0.38 0.15 0.00 0.42 0.00 0.00 52.86 54.32 1ws7 s ASN 59 Cb -0.22 -2.33 0.52 0.00 -1.45 0.00 0.00 41.25 37.77 1ws7 s ASN 59 CO 0.63 -0.50 1.43 -1.54 -3.72 0.00 0.00 177.10 173.40 1ws7 n SER 60 N 5.92 3.59 0.14 -4.21 3.41 -1.26 -4.66 113.62 116.55 1ws7 n SER 60 Ca -0.01 -3.17 0.02 0.00 -0.26 0.00 0.00 58.87 55.45 1ws7 n SER 60 Cb 0.49 -0.56 0.09 0.00 -0.26 0.00 0.00 64.21 63.97 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 1.59 0.00 -2.03 4.04 0.02 -1.97 -3.39 113.55 111.80 1ws7 h SER 61 Ca 0.05 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.45 1ws7 h SER 61 Cb 1.50 0.00 -0.40 0.00 0.14 0.00 0.00 62.40 63.64 1ws7 h SER 61 CO 0.26 0.52 -1.05 -0.24 -1.14 0.00 0.00 176.83 175.19 1ws7 n SER 62 N -3.32 0.92 -4.77 3.07 2.88 -1.26 -5.12 113.62 106.03 1ws7 n SER 62 Ca 0.01 -2.89 -0.36 0.00 -1.33 0.00 0.00 58.87 54.30 1ws7 n SER 62 Cb 0.70 -0.64 0.01 0.00 -0.75 0.00 0.00 64.21 63.53 1ws7 n SER 62 CO 0.00 0.00 0.00 -2.16 -1.23 0.00 0.00 175.04 171.65 1ws7 s PRO 63 N -1.69 3.35 0.18 -1.46 0.04 -1.26 -4.91 135.00 129.24 1ws7 s PRO 63 Ca 0.37 1.77 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1ws7 s PRO 63 Cb 0.21 -2.12 0.03 0.00 0.04 0.00 0.00 34.50 32.67 1ws7 s PRO 63 CO -0.09 -0.89 1.41 0.00 0.04 0.00 0.00 177.00 177.47 1ws7 h ALA 64 N 1.38 0.57 -2.03 8.56 0.00 -1.18 -3.46 119.26 123.10 1ws7 h ALA 64 Ca -0.50 -0.70 -0.05 0.00 0.00 0.00 0.00 54.91 53.66 1ws7 h ALA 64 Cb 1.27 -0.08 -0.20 0.00 0.00 0.00 0.00 17.79 18.78 1ws7 h ALA 64 CO 0.57 0.89 0.14 0.00 0.00 0.00 0.00 179.25 180.85 1ws7 s ALA 65 N -3.29 -1.73 -0.14 0.00 0.00 -1.23 -4.99 121.76 110.38 1ws7 s ALA 65 Ca -0.03 1.61 0.01 0.00 0.00 0.00 0.00 51.96 53.55 1ws7 s ALA 65 Cb 0.10 -0.55 0.02 0.00 0.00 0.00 0.00 23.12 22.69 1ws7 s ALA 65 CO 0.82 -0.35 -0.17 0.45 0.00 0.00 0.00 175.76 176.52 1ws7 s SER 66 N -0.45 2.77 -0.08 0.00 0.15 -1.26 -1.35 113.70 113.48 1ws7 s SER 66 Ca -0.06 -0.52 0.01 0.00 0.70 0.00 0.00 55.95 56.08 1ws7 s SER 66 Cb -0.02 -1.25 -0.03 0.00 -1.71 0.00 0.00 66.02 63.01 1ws7 s SER 66 CO 0.06 -0.01 -0.09 -0.31 1.20 0.00 0.00 173.24 174.09 1ws7 s TYR 67 N 1.22 2.88 0.00 3.44 1.51 0.10 -4.99 117.35 121.51 1ws7 s TYR 67 Ca 0.00 -0.10 0.07 0.00 -1.01 0.00 0.00 57.07 56.03 1ws7 s TYR 67 Cb -0.14 -1.73 0.11 0.00 -0.11 0.00 0.00 41.96 40.09 1ws7 s TYR 67 CO -0.07 0.22 1.03 0.25 -1.11 0.00 0.00 175.55 175.87 1ws7 n THR 68 N 2.47 0.00 0.20 -0.71 -2.24 -1.26 -1.36 114.28 111.37 1ws7 n THR 68 Ca -0.18 -0.25 0.09 0.00 -2.27 0.00 0.00 64.05 61.44 1ws7 n THR 68 Cb 0.53 0.62 0.15 0.00 -2.10 0.00 0.00 70.33 69.52 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 0.25 0.00 0.00 3.42 4.64 -1.95 -3.46 113.55 116.45 1ws7 h SER 69 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1ws7 h SER 69 Cb 1.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.61 1ws7 h SER 69 CO 0.02 0.16 0.00 0.61 -0.87 0.00 0.00 176.83 176.76 1ws7 n GLY 70 N 1.09 1.48 2.54 -0.77 0.00 -1.26 -4.81 105.19 103.46 1ws7 n GLY 70 Ca 0.03 0.00 -0.12 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 -0.99 0.88 -2.36 4.61 0.00 -1.16 -1.08 120.51 120.41 1ws7 n ALA 71 Ca 0.00 -2.25 -0.42 0.00 0.00 0.00 0.00 53.44 50.76 1ws7 n ALA 71 Cb 0.00 -1.04 -0.03 0.00 0.00 0.00 0.00 19.45 18.39 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 -1.84 6.97 -0.43 0.00 -0.00 -0.73 -4.82 116.67 115.81 1ws7 s ASP 72 Ca 0.28 1.94 -0.10 0.00 -0.00 0.00 0.00 52.55 54.67 1ws7 s ASP 72 Cb 0.34 -2.56 0.08 0.00 -0.00 0.00 0.00 42.92 40.79 1ws7 s ASP 72 CO -0.06 -0.64 0.29 -0.55 -0.00 0.00 0.00 175.17 174.22 1ws7 s SER 73 N 1.65 5.74 -0.24 0.27 0.15 -1.26 -0.99 113.70 119.03 1ws7 s SER 73 Ca 0.59 -1.50 -0.07 0.00 0.70 0.00 0.00 55.95 55.68 1ws7 s SER 73 Cb -0.27 -2.03 -0.03 0.00 -1.71 0.00 0.00 66.02 61.98 1ws7 s SER 73 CO 0.24 -0.57 0.06 -0.63 1.20 0.00 0.00 173.24 173.54 1ws7 s ILE 74 N 1.46 4.30 0.51 6.45 1.01 0.73 -4.91 121.20 130.74 1ws7 s ILE 74 Ca 0.03 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.30 1ws7 s ILE 74 Cb -0.23 -2.99 -0.07 0.00 0.01 0.00 0.00 42.46 39.17 1ws7 s ILE 74 CO 0.03 0.36 1.07 -2.16 0.00 0.00 0.00 174.94 174.24 1ws7 s PRO 75 N 1.42 3.62 -0.63 2.79 0.04 -1.26 0.18 135.00 141.16 1ws7 s PRO 75 Ca 0.05 1.46 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1ws7 s PRO 75 Cb -0.15 -2.06 0.15 0.00 0.04 0.00 0.00 34.50 32.49 1ws7 s PRO 75 CO 0.03 -0.60 0.39 -0.51 0.04 0.00 0.00 177.00 176.36 1ws7 s LEU 76 N -3.62 4.62 0.00 -3.56 1.43 -0.44 -4.88 118.68 112.23 1ws7 s LEU 76 Ca 0.69 -3.49 0.24 0.00 -1.03 0.00 0.00 54.13 50.54 1ws7 s LEU 76 Cb -0.19 -1.64 0.34 0.00 0.03 0.00 0.00 46.19 44.72 1ws7 s LEU 76 CO 0.23 -0.15 1.35 0.29 0.23 0.00 0.00 176.35 178.30 1ws7 n LYS 77 N 2.47 2.45 -3.86 1.70 5.02 -1.26 0.18 118.16 124.85 1ws7 n LYS 77 Ca 0.13 -2.15 -0.12 0.00 -2.02 0.00 0.00 58.31 54.15 1ws7 n LYS 77 Cb 0.34 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.71 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 -1.70 0.01 0.68 1.97 0.52 -1.26 -4.83 118.95 114.33 1ws7 s ARG 78 Ca 0.35 0.02 -0.13 0.00 -0.52 0.00 0.00 55.73 55.45 1ws7 s ARG 78 Cb 0.22 -0.01 0.00 0.00 0.52 0.00 0.00 34.95 35.69 1ws7 s ARG 78 CO 0.31 -0.01 1.07 -1.25 0.02 0.00 0.00 175.30 175.45 1ws7 s PRO 79 N 0.05 2.89 0.00 3.54 0.04 -1.26 -4.80 135.00 135.45 1ws7 s PRO 79 Ca -0.00 1.13 0.00 0.00 0.04 0.00 0.00 61.00 62.16 1ws7 s PRO 79 Cb -0.01 -1.98 0.00 0.00 0.04 0.00 0.00 34.50 32.56 1ws7 s PRO 79 CO -0.00 -1.15 0.00 0.41 0.04 0.00 0.00 177.00 176.30 1ws7 n GLY 80 N -1.34 0.64 3.41 0.56 0.00 -0.41 -4.94 105.19 103.11 1ws7 n GLY 80 Ca 0.09 -2.10 -0.33 0.00 0.00 0.00 0.00 46.02 43.67 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 -1.09 3.32 0.14 2.61 2.01 -1.26 0.34 115.64 121.71 1ws7 s THR 81 Ca 0.00 -0.57 0.08 0.00 0.31 0.00 0.00 61.69 61.52 1ws7 s THR 81 Cb 0.00 -2.41 -0.04 0.00 0.01 0.00 0.00 72.50 70.06 1ws7 s THR 81 CO 0.00 0.52 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.90 1ws7 s PHE 82 N 0.33 1.77 -0.03 4.92 0.40 0.88 -4.97 117.98 121.28 1ws7 s PHE 82 Ca -0.08 -0.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.84 1ws7 s PHE 82 Cb -0.15 -0.92 -0.01 0.00 0.51 0.00 0.00 43.02 42.45 1ws7 s PHE 82 CO 0.05 0.27 -0.19 0.71 0.70 0.00 0.00 175.22 176.75 1ws7 s TYR 83 N -1.70 1.80 0.02 0.36 1.51 -1.25 -0.22 117.35 117.87 1ws7 s TYR 83 Ca 0.11 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.77 1ws7 s TYR 83 Cb -0.07 -1.18 -0.02 0.00 -0.11 0.00 0.00 41.96 40.58 1ws7 s TYR 83 CO 0.05 -0.11 -0.09 -0.06 -1.11 0.00 0.00 175.55 174.23 1ws7 s PHE 84 N -0.22 0.82 0.17 2.71 0.40 -0.71 -1.20 117.98 119.95 1ws7 s PHE 84 Ca 0.02 -0.29 -0.17 0.00 -0.60 0.00 0.00 56.93 55.89 1ws7 s PHE 84 Cb -0.10 -0.50 0.03 0.00 0.51 0.00 0.00 43.02 42.96 1ws7 s PHE 84 CO 0.01 -0.02 0.47 -0.48 0.70 0.00 0.00 175.22 175.91 1ws7 s LEU 85 N -0.83 0.20 -0.13 -0.37 0.05 -0.39 -0.55 118.68 116.66 1ws7 s LEU 85 Ca -0.01 -0.42 -0.17 0.00 0.05 0.00 0.00 54.13 53.58 1ws7 s LEU 85 Cb -0.06 2.01 -0.04 0.00 -2.05 0.00 0.00 46.19 46.05 1ws7 s LEU 85 CO 0.00 -0.97 0.42 0.00 -0.55 0.00 0.00 176.35 175.25 1ws7 n GLY 87 N 3.28 -1.12 3.71 0.00 0.00 -1.26 -3.66 105.19 106.14 1ws7 n GLY 87 Ca -0.09 -0.23 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 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 -1.16 0.47 -1.31 -0.61 2.08 -1.26 -4.76 119.36 112.81 1ws7 n ILE 88 Ca 0.12 -0.12 -0.56 0.00 0.56 0.00 0.00 62.75 62.76 1ws7 n ILE 88 Cb 0.29 -1.83 -0.10 0.00 -0.75 0.00 0.00 39.64 37.25 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 3.01 0.00 0.00 0.38 -0.02 -1.26 -1.06 135.00 136.04 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 0.34 -1.30 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 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 4.95 2.74 0.26 -1.23 0.00 -1.26 -4.89 105.19 105.77 1ws7 n GLY 90 Ca 0.37 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.30 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 -0.90 1.61 3.86 -1.37 -2.04 115.15 117.26 1ws7 h HIS 91 Ca 0.00 -0.12 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 1ws7 h HIS 91 Cb 0.00 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.16 1ws7 h HIS 91 CO 0.00 0.83 0.53 0.00 0.86 0.00 0.00 177.93 180.15 1ws7 h GLN 93 N 1.24 0.00 -0.00 0.00 7.50 -1.83 -1.16 115.11 120.86 1ws7 h GLN 93 Ca 0.32 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.47 1ws7 h GLN 93 Cb -0.04 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.49 1ws7 h GLN 93 CO -0.06 0.18 -0.01 1.28 -1.50 0.00 0.00 178.83 178.73 1ws7 n LEU 94 N -3.62 0.19 0.00 1.46 4.77 -0.40 -4.87 117.00 114.53 1ws7 n LEU 94 Ca -0.01 -0.02 0.00 0.00 -0.03 0.00 0.00 56.01 55.94 1ws7 n LEU 94 Cb 0.32 -0.04 0.00 0.00 -2.33 0.00 0.00 43.42 41.36 1ws7 n LEU 94 CO 0.32 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.02 1ws7 n GLY 95 N 1.07 0.77 3.34 -0.72 0.00 -0.44 -4.90 105.19 104.31 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 -0.95 3.12 -3.53 1.61 7.27 -0.85 -4.75 117.38 119.29 1ws7 n GLN 96 Ca 0.00 -3.13 -0.16 0.00 0.07 0.00 0.00 57.00 53.78 1ws7 n GLN 96 Cb 0.00 -3.42 -0.05 0.00 2.41 0.00 0.00 30.24 29.18 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 3.81 1.06 -0.16 3.69 -2.85 -1.26 -2.28 119.74 121.74 1ws7 s LYS 97 Ca 0.52 0.03 -0.11 0.00 -1.00 0.00 0.00 55.97 55.41 1ws7 s LYS 97 Cb 0.06 0.49 0.05 0.00 -2.06 0.00 0.00 37.83 36.38 1ws7 s LYS 97 CO 0.03 -0.36 0.39 0.54 0.10 0.00 0.00 175.35 176.05 1ws7 s VAL 98 N -1.80 -0.02 -0.17 1.79 0.11 0.28 -4.65 120.40 115.94 1ws7 s VAL 98 Ca -0.08 0.06 -0.14 0.00 -2.93 0.00 0.00 61.98 58.89 1ws7 s VAL 98 Cb -0.01 -0.57 -0.05 0.00 -1.53 0.00 0.00 36.38 34.23 1ws7 s VAL 98 CO 0.04 0.03 0.28 -0.70 -3.33 0.00 0.00 175.10 171.42 1ws7 s GLU 99 N 0.94 4.24 -0.22 1.54 2.12 -1.26 -1.74 118.70 124.31 1ws7 s GLU 99 Ca -0.06 0.06 0.02 0.00 0.36 0.00 0.00 54.97 55.35 1ws7 s GLU 99 Cb -0.06 -3.44 0.04 0.00 0.26 0.00 0.00 34.13 30.92 1ws7 s GLU 99 CO -0.07 0.20 -0.14 0.42 -0.54 0.00 0.00 175.26 175.13 1ws7 s ILE 100 N 0.58 2.02 -0.36 -3.70 -1.09 0.70 -4.91 121.20 114.43 1ws7 s ILE 100 Ca 0.16 -1.23 -0.13 0.00 -2.23 0.00 0.00 60.65 57.21 1ws7 s ILE 100 Cb -0.13 -2.00 -0.00 0.00 -1.58 0.00 0.00 42.46 38.75 1ws7 s ILE 100 CO 0.04 0.24 0.25 -0.54 -1.23 0.00 0.00 174.94 173.70 1ws7 s LYS 101 N 1.24 3.26 -0.28 2.79 1.02 -1.26 -0.08 119.74 126.42 1ws7 s LYS 101 Ca -0.02 -0.81 -0.15 0.00 0.02 0.00 0.00 55.97 55.02 1ws7 s LYS 101 Cb -0.16 -3.84 -0.04 0.00 -0.52 0.00 0.00 37.83 33.27 1ws7 s LYS 101 CO -0.09 -0.56 0.36 0.08 -0.92 0.00 0.00 175.35 174.22 1ws7 s VAL 102 N 1.69 5.18 0.00 3.17 1.01 0.15 -4.35 120.40 127.25 1ws7 s VAL 102 Ca 0.05 0.50 0.00 0.00 0.00 0.00 0.00 61.98 62.53 1ws7 s VAL 102 Cb -0.18 -3.70 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1ws7 s VAL 102 CO 0.10 0.14 0.00 0.47 0.00 0.00 0.00 175.10 175.81