#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1wvz n ASN 5 N 0.00 0.00 -4.53 1.20 3.02 -1.26 -5.07 115.26 108.62 1wvz n ASN 5 Ca 0.00 0.00 -0.33 0.00 -0.03 0.00 0.00 54.58 54.22 1wvz n ASN 5 Cb 0.00 0.00 -0.12 0.00 -0.61 0.00 0.00 39.78 39.05 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wvz s LYS 6 N 1.26 2.82 -0.18 3.52 3.01 -1.26 -3.80 119.74 125.11 1wvz s LYS 6 Ca 0.00 -0.60 -0.07 0.00 -1.01 0.00 0.00 55.97 54.29 1wvz s LYS 6 Cb 0.00 -2.56 0.08 0.00 -1.01 0.00 0.00 37.83 34.34 1wvz s LYS 6 CO 0.00 0.58 0.39 1.03 0.51 0.00 0.00 175.35 177.85 1wvz s ARG 7 N -0.58 0.29 -0.43 1.68 3.00 -1.26 -4.56 118.95 117.08 1wvz s ARG 7 Ca 0.09 0.97 -0.41 0.00 0.00 0.00 0.00 55.73 56.38 1wvz s ARG 7 Cb -0.12 0.25 -0.16 0.00 0.00 0.00 0.00 34.95 34.92 1wvz s ARG 7 CO 0.02 -0.25 2.13 0.00 0.00 0.00 0.00 175.30 177.19 1wvz n ALA 8 N 5.35 0.49 -1.94 2.13 0.00 -1.26 -2.78 120.51 122.49 1wvz n ALA 8 Ca -0.08 0.11 -0.41 0.00 0.00 0.00 0.00 53.44 53.05 1wvz n ALA 8 Cb 0.50 -2.26 -0.03 0.00 0.00 0.00 0.00 19.45 17.66 1wvz n ALA 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wvz s PRO 9 N 5.90 4.32 0.29 0.00 0.02 -1.26 -4.83 135.00 139.44 1wvz s PRO 9 Ca 1.15 2.19 -0.22 0.00 0.02 0.00 0.00 61.00 64.14 1wvz s PRO 9 Cb -1.24 -3.15 -0.09 0.00 0.02 0.00 0.00 34.50 30.04 1wvz s PRO 9 CO 0.60 -0.35 0.83 1.52 -0.33 0.00 0.00 177.00 179.26 1wvz s TYR 10 N 0.11 3.60 -0.12 6.54 -0.85 0.30 -4.69 117.35 122.24 1wvz s TYR 10 Ca 0.59 1.53 -0.38 0.00 -0.52 0.00 0.00 57.07 58.30 1wvz s TYR 10 Cb -0.39 -2.74 -0.15 0.00 0.38 0.00 0.00 41.96 39.05 1wvz s TYR 10 CO 0.40 0.22 1.68 0.91 -1.52 0.00 0.00 175.55 177.24 1wvz n TRP 11 N 0.40 2.03 0.00 -3.49 8.01 -1.26 -1.23 117.44 121.89 1wvz n TRP 11 Ca 0.01 0.41 0.00 0.00 -1.31 0.00 0.00 57.50 56.61 1wvz n TRP 11 Cb 0.51 -2.49 0.00 0.00 -2.01 0.00 0.00 31.31 27.32 1wvz n TRP 11 CO 0.00 0.00 0.00 2.41 -1.01 0.00 0.00 177.69 179.09 1wvz n THR 12 N 4.19 0.00 -3.19 -0.99 -1.04 -1.07 -4.80 114.28 107.38 1wvz n THR 12 Ca 0.23 0.00 -0.39 0.00 -2.04 0.00 0.00 64.05 61.85 1wvz n THR 12 Cb 0.19 -0.70 -0.05 0.00 -1.82 0.00 0.00 70.33 67.95 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 1wvz s ASN 13 N -1.00 6.82 0.17 8.00 0.01 -1.25 -5.02 114.94 122.67 1wvz s ASN 13 Ca 0.00 0.99 -0.31 0.00 -0.71 0.00 0.00 52.86 52.82 1wvz s ASN 13 Cb 0.00 -2.34 -0.10 0.00 0.41 0.00 0.00 41.25 39.21 1wvz s ASN 13 CO 0.00 -0.06 1.55 0.42 -1.51 0.00 0.00 177.10 177.51 1wvz s THR 14 N 0.72 2.62 -0.65 1.60 -4.23 -1.26 -4.68 115.64 109.76 1wvz s THR 14 Ca 0.31 0.45 0.26 0.00 -1.18 0.00 0.00 61.69 61.53 1wvz s THR 14 Cb -0.16 -3.29 0.28 0.00 1.34 0.00 0.00 72.50 70.67 1wvz s THR 14 CO 0.14 0.04 1.76 -0.62 -0.54 0.00 0.00 174.62 175.40 1wvz n GLU 15 N 3.78 0.26 0.25 3.99 4.71 -1.26 -2.54 120.64 129.82 1wvz n GLU 15 Ca 0.13 0.28 0.16 0.00 -0.01 0.00 0.00 57.16 57.72 1wvz n GLU 15 Cb 0.39 -1.84 0.55 0.00 -1.01 0.00 0.00 31.44 29.53 1wvz n GLU 15 CO 0.00 0.00 0.00 -0.22 0.09 0.00 0.00 177.13 177.00 1wvz h LYS 16 N 0.00 0.00 -0.17 3.49 3.64 -1.92 -2.64 116.57 118.97 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wvz h LYS 16 Cb 0.65 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.47 1wvz h LYS 16 CO 0.00 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.85 1wvz n MET 17 N -3.00 2.47 0.01 1.90 2.81 -1.05 -4.76 117.12 115.49 1wvz n MET 17 Ca 0.02 -2.43 -0.01 0.00 -1.81 0.00 0.00 57.70 53.47 1wvz n MET 17 Cb 0.35 -1.52 -0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1wvz n MET 17 CO 0.00 0.00 0.00 -1.91 1.51 0.00 0.00 175.97 175.57 1wvz n GLU 18 N -0.58 0.03 -3.14 0.03 4.07 -1.02 -5.01 120.64 115.02 1wvz n GLU 18 Ca 0.15 0.01 0.02 0.00 -0.06 0.00 0.00 57.16 57.28 1wvz n GLU 18 Cb 0.65 -0.27 -0.01 0.00 -0.06 0.00 0.00 31.44 31.75 1wvz n GLU 18 CO 0.00 0.00 0.00 0.15 -0.06 0.00 0.00 177.13 177.22 1wvz s LYS 19 N -1.35 0.68 0.00 5.31 -0.14 -1.03 -5.10 119.74 118.12 1wvz s LYS 19 Ca -0.02 -0.12 0.00 0.00 -1.36 0.00 0.00 55.97 54.47 1wvz s LYS 19 Cb 0.00 0.11 0.00 0.00 -1.68 0.00 0.00 37.83 36.26 1wvz s LYS 19 CO 0.03 -1.02 0.00 2.89 -0.76 0.00 0.00 175.35 176.48 1wvz n ARG 20 N 4.47 0.00 -2.32 1.68 -4.01 -1.25 -4.81 116.66 110.41 1wvz n ARG 20 Ca 0.09 0.00 -0.35 0.00 -1.04 0.00 0.00 57.85 56.56 1wvz n ARG 20 Cb 0.57 0.00 -0.04 0.00 -3.04 0.00 0.00 32.46 29.96 1wvz n ARG 20 CO 0.00 0.00 0.00 -0.51 -3.04 0.00 0.00 177.63 174.08 1wvz s LEU 21 N 0.00 3.36 0.00 2.89 1.02 -1.10 -3.77 118.68 121.09 1wvz s LEU 21 Ca 0.00 -1.26 0.03 0.00 0.02 0.00 0.00 54.13 52.92 1wvz s LEU 21 Cb 0.00 -2.57 -0.01 0.00 0.02 0.00 0.00 46.19 43.63 1wvz s LEU 21 CO 0.00 -2.09 0.11 1.41 0.02 0.00 0.00 176.35 175.80 1wvz n HIS 22 N 11.27 -0.10 -5.08 0.29 8.25 -1.09 -5.03 115.22 123.73 1wvz n HIS 22 Ca 0.38 -1.46 -0.30 0.00 -0.26 0.00 0.00 57.72 56.08 1wvz n HIS 22 Cb 0.49 0.05 -0.17 0.00 1.12 0.00 0.00 29.99 31.48 1wvz n HIS 22 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1wvz s ALA 23 N -2.65 1.93 -0.08 -1.41 0.00 -1.26 -1.24 121.76 117.06 1wvz s ALA 23 Ca 0.15 -0.87 0.01 0.00 0.00 0.00 0.00 51.96 51.25 1wvz s ALA 23 Cb 0.01 -0.68 -0.03 0.00 0.00 0.00 0.00 23.12 22.42 1wvz s ALA 23 CO 0.11 0.30 -0.10 0.08 0.00 0.00 0.00 175.76 176.15 1wvz s VAL 24 N 0.18 3.40 0.17 0.00 1.01 0.19 -4.92 120.40 120.43 1wvz s VAL 24 Ca -0.11 -0.58 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 1wvz s VAL 24 Cb -0.15 -2.39 -0.07 0.00 0.00 0.00 0.00 36.38 33.76 1wvz s VAL 24 CO 0.06 0.57 1.09 -2.16 0.00 0.00 0.00 175.10 174.65 1wvz s PRO 25 N -0.48 4.61 0.38 2.72 0.04 -1.26 -0.98 135.00 140.03 1wvz s PRO 25 Ca 0.07 1.69 -0.25 0.00 0.04 0.00 0.00 61.00 62.54 1wvz s PRO 25 Cb -0.12 -3.29 -0.09 0.00 0.04 0.00 0.00 34.50 31.05 1wvz s PRO 25 CO 0.02 0.09 1.13 0.00 0.04 0.00 0.00 177.00 178.28 1wvz s ALA 26 N -0.24 3.16 -0.59 8.56 0.00 -0.34 -3.06 121.76 129.25 1wvz s ALA 26 Ca 0.49 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.33 1wvz s ALA 26 Cb -0.29 -3.34 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1wvz s ALA 26 CO 0.34 -0.39 0.00 0.00 0.00 0.00 0.00 175.76 175.71 1wvz n ALA 27 N 0.17 -0.08 -2.52 0.00 0.00 -1.26 -5.01 120.51 111.82 1wvz n ALA 27 Ca 0.04 0.09 -0.25 0.00 0.00 0.00 0.00 53.44 53.32 1wvz n ALA 27 Cb 0.47 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.84 1wvz n ALA 27 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.50 176.70 1wvz s ASN 28 N -2.55 3.43 0.31 0.00 -0.87 -1.17 -4.86 114.94 109.22 1wvz s ASN 28 Ca 0.00 -1.22 -0.24 0.00 -1.57 0.00 0.00 52.86 49.83 1wvz s ASN 28 Cb 0.00 -0.29 -0.10 0.00 -0.02 0.00 0.00 41.25 40.84 1wvz s ASN 28 CO 0.00 -0.28 0.89 0.42 -2.57 0.00 0.00 177.10 175.56 1wvz s THR 29 N -2.75 4.32 -0.02 1.60 -4.23 -1.26 -3.73 115.64 109.57 1wvz s THR 29 Ca 0.32 1.65 0.05 0.00 -1.18 0.00 0.00 61.69 62.53 1wvz s THR 29 Cb 0.04 -3.93 -0.03 0.00 1.34 0.00 0.00 72.50 69.91 1wvz s THR 29 CO 0.15 0.11 -0.16 -0.69 -0.54 0.00 0.00 174.62 173.50 1wvz s VAL 30 N -1.65 2.94 -0.19 2.29 1.01 0.33 -4.96 120.40 120.18 1wvz s VAL 30 Ca 0.49 -0.89 -0.15 0.00 0.00 0.00 0.00 61.98 61.43 1wvz s VAL 30 Cb -0.17 -2.18 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 1wvz s VAL 30 CO 0.22 0.50 0.37 -1.59 0.00 0.00 0.00 175.10 174.60 1wvz s LYS 31 N -0.98 4.20 -0.21 2.72 0.00 -1.26 -0.47 119.74 123.74 1wvz s LYS 31 Ca 0.13 0.17 -0.04 0.00 0.00 0.00 0.00 55.97 56.23 1wvz s LYS 31 Cb -0.11 -3.50 -0.01 0.00 0.00 0.00 0.00 37.83 34.21 1wvz s LYS 31 CO 0.02 0.05 -0.03 0.12 0.00 0.00 0.00 175.35 175.51 1wvz s PHE 32 N 1.05 2.97 -0.16 1.78 2.19 0.39 -4.95 117.98 121.25 1wvz s PHE 32 Ca 0.18 -0.80 -0.03 0.00 0.33 0.00 0.00 56.93 56.62 1wvz s PHE 32 Cb -0.14 -2.10 -0.02 0.00 -1.31 0.00 0.00 43.02 39.45 1wvz s PHE 32 CO 0.07 -0.46 -0.06 1.03 1.83 0.00 0.00 175.22 177.62 1wvz s ARG 33 N 1.35 3.52 -0.39 10.12 1.81 -1.26 0.14 118.95 134.24 1wvz s ARG 33 Ca 0.04 -0.59 0.10 0.00 -1.72 0.00 0.00 55.73 53.56 1wvz s ARG 33 Cb -0.14 -2.86 0.39 0.00 -0.45 0.00 0.00 34.95 31.89 1wvz s ARG 33 CO -0.01 0.13 1.31 0.00 -0.68 0.00 0.00 175.30 176.04 1wvz s PRO 35 N -0.15 4.19 -0.18 0.00 0.04 -1.10 -4.63 135.00 133.17 1wvz s PRO 35 Ca 0.23 2.41 -0.04 0.00 0.04 0.00 0.00 61.00 63.63 1wvz s PRO 35 Cb 0.40 -3.30 0.09 0.00 0.04 0.00 0.00 34.50 31.73 1wvz s PRO 35 CO -0.08 -0.68 0.26 0.00 0.04 0.00 0.00 177.00 176.54 1wvz s ALA 36 N 1.70 -0.49 0.10 8.56 0.00 -1.26 -2.59 121.76 127.77 1wvz s ALA 36 Ca 0.73 0.59 -0.30 0.00 0.00 0.00 0.00 51.96 52.97 1wvz s ALA 36 Cb -0.44 -1.27 -0.06 0.00 0.00 0.00 0.00 23.12 21.36 1wvz s ALA 36 CO 0.32 -1.02 1.06 0.20 0.00 0.00 0.00 175.76 176.32 1wvz s GLY 37 N 2.39 2.82 0.00 0.00 0.00 -0.37 -4.67 107.32 107.49 1wvz s GLY 37 Ca 0.06 0.70 0.00 0.00 0.00 0.00 0.00 44.72 45.47 1wvz s GLY 37 CO -0.11 1.69 0.00 0.61 0.00 0.00 0.00 173.10 175.28 1wvz n GLY 38 N 2.53 0.80 3.74 0.20 0.00 -1.26 0.11 105.19 111.31 1wvz n GLY 38 Ca 0.05 0.24 -0.30 0.00 0.00 0.00 0.00 46.02 46.00 1wvz n GLY 38 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1wvz s ASN 39 N 2.00 3.91 0.00 1.61 2.20 -1.12 -4.94 114.94 118.61 1wvz s ASN 39 Ca 0.00 1.66 0.30 0.00 -0.94 0.00 0.00 52.86 53.88 1wvz s ASN 39 Cb 0.00 -2.34 1.55 0.00 -2.00 0.00 0.00 41.25 38.46 1wvz s ASN 39 CO 0.00 -2.39 2.07 -0.81 -2.94 0.00 0.00 177.10 173.03 1wvz n PRO 40 N -3.74 0.46 -3.44 3.55 -0.04 -1.26 -4.22 135.00 126.31 1wvz n PRO 40 Ca 0.08 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.21 1wvz n PRO 40 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.44 1wvz n PRO 40 CO 0.00 0.00 0.00 -0.12 -0.04 0.00 0.00 175.50 175.34 1wvz n MET 41 N -1.27 2.90 -3.06 0.54 1.56 -1.25 -5.06 117.12 111.48 1wvz n MET 41 Ca 0.15 -4.58 -0.40 0.00 -0.27 0.00 0.00 57.70 52.59 1wvz n MET 41 Cb 0.23 -2.35 -0.05 0.00 2.15 0.00 0.00 33.22 33.20 1wvz n MET 41 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wvz s PRO 42 N -2.17 4.24 -0.36 2.12 0.04 -1.26 -4.73 135.00 132.89 1wvz s PRO 42 Ca 0.33 0.72 -0.01 0.00 0.04 0.00 0.00 61.00 62.08 1wvz s PRO 42 Cb 0.05 -3.57 0.09 0.00 0.04 0.00 0.00 34.50 31.11 1wvz s PRO 42 CO -0.03 -0.24 0.10 0.99 0.04 0.00 0.00 177.00 177.85 1wvz s THR 43 N 1.90 2.91 0.05 1.26 2.01 -0.79 -5.02 115.64 117.97 1wvz s THR 43 Ca 0.31 -1.94 0.07 0.00 0.31 0.00 0.00 61.69 60.44 1wvz s THR 43 Cb -0.16 -2.93 -0.03 0.00 0.01 0.00 0.00 72.50 69.38 1wvz s THR 43 CO 0.11 -0.49 -0.15 0.00 -0.69 0.00 0.00 174.62 173.41 1wvz s MET 44 N 1.11 2.14 0.12 4.92 0.23 -1.26 0.17 119.30 126.73 1wvz s MET 44 Ca 0.05 -0.96 0.07 0.00 -1.03 0.00 0.00 55.69 53.82 1wvz s MET 44 Cb -0.21 -2.26 -0.04 0.00 -1.53 0.00 0.00 34.83 30.79 1wvz s MET 44 CO -0.04 0.54 -0.09 1.03 -2.03 0.00 0.00 175.02 174.42 1wvz s ARG 45 N -1.65 2.13 -0.26 3.16 0.52 0.27 -4.91 118.95 118.20 1wvz s ARG 45 Ca 0.17 -1.06 -0.09 0.00 -0.52 0.00 0.00 55.73 54.22 1wvz s ARG 45 Cb -0.11 -2.29 -0.04 0.00 0.52 0.00 0.00 34.95 33.03 1wvz s ARG 45 CO 0.08 0.49 0.13 -1.58 0.02 0.00 0.00 175.30 174.44 1wvz s TRP 46 N -1.31 3.16 -0.13 -0.53 0.52 -1.26 -1.74 118.94 117.65 1wvz s TRP 46 Ca 0.22 -0.13 0.00 0.00 0.02 0.00 0.00 56.10 56.21 1wvz s TRP 46 Cb -0.11 -2.31 0.02 0.00 -1.15 0.00 0.00 33.47 29.93 1wvz s TRP 46 CO 0.14 -0.24 -0.12 -1.17 0.02 0.00 0.00 176.95 175.58 1wvz s LEU 47 N 1.66 1.52 -0.14 2.99 2.96 -0.79 -2.11 118.68 124.77 1wvz s LEU 47 Ca 0.07 -0.41 -0.00 0.00 -0.22 0.00 0.00 54.13 53.57 1wvz s LEU 47 Cb -0.15 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.52 1wvz s LEU 47 CO 0.07 -0.06 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.35 1wvz s LYS 48 N 1.46 1.87 -0.73 1.98 -2.85 0.20 -1.31 119.74 120.36 1wvz s LYS 48 Ca 0.03 -0.47 0.00 0.00 -1.00 0.00 0.00 55.97 54.53 1wvz s LYS 48 Cb -0.13 -1.93 0.00 0.00 -2.06 0.00 0.00 37.83 33.71 1wvz s LYS 48 CO -0.08 -0.29 0.00 -1.71 0.10 0.00 0.00 175.35 173.36 1wvz n ASN 49 N 4.84 -2.43 0.00 0.03 4.05 -0.61 0.12 115.26 121.26 1wvz n ASN 49 Ca -0.14 0.25 0.00 0.00 0.45 0.00 0.00 54.58 55.14 1wvz n ASN 49 Cb 0.49 -2.28 0.00 0.00 1.23 0.00 0.00 39.78 39.22 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1wvz n GLY 50 N -0.43 0.42 3.86 8.20 0.00 -1.26 -5.04 105.19 110.93 1wvz n GLY 50 Ca -0.08 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.59 1wvz n GLY 50 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1wvz s LYS 51 N -0.74 3.79 0.10 1.61 2.36 0.33 -5.09 119.74 122.09 1wvz s LYS 51 Ca 0.00 0.22 0.06 0.00 -2.55 0.00 0.00 55.97 53.70 1wvz s LYS 51 Cb 0.00 -3.02 -0.04 0.00 -1.05 0.00 0.00 37.83 33.72 1wvz s LYS 51 CO 0.00 0.57 -0.06 -1.83 1.55 0.00 0.00 175.35 175.57 1wvz s GLU 52 N -1.82 2.29 -0.06 4.03 -1.05 -1.26 0.58 118.70 121.41 1wvz s GLU 52 Ca 0.32 -0.95 0.06 0.00 -0.15 0.00 0.00 54.97 54.26 1wvz s GLU 52 Cb -0.14 -2.39 -0.01 0.00 -0.44 0.00 0.00 34.13 31.14 1wvz s GLU 52 CO 0.18 0.52 -0.25 -0.06 0.95 0.00 0.00 175.26 176.60 1wvz s PHE 53 N -1.24 2.44 0.00 4.83 0.08 -0.90 -4.91 117.98 118.28 1wvz s PHE 53 Ca 0.23 -0.71 0.00 0.00 0.12 0.00 0.00 56.93 56.56 1wvz s PHE 53 Cb -0.11 -1.60 0.00 0.00 -0.57 0.00 0.00 43.02 40.74 1wvz s PHE 53 CO 0.15 -0.21 0.00 1.17 -0.10 0.00 0.00 175.22 176.23 1wvz n LYS 54 N 2.93 0.00 0.23 0.44 4.81 -1.26 -4.53 118.16 120.78 1wvz n LYS 54 Ca -0.17 0.00 0.17 0.00 -0.87 0.00 0.00 58.31 57.43 1wvz n LYS 54 Cb 0.52 0.00 0.84 0.00 0.02 0.00 0.00 35.03 36.41 1wvz n LYS 54 CO 0.00 0.00 0.00 1.96 1.17 0.00 0.00 177.40 180.53 1wvz h GLN 55 N 0.00 0.00 -2.03 1.64 4.20 -2.05 0.83 115.11 117.70 1wvz h GLN 55 Ca 0.00 0.00 -0.62 0.00 0.06 0.00 0.00 58.65 58.09 1wvz h GLN 55 Cb 0.00 0.00 -0.21 0.00 0.30 0.00 0.00 27.48 27.57 1wvz h GLN 55 CO 0.00 0.00 0.75 0.39 -0.67 0.00 0.00 178.83 179.30 1wvz n GLU 56 N -3.82 2.70 -0.97 1.46 4.71 -1.26 -5.01 120.64 118.44 1wvz n GLU 56 Ca 0.01 -2.92 -0.36 0.00 -0.01 0.00 0.00 57.16 53.88 1wvz n GLU 56 Cb 0.27 -2.22 0.05 0.00 -1.01 0.00 0.00 31.44 28.53 1wvz n GLU 56 CO 0.00 0.00 0.00 0.72 0.09 0.00 0.00 177.13 177.94 1wvz n HIS 57 N 0.31 -4.50 -2.64 -0.32 8.25 0.28 -4.87 115.22 111.74 1wvz n HIS 57 Ca 0.51 0.04 -0.40 0.00 -0.26 0.00 0.00 57.72 57.62 1wvz n HIS 57 Cb 0.40 -1.47 -0.05 0.00 1.12 0.00 0.00 29.99 29.99 1wvz n HIS 57 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1wvz s ARG 58 N -2.21 4.70 -0.30 -0.41 0.52 -1.26 -4.94 118.95 115.05 1wvz s ARG 58 Ca 0.42 1.59 -0.29 0.00 -0.52 0.00 0.00 55.73 56.94 1wvz s ARG 58 Cb -0.16 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 1wvz s ARG 58 CO 0.80 0.34 1.74 0.42 0.02 0.00 0.00 175.30 178.62 1wvz s ILE 59 N -1.25 3.53 0.00 1.52 -1.09 -1.08 -2.60 121.20 120.23 1wvz s ILE 59 Ca 0.44 0.56 0.00 0.00 -2.23 0.00 0.00 60.65 59.42 1wvz s ILE 59 Cb -0.27 -3.67 0.00 0.00 -1.58 0.00 0.00 42.46 36.94 1wvz s ILE 59 CO 0.34 -0.39 0.00 0.61 -1.23 0.00 0.00 174.94 174.27 1wvz n GLY 60 N 5.22 1.06 0.00 6.18 0.00 -1.26 -4.06 105.19 112.32 1wvz n GLY 60 Ca 0.22 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1wvz n GLY 60 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1wvz n GLY 61 N 0.00 3.28 2.71 -0.02 0.00 -1.07 -4.90 105.19 105.19 1wvz n GLY 61 Ca 0.00 -1.95 -0.22 0.00 0.00 0.00 0.00 46.02 43.85 1wvz n GLY 61 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1wvz s TYR 62 N -2.89 0.38 0.13 1.61 1.13 -1.26 -2.92 117.35 113.53 1wvz s TYR 62 Ca 0.00 -0.01 0.10 0.00 -1.41 0.00 0.00 57.07 55.75 1wvz s TYR 62 Cb 0.00 -0.66 -0.04 0.00 -1.10 0.00 0.00 41.96 40.16 1wvz s TYR 62 CO 0.00 -0.29 -0.21 0.15 -2.51 0.00 0.00 175.55 172.69 1wvz s LYS 63 N 2.07 1.64 -0.01 -3.49 -0.14 -0.18 -4.97 119.74 114.65 1wvz s LYS 63 Ca 0.05 -1.27 0.01 0.00 -1.36 0.00 0.00 55.97 53.39 1wvz s LYS 63 Cb -0.13 -2.02 0.01 0.00 -1.68 0.00 0.00 37.83 34.01 1wvz s LYS 63 CO -0.05 0.46 -0.02 0.54 -0.76 0.00 0.00 175.35 175.53 1wvz s VAL 64 N -1.18 0.22 -0.24 3.17 0.11 -1.26 0.59 120.40 121.81 1wvz s VAL 64 Ca 0.17 -0.06 -0.29 0.00 -2.93 0.00 0.00 61.98 58.88 1wvz s VAL 64 Cb -0.10 -0.23 -0.02 0.00 -1.53 0.00 0.00 36.38 34.49 1wvz s VAL 64 CO 0.09 0.09 1.62 -0.60 -3.33 0.00 0.00 175.10 172.98 1wvz s ARG 65 N 0.31 3.75 0.00 1.54 6.06 -0.26 -4.42 118.95 125.93 1wvz s ARG 65 Ca -0.03 1.61 0.00 0.00 -2.50 0.00 0.00 55.73 54.81 1wvz s ARG 65 Cb -0.06 -4.05 0.00 0.00 0.06 0.00 0.00 34.95 30.91 1wvz s ARG 65 CO -0.01 -1.35 0.00 -1.71 -2.50 0.00 0.00 175.30 169.73 1wvz n ASN 66 N 8.62 0.00 0.00 -2.12 5.15 -1.26 -3.20 115.26 122.46 1wvz n ASN 66 Ca 0.19 0.00 0.00 0.00 -0.60 0.00 0.00 54.58 54.17 1wvz n ASN 66 Cb 0.45 0.00 0.00 0.00 -0.53 0.00 0.00 39.78 39.70 1wvz n ASN 66 CO 0.00 0.00 0.00 1.67 1.40 0.00 0.00 177.26 180.33 1wvz n GLN 67 N 0.00 0.00 -3.58 1.20 7.27 -1.26 -5.08 117.38 115.93 1wvz n GLN 67 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1wvz n GLN 67 Cb 0.00 0.00 -0.13 0.00 2.41 0.00 0.00 30.24 32.52 1wvz n GLN 67 CO 0.00 0.00 0.00 -3.38 0.07 0.00 0.00 177.06 173.75 1wvz s HIS 68 N -0.68 1.20 0.00 3.69 -3.43 -1.19 -4.96 115.29 109.92 1wvz s HIS 68 Ca 0.00 -1.81 0.00 0.00 -0.80 0.00 0.00 55.06 52.45 1wvz s HIS 68 Cb 0.00 -1.32 0.00 0.00 -1.43 0.00 0.00 32.58 29.83 1wvz s HIS 68 CO 0.00 -0.82 0.00 0.91 -2.00 0.00 0.00 174.74 172.83 1wvz n TRP 69 N 4.12 0.00 -4.35 0.38 8.01 -1.26 -4.56 117.44 119.78 1wvz n TRP 69 Ca 0.07 0.00 -0.21 0.00 -1.31 0.00 0.00 57.50 56.06 1wvz n TRP 69 Cb 0.37 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.57 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 177.69 175.14 1wvz s SER 70 N 2.00 2.72 -0.09 -0.99 1.04 -1.26 -2.33 113.70 114.79 1wvz s SER 70 Ca 0.00 -0.94 -0.03 0.00 0.48 0.00 0.00 55.95 55.46 1wvz s SER 70 Cb 0.00 -0.16 0.04 0.00 0.10 0.00 0.00 66.02 66.00 1wvz s SER 70 CO 0.00 -0.09 0.06 -1.48 0.98 0.00 0.00 173.24 172.72 1wvz s LEU 71 N -3.02 0.31 -0.37 2.42 2.34 0.38 -1.10 118.68 119.64 1wvz s LEU 71 Ca 0.20 -0.21 -0.16 0.00 0.06 0.00 0.00 54.13 54.03 1wvz s LEU 71 Cb -0.04 -0.23 -0.00 0.00 -0.56 0.00 0.00 46.19 45.36 1wvz s LEU 71 CO 0.07 -0.28 0.38 -0.51 -1.06 0.00 0.00 176.35 174.95 1wvz s ILE 72 N 2.12 5.15 0.13 1.48 2.07 0.20 0.15 121.20 132.49 1wvz s ILE 72 Ca 0.04 -0.12 0.11 0.00 -1.41 0.00 0.00 60.65 59.27 1wvz s ILE 72 Cb -0.14 -3.89 -0.04 0.00 0.13 0.00 0.00 42.46 38.52 1wvz s ILE 72 CO -0.05 -0.20 -0.26 -0.04 -1.91 0.00 0.00 174.94 172.48 1wvz s MET 73 N 2.03 1.46 -0.23 3.50 -1.94 0.38 -1.01 119.30 123.49 1wvz s MET 73 Ca 0.11 -1.32 -0.05 0.00 -1.71 0.00 0.00 55.69 52.72 1wvz s MET 73 Cb -0.17 -1.93 -0.01 0.00 2.01 0.00 0.00 34.83 34.73 1wvz s MET 73 CO 0.12 0.46 -0.01 -2.00 -0.01 0.00 0.00 175.02 173.58 1wvz s GLU 74 N -2.06 3.44 -0.24 2.03 2.12 -1.15 0.12 118.70 122.96 1wvz s GLU 74 Ca 0.15 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.88 1wvz s GLU 74 Cb -0.10 -3.10 0.07 0.00 0.26 0.00 0.00 34.13 31.26 1wvz s GLU 74 CO 0.07 -0.20 0.02 0.45 -0.54 0.00 0.00 175.26 175.05 1wvz s SER 75 N 1.52 3.60 -0.19 -1.70 0.15 -1.24 -2.63 113.70 113.21 1wvz s SER 75 Ca 0.06 -1.21 -0.22 0.00 0.70 0.00 0.00 55.95 55.28 1wvz s SER 75 Cb -0.15 -0.91 -0.21 0.00 -1.71 0.00 0.00 66.02 63.05 1wvz s SER 75 CO -0.01 -0.31 0.30 1.62 1.20 0.00 0.00 173.24 176.03 1wvz h VAL 76 N 6.57 1.00 0.03 4.45 3.04 -1.83 -3.33 116.25 126.17 1wvz h VAL 76 Ca -0.16 -2.21 -0.29 0.00 -1.01 0.00 0.00 66.70 63.03 1wvz h VAL 76 Cb 1.07 2.39 -0.04 0.00 -2.01 0.00 0.00 31.29 32.70 1wvz h VAL 76 CO 0.40 0.39 -1.60 0.52 -1.01 0.00 0.00 177.57 176.27 1wvz n VAL 77 N -4.39 1.58 0.15 1.51 0.31 -1.26 -3.99 118.33 112.26 1wvz n VAL 77 Ca -0.29 -0.21 0.08 0.00 -0.01 0.00 0.00 64.34 63.90 1wvz n VAL 77 Cb 0.69 -1.94 0.40 0.00 -0.91 0.00 0.00 33.84 32.07 1wvz n VAL 77 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1wvz n PRO 78 N -4.18 0.10 0.23 5.55 -0.02 -1.26 -2.56 135.00 132.85 1wvz n PRO 78 Ca -0.35 0.56 0.17 0.00 -2.02 0.00 0.00 63.50 61.86 1wvz n PRO 78 Cb 0.79 -1.80 0.77 0.00 -0.02 0.00 0.00 33.50 33.25 1wvz n PRO 78 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 1wvz h SER 79 N 0.00 0.00 -0.84 2.55 4.64 -1.72 -1.12 113.55 117.06 1wvz h SER 79 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 1wvz h SER 79 Cb 0.05 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.03 1wvz h SER 79 CO 0.00 0.00 0.36 -0.78 -0.87 0.00 0.00 176.83 175.54 1wvz h ASP 80 N 0.00 0.34 -3.27 4.97 1.82 -1.79 -3.32 116.42 115.17 1wvz h ASP 80 Ca 0.09 0.13 -0.64 0.00 -0.39 0.00 0.00 57.03 56.21 1wvz h ASP 80 Cb 0.87 0.10 -0.15 0.00 0.68 0.00 0.00 39.33 40.83 1wvz h ASP 80 CO -0.00 0.08 0.33 -1.59 -1.61 0.00 0.00 179.24 176.45 1wvz s LYS 81 N -5.96 3.25 -0.22 0.28 -2.85 -0.43 -4.74 119.74 109.08 1wvz s LYS 81 Ca -0.12 -0.50 0.10 0.00 -1.00 0.00 0.00 55.97 54.45 1wvz s LYS 81 Cb 0.23 -4.06 0.65 0.00 -2.06 0.00 0.00 37.83 32.59 1wvz s LYS 81 CO 0.77 -1.33 1.56 0.41 0.10 0.00 0.00 175.35 176.86 1wvz n GLY 82 N 5.13 2.94 3.52 0.59 0.00 -1.25 -4.83 105.19 111.29 1wvz n GLY 82 Ca -0.02 -0.78 -0.43 0.00 0.00 0.00 0.00 46.02 44.80 1wvz n GLY 82 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1wvz s ASN 83 N -0.67 6.34 -0.40 1.61 2.47 -1.25 -1.79 114.94 121.24 1wvz s ASN 83 Ca 0.45 -0.34 -0.16 0.00 0.42 0.00 0.00 52.86 53.23 1wvz s ASN 83 Cb 0.35 -2.34 0.01 0.00 -1.45 0.00 0.00 41.25 37.82 1wvz s ASN 83 CO 0.12 -0.85 0.37 -0.31 -3.72 0.00 0.00 177.10 172.71 1wvz s TYR 84 N 2.99 3.20 -0.15 0.43 1.51 -0.73 -1.58 117.35 123.03 1wvz s TYR 84 Ca 0.24 -0.39 0.00 0.00 -1.01 0.00 0.00 57.07 55.91 1wvz s TYR 84 Cb -0.14 -2.73 0.03 0.00 -0.11 0.00 0.00 41.96 39.00 1wvz s TYR 84 CO 0.19 -0.60 -0.12 0.99 -1.11 0.00 0.00 175.55 174.89 1wvz s THR 85 N 1.94 1.48 -0.23 -0.71 2.01 -0.42 0.14 115.64 119.84 1wvz s THR 85 Ca 0.09 -0.63 -0.10 0.00 0.31 0.00 0.00 61.69 61.37 1wvz s THR 85 Cb -0.18 -1.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.85 1wvz s THR 85 CO 0.12 0.40 0.14 0.00 -0.69 0.00 0.00 174.62 174.58 1wvz s VAL 87 N 1.04 3.59 -0.38 0.00 1.01 -0.71 -0.74 120.40 124.21 1wvz s VAL 87 Ca 0.07 -1.68 -0.18 0.00 0.00 0.00 0.00 61.98 60.19 1wvz s VAL 87 Cb -0.14 -3.28 0.00 0.00 0.00 0.00 0.00 36.38 32.97 1wvz s VAL 87 CO 0.04 -0.51 0.51 0.54 0.00 0.00 0.00 175.10 175.69 1wvz s VAL 88 N 1.27 5.00 0.20 2.92 0.11 -0.78 0.97 120.40 130.09 1wvz s VAL 88 Ca 0.04 0.18 0.06 0.00 -2.93 0.00 0.00 61.98 59.33 1wvz s VAL 88 Cb -0.22 -4.01 -0.04 0.00 -1.53 0.00 0.00 36.38 30.58 1wvz s VAL 88 CO -0.01 -0.31 0.12 -0.70 -3.33 0.00 0.00 175.10 170.87 1wvz s GLU 89 N 2.40 2.78 0.09 1.54 2.12 0.46 -1.65 118.70 126.45 1wvz s GLU 89 Ca 0.18 -1.00 -0.03 0.00 0.36 0.00 0.00 54.97 54.48 1wvz s GLU 89 Cb -0.16 -2.54 -0.03 0.00 0.26 0.00 0.00 34.13 31.67 1wvz s GLU 89 CO 0.14 0.45 0.06 0.54 -0.54 0.00 0.00 175.26 175.90 1wvz s ASN 90 N -3.34 0.34 0.56 -1.70 4.22 0.42 -1.88 114.94 113.56 1wvz s ASN 90 Ca 0.31 -0.99 0.30 0.00 -2.14 0.00 0.00 52.86 50.34 1wvz s ASN 90 Cb -0.09 0.27 1.66 0.00 1.28 0.00 0.00 41.25 44.37 1wvz s ASN 90 CO 0.23 -0.68 1.92 -0.08 -2.04 0.00 0.00 177.10 176.44 1wvz h GLU 91 N 2.95 0.00 -0.12 3.55 4.22 -1.88 0.82 114.58 124.13 1wvz h GLU 91 Ca -0.34 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.10 1wvz h GLU 91 Cb 1.17 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.42 1wvz h GLU 91 CO 0.61 0.00 0.00 0.66 -2.18 0.00 0.00 179.01 178.10 1wvz n TYR 92 N -2.71 0.13 0.00 0.92 4.02 -1.26 -5.06 117.16 113.19 1wvz n TYR 92 Ca -0.02 -0.09 0.00 0.00 -0.01 0.00 0.00 57.90 57.78 1wvz n TYR 92 Cb 0.22 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wvz n GLY 93 N 1.03 2.38 3.11 2.72 0.00 0.28 -4.95 105.19 109.76 1wvz n GLY 93 Ca 0.12 -1.19 -0.22 0.00 0.00 0.00 0.00 46.02 44.73 1wvz n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvz s SER 94 N 0.00 1.65 0.15 1.61 1.04 -1.26 0.16 113.70 117.06 1wvz s SER 94 Ca 0.00 -0.26 0.08 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.18 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1wvz s SER 94 CO 0.00 0.17 -0.17 -0.63 0.98 0.00 0.00 173.24 173.59 1wvz s ILE 95 N -0.35 1.71 -0.01 -1.02 1.01 -0.66 -4.98 121.20 116.90 1wvz s ILE 95 Ca 0.05 -1.87 0.05 0.00 0.00 0.00 0.00 60.65 58.89 1wvz s ILE 95 Cb -0.06 -1.77 -0.01 0.00 0.01 0.00 0.00 42.46 40.63 1wvz s ILE 95 CO -0.00 -0.34 -0.17 0.54 0.00 0.00 0.00 174.94 174.97 1wvz s ASN 96 N -2.61 2.03 -0.03 3.58 6.03 -1.26 -1.87 114.94 120.81 1wvz s ASN 96 Ca 0.14 -0.31 0.01 0.00 -1.03 0.00 0.00 52.86 51.67 1wvz s ASN 96 Cb -0.06 -0.23 0.02 0.00 -3.03 0.00 0.00 41.25 37.96 1wvz s ASN 96 CO 0.06 0.21 -0.03 -1.00 -2.03 0.00 0.00 177.10 174.31 1wvz s HIS 97 N -0.40 0.57 0.07 1.54 3.76 0.08 -5.00 115.29 115.92 1wvz s HIS 97 Ca 0.07 -0.12 0.08 0.00 -0.15 0.00 0.00 55.06 54.94 1wvz s HIS 97 Cb -0.07 -0.54 -0.03 0.00 1.11 0.00 0.00 32.58 33.05 1wvz s HIS 97 CO -0.01 -0.15 -0.21 0.99 -0.85 0.00 0.00 174.74 174.52 1wvz s THR 98 N 0.84 2.62 -0.02 1.30 2.01 -1.26 0.84 115.64 121.97 1wvz s THR 98 Ca -0.10 -1.37 0.01 0.00 0.31 0.00 0.00 61.69 60.53 1wvz s THR 98 Cb -0.13 -2.12 0.02 0.00 0.01 0.00 0.00 72.50 70.27 1wvz s THR 98 CO -0.00 0.25 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.84 1wvz s TYR 99 N -0.98 0.45 -0.65 4.92 2.02 0.37 -4.95 117.35 118.53 1wvz s TYR 99 Ca 0.15 -0.08 -0.27 0.00 -0.37 0.00 0.00 57.07 56.51 1wvz s TYR 99 Cb -0.10 -0.42 0.04 0.00 -0.40 0.00 0.00 41.96 41.08 1wvz s TYR 99 CO 0.06 -0.10 1.17 -1.01 -1.57 0.00 0.00 175.55 174.10 1wvz s HIS 100 N 0.59 2.50 0.03 2.71 3.76 -1.25 -1.78 115.29 121.86 1wvz s HIS 100 Ca -0.07 0.08 0.08 0.00 -0.15 0.00 0.00 55.06 55.01 1wvz s HIS 100 Cb -0.10 -4.49 -0.02 0.00 1.11 0.00 0.00 32.58 29.08 1wvz s HIS 100 CO -0.01 -1.76 -0.24 -0.51 -0.85 0.00 0.00 174.74 171.37 1wvz s LEU 101 N 5.06 2.13 0.03 0.89 1.43 -0.74 -2.65 118.68 124.83 1wvz s LEU 101 Ca 0.36 -0.53 0.04 0.00 -1.03 0.00 0.00 54.13 52.97 1wvz s LEU 101 Cb -0.09 -1.20 -0.04 0.00 0.03 0.00 0.00 46.19 44.89 1wvz s LEU 101 CO 0.19 0.25 -0.05 -1.81 0.23 0.00 0.00 176.35 175.16 1wvz s ASP 102 N -1.02 4.71 -0.28 2.29 1.11 -0.37 -3.97 116.67 119.14 1wvz s ASP 102 Ca 0.10 -0.17 -0.11 0.00 0.18 0.00 0.00 52.55 52.54 1wvz s ASP 102 Cb -0.09 -1.09 -0.05 0.00 1.07 0.00 0.00 42.92 42.76 1wvz s ASP 102 CO 0.01 0.25 0.21 0.54 1.18 0.00 0.00 175.17 177.36 1wvz s VAL 103 N -1.09 5.29 -0.13 -1.27 0.11 -1.26 0.53 120.40 122.58 1wvz s VAL 103 Ca 0.19 0.22 0.01 0.00 -2.93 0.00 0.00 61.98 59.48 1wvz s VAL 103 Cb -0.11 -3.55 0.01 0.00 -1.53 0.00 0.00 36.38 31.20 1wvz s VAL 103 CO 0.11 0.24 0.53 0.52 -3.33 0.00 0.00 175.10 173.17