#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 -4.58 0.53 4.13 -1.26 -4.89 115.26 109.19 1wvz n ASN 5 Ca 0.00 0.00 -0.40 0.00 1.68 0.00 0.00 54.58 55.86 1wvz n ASN 5 Cb 0.00 0.00 -0.09 0.00 -1.54 0.00 0.00 39.78 38.15 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 0.28 0.00 0.00 177.26 177.00 1wvz s LYS 6 N 4.43 3.84 -0.11 3.52 3.01 -1.26 -3.72 119.74 129.45 1wvz s LYS 6 Ca 0.00 -0.09 -0.04 0.00 -1.01 0.00 0.00 55.97 54.83 1wvz s LYS 6 Cb 0.00 -3.72 0.06 0.00 -1.01 0.00 0.00 37.83 33.16 1wvz s LYS 6 CO 0.00 -0.41 0.23 1.03 0.51 0.00 0.00 175.35 176.71 1wvz s ARG 7 N 2.13 0.12 -0.16 1.68 3.00 -1.26 -4.15 118.95 120.31 1wvz s ARG 7 Ca 0.15 0.66 -0.36 0.00 0.00 0.00 0.00 55.73 56.18 1wvz s ARG 7 Cb -0.16 -0.11 -0.17 0.00 0.00 0.00 0.00 34.95 34.51 1wvz s ARG 7 CO 0.11 -0.27 1.09 0.00 0.00 0.00 0.00 175.30 176.23 1wvz n ALA 8 N 5.14 -2.42 -2.38 2.13 0.00 -1.26 -2.79 120.51 118.92 1wvz n ALA 8 Ca -0.09 0.48 -0.39 0.00 0.00 0.00 0.00 53.44 53.44 1wvz n ALA 8 Cb 0.50 -1.55 -0.06 0.00 0.00 0.00 0.00 19.45 18.34 1wvz n ALA 8 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 1wvz s PRO 9 N 0.98 4.20 0.06 0.00 0.04 -1.26 -4.63 135.00 134.39 1wvz s PRO 9 Ca 0.82 0.68 -0.27 0.00 0.04 0.00 0.00 61.00 62.27 1wvz s PRO 9 Cb -1.16 -3.27 -0.05 0.00 0.04 0.00 0.00 34.50 30.06 1wvz s PRO 9 CO 0.57 0.55 0.84 1.52 0.04 0.00 0.00 177.00 180.52 1wvz s TYR 10 N -0.77 3.75 0.13 0.56 -0.85 0.47 -4.74 117.35 115.90 1wvz s TYR 10 Ca 0.29 1.58 -0.32 0.00 -0.52 0.00 0.00 57.07 58.10 1wvz s TYR 10 Cb -0.19 -2.91 -0.11 0.00 0.38 0.00 0.00 41.96 39.13 1wvz s TYR 10 CO 0.17 0.23 1.80 -2.67 -1.52 0.00 0.00 175.55 173.56 1wvz n TRP 11 N 2.90 2.61 0.00 -3.49 4.27 -1.26 0.61 117.44 123.07 1wvz n TRP 11 Ca -0.00 -0.08 0.00 0.00 -3.89 0.00 0.00 57.50 53.53 1wvz n TRP 11 Cb 0.50 -2.70 0.00 0.00 -1.36 0.00 0.00 31.31 27.75 1wvz n TRP 11 CO 0.00 0.00 0.00 0.25 -2.29 0.00 0.00 177.69 175.65 1wvz n THR 12 N 4.49 0.00 -2.80 -1.67 -2.24 -0.90 -4.81 114.28 106.35 1wvz n THR 12 Ca 0.18 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 1wvz n THR 12 Cb 0.36 -0.67 -0.03 0.00 -2.10 0.00 0.00 70.33 67.89 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1wvz s ASN 13 N -1.00 7.19 0.19 3.42 -0.87 -1.25 -5.00 114.94 117.62 1wvz s ASN 13 Ca 0.00 1.45 -0.31 0.00 -1.57 0.00 0.00 52.86 52.43 1wvz s ASN 13 Cb 0.00 -2.52 -0.10 0.00 -0.02 0.00 0.00 41.25 38.61 1wvz s ASN 13 CO 0.00 -0.30 1.52 -0.89 -2.57 0.00 0.00 177.10 174.86 1wvz s THR 14 N 1.41 2.65 -0.56 1.60 2.01 -1.26 -4.61 115.64 116.87 1wvz s THR 14 Ca 0.46 0.49 0.26 0.00 0.31 0.00 0.00 61.69 63.20 1wvz s THR 14 Cb -0.19 -3.31 0.30 0.00 0.01 0.00 0.00 72.50 69.31 1wvz s THR 14 CO 0.21 0.05 1.74 -0.33 -0.69 0.00 0.00 174.62 175.60 1wvz h GLU 15 N 6.23 0.00 0.00 4.92 5.08 -1.94 -2.89 114.58 125.97 1wvz h GLU 15 Ca -0.44 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.92 1wvz h GLU 15 Cb 1.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.46 1wvz h GLU 15 CO 0.87 0.00 0.00 0.36 -1.00 0.00 0.00 179.01 179.24 1wvz n LYS 16 N -2.53 0.09 -0.59 2.33 2.85 -1.26 0.26 118.16 119.31 1wvz n LYS 16 Ca 0.04 0.33 0.06 0.00 -1.05 0.00 0.00 58.31 57.69 1wvz n LYS 16 Cb 0.42 -1.67 0.15 0.00 -0.65 0.00 0.00 35.03 33.28 1wvz n LYS 16 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1wvz n MET 17 N -1.85 1.20 0.00 -1.58 0.00 -1.09 -4.67 117.12 109.13 1wvz n MET 17 Ca 0.03 -2.81 0.00 0.00 0.00 0.00 0.00 57.70 54.92 1wvz n MET 17 Cb 0.20 -1.30 0.00 0.00 0.00 0.00 0.00 33.22 32.12 1wvz n MET 17 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1wvz n GLU 18 N -0.91 0.00 -0.11 3.17 4.07 -1.06 -4.99 120.64 120.81 1wvz n GLU 18 Ca 0.15 0.00 -0.15 0.00 -0.06 0.00 0.00 57.16 57.10 1wvz n GLU 18 Cb 0.74 0.00 -0.14 0.00 -0.06 0.00 0.00 31.44 31.99 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 1wvz n LYS 19 N -0.40 0.67 -0.78 5.31 3.00 0.14 -4.64 118.16 121.44 1wvz n LYS 19 Ca 0.00 0.10 -0.29 0.00 -0.00 0.00 0.00 58.31 58.12 1wvz n LYS 19 Cb 0.00 -1.53 -0.04 0.00 0.00 0.00 0.00 35.03 33.46 1wvz n LYS 19 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.40 180.29 1wvz n ARG 20 N -3.08 1.47 -2.75 1.64 1.85 0.00 -4.84 116.66 110.95 1wvz n ARG 20 Ca -0.40 -1.45 -0.42 0.00 -1.00 0.00 0.00 57.85 54.57 1wvz n ARG 20 Cb 1.05 -2.57 -0.04 0.00 -1.05 0.00 0.00 32.46 29.86 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -0.01 0.00 0.00 177.63 176.45 1wvz s LEU 21 N 0.47 3.91 0.47 2.89 2.96 -1.24 -4.78 118.68 123.36 1wvz s LEU 21 Ca 0.43 -0.48 0.25 0.00 -0.22 0.00 0.00 54.13 54.12 1wvz s LEU 21 Cb 0.11 -2.71 1.10 0.00 0.50 0.00 0.00 46.19 45.19 1wvz s LEU 21 CO 0.05 -1.44 1.91 0.45 -1.32 0.00 0.00 176.35 176.00 1wvz h HIS 22 N 9.55 0.00 -3.52 5.38 3.86 -1.85 -3.23 115.15 125.35 1wvz h HIS 22 Ca -0.27 0.00 -0.72 0.00 -1.16 0.00 0.00 60.37 58.22 1wvz h HIS 22 Cb 1.07 0.00 -0.22 0.00 1.06 0.00 0.00 27.41 29.31 1wvz h HIS 22 CO 0.99 0.19 -0.45 0.00 0.86 0.00 0.00 177.93 179.51 1wvz s ALA 23 N -3.81 3.41 -0.04 2.45 0.00 -1.26 -0.21 121.76 122.31 1wvz s ALA 23 Ca -0.01 -1.74 0.02 0.00 0.00 0.00 0.00 51.96 50.23 1wvz s ALA 23 Cb 0.11 -2.80 0.01 0.00 0.00 0.00 0.00 23.12 20.44 1wvz s ALA 23 CO 0.62 -1.45 -0.07 0.08 0.00 0.00 0.00 175.76 174.93 1wvz s VAL 24 N 1.63 0.67 0.22 0.00 1.01 -0.32 -4.92 120.40 118.70 1wvz s VAL 24 Ca 0.04 -0.25 -0.30 0.00 0.00 0.00 0.00 61.98 61.47 1wvz s VAL 24 Cb -0.19 -0.64 -0.09 0.00 0.00 0.00 0.00 36.38 35.46 1wvz s VAL 24 CO 0.09 0.23 1.20 -2.16 0.00 0.00 0.00 175.10 174.46 1wvz s PRO 25 N 0.52 4.50 0.39 2.72 0.04 -1.26 0.16 135.00 142.07 1wvz s PRO 25 Ca -0.08 1.92 -0.25 0.00 0.04 0.00 0.00 61.00 62.63 1wvz s PRO 25 Cb -0.11 -3.21 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 1wvz s PRO 25 CO 0.01 -0.05 1.05 0.00 0.04 0.00 0.00 177.00 178.05 1wvz s ALA 26 N -0.38 3.12 -2.07 8.56 0.00 0.58 -3.08 121.76 128.49 1wvz s ALA 26 Ca 0.51 0.72 0.00 0.00 0.00 0.00 0.00 51.96 53.19 1wvz s ALA 26 Cb -0.34 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.51 1wvz s ALA 26 CO 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 175.76 175.95 1wvz n ALA 27 N 0.06 -0.36 -2.54 0.00 0.00 -1.26 -4.96 120.51 111.46 1wvz n ALA 27 Ca 0.04 0.30 -0.25 0.00 0.00 0.00 0.00 53.44 53.53 1wvz n ALA 27 Cb 0.49 -2.03 -0.11 0.00 0.00 0.00 0.00 19.45 17.81 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 -2.67 3.29 0.36 0.00 0.01 -1.18 -4.82 114.94 109.93 1wvz s ASN 28 Ca 0.00 -1.34 -0.24 0.00 -0.71 0.00 0.00 52.86 50.57 1wvz s ASN 28 Cb 0.00 -0.28 -0.10 0.00 0.41 0.00 0.00 41.25 41.28 1wvz s ASN 28 CO 0.00 -0.46 0.96 0.28 -1.51 0.00 0.00 177.10 176.37 1wvz s THR 29 N -2.91 4.18 -0.01 1.60 -1.32 -1.26 -3.80 115.64 112.12 1wvz s THR 29 Ca 0.35 1.65 0.04 0.00 -1.21 0.00 0.00 61.69 62.53 1wvz s THR 29 Cb 0.08 -3.85 -0.03 0.00 -1.51 0.00 0.00 72.50 67.20 1wvz s THR 29 CO 0.17 -0.01 -0.13 -0.69 -2.21 0.00 0.00 174.62 171.75 1wvz s VAL 30 N -1.78 3.16 -0.15 5.08 1.01 0.26 -4.86 120.40 123.13 1wvz s VAL 30 Ca 0.55 -0.87 -0.14 0.00 0.00 0.00 0.00 61.98 61.52 1wvz s VAL 30 Cb -0.17 -2.30 -0.05 0.00 0.00 0.00 0.00 36.38 33.87 1wvz s VAL 30 CO 0.21 0.46 0.32 -0.75 0.00 0.00 0.00 175.10 175.35 1wvz s LYS 31 N -1.12 4.23 -0.08 2.72 2.36 -1.26 -1.10 119.74 125.49 1wvz s LYS 31 Ca 0.14 0.16 -0.01 0.00 -2.55 0.00 0.00 55.97 53.71 1wvz s LYS 31 Cb -0.11 -3.41 0.03 0.00 -1.05 0.00 0.00 37.83 33.29 1wvz s LYS 31 CO 0.04 0.26 -0.01 0.12 1.55 0.00 0.00 175.35 177.31 1wvz s PHE 32 N 0.38 0.81 0.10 4.03 5.36 -0.74 -4.93 117.98 122.98 1wvz s PHE 32 Ca 0.18 -0.26 0.08 0.00 -0.96 0.00 0.00 56.93 55.97 1wvz s PHE 32 Cb -0.13 -0.87 -0.04 0.00 -0.34 0.00 0.00 43.02 41.64 1wvz s PHE 32 CO 0.05 -0.35 -0.16 -0.98 -1.46 0.00 0.00 175.22 172.32 1wvz s ARG 33 N 1.88 1.92 -0.39 10.12 3.03 -1.26 -1.72 118.95 132.53 1wvz s ARG 33 Ca 0.04 -1.10 0.10 0.00 2.03 0.00 0.00 55.73 56.80 1wvz s ARG 33 Cb -0.12 -2.17 0.40 0.00 -1.03 0.00 0.00 34.95 32.02 1wvz s ARG 33 CO -0.05 0.50 1.31 0.00 -1.13 0.00 0.00 175.30 175.92 1wvz s PRO 35 N -0.26 4.27 -0.24 0.00 0.04 -0.38 -4.53 135.00 133.91 1wvz s PRO 35 Ca 0.22 2.23 -0.08 0.00 0.04 0.00 0.00 61.00 63.41 1wvz s PRO 35 Cb 0.41 -3.18 0.11 0.00 0.04 0.00 0.00 34.50 31.87 1wvz s PRO 35 CO -0.07 -0.49 0.50 0.00 0.04 0.00 0.00 177.00 176.98 1wvz s ALA 36 N 0.85 -1.47 0.05 8.56 0.00 -1.26 -2.12 121.76 126.36 1wvz s ALA 36 Ca 0.65 1.76 -0.31 0.00 0.00 0.00 0.00 51.96 54.06 1wvz s ALA 36 Cb -0.40 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.15 1wvz s ALA 36 CO 0.33 -0.85 1.34 0.20 0.00 0.00 0.00 175.76 176.78 1wvz s GLY 37 N 2.71 2.04 0.00 0.00 0.00 0.20 -4.51 107.32 107.76 1wvz s GLY 37 Ca -0.02 0.93 0.00 0.00 0.00 0.00 0.00 44.72 45.63 1wvz s GLY 37 CO -0.15 2.33 0.00 0.61 0.00 0.00 0.00 173.10 175.89 1wvz n GLY 38 N 3.48 2.21 3.71 0.20 0.00 -1.26 0.18 105.19 113.70 1wvz n GLY 38 Ca 0.11 -0.33 -0.29 0.00 0.00 0.00 0.00 46.02 45.52 1wvz n GLY 38 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvz s ASN 39 N 2.00 2.71 0.00 1.61 0.02 -1.12 -4.92 114.94 115.25 1wvz s ASN 39 Ca 0.00 1.01 0.10 0.00 -1.02 0.00 0.00 52.86 52.95 1wvz s ASN 39 Cb 0.00 -1.59 0.59 0.00 0.02 0.00 0.00 41.25 40.27 1wvz s ASN 39 CO 0.00 -3.06 1.32 -0.81 0.02 0.00 0.00 177.10 174.57 1wvz n PRO 40 N -4.10 0.92 -3.61 -0.60 -0.04 -1.26 -4.28 135.00 122.03 1wvz n PRO 40 Ca 0.07 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1wvz n PRO 40 Cb 0.58 -1.17 -0.10 0.00 -0.04 0.00 0.00 33.50 32.78 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 -0.67 1.97 -3.26 0.54 1.56 -1.24 -5.08 117.12 110.94 1wvz n MET 41 Ca 0.07 -4.41 -0.39 0.00 -0.27 0.00 0.00 57.70 52.70 1wvz n MET 41 Cb 0.03 -2.17 -0.07 0.00 2.15 0.00 0.00 33.22 33.17 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 -1.81 4.19 -0.30 2.12 0.04 -1.26 -4.49 135.00 133.49 1wvz s PRO 42 Ca 0.33 0.39 0.03 0.00 0.04 0.00 0.00 61.00 61.79 1wvz s PRO 42 Cb 0.06 -3.56 0.08 0.00 0.04 0.00 0.00 34.50 31.12 1wvz s PRO 42 CO -0.10 -0.14 -0.01 0.95 0.04 0.00 0.00 177.00 177.74 1wvz s THR 43 N 1.61 2.03 0.09 1.26 -4.23 -0.92 -5.03 115.64 110.45 1wvz s THR 43 Ca 0.23 -1.91 0.08 0.00 -1.18 0.00 0.00 61.69 58.92 1wvz s THR 43 Cb -0.15 -2.36 -0.04 0.00 1.34 0.00 0.00 72.50 71.29 1wvz s THR 43 CO 0.09 -0.37 -0.18 0.00 -0.54 0.00 0.00 174.62 173.62 1wvz s MET 44 N 1.09 1.87 0.10 3.99 0.23 -1.26 0.18 119.30 125.50 1wvz s MET 44 Ca 0.03 -1.12 0.05 0.00 -1.03 0.00 0.00 55.69 53.61 1wvz s MET 44 Cb -0.19 -2.13 -0.04 0.00 -1.53 0.00 0.00 34.83 30.94 1wvz s MET 44 CO -0.08 0.50 0.04 1.03 -2.03 0.00 0.00 175.02 174.47 1wvz s ARG 45 N -1.90 2.66 -0.27 3.16 0.52 0.34 -4.92 118.95 118.55 1wvz s ARG 45 Ca 0.17 -0.82 -0.14 0.00 -0.52 0.00 0.00 55.73 54.42 1wvz s ARG 45 Cb -0.11 -2.59 -0.04 0.00 0.52 0.00 0.00 34.95 32.74 1wvz s ARG 45 CO 0.08 0.53 0.32 -0.46 0.02 0.00 0.00 175.30 175.79 1wvz s TRP 46 N -1.42 3.24 -0.14 -0.53 -0.00 -1.26 -2.53 118.94 116.31 1wvz s TRP 46 Ca 0.27 0.32 0.01 0.00 -0.00 0.00 0.00 56.10 56.71 1wvz s TRP 46 Cb -0.11 -2.51 0.02 0.00 -0.00 0.00 0.00 33.47 30.87 1wvz s TRP 46 CO 0.20 -0.20 -0.15 -0.51 -0.00 0.00 0.00 176.95 176.29 1wvz s LEU 47 N 1.95 1.72 -0.25 5.86 1.02 -0.95 -2.20 118.68 125.83 1wvz s LEU 47 Ca 0.13 -0.48 0.00 0.00 0.02 0.00 0.00 54.13 53.80 1wvz s LEU 47 Cb -0.16 -1.17 0.07 0.00 0.02 0.00 0.00 46.19 44.95 1wvz s LEU 47 CO 0.10 -0.03 -0.01 -1.59 0.02 0.00 0.00 176.35 174.84 1wvz s LYS 48 N 1.33 1.39 -1.49 1.70 -2.85 0.30 0.13 119.74 120.24 1wvz s LYS 48 Ca 0.02 -1.03 -0.04 0.00 -1.00 0.00 0.00 55.97 53.92 1wvz s LYS 48 Cb -0.13 -2.52 0.01 0.00 -2.06 0.00 0.00 37.83 33.12 1wvz s LYS 48 CO -0.08 -0.69 0.13 -1.71 0.10 0.00 0.00 175.35 173.10 1wvz n ASN 49 N 4.69 0.21 -0.08 0.03 2.85 -0.65 0.77 115.26 123.09 1wvz n ASN 49 Ca -0.09 -1.25 -0.01 0.00 -0.11 0.00 0.00 54.58 53.12 1wvz n ASN 49 Cb 0.44 -1.78 -0.00 0.00 1.24 0.00 0.00 39.78 39.67 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1wvz n GLY 50 N -2.46 0.43 3.27 8.20 0.00 -1.26 -5.04 105.19 108.33 1wvz n GLY 50 Ca -0.30 -1.01 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 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 -2.48 1.57 0.05 1.61 2.36 0.23 -5.14 119.74 117.94 1wvz s LYS 51 Ca 0.00 -0.96 0.05 0.00 -2.55 0.00 0.00 55.97 52.50 1wvz s LYS 51 Cb 0.00 -1.67 -0.04 0.00 -1.05 0.00 0.00 37.83 35.07 1wvz s LYS 51 CO 0.00 0.43 -0.06 -1.83 1.55 0.00 0.00 175.35 175.45 1wvz s GLU 52 N -1.08 2.45 -0.11 4.03 -1.05 -1.26 0.11 118.70 121.78 1wvz s GLU 52 Ca 0.09 -0.83 -0.02 0.00 -0.15 0.00 0.00 54.97 54.06 1wvz s GLU 52 Cb -0.09 -2.47 0.04 0.00 -0.44 0.00 0.00 34.13 31.17 1wvz s GLU 52 CO 0.01 0.56 0.04 0.12 0.95 0.00 0.00 175.26 176.94 1wvz s PHE 53 N -1.14 0.54 0.33 4.83 5.36 -0.94 -4.97 117.98 122.00 1wvz s PHE 53 Ca 0.21 -0.26 -0.27 0.00 -0.96 0.00 0.00 56.93 55.65 1wvz s PHE 53 Cb -0.11 -0.77 -0.09 0.00 -0.34 0.00 0.00 43.02 41.71 1wvz s PHE 53 CO 0.12 -0.40 1.05 0.15 -1.46 0.00 0.00 175.22 174.69 1wvz s LYS 54 N 2.02 4.44 0.62 10.12 1.02 -1.26 -4.12 119.74 132.58 1wvz s LYS 54 Ca 0.03 1.61 0.36 0.00 0.02 0.00 0.00 55.97 57.99 1wvz s LYS 54 Cb -0.14 -2.87 2.07 0.00 -0.52 0.00 0.00 37.83 36.37 1wvz s LYS 54 CO -0.06 0.08 2.30 0.37 -0.92 0.00 0.00 175.35 177.12 1wvz h GLN 55 N 3.19 0.00 -0.00 1.68 4.15 -2.00 0.14 115.11 122.27 1wvz h GLN 55 Ca -0.47 0.00 0.00 0.00 0.77 0.00 0.00 58.65 58.95 1wvz h GLN 55 Cb 1.21 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.90 1wvz h GLN 55 CO 0.65 0.01 -0.03 0.39 -1.93 0.00 0.00 178.83 177.91 1wvz n GLU 56 N -3.50 0.76 -3.71 1.69 4.71 -1.26 -4.74 120.64 114.59 1wvz n GLU 56 Ca -0.03 -0.13 -0.14 0.00 -0.01 0.00 0.00 57.16 56.85 1wvz n GLU 56 Cb 0.09 -1.50 -0.14 0.00 -1.01 0.00 0.00 31.44 28.87 1wvz n GLU 56 CO 0.00 0.00 0.00 -1.58 0.09 0.00 0.00 177.13 175.64 1wvz s HIS 57 N -2.32 -0.22 -0.16 -0.32 2.46 0.49 -5.15 115.29 110.06 1wvz s HIS 57 Ca 0.35 0.62 -0.22 0.00 0.47 0.00 0.00 55.06 56.28 1wvz s HIS 57 Cb 0.21 -0.12 0.06 0.00 -0.13 0.00 0.00 32.58 32.60 1wvz s HIS 57 CO 0.43 -0.23 0.58 1.03 -2.47 0.00 0.00 174.74 174.08 1wvz s ARG 58 N 1.68 0.77 -0.71 2.88 0.52 -1.26 -4.10 118.95 118.72 1wvz s ARG 58 Ca -0.04 0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 55.50 1wvz s ARG 58 Cb -0.12 0.37 -0.04 0.00 0.52 0.00 0.00 34.95 35.68 1wvz s ARG 58 CO -0.07 -0.15 1.96 0.42 0.02 0.00 0.00 175.30 177.49 1wvz s ILE 59 N -0.18 3.34 0.00 1.52 -1.09 -1.25 -2.35 121.20 121.19 1wvz s ILE 59 Ca -0.04 -0.02 0.00 0.00 -2.23 0.00 0.00 60.65 58.36 1wvz s ILE 59 Cb -0.03 -3.85 0.00 0.00 -1.58 0.00 0.00 42.46 37.00 1wvz s ILE 59 CO 0.03 -0.81 0.00 0.61 -1.23 0.00 0.00 174.94 173.54 1wvz n GLY 60 N 6.18 0.39 0.00 6.18 0.00 -1.26 -4.19 105.19 112.48 1wvz n GLY 60 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -2.00 1.31 3.16 -0.02 0.00 -0.99 -4.97 105.19 101.68 1wvz n GLY 61 Ca 0.00 -1.76 -0.14 0.00 0.00 0.00 0.00 46.02 44.12 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 -2.78 1.01 0.03 1.61 1.13 -1.26 -3.81 117.35 113.28 1wvz s TYR 62 Ca 0.00 -0.63 0.09 0.00 -1.41 0.00 0.00 57.07 55.11 1wvz s TYR 62 Cb 0.00 -0.56 -0.03 0.00 -1.10 0.00 0.00 41.96 40.27 1wvz s TYR 62 CO 0.00 -0.02 -0.25 0.21 -2.51 0.00 0.00 175.55 172.98 1wvz s LYS 63 N -2.60 1.75 -0.03 -3.49 2.47 -0.06 -4.96 119.74 112.83 1wvz s LYS 63 Ca 0.03 -1.04 0.01 0.00 -1.56 0.00 0.00 55.97 53.42 1wvz s LYS 63 Cb -0.04 -1.88 0.01 0.00 -1.46 0.00 0.00 37.83 34.47 1wvz s LYS 63 CO -0.00 0.49 -0.05 0.54 0.16 0.00 0.00 175.35 176.49 1wvz s VAL 64 N -0.76 0.49 -0.28 4.02 0.11 -1.26 0.14 120.40 122.85 1wvz s VAL 64 Ca 0.11 -0.15 -0.29 0.00 -2.93 0.00 0.00 61.98 58.72 1wvz s VAL 64 Cb -0.10 -0.49 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1wvz s VAL 64 CO 0.01 0.19 1.20 -0.60 -3.33 0.00 0.00 175.10 172.57 1wvz s ARG 65 N 0.59 4.04 2.70 1.54 6.06 0.24 -4.86 118.95 129.27 1wvz s ARG 65 Ca -0.08 1.26 0.00 0.00 -2.50 0.00 0.00 55.73 54.41 1wvz s ARG 65 Cb -0.11 -3.80 0.00 0.00 0.06 0.00 0.00 34.95 31.10 1wvz s ARG 65 CO -0.00 -0.95 0.00 0.09 -2.50 0.00 0.00 175.30 171.94 1wvz n ASN 66 N 7.12 -1.53 -0.93 -2.12 4.13 -1.26 -3.31 115.26 117.35 1wvz n ASN 66 Ca 0.13 0.00 0.11 0.00 1.68 0.00 0.00 54.58 56.51 1wvz n ASN 66 Cb 0.46 0.00 0.27 0.00 -1.54 0.00 0.00 39.78 38.97 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1wvz n GLN 67 N 0.00 2.21 0.00 3.52 1.13 -1.26 -4.86 117.38 118.13 1wvz n GLN 67 Ca 0.00 -1.84 0.00 0.00 -1.94 0.00 0.00 57.00 53.22 1wvz n GLN 67 Cb 0.00 -1.46 0.00 0.00 0.11 0.00 0.00 30.24 28.89 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 -1.44 0.00 0.00 177.06 173.23 1wvz n HIS 68 N 1.05 0.00 0.00 1.08 1.44 -1.21 -4.71 115.22 112.87 1wvz n HIS 68 Ca 0.18 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.89 1wvz n HIS 68 Cb 0.50 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.61 1wvz n HIS 68 CO 0.00 0.00 0.00 0.91 -2.81 0.00 0.00 176.34 174.44 1wvz n TRP 69 N 0.00 0.00 -4.26 -1.40 7.02 -1.25 -4.72 117.44 112.83 1wvz n TRP 69 Ca 0.00 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.29 1wvz n TRP 69 Cb 0.00 0.00 -0.11 0.00 -2.42 0.00 0.00 31.31 28.78 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 1wvz s SER 70 N -4.00 2.13 0.02 -0.99 1.04 -1.26 -1.25 113.70 109.40 1wvz s SER 70 Ca 0.00 -0.82 -0.06 0.00 0.48 0.00 0.00 55.95 55.55 1wvz s SER 70 Cb 0.00 -0.09 -0.01 0.00 0.10 0.00 0.00 66.02 66.03 1wvz s SER 70 CO 0.00 -0.12 0.10 -1.48 0.98 0.00 0.00 173.24 172.71 1wvz s LEU 71 N -2.50 1.76 -0.22 2.42 0.05 -0.70 0.80 118.68 120.29 1wvz s LEU 71 Ca 0.10 -0.42 0.01 0.00 0.05 0.00 0.00 54.13 53.87 1wvz s LEU 71 Cb -0.05 0.58 0.05 0.00 -2.05 0.00 0.00 46.19 44.72 1wvz s LEU 71 CO 0.04 -0.44 -0.10 -0.51 -0.55 0.00 0.00 176.35 174.79 1wvz s ILE 72 N -2.09 1.70 0.10 1.48 2.07 0.36 -1.80 121.20 123.03 1wvz s ILE 72 Ca -0.09 -1.15 0.05 0.00 -1.41 0.00 0.00 60.65 58.06 1wvz s ILE 72 Cb -0.04 -1.82 -0.04 0.00 0.13 0.00 0.00 42.46 40.69 1wvz s ILE 72 CO -0.02 0.09 -0.01 0.00 -1.91 0.00 0.00 174.94 173.09 1wvz s MET 73 N 1.35 2.49 -0.31 3.50 0.23 -0.26 -0.88 119.30 125.42 1wvz s MET 73 Ca -0.03 -0.89 -0.04 0.00 -1.03 0.00 0.00 55.69 53.70 1wvz s MET 73 Cb -0.17 -2.49 0.04 0.00 -1.53 0.00 0.00 34.83 30.67 1wvz s MET 73 CO -0.07 0.53 0.04 -2.00 -2.03 0.00 0.00 175.02 171.48 1wvz s GLU 74 N -2.39 2.57 -0.37 3.16 2.12 -1.25 0.91 118.70 123.45 1wvz s GLU 74 Ca 0.26 -1.19 0.03 0.00 0.36 0.00 0.00 54.97 54.42 1wvz s GLU 74 Cb -0.11 -3.28 0.11 0.00 0.26 0.00 0.00 34.13 31.10 1wvz s GLU 74 CO 0.18 -0.61 0.11 -1.54 -0.54 0.00 0.00 175.26 172.86 1wvz s SER 75 N 1.33 4.42 -0.15 -1.70 1.04 -1.25 -3.85 113.70 113.54 1wvz s SER 75 Ca -0.03 -2.20 -0.20 0.00 0.48 0.00 0.00 55.95 54.00 1wvz s SER 75 Cb -0.19 -1.39 -0.24 0.00 0.10 0.00 0.00 66.02 64.30 1wvz s SER 75 CO 0.00 -0.36 0.46 1.62 0.98 0.00 0.00 173.24 175.95 1wvz h VAL 76 N 6.29 1.10 0.06 5.02 3.04 -1.86 -3.31 116.25 126.59 1wvz h VAL 76 Ca -0.07 -2.31 -0.32 0.00 -1.01 0.00 0.00 66.70 62.99 1wvz h VAL 76 Cb 0.99 2.64 -0.03 0.00 -2.01 0.00 0.00 31.29 32.88 1wvz h VAL 76 CO 0.53 0.56 -1.79 0.52 -1.01 0.00 0.00 177.57 176.37 1wvz n VAL 77 N -4.20 1.66 0.15 1.51 0.31 -1.26 -4.06 118.33 112.44 1wvz n VAL 77 Ca -0.25 -0.40 0.07 0.00 -0.01 0.00 0.00 64.34 63.75 1wvz n VAL 77 Cb 0.76 -1.84 0.34 0.00 -0.91 0.00 0.00 33.84 32.18 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 -3.88 0.08 0.19 5.55 -0.02 -1.26 -2.53 135.00 133.13 1wvz n PRO 78 Ca -0.34 0.53 0.18 0.00 -2.02 0.00 0.00 63.50 61.85 1wvz n PRO 78 Cb 0.90 -1.74 0.75 0.00 -0.02 0.00 0.00 33.50 33.39 1wvz n PRO 78 CO 0.00 0.00 0.00 1.03 1.98 0.00 0.00 175.50 178.51 1wvz h SER 79 N 0.00 0.00 -1.22 2.55 0.87 -1.72 -1.71 113.55 112.33 1wvz h SER 79 Ca 0.00 0.00 0.38 0.00 -1.23 0.00 0.00 61.79 60.94 1wvz h SER 79 Cb 0.06 0.00 -0.12 0.00 -0.44 0.00 0.00 62.40 61.89 1wvz h SER 79 CO 0.00 0.00 0.78 -0.78 -0.53 0.00 0.00 176.83 176.30 1wvz h ASP 80 N 0.00 0.31 -3.64 6.23 1.82 -1.79 -3.30 116.42 116.05 1wvz h ASP 80 Ca 0.12 0.13 -0.69 0.00 -0.39 0.00 0.00 57.03 56.20 1wvz h ASP 80 Cb 0.97 0.10 -0.28 0.00 0.68 0.00 0.00 39.33 40.80 1wvz h ASP 80 CO -0.00 -0.12 -0.62 -1.59 -1.61 0.00 0.00 179.24 175.30 1wvz s LYS 81 N -5.38 2.80 -0.21 0.28 -2.85 -0.64 -4.98 119.74 108.77 1wvz s LYS 81 Ca -0.08 -1.05 0.10 0.00 -1.00 0.00 0.00 55.97 53.94 1wvz s LYS 81 Cb 0.29 -3.40 0.63 0.00 -2.06 0.00 0.00 37.83 33.29 1wvz s LYS 81 CO 0.81 -0.57 1.51 0.41 0.10 0.00 0.00 175.35 177.61 1wvz n GLY 82 N 4.82 2.82 3.47 0.59 0.00 -1.25 -4.84 105.19 110.81 1wvz n GLY 82 Ca -0.13 -0.74 -0.43 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.63 6.12 -0.19 1.61 2.47 -1.26 -1.74 114.94 121.33 1wvz s ASN 83 Ca 0.43 -0.84 -0.05 0.00 0.42 0.00 0.00 52.86 52.82 1wvz s ASN 83 Cb 0.33 -2.17 -0.03 0.00 -1.45 0.00 0.00 41.25 37.93 1wvz s ASN 83 CO 0.12 -0.46 0.00 -0.31 -3.72 0.00 0.00 177.10 172.73 1wvz s TYR 84 N 1.76 3.07 -0.13 0.43 2.02 -1.03 -1.63 117.35 121.83 1wvz s TYR 84 Ca 0.06 -0.33 0.03 0.00 -0.37 0.00 0.00 57.07 56.47 1wvz s TYR 84 Cb -0.19 -2.06 0.01 0.00 -0.40 0.00 0.00 41.96 39.32 1wvz s TYR 84 CO 0.11 -0.13 -0.22 0.95 -1.57 0.00 0.00 175.55 174.69 1wvz s THR 85 N 0.76 2.07 -0.33 -0.71 -4.23 0.12 0.01 115.64 113.32 1wvz s THR 85 Ca 0.00 -0.99 -0.12 0.00 -1.18 0.00 0.00 61.69 59.40 1wvz s THR 85 Cb -0.14 -1.82 -0.02 0.00 1.34 0.00 0.00 72.50 71.86 1wvz s THR 85 CO 0.02 0.55 0.23 0.00 -0.54 0.00 0.00 174.62 174.88 1wvz s VAL 87 N 1.72 3.79 -0.37 0.00 1.01 -1.05 -0.71 120.40 124.79 1wvz s VAL 87 Ca 0.06 -1.62 -0.16 0.00 0.00 0.00 0.00 61.98 60.26 1wvz s VAL 87 Cb -0.17 -3.39 0.00 0.00 0.00 0.00 0.00 36.38 32.81 1wvz s VAL 87 CO 0.10 -0.53 0.39 0.54 0.00 0.00 0.00 175.10 175.60 1wvz s VAL 88 N 1.31 5.14 0.11 2.92 0.11 -0.52 0.13 120.40 129.60 1wvz s VAL 88 Ca 0.04 -0.10 0.03 0.00 -2.93 0.00 0.00 61.98 59.02 1wvz s VAL 88 Cb -0.23 -3.90 -0.04 0.00 -1.53 0.00 0.00 36.38 30.68 1wvz s VAL 88 CO -0.00 -0.22 0.13 -0.70 -3.33 0.00 0.00 175.10 170.98 1wvz s GLU 89 N 2.06 2.99 0.32 1.54 2.12 0.48 -1.32 118.70 126.89 1wvz s GLU 89 Ca 0.12 -0.71 0.03 0.00 0.36 0.00 0.00 54.97 54.76 1wvz s GLU 89 Cb -0.17 -2.75 -0.02 0.00 0.26 0.00 0.00 34.13 31.45 1wvz s GLU 89 CO 0.12 0.54 0.34 0.54 -0.54 0.00 0.00 175.26 176.26 1wvz s ASN 90 N -2.71 1.23 0.25 -1.70 2.20 0.21 -2.16 114.94 112.25 1wvz s ASN 90 Ca 0.31 -1.61 0.23 0.00 -0.94 0.00 0.00 52.86 50.85 1wvz s ASN 90 Cb -0.11 0.58 0.96 0.00 -2.00 0.00 0.00 41.25 40.68 1wvz s ASN 90 CO 0.24 -1.13 1.71 1.21 -2.94 0.00 0.00 177.10 176.19 1wvz n GLU 91 N -0.56 0.19 0.00 3.55 2.13 -1.26 -2.45 120.64 122.24 1wvz n GLU 91 Ca 0.04 0.40 0.09 0.00 0.66 0.00 0.00 57.16 58.36 1wvz n GLU 91 Cb 0.62 -1.86 0.01 0.00 0.27 0.00 0.00 31.44 30.48 1wvz n GLU 91 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1wvz n TYR 92 N -2.22 0.00 0.00 4.31 9.36 -1.26 -5.04 117.16 122.31 1wvz n TYR 92 Ca 0.02 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1wvz n TYR 92 Cb 0.24 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.95 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1wvz n GLY 93 N 1.23 1.70 3.08 2.98 0.00 -1.02 -5.00 105.19 108.16 1wvz n GLY 93 Ca 0.08 -1.33 -0.23 0.00 0.00 0.00 0.00 46.02 44.55 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 1.67 0.19 1.61 1.04 -1.26 0.63 113.70 117.57 1wvz s SER 94 Ca 0.00 -0.26 0.11 0.00 0.48 0.00 0.00 55.95 56.27 1wvz s SER 94 Cb 0.00 -0.34 -0.04 0.00 0.10 0.00 0.00 66.02 65.73 1wvz s SER 94 CO 0.00 0.14 -0.22 -0.63 0.98 0.00 0.00 173.24 173.50 1wvz s ILE 95 N -0.07 2.20 -0.02 -1.02 1.01 -0.44 -4.97 121.20 117.89 1wvz s ILE 95 Ca 0.00 -2.00 0.06 0.00 0.00 0.00 0.00 60.65 58.71 1wvz s ILE 95 Cb -0.08 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.34 1wvz s ILE 95 CO 0.01 -0.18 -0.19 0.54 0.00 0.00 0.00 174.94 175.12 1wvz s ASN 96 N -2.67 2.30 -0.03 3.58 2.20 -1.26 -1.44 114.94 117.61 1wvz s ASN 96 Ca 0.19 -0.36 0.01 0.00 -0.94 0.00 0.00 52.86 51.77 1wvz s ASN 96 Cb -0.07 -0.33 0.02 0.00 -2.00 0.00 0.00 41.25 38.86 1wvz s ASN 96 CO 0.09 0.23 -0.04 -1.00 -2.94 0.00 0.00 177.10 173.44 1wvz s HIS 97 N -0.37 0.57 0.01 1.54 0.09 0.11 -4.98 115.29 112.26 1wvz s HIS 97 Ca 0.05 -0.12 0.01 0.00 -0.00 0.00 0.00 55.06 55.00 1wvz s HIS 97 Cb -0.08 -0.50 -0.04 0.00 -0.00 0.00 0.00 32.58 31.96 1wvz s HIS 97 CO -0.00 -0.12 0.03 0.99 -0.00 0.00 0.00 174.74 175.64 1wvz s THR 98 N 0.62 4.33 -0.02 1.30 2.01 -1.26 0.67 115.64 123.29 1wvz s THR 98 Ca -0.07 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1wvz s THR 98 Cb -0.11 -2.96 0.02 0.00 0.01 0.00 0.00 72.50 69.46 1wvz s THR 98 CO -0.00 0.35 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.96 1wvz s TYR 99 N -1.14 0.27 -0.60 4.92 2.02 0.10 -4.97 117.35 117.95 1wvz s TYR 99 Ca 0.21 -0.01 -0.27 0.00 -0.37 0.00 0.00 57.07 56.64 1wvz s TYR 99 Cb -0.12 -0.32 0.03 0.00 -0.40 0.00 0.00 41.96 41.16 1wvz s TYR 99 CO 0.12 -0.09 1.14 -1.01 -1.57 0.00 0.00 175.55 174.15 1wvz s HIS 100 N 0.69 2.60 -0.07 2.71 3.76 -1.26 -2.47 115.29 121.24 1wvz s HIS 100 Ca -0.07 0.21 0.03 0.00 -0.15 0.00 0.00 55.06 55.08 1wvz s HIS 100 Cb -0.10 -4.43 0.01 0.00 1.11 0.00 0.00 32.58 29.17 1wvz s HIS 100 CO -0.01 -1.62 -0.17 -0.51 -0.85 0.00 0.00 174.74 171.58 1wvz s LEU 101 N 4.83 1.84 0.03 0.89 1.02 -0.71 -2.90 118.68 123.68 1wvz s LEU 101 Ca 0.38 -0.40 0.05 0.00 0.02 0.00 0.00 54.13 54.18 1wvz s LEU 101 Cb -0.09 -1.05 -0.03 0.00 0.02 0.00 0.00 46.19 45.03 1wvz s LEU 101 CO 0.22 0.10 -0.09 -0.62 0.02 0.00 0.00 176.35 175.98 1wvz s ASP 102 N 0.45 4.46 0.16 2.29 -1.08 0.71 -4.10 116.67 119.56 1wvz s ASP 102 Ca -0.14 -0.24 -0.25 0.00 -0.52 0.00 0.00 52.55 51.39 1wvz s ASP 102 Cb -0.16 -0.96 -0.08 0.00 -1.46 0.00 0.00 42.92 40.26 1wvz s ASP 102 CO 0.05 0.25 0.77 -0.69 0.52 0.00 0.00 175.17 176.07 1wvz s VAL 103 N -1.05 4.40 -0.24 1.11 1.01 -1.26 -1.17 120.40 123.20 1wvz s VAL 103 Ca 0.18 1.69 0.02 0.00 0.00 0.00 0.00 61.98 63.87 1wvz s VAL 103 Cb -0.11 -4.13 0.02 0.00 0.00 0.00 0.00 36.38 32.15 1wvz s VAL 103 CO 0.09 0.51 0.56 0.52 0.00 0.00 0.00 175.10 176.79