#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 -4.55 6.41 5.03 -1.26 -4.95 115.26 115.93 1wvz n ASN 5 Ca 0.00 0.00 -0.40 0.00 0.87 0.00 0.00 54.58 55.05 1wvz n ASN 5 Cb 0.00 0.00 -0.09 0.00 -1.02 0.00 0.00 39.78 38.67 1wvz n ASN 5 CO 0.00 0.00 0.00 -1.59 -1.83 0.00 0.00 177.26 173.84 1wvz s LYS 6 N 2.90 3.65 -0.04 3.52 0.00 -1.26 -3.80 119.74 124.71 1wvz s LYS 6 Ca 0.00 -0.35 -0.01 0.00 0.00 0.00 0.00 55.97 55.61 1wvz s LYS 6 Cb 0.00 -3.78 0.03 0.00 0.00 0.00 0.00 37.83 34.08 1wvz s LYS 6 CO 0.00 -0.47 0.02 1.03 0.00 0.00 0.00 175.35 175.93 1wvz s ARG 7 N 2.00 0.29 -0.04 1.78 3.00 -1.26 -4.16 118.95 120.55 1wvz s ARG 7 Ca 0.12 0.16 -0.33 0.00 0.00 0.00 0.00 55.73 55.68 1wvz s ARG 7 Cb -0.16 -0.62 -0.16 0.00 0.00 0.00 0.00 34.95 34.00 1wvz s ARG 7 CO 0.11 -0.23 0.92 0.00 0.00 0.00 0.00 175.30 176.10 1wvz n ALA 8 N 4.70 -2.87 -2.72 2.13 0.00 -1.26 -2.73 120.51 117.77 1wvz n ALA 8 Ca -0.15 0.48 -0.38 0.00 0.00 0.00 0.00 53.44 53.38 1wvz n ALA 8 Cb 0.50 -1.45 -0.06 0.00 0.00 0.00 0.00 19.45 18.45 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 0.26 4.36 -0.19 0.00 0.04 -1.26 -4.61 135.00 133.59 1wvz s PRO 9 Ca 0.75 0.57 -0.26 0.00 0.04 0.00 0.00 61.00 62.11 1wvz s PRO 9 Cb -1.05 -3.45 -0.01 0.00 0.04 0.00 0.00 34.50 30.03 1wvz s PRO 9 CO 0.49 0.12 0.88 0.71 0.04 0.00 0.00 177.00 179.24 1wvz s TYR 10 N 0.72 3.39 0.12 0.56 2.02 0.45 -4.60 117.35 120.01 1wvz s TYR 10 Ca 0.29 1.29 -0.35 0.00 -0.37 0.00 0.00 57.07 57.93 1wvz s TYR 10 Cb -0.16 -3.08 -0.15 0.00 -0.40 0.00 0.00 41.96 38.16 1wvz s TYR 10 CO 0.12 -0.32 1.43 -2.67 -1.57 0.00 0.00 175.55 172.54 1wvz n TRP 11 N 5.60 1.82 -0.09 2.71 4.27 -1.26 -0.60 117.44 129.89 1wvz n TRP 11 Ca 0.06 0.49 -0.10 0.00 -3.89 0.00 0.00 57.50 54.06 1wvz n TRP 11 Cb 0.48 -2.42 -0.04 0.00 -1.36 0.00 0.00 31.31 27.98 1wvz n TRP 11 CO 0.00 0.00 0.00 2.41 -2.29 0.00 0.00 177.69 177.81 1wvz n THR 12 N 2.83 1.48 -3.62 -1.67 -1.04 -1.01 -4.83 114.28 106.43 1wvz n THR 12 Ca 0.18 0.11 -0.37 0.00 -2.04 0.00 0.00 64.05 61.93 1wvz n THR 12 Cb 0.23 -2.31 -0.07 0.00 -1.82 0.00 0.00 70.33 66.37 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 -6.04 6.48 0.12 8.00 0.01 -1.26 -5.04 114.94 117.20 1wvz s ASN 13 Ca -0.25 0.56 -0.31 0.00 -0.71 0.00 0.00 52.86 52.15 1wvz s ASN 13 Cb 0.04 -2.16 -0.09 0.00 0.41 0.00 0.00 41.25 39.45 1wvz s ASN 13 CO 0.37 0.22 1.60 0.42 -1.51 0.00 0.00 177.10 178.20 1wvz s THR 14 N -0.17 2.83 -0.59 1.60 -4.23 -1.26 -4.70 115.64 109.12 1wvz s THR 14 Ca 0.17 0.48 0.25 0.00 -1.18 0.00 0.00 61.69 61.42 1wvz s THR 14 Cb -0.13 -3.31 0.30 0.00 1.34 0.00 0.00 72.50 70.70 1wvz s THR 14 CO 0.05 0.02 1.74 -0.33 -0.54 0.00 0.00 174.62 175.56 1wvz h GLU 15 N 7.46 0.00 0.00 3.99 5.08 -1.94 -2.89 114.58 126.29 1wvz h GLU 15 Ca -0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.93 1wvz h GLU 15 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 1wvz h GLU 15 CO 0.92 0.00 0.00 -0.22 -1.00 0.00 0.00 179.01 178.71 1wvz h LYS 16 N 0.00 0.00 -0.25 2.33 3.64 -1.95 -1.14 116.57 119.20 1wvz h LYS 16 Ca 0.00 0.00 -0.09 0.00 -1.27 0.00 0.00 60.65 59.29 1wvz h LYS 16 Cb 0.76 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.53 1wvz h LYS 16 CO 0.00 0.00 -0.08 -1.33 -2.27 0.00 0.00 179.45 175.77 1wvz n MET 17 N -2.96 2.06 0.00 1.90 2.81 -1.09 -4.59 117.12 115.25 1wvz n MET 17 Ca 0.01 -3.01 0.00 0.00 -1.81 0.00 0.00 57.70 52.89 1wvz n MET 17 Cb 0.29 -1.77 0.00 0.00 -0.71 0.00 0.00 33.22 31.04 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 -0.99 0.00 0.00 0.03 4.07 -1.03 -5.02 120.64 117.70 1wvz n GLU 18 Ca 0.26 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 1wvz n GLU 18 Cb 0.91 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 32.29 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 0.00 0.00 0.00 5.31 3.00 -0.46 -4.75 118.16 121.26 1wvz n LYS 19 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1wvz n LYS 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.03 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 -0.62 0.00 -2.20 1.64 1.85 -1.10 -4.26 116.66 111.97 1wvz n ARG 20 Ca 0.00 0.00 -0.42 0.00 -1.00 0.00 0.00 57.85 56.43 1wvz n ARG 20 Cb 0.00 -0.28 -0.02 0.00 -1.05 0.00 0.00 32.46 31.10 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 0.00 3.51 0.31 2.89 0.20 -1.14 -1.83 118.68 122.61 1wvz s LEU 21 Ca 0.00 0.90 0.03 0.00 0.69 0.00 0.00 54.13 55.76 1wvz s LEU 21 Cb 0.00 -3.39 -0.04 0.00 -0.43 0.00 0.00 46.19 42.33 1wvz s LEU 21 CO 0.00 -1.65 0.17 -1.00 -0.29 0.00 0.00 176.35 173.59 1wvz s HIS 22 N 6.34 1.60 -0.23 5.38 3.76 -1.08 -4.96 115.29 126.11 1wvz s HIS 22 Ca 0.68 -1.41 0.00 0.00 -0.15 0.00 0.00 55.06 54.18 1wvz s HIS 22 Cb -0.16 -0.84 0.03 0.00 1.11 0.00 0.00 32.58 32.72 1wvz s HIS 22 CO 0.31 -0.56 -0.11 0.00 -0.85 0.00 0.00 174.74 173.52 1wvz s ALA 23 N -3.60 2.56 -0.43 -1.40 0.00 -1.26 -2.44 121.76 115.19 1wvz s ALA 23 Ca 0.36 -1.44 -0.12 0.00 0.00 0.00 0.00 51.96 50.76 1wvz s ALA 23 Cb 0.05 -1.51 0.06 0.00 0.00 0.00 0.00 23.12 21.72 1wvz s ALA 23 CO 0.18 -0.73 0.30 0.54 0.00 0.00 0.00 175.76 176.06 1wvz s VAL 24 N 1.27 4.78 0.01 0.00 0.11 -1.01 -4.98 120.40 120.58 1wvz s VAL 24 Ca 0.00 -1.08 -0.30 0.00 -2.93 0.00 0.00 61.98 57.67 1wvz s VAL 24 Cb -0.16 -3.81 -0.06 0.00 -1.53 0.00 0.00 36.38 30.82 1wvz s VAL 24 CO -0.07 -0.45 1.38 -2.16 -3.33 0.00 0.00 175.10 170.47 1wvz s PRO 25 N 1.56 4.30 0.34 1.54 0.04 -1.26 -2.53 135.00 138.98 1wvz s PRO 25 Ca 0.03 1.95 -0.29 0.00 0.04 0.00 0.00 61.00 62.74 1wvz s PRO 25 Cb -0.22 -3.53 -0.11 0.00 0.04 0.00 0.00 34.50 30.68 1wvz s PRO 25 CO 0.06 -0.54 1.52 0.00 0.04 0.00 0.00 177.00 178.07 1wvz s ALA 26 N 2.21 3.63 -1.14 8.56 0.00 -1.01 -2.07 121.76 131.94 1wvz s ALA 26 Ca 0.63 1.56 0.00 0.00 0.00 0.00 0.00 51.96 54.15 1wvz s ALA 26 Cb -0.32 -3.62 0.00 0.00 0.00 0.00 0.00 23.12 19.19 1wvz s ALA 26 CO 0.27 -1.01 0.00 0.00 0.00 0.00 0.00 175.76 175.02 1wvz n ALA 27 N 1.12 -0.18 -2.53 0.00 0.00 -1.24 -5.01 120.51 112.68 1wvz n ALA 27 Ca 0.04 0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.40 1wvz n ALA 27 Cb 0.39 -1.32 -0.11 0.00 0.00 0.00 0.00 19.45 18.41 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 -2.85 3.20 0.35 0.00 -0.87 -0.88 -4.83 114.94 109.06 1wvz s ASN 28 Ca 0.00 -1.32 -0.25 0.00 -1.57 0.00 0.00 52.86 49.72 1wvz s ASN 28 Cb 0.00 -0.26 -0.10 0.00 -0.02 0.00 0.00 41.25 40.87 1wvz s ASN 28 CO 0.00 -0.45 0.95 0.42 -2.57 0.00 0.00 177.10 175.45 1wvz s THR 29 N -2.93 4.21 -0.20 1.60 -4.23 -1.26 -3.24 115.64 109.59 1wvz s THR 29 Ca 0.34 1.74 -0.10 0.00 -1.18 0.00 0.00 61.69 62.49 1wvz s THR 29 Cb 0.08 -3.92 -0.05 0.00 1.34 0.00 0.00 72.50 69.95 1wvz s THR 29 CO 0.16 0.05 0.13 -0.69 -0.54 0.00 0.00 174.62 173.73 1wvz s VAL 30 N -1.72 5.41 -0.28 2.29 1.01 0.42 -4.87 120.40 122.67 1wvz s VAL 30 Ca 0.53 0.19 -0.19 0.00 0.00 0.00 0.00 61.98 62.50 1wvz s VAL 30 Cb -0.17 -3.46 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 1wvz s VAL 30 CO 0.22 0.45 0.58 -0.75 0.00 0.00 0.00 175.10 175.60 1wvz s LYS 31 N 0.28 4.01 -0.22 2.72 2.36 -1.26 -1.30 119.74 126.32 1wvz s LYS 31 Ca 0.08 0.35 -0.03 0.00 -2.55 0.00 0.00 55.97 53.82 1wvz s LYS 31 Cb -0.11 -3.68 -0.01 0.00 -1.05 0.00 0.00 37.83 32.98 1wvz s LYS 31 CO -0.02 -0.45 -0.06 0.12 1.55 0.00 0.00 175.35 176.50 1wvz s PHE 32 N 2.45 2.94 -0.12 4.03 2.19 0.15 -5.02 117.98 124.60 1wvz s PHE 32 Ca 0.24 -1.00 -0.01 0.00 0.33 0.00 0.00 56.93 56.48 1wvz s PHE 32 Cb -0.15 -2.09 -0.02 0.00 -1.31 0.00 0.00 43.02 39.44 1wvz s PHE 32 CO 0.10 -0.57 -0.08 1.03 1.83 0.00 0.00 175.22 177.53 1wvz s ARG 33 N 1.46 3.35 -0.42 10.12 3.00 -1.26 -0.87 118.95 134.33 1wvz s ARG 33 Ca 0.06 -0.58 0.08 0.00 0.00 0.00 0.00 55.73 55.29 1wvz s ARG 33 Cb -0.14 -2.74 0.35 0.00 0.00 0.00 0.00 34.95 32.42 1wvz s ARG 33 CO -0.04 0.34 1.10 0.00 0.00 0.00 0.00 175.30 176.70 1wvz s PRO 35 N -0.38 4.14 -0.26 0.00 0.04 -1.12 -4.20 135.00 133.22 1wvz s PRO 35 Ca 0.25 2.61 -0.01 0.00 0.04 0.00 0.00 61.00 63.89 1wvz s PRO 35 Cb 0.33 -4.00 0.13 0.00 0.04 0.00 0.00 34.50 31.00 1wvz s PRO 35 CO -0.06 -0.92 0.30 0.00 0.04 0.00 0.00 177.00 176.35 1wvz s ALA 36 N 3.98 -0.54 0.02 8.56 0.00 -1.26 -2.39 121.76 130.13 1wvz s ALA 36 Ca 0.86 0.00 -0.30 0.00 0.00 0.00 0.00 51.96 52.52 1wvz s ALA 36 Cb -0.44 -1.69 -0.05 0.00 0.00 0.00 0.00 23.12 20.94 1wvz s ALA 36 CO 0.40 -1.54 1.23 0.20 0.00 0.00 0.00 175.76 176.04 1wvz s GLY 37 N 2.39 2.24 0.00 0.00 0.00 0.23 -4.53 107.32 107.65 1wvz s GLY 37 Ca 0.09 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1wvz s GLY 37 CO -0.26 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.61 1wvz n GLY 38 N 3.32 2.28 3.80 0.20 0.00 -1.26 0.17 105.19 113.70 1wvz n GLY 38 Ca 0.10 -0.20 -0.29 0.00 0.00 0.00 0.00 46.02 45.63 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 3.12 0.00 1.61 0.02 -1.10 -4.93 114.94 115.66 1wvz s ASN 39 Ca 0.00 0.75 0.19 0.00 -1.02 0.00 0.00 52.86 52.78 1wvz s ASN 39 Cb 0.00 -1.16 1.11 0.00 0.02 0.00 0.00 41.25 41.22 1wvz s ASN 39 CO 0.00 -2.77 1.58 -0.81 0.02 0.00 0.00 177.10 175.12 1wvz n PRO 40 N -3.88 0.79 -3.60 -0.60 -0.04 -1.26 -4.19 135.00 122.22 1wvz n PRO 40 Ca 0.09 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.28 1wvz n PRO 40 Cb 0.59 -1.37 -0.10 0.00 -0.04 0.00 0.00 33.50 32.59 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 -0.87 1.95 -3.45 0.54 1.56 -1.25 -5.06 117.12 110.54 1wvz n MET 41 Ca 0.14 -4.39 -0.38 0.00 -0.27 0.00 0.00 57.70 52.80 1wvz n MET 41 Cb 0.06 -2.15 -0.08 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 -1.80 4.11 -0.17 2.12 0.04 -1.26 -4.34 135.00 133.70 1wvz s PRO 42 Ca 0.33 0.05 -0.07 0.00 0.04 0.00 0.00 61.00 61.35 1wvz s PRO 42 Cb 0.07 -3.56 -0.04 0.00 0.04 0.00 0.00 34.50 31.00 1wvz s PRO 42 CO -0.10 -0.07 0.05 0.99 0.04 0.00 0.00 177.00 177.91 1wvz s THR 43 N 1.42 4.66 -0.00 1.26 2.01 -0.70 -4.95 115.64 119.34 1wvz s THR 43 Ca 0.15 -0.08 0.01 0.00 0.31 0.00 0.00 61.69 62.08 1wvz s THR 43 Cb -0.15 -3.08 -0.00 0.00 0.01 0.00 0.00 72.50 69.28 1wvz s THR 43 CO 0.08 0.48 -0.03 0.00 -0.69 0.00 0.00 174.62 174.45 1wvz s MET 44 N 0.28 0.26 0.00 4.92 0.23 -1.26 0.16 119.30 123.88 1wvz s MET 44 Ca 0.03 -0.10 0.01 0.00 -1.03 0.00 0.00 55.69 54.60 1wvz s MET 44 Cb -0.13 -0.26 -0.04 0.00 -1.53 0.00 0.00 34.83 32.88 1wvz s MET 44 CO 0.01 0.06 0.02 1.03 -2.03 0.00 0.00 175.02 174.10 1wvz s ARG 45 N -0.02 2.84 -0.22 3.16 0.52 0.21 -4.93 118.95 120.51 1wvz s ARG 45 Ca 0.01 -0.59 -0.03 0.00 -0.52 0.00 0.00 55.73 54.59 1wvz s ARG 45 Cb -0.02 -2.71 -0.00 0.00 0.52 0.00 0.00 34.95 32.74 1wvz s ARG 45 CO -0.00 0.63 -0.05 -1.58 0.02 0.00 0.00 175.30 174.31 1wvz s TRP 46 N -1.12 2.95 -0.09 -0.53 0.51 -1.26 -2.44 118.94 116.97 1wvz s TRP 46 Ca 0.21 -1.01 0.01 0.00 -2.12 0.00 0.00 56.10 53.19 1wvz s TRP 46 Cb -0.12 -2.09 0.02 0.00 -0.81 0.00 0.00 33.47 30.47 1wvz s TRP 46 CO 0.11 -0.57 -0.12 -0.51 -0.51 0.00 0.00 176.95 175.35 1wvz s LEU 47 N 1.46 1.55 -0.21 2.99 1.02 -1.05 -2.57 118.68 121.87 1wvz s LEU 47 Ca 0.05 -0.33 0.01 0.00 0.02 0.00 0.00 54.13 53.88 1wvz s LEU 47 Cb -0.14 -0.89 0.05 0.00 0.02 0.00 0.00 46.19 45.23 1wvz s LEU 47 CO -0.04 -0.01 -0.07 -1.59 0.02 0.00 0.00 176.35 174.66 1wvz s LYS 48 N 0.99 1.75 -1.46 1.70 -2.85 0.42 -0.40 119.74 119.89 1wvz s LYS 48 Ca -0.08 -0.86 -0.11 0.00 -1.00 0.00 0.00 55.97 53.92 1wvz s LYS 48 Cb -0.15 -2.43 0.07 0.00 -2.06 0.00 0.00 37.83 33.26 1wvz s LYS 48 CO -0.00 -0.51 0.76 -1.71 0.10 0.00 0.00 175.35 173.99 1wvz n ASN 49 N 4.71 -4.68 0.00 0.03 2.85 -0.01 -0.13 115.26 118.04 1wvz n ASN 49 Ca -0.13 -0.57 0.00 0.00 -0.11 0.00 0.00 54.58 53.76 1wvz n ASN 49 Cb 0.46 -3.78 0.00 0.00 1.24 0.00 0.00 39.78 37.70 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 -1.49 0.61 3.43 8.20 0.00 -1.26 -5.04 105.19 109.63 1wvz n GLY 50 Ca 0.00 -0.07 -0.33 0.00 0.00 0.00 0.00 46.02 45.62 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 -0.34 2.80 -0.02 1.61 2.36 0.81 -5.12 119.74 121.85 1wvz s LYS 51 Ca 0.00 -0.70 0.01 0.00 -2.55 0.00 0.00 55.97 52.73 1wvz s LYS 51 Cb 0.00 -2.45 -0.04 0.00 -1.05 0.00 0.00 37.83 34.29 1wvz s LYS 51 CO 0.00 0.48 0.01 -1.83 1.55 0.00 0.00 175.35 175.55 1wvz s GLU 52 N -0.34 2.85 -0.06 4.03 1.03 -1.26 0.16 118.70 125.10 1wvz s GLU 52 Ca 0.03 -0.56 -0.02 0.00 0.03 0.00 0.00 54.97 54.45 1wvz s GLU 52 Cb -0.13 -2.71 0.03 0.00 -0.80 0.00 0.00 34.13 30.53 1wvz s GLU 52 CO 0.02 0.64 0.04 -0.59 -1.33 0.00 0.00 175.26 174.05 1wvz s PHE 53 N -1.06 0.27 0.35 4.83 -0.12 -1.06 -5.00 117.98 116.19 1wvz s PHE 53 Ca 0.19 0.08 -0.26 0.00 -0.05 0.00 0.00 56.93 56.89 1wvz s PHE 53 Cb -0.12 -0.60 -0.09 0.00 -0.63 0.00 0.00 43.02 41.58 1wvz s PHE 53 CO 0.09 -0.25 1.05 0.15 -0.05 0.00 0.00 175.22 176.20 1wvz s LYS 54 N 2.10 4.38 0.61 1.99 1.02 -1.26 -4.54 119.74 124.05 1wvz s LYS 54 Ca 0.05 1.57 0.36 0.00 0.02 0.00 0.00 55.97 57.97 1wvz s LYS 54 Cb -0.12 -2.80 2.02 0.00 -0.52 0.00 0.00 37.83 36.41 1wvz s LYS 54 CO -0.04 0.04 2.28 -0.56 -0.92 0.00 0.00 175.35 176.15 1wvz h GLN 55 N 3.04 0.00 0.00 1.68 3.07 -1.99 -0.60 115.11 120.30 1wvz h GLN 55 Ca -0.47 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.23 1wvz h GLN 55 Cb 1.21 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.77 1wvz h GLN 55 CO 0.64 0.01 -0.15 1.05 0.09 0.00 0.00 178.83 180.48 1wvz h GLU 56 N 0.00 0.00 -3.28 0.06 4.11 -2.00 -3.43 114.58 110.04 1wvz h GLU 56 Ca -0.00 0.00 -0.29 0.00 0.07 0.00 0.00 59.36 59.14 1wvz h GLU 56 Cb 0.05 0.00 -0.34 0.00 0.50 0.00 0.00 28.75 28.95 1wvz h GLU 56 CO 0.00 0.15 -0.66 -1.58 0.07 0.00 0.00 179.01 176.99 1wvz s HIS 57 N -3.78 -0.09 0.03 2.06 2.46 -0.23 -5.04 115.29 110.70 1wvz s HIS 57 Ca -0.00 0.41 -0.03 0.00 0.47 0.00 0.00 55.06 55.90 1wvz s HIS 57 Cb 0.11 -0.23 -0.02 0.00 -0.13 0.00 0.00 32.58 32.31 1wvz s HIS 57 CO 0.60 -0.18 0.03 1.03 -2.47 0.00 0.00 174.74 173.75 1wvz s ARG 58 N 1.62 0.48 -0.74 2.88 0.52 -1.26 -4.03 118.95 118.42 1wvz s ARG 58 Ca -0.04 -0.75 -0.26 0.00 -0.52 0.00 0.00 55.73 54.17 1wvz s ARG 58 Cb -0.12 0.18 -0.04 0.00 0.52 0.00 0.00 34.95 35.49 1wvz s ARG 58 CO -0.05 -0.10 1.97 0.42 0.02 0.00 0.00 175.30 177.56 1wvz s ILE 59 N -2.32 3.35 0.00 1.52 -1.09 -1.24 -2.37 121.20 119.05 1wvz s ILE 59 Ca -0.08 -0.07 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 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 -0.04 -0.81 0.00 0.61 -1.23 0.00 0.00 174.94 173.48 1wvz n GLY 60 N 6.29 1.05 0.00 6.18 0.00 -1.26 -4.07 105.19 113.38 1wvz n GLY 60 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.94 2.48 2.90 -0.02 0.00 -1.00 -4.97 105.19 102.63 1wvz n GLY 61 Ca 0.00 -1.74 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 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 -1.74 -0.13 -0.02 1.61 1.13 -1.26 -3.88 117.35 113.06 1wvz s TYR 62 Ca 0.00 0.42 -0.01 0.00 -1.41 0.00 0.00 57.07 56.07 1wvz s TYR 62 Cb 0.00 -0.11 0.02 0.00 -1.10 0.00 0.00 41.96 40.77 1wvz s TYR 62 CO 0.00 -0.15 0.04 0.15 -2.51 0.00 0.00 175.55 173.08 1wvz s LYS 63 N 1.16 -0.00 -0.01 -3.49 1.02 -1.01 -5.09 119.74 112.32 1wvz s LYS 63 Ca -0.09 0.16 0.01 0.00 0.02 0.00 0.00 55.97 56.06 1wvz s LYS 63 Cb -0.12 -0.15 0.01 0.00 -0.52 0.00 0.00 37.83 37.05 1wvz s LYS 63 CO -0.05 -0.11 -0.02 0.14 -0.92 0.00 0.00 175.35 174.38 1wvz s VAL 64 N 0.73 0.23 -0.29 3.17 -7.23 -1.26 -1.18 120.40 114.57 1wvz s VAL 64 Ca -0.06 -0.07 -0.29 0.00 -1.81 0.00 0.00 61.98 59.76 1wvz s VAL 64 Cb -0.08 -0.23 -0.00 0.00 0.56 0.00 0.00 36.38 36.62 1wvz s VAL 64 CO -0.02 0.09 1.38 -0.60 -0.31 0.00 0.00 175.10 175.64 1wvz s ARG 65 N 0.27 3.87 0.00 4.82 3.52 -1.00 -4.58 118.95 125.85 1wvz s ARG 65 Ca -0.02 1.33 0.00 0.00 -0.13 0.00 0.00 55.73 56.91 1wvz s ARG 65 Cb -0.05 -3.92 0.00 0.00 -1.56 0.00 0.00 34.95 29.42 1wvz s ARG 65 CO -0.01 -1.18 0.00 0.09 -0.81 0.00 0.00 175.30 173.40 1wvz n ASN 66 N 7.86 0.00 0.00 -2.12 4.13 -1.26 -3.15 115.26 120.72 1wvz n ASN 66 Ca 0.16 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.42 1wvz n ASN 66 Cb 0.46 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.70 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 0.00 -3.10 3.52 6.02 -1.26 -5.16 117.38 117.40 1wvz n GLN 67 Ca 0.00 0.00 -0.12 0.00 -0.01 0.00 0.00 57.00 56.87 1wvz n GLN 67 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 -1.01 0.00 0.00 177.06 173.66 1wvz n HIS 68 N -1.58 0.13 0.00 1.08 1.44 -1.19 -4.94 115.22 110.16 1wvz n HIS 68 Ca 0.00 -1.18 0.00 0.00 -2.01 0.00 0.00 57.72 54.53 1wvz n HIS 68 Cb 0.00 -0.02 0.00 0.00 0.12 0.00 0.00 29.99 30.09 1wvz n HIS 68 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1wvz n TRP 69 N -0.44 0.00 -4.57 -1.40 -0.00 -1.26 -4.70 117.44 105.07 1wvz n TRP 69 Ca -0.04 0.00 -0.25 0.00 -0.00 0.00 0.00 57.50 57.22 1wvz n TRP 69 Cb 0.28 0.00 -0.14 0.00 -0.00 0.00 0.00 31.31 31.45 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1wvz s SER 70 N -1.73 2.35 -0.08 5.87 0.01 -1.26 -1.86 113.70 117.01 1wvz s SER 70 Ca 0.00 -0.52 -0.03 0.00 1.31 0.00 0.00 55.95 56.71 1wvz s SER 70 Cb 0.00 -0.19 0.04 0.00 0.21 0.00 0.00 66.02 66.09 1wvz s SER 70 CO 0.00 0.13 0.15 -1.48 0.41 0.00 0.00 173.24 172.45 1wvz s LEU 71 N -1.22 0.24 -0.15 2.44 2.34 -0.05 -2.39 118.68 119.90 1wvz s LEU 71 Ca 0.06 0.31 -0.02 0.00 0.06 0.00 0.00 54.13 54.54 1wvz s LEU 71 Cb -0.09 0.29 -0.02 0.00 -0.56 0.00 0.00 46.19 45.81 1wvz s LEU 71 CO 0.02 -0.21 -0.08 -0.51 -1.06 0.00 0.00 176.35 174.51 1wvz s ILE 72 N 1.86 3.47 0.07 1.48 2.07 -0.32 -0.67 121.20 129.15 1wvz s ILE 72 Ca -0.02 -0.51 0.08 0.00 -1.41 0.00 0.00 60.65 58.80 1wvz s ILE 72 Cb -0.12 -2.50 -0.03 0.00 0.13 0.00 0.00 42.46 39.94 1wvz s ILE 72 CO -0.06 0.50 -0.22 0.00 -1.91 0.00 0.00 174.94 173.25 1wvz s MET 73 N 0.48 1.33 -0.27 3.50 0.23 -0.42 -2.39 119.30 121.76 1wvz s MET 73 Ca -0.06 -1.07 -0.16 0.00 -1.03 0.00 0.00 55.69 53.37 1wvz s MET 73 Cb -0.15 -1.53 -0.03 0.00 -1.53 0.00 0.00 34.83 31.58 1wvz s MET 73 CO 0.04 0.38 0.43 -2.00 -2.03 0.00 0.00 175.02 171.83 1wvz s GLU 74 N -1.51 4.03 -0.34 3.16 2.12 -1.25 0.16 118.70 125.06 1wvz s GLU 74 Ca 0.08 0.14 0.00 0.00 0.36 0.00 0.00 54.97 55.55 1wvz s GLU 74 Cb -0.09 -3.66 0.11 0.00 0.26 0.00 0.00 34.13 30.75 1wvz s GLU 74 CO 0.03 -0.31 0.13 -1.12 -0.54 0.00 0.00 175.26 173.45 1wvz s SER 75 N 1.61 3.91 -0.15 -1.70 0.01 -1.20 -3.66 113.70 112.52 1wvz s SER 75 Ca 0.17 -1.90 -0.06 0.00 1.31 0.00 0.00 55.95 55.48 1wvz s SER 75 Cb -0.16 -0.90 -0.24 0.00 0.21 0.00 0.00 66.02 64.94 1wvz s SER 75 CO 0.10 -0.38 0.23 1.33 0.41 0.00 0.00 173.24 174.93 1wvz n VAL 76 N 4.51 1.71 -0.12 3.43 0.24 -1.26 -3.82 118.33 123.03 1wvz n VAL 76 Ca 0.01 -0.61 -0.25 0.00 -2.04 0.00 0.00 64.34 61.46 1wvz n VAL 76 Cb 0.40 -1.69 -0.11 0.00 -1.47 0.00 0.00 33.84 30.97 1wvz n VAL 76 CO 0.00 0.00 0.00 0.52 -2.14 0.00 0.00 176.83 175.21 1wvz n VAL 77 N -3.49 1.53 0.20 3.34 0.31 -1.26 -3.71 118.33 115.25 1wvz n VAL 77 Ca -0.35 -0.14 0.11 0.00 -0.01 0.00 0.00 64.34 63.95 1wvz n VAL 77 Cb 1.02 -1.99 0.56 0.00 -0.91 0.00 0.00 33.84 32.52 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 -4.37 0.15 0.16 5.55 -0.02 -1.26 -2.46 135.00 132.75 1wvz n PRO 78 Ca -0.40 0.60 0.19 0.00 -2.02 0.00 0.00 63.50 61.87 1wvz n PRO 78 Cb 0.75 -1.94 0.75 0.00 -0.02 0.00 0.00 33.50 33.04 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 -0.38 2.55 0.87 -1.74 0.51 113.55 115.36 1wvz h SER 79 Ca 0.00 0.00 0.11 0.00 -1.23 0.00 0.00 61.79 60.67 1wvz h SER 79 Cb 0.06 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 62.01 1wvz h SER 79 CO 0.00 0.00 0.28 -0.78 -0.53 0.00 0.00 176.83 175.80 1wvz h ASP 80 N 0.00 0.00 -3.46 6.23 3.58 -1.78 -3.34 116.42 117.65 1wvz h ASP 80 Ca 0.14 0.00 -0.67 0.00 0.42 0.00 0.00 57.03 56.92 1wvz h ASP 80 Cb 1.02 0.00 -0.17 0.00 1.72 0.00 0.00 39.33 41.90 1wvz h ASP 80 CO -0.00 0.00 0.03 -0.54 -2.88 0.00 0.00 179.24 175.85 1wvz s LYS 81 N -5.01 3.19 -0.81 0.28 1.02 0.18 -4.84 119.74 113.74 1wvz s LYS 81 Ca -0.05 -0.62 -0.01 0.00 0.02 0.00 0.00 55.97 55.30 1wvz s LYS 81 Cb 0.19 -4.00 0.36 0.00 -0.52 0.00 0.00 37.83 33.85 1wvz s LYS 81 CO 0.71 -1.05 1.94 0.41 -0.92 0.00 0.00 175.35 176.44 1wvz n GLY 82 N 5.10 5.57 2.96 -3.33 0.00 -1.26 -4.89 105.19 109.35 1wvz n GLY 82 Ca -0.04 -2.51 -0.29 0.00 0.00 0.00 0.00 46.02 43.17 1wvz n GLY 82 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1wvz s ASN 83 N -1.31 3.02 -0.13 1.61 -0.87 -1.26 -0.81 114.94 115.19 1wvz s ASN 83 Ca 0.51 -0.71 0.01 0.00 -1.57 0.00 0.00 52.86 51.11 1wvz s ASN 83 Cb 0.43 -1.10 0.02 0.00 -0.02 0.00 0.00 41.25 40.58 1wvz s ASN 83 CO -0.39 -0.14 -0.15 -0.31 -2.57 0.00 0.00 177.10 173.54 1wvz s TYR 84 N 1.50 2.05 -0.13 2.20 1.51 -0.99 -0.83 117.35 122.67 1wvz s TYR 84 Ca 0.01 -1.05 0.01 0.00 -1.01 0.00 0.00 57.07 55.03 1wvz s TYR 84 Cb -0.15 -1.50 0.02 0.00 -0.11 0.00 0.00 41.96 40.22 1wvz s TYR 84 CO -0.09 -0.56 -0.13 -0.08 -1.11 0.00 0.00 175.55 173.58 1wvz s THR 85 N 1.20 1.45 -0.34 -0.71 -1.32 0.46 0.79 115.64 117.18 1wvz s THR 85 Ca -0.02 -0.57 -0.13 0.00 -1.21 0.00 0.00 61.69 59.77 1wvz s THR 85 Cb -0.14 -1.36 -0.01 0.00 -1.51 0.00 0.00 72.50 69.47 1wvz s THR 85 CO -0.05 0.44 0.23 0.00 -2.21 0.00 0.00 174.62 173.03 1wvz s VAL 87 N 1.71 3.64 -0.37 0.00 1.01 -1.02 -0.63 120.40 124.73 1wvz s VAL 87 Ca 0.06 -1.60 -0.16 0.00 0.00 0.00 0.00 61.98 60.28 1wvz s VAL 87 Cb -0.17 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.93 1wvz s VAL 87 CO 0.10 -0.47 0.37 0.54 0.00 0.00 0.00 175.10 175.64 1wvz s VAL 88 N 1.29 5.16 0.10 2.92 0.11 -0.70 0.68 120.40 129.96 1wvz s VAL 88 Ca 0.03 -0.12 0.02 0.00 -2.93 0.00 0.00 61.98 58.98 1wvz s VAL 88 Cb -0.22 -3.88 -0.04 0.00 -1.53 0.00 0.00 36.38 30.71 1wvz s VAL 88 CO -0.01 -0.19 0.17 -0.70 -3.33 0.00 0.00 175.10 171.05 1wvz s GLU 89 N 2.01 3.20 0.33 1.54 -6.30 0.43 -1.64 118.70 118.26 1wvz s GLU 89 Ca 0.11 -0.60 0.04 0.00 -2.50 0.00 0.00 54.97 52.02 1wvz s GLU 89 Cb -0.17 -2.88 -0.02 0.00 0.00 0.00 0.00 34.13 31.06 1wvz s GLU 89 CO 0.12 0.56 0.33 0.54 0.02 0.00 0.00 175.26 176.84 1wvz s ASN 90 N -2.69 1.45 0.20 -1.70 2.20 0.23 -1.73 114.94 112.90 1wvz s ASN 90 Ca 0.33 -1.68 0.22 0.00 -0.94 0.00 0.00 52.86 50.78 1wvz s ASN 90 Cb -0.12 0.59 0.90 0.00 -2.00 0.00 0.00 41.25 40.61 1wvz s ASN 90 CO 0.26 -1.13 1.66 1.21 -2.94 0.00 0.00 177.10 176.15 1wvz n GLU 91 N -0.60 0.15 -0.06 3.55 2.13 -1.26 -2.54 120.64 122.00 1wvz n GLU 91 Ca 0.06 0.37 0.07 0.00 0.66 0.00 0.00 57.16 58.31 1wvz n GLU 91 Cb 0.62 -1.78 0.09 0.00 0.27 0.00 0.00 31.44 30.64 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 -2.07 0.17 0.00 4.31 9.36 -1.26 -5.02 117.16 122.65 1wvz n TYR 92 Ca 0.03 -0.16 0.00 0.00 3.32 0.00 0.00 57.90 61.09 1wvz n TYR 92 Cb 0.22 -0.01 0.00 0.00 -0.63 0.00 0.00 39.34 38.93 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 0.72 1.63 3.05 2.98 0.00 -1.05 -4.97 105.19 107.55 1wvz n GLY 93 Ca 0.09 -1.32 -0.24 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 1.70 0.19 1.61 1.04 -1.26 0.76 113.70 117.74 1wvz s SER 94 Ca 0.00 -0.28 0.11 0.00 0.48 0.00 0.00 55.95 56.26 1wvz s SER 94 Cb 0.00 -0.56 -0.04 0.00 0.10 0.00 0.00 66.02 65.52 1wvz s SER 94 CO 0.00 0.09 -0.22 -0.63 0.98 0.00 0.00 173.24 173.46 1wvz s ILE 95 N 0.28 2.49 -0.01 -1.02 1.01 -0.65 -4.98 121.20 118.32 1wvz s ILE 95 Ca -0.07 -1.95 0.05 0.00 0.00 0.00 0.00 60.65 58.68 1wvz s ILE 95 Cb -0.12 -2.20 -0.01 0.00 0.01 0.00 0.00 42.46 40.14 1wvz s ILE 95 CO 0.02 -0.10 -0.16 0.20 0.00 0.00 0.00 174.94 174.90 1wvz s ASN 96 N -2.66 1.88 -0.03 3.58 0.01 -1.26 -1.72 114.94 114.74 1wvz s ASN 96 Ca 0.21 -0.29 0.01 0.00 -0.71 0.00 0.00 52.86 52.08 1wvz s ASN 96 Cb -0.08 -0.21 0.02 0.00 0.41 0.00 0.00 41.25 41.39 1wvz s ASN 96 CO 0.10 0.19 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.86 1wvz s HIS 97 N -0.38 0.52 -0.03 2.20 3.76 0.20 -4.96 115.29 116.59 1wvz s HIS 97 Ca 0.06 -0.10 0.01 0.00 -0.15 0.00 0.00 55.06 54.88 1wvz s HIS 97 Cb -0.06 -0.48 -0.03 0.00 1.11 0.00 0.00 32.58 33.12 1wvz s HIS 97 CO -0.01 -0.12 -0.03 0.99 -0.85 0.00 0.00 174.74 174.72 1wvz s THR 98 N 0.69 3.96 0.01 1.30 2.01 -1.26 0.39 115.64 122.74 1wvz s THR 98 Ca -0.08 -0.57 0.01 0.00 0.31 0.00 0.00 61.69 61.36 1wvz s THR 98 Cb -0.11 -2.71 -0.01 0.00 0.01 0.00 0.00 72.50 69.68 1wvz s THR 98 CO -0.01 0.46 -0.04 -0.31 -0.69 0.00 0.00 174.62 174.03 1wvz s TYR 99 N -0.98 0.37 -0.45 4.92 2.02 0.24 -4.80 117.35 118.67 1wvz s TYR 99 Ca 0.17 -0.22 -0.09 0.00 -0.37 0.00 0.00 57.07 56.55 1wvz s TYR 99 Cb -0.11 -0.24 0.10 0.00 -0.40 0.00 0.00 41.96 41.31 1wvz s TYR 99 CO 0.07 -0.05 0.31 -1.01 -1.57 0.00 0.00 175.55 173.30 1wvz s HIS 100 N -0.57 3.38 0.11 2.71 3.76 -0.76 -2.34 115.29 121.58 1wvz s HIS 100 Ca -0.04 -1.70 0.01 0.00 -0.15 0.00 0.00 55.06 53.18 1wvz s HIS 100 Cb -0.04 -3.25 -0.04 0.00 1.11 0.00 0.00 32.58 30.35 1wvz s HIS 100 CO -0.00 -0.93 0.27 -0.51 -0.85 0.00 0.00 174.74 172.72 1wvz s LEU 101 N 1.40 4.33 -0.05 0.89 1.02 0.01 -2.64 118.68 123.64 1wvz s LEU 101 Ca 0.04 0.27 0.06 0.00 0.02 0.00 0.00 54.13 54.52 1wvz s LEU 101 Cb -0.25 -2.98 -0.01 0.00 0.02 0.00 0.00 46.19 42.97 1wvz s LEU 101 CO 0.01 0.10 -0.25 -1.81 0.02 0.00 0.00 176.35 174.41 1wvz s ASP 102 N -2.85 3.01 -0.13 2.29 1.01 -1.02 -4.42 116.67 114.56 1wvz s ASP 102 Ca 0.36 -0.49 -0.29 0.00 0.71 0.00 0.00 52.55 52.83 1wvz s ASP 102 Cb -0.12 -0.72 -0.02 0.00 1.01 0.00 0.00 42.92 43.07 1wvz s ASP 102 CO 0.28 0.26 1.15 -0.69 0.21 0.00 0.00 175.17 176.37 1wvz s VAL 103 N -0.25 4.45 0.00 -1.27 1.01 -1.26 -2.41 120.40 120.68 1wvz s VAL 103 Ca -0.01 1.75 0.00 0.00 0.00 0.00 0.00 61.98 63.73 1wvz s VAL 103 Cb -0.13 -4.13 0.00 0.00 0.00 0.00 0.00 36.38 32.12 1wvz s VAL 103 CO 0.03 -0.07 0.49 1.33 0.00 0.00 0.00 175.10 176.88