#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 -4.60 6.41 4.13 -1.26 -4.94 115.26 115.00 1wvz n ASN 5 Ca 0.00 0.00 -0.38 0.00 1.68 0.00 0.00 54.58 55.88 1wvz n ASN 5 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1wvz n ASN 5 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1wvz s LYS 6 N 3.53 3.99 -0.04 3.52 0.00 -1.26 -3.89 119.74 125.59 1wvz s LYS 6 Ca 0.00 -0.15 -0.01 0.00 0.00 0.00 0.00 55.97 55.81 1wvz s LYS 6 Cb 0.00 -3.64 0.03 0.00 0.00 0.00 0.00 37.83 34.21 1wvz s LYS 6 CO 0.00 -0.20 0.04 1.03 0.00 0.00 0.00 175.35 176.22 1wvz s ARG 7 N 1.82 0.06 -0.37 1.78 3.00 -1.26 -4.24 118.95 119.73 1wvz s ARG 7 Ca 0.11 0.26 -0.35 0.00 0.00 0.00 0.00 55.73 55.75 1wvz s ARG 7 Cb -0.16 -0.49 -0.15 0.00 0.00 0.00 0.00 34.95 34.15 1wvz s ARG 7 CO 0.10 -0.26 1.22 0.00 0.00 0.00 0.00 175.30 176.36 1wvz n ALA 8 N 4.84 -0.92 -2.69 2.13 0.00 -1.26 -2.75 120.51 119.87 1wvz n ALA 8 Ca -0.13 0.35 -0.40 0.00 0.00 0.00 0.00 53.44 53.27 1wvz n ALA 8 Cb 0.50 -1.43 -0.05 0.00 0.00 0.00 0.00 19.45 18.47 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 2.39 4.30 0.06 0.00 0.04 -1.26 -4.69 135.00 135.84 1wvz s PRO 9 Ca 0.79 0.66 -0.26 0.00 0.04 0.00 0.00 61.00 62.23 1wvz s PRO 9 Cb -1.11 -3.51 -0.05 0.00 0.04 0.00 0.00 34.50 29.86 1wvz s PRO 9 CO 0.60 -0.08 0.81 1.52 0.04 0.00 0.00 177.00 179.89 1wvz s TYR 10 N 1.36 3.75 0.19 0.56 -0.85 0.46 -4.55 117.35 118.27 1wvz s TYR 10 Ca 0.31 1.55 -0.33 0.00 -0.52 0.00 0.00 57.07 58.08 1wvz s TYR 10 Cb -0.16 -2.88 -0.14 0.00 0.38 0.00 0.00 41.96 39.16 1wvz s TYR 10 CO 0.12 0.25 1.42 -2.67 -1.52 0.00 0.00 175.55 173.15 1wvz n TRP 11 N 2.86 2.03 -0.10 -3.49 2.14 -1.26 0.16 117.44 119.78 1wvz n TRP 11 Ca -0.01 0.43 -0.17 0.00 2.07 0.00 0.00 57.50 59.82 1wvz n TRP 11 Cb 0.50 -2.45 -0.08 0.00 -0.81 0.00 0.00 31.31 28.47 1wvz n TRP 11 CO 0.00 0.00 0.00 -2.37 2.07 0.00 0.00 177.69 177.39 1wvz n THR 12 N 2.35 1.08 -3.89 -1.67 5.66 -1.03 -4.75 114.28 112.03 1wvz n THR 12 Ca 0.14 -0.34 -0.35 0.00 -3.05 0.00 0.00 64.05 60.45 1wvz n THR 12 Cb 0.29 -1.47 -0.09 0.00 -1.55 0.00 0.00 70.33 67.50 1wvz n THR 12 CO 0.00 0.00 0.00 0.20 -3.05 0.00 0.00 175.07 172.22 1wvz s ASN 13 N -6.31 5.84 -0.08 1.09 -0.87 -1.26 -5.06 114.94 108.29 1wvz s ASN 13 Ca -0.27 0.13 -0.30 0.00 -1.57 0.00 0.00 52.86 50.86 1wvz s ASN 13 Cb 0.09 -2.01 -0.05 0.00 -0.02 0.00 0.00 41.25 39.25 1wvz s ASN 13 CO 0.39 0.17 1.63 -0.89 -2.57 0.00 0.00 177.10 175.82 1wvz s THR 14 N 0.43 3.64 -0.68 1.60 2.01 -1.26 -4.80 115.64 116.57 1wvz s THR 14 Ca 0.05 0.77 0.26 0.00 0.31 0.00 0.00 61.69 63.07 1wvz s THR 14 Cb -0.12 -3.51 0.28 0.00 0.01 0.00 0.00 72.50 69.16 1wvz s THR 14 CO -0.00 -0.08 1.76 -1.84 -0.69 0.00 0.00 174.62 173.77 1wvz n GLU 15 N 7.15 0.24 0.13 4.92 0.28 -1.26 -2.73 120.64 129.37 1wvz n GLU 15 Ca 0.17 0.26 0.12 0.00 -0.16 0.00 0.00 57.16 57.55 1wvz n GLU 15 Cb 0.43 -1.81 0.49 0.00 1.43 0.00 0.00 31.44 31.98 1wvz n GLU 15 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1wvz n LYS 16 N -2.24 0.21 -0.28 3.44 4.81 -1.26 -0.65 118.16 122.20 1wvz n LYS 16 Ca 0.05 0.42 0.08 0.00 -0.87 0.00 0.00 58.31 57.99 1wvz n LYS 16 Cb 0.38 -1.88 0.17 0.00 0.02 0.00 0.00 35.03 33.72 1wvz n LYS 16 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 1wvz n MET 17 N -2.27 1.52 0.00 1.64 2.81 -1.10 -4.69 117.12 115.03 1wvz n MET 17 Ca 0.02 -2.83 0.00 0.00 -1.81 0.00 0.00 57.70 53.09 1wvz n MET 17 Cb 0.24 -1.57 0.00 0.00 -0.71 0.00 0.00 33.22 31.18 1wvz n MET 17 CO 0.00 0.00 0.00 -0.85 1.51 0.00 0.00 175.97 176.63 1wvz n GLU 18 N -1.27 0.00 0.00 0.03 0.28 -1.05 -5.03 120.64 113.61 1wvz n GLU 18 Ca 0.18 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.18 1wvz n GLU 18 Cb 0.69 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.56 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1wvz n LYS 19 N 0.00 0.00 -1.30 3.44 0.00 0.18 -4.71 118.16 115.77 1wvz n LYS 19 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 58.31 58.07 1wvz n LYS 19 Cb 0.00 -0.08 -0.10 0.00 0.00 0.00 0.00 35.03 34.85 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 -1.61 2.73 -3.09 1.64 1.85 -1.04 -4.79 116.66 112.35 1wvz n ARG 20 Ca 0.00 -1.85 -0.45 0.00 -1.00 0.00 0.00 57.85 54.55 1wvz n ARG 20 Cb 0.00 -2.26 -0.03 0.00 -1.05 0.00 0.00 32.46 29.12 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 -0.76 5.57 0.62 2.89 2.96 -1.24 -4.71 118.68 124.02 1wvz s LEU 21 Ca 0.64 -1.94 0.27 0.00 -0.22 0.00 0.00 54.13 52.88 1wvz s LEU 21 Cb 0.29 -2.32 1.37 0.00 0.50 0.00 0.00 46.19 46.03 1wvz s LEU 21 CO -0.08 -0.98 1.78 1.12 -1.32 0.00 0.00 176.35 176.88 1wvz h HIS 22 N 8.73 0.00 -3.52 5.38 2.07 -1.79 -3.38 115.15 122.64 1wvz h HIS 22 Ca -0.04 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.88 1wvz h HIS 22 Cb 1.05 0.00 -0.11 0.00 2.57 0.00 0.00 27.41 30.92 1wvz h HIS 22 CO 1.01 0.00 0.58 0.00 -3.07 0.00 0.00 177.93 176.45 1wvz s ALA 23 N -4.39 3.21 -0.06 6.11 0.00 -1.26 0.16 121.76 125.52 1wvz s ALA 23 Ca -0.03 -0.93 0.03 0.00 0.00 0.00 0.00 51.96 51.02 1wvz s ALA 23 Cb 0.12 -3.68 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1wvz s ALA 23 CO 0.42 -2.17 -0.14 0.54 0.00 0.00 0.00 175.76 174.40 1wvz s VAL 24 N 3.84 1.27 0.00 0.00 0.11 -0.60 -4.90 120.40 120.13 1wvz s VAL 24 Ca 0.35 -0.57 -0.30 0.00 -2.93 0.00 0.00 61.98 58.52 1wvz s VAL 24 Cb -0.11 -1.14 -0.05 0.00 -1.53 0.00 0.00 36.38 33.55 1wvz s VAL 24 CO 0.24 0.38 1.31 -2.16 -3.33 0.00 0.00 175.10 171.54 1wvz s PRO 25 N 0.51 4.33 0.37 1.54 0.04 -1.26 -1.15 135.00 139.38 1wvz s PRO 25 Ca -0.13 1.86 -0.27 0.00 0.04 0.00 0.00 61.00 62.50 1wvz s PRO 25 Cb -0.15 -3.50 -0.09 0.00 0.04 0.00 0.00 34.50 30.79 1wvz s PRO 25 CO 0.04 -0.47 1.24 0.00 0.04 0.00 0.00 177.00 177.85 1wvz s ALA 26 N 2.01 3.30 -1.30 8.56 0.00 -0.76 -2.74 121.76 130.83 1wvz s ALA 26 Ca 0.61 1.12 0.00 0.00 0.00 0.00 0.00 51.96 53.69 1wvz s ALA 26 Cb -0.30 -3.44 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1wvz s ALA 26 CO 0.26 -0.62 0.00 0.00 0.00 0.00 0.00 175.76 175.40 1wvz n ALA 27 N 0.39 -0.28 -2.53 0.00 0.00 -1.26 -5.00 120.51 111.84 1wvz n ALA 27 Ca 0.02 0.17 -0.25 0.00 0.00 0.00 0.00 53.44 53.39 1wvz n ALA 27 Cb 0.44 -1.53 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 3.23 0.31 0.00 -0.87 -1.11 -4.87 114.94 108.96 1wvz s ASN 28 Ca 0.00 -1.31 -0.27 0.00 -1.57 0.00 0.00 52.86 49.71 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 -0.44 0.94 0.42 -2.57 0.00 0.00 177.10 175.46 1wvz s THR 29 N -2.91 4.18 -0.22 1.60 -4.23 -1.26 -3.43 115.64 109.36 1wvz s THR 29 Ca 0.34 1.88 -0.14 0.00 -1.18 0.00 0.00 61.69 62.59 1wvz s THR 29 Cb 0.07 -4.08 -0.04 0.00 1.34 0.00 0.00 72.50 69.79 1wvz s THR 29 CO 0.16 0.22 0.31 -0.69 -0.54 0.00 0.00 174.62 174.08 1wvz s VAL 30 N -1.53 5.25 -0.26 2.29 1.01 0.43 -4.90 120.40 122.70 1wvz s VAL 30 Ca 0.48 0.51 -0.23 0.00 0.00 0.00 0.00 61.98 62.74 1wvz s VAL 30 Cb -0.20 -3.65 -0.01 0.00 0.00 0.00 0.00 36.38 32.53 1wvz s VAL 30 CO 0.25 0.27 0.78 -0.75 0.00 0.00 0.00 175.10 175.66 1wvz s LYS 31 N 1.32 4.10 -0.20 2.72 2.36 -1.26 -1.39 119.74 127.39 1wvz s LYS 31 Ca 0.15 0.77 -0.01 0.00 -2.55 0.00 0.00 55.97 54.32 1wvz s LYS 31 Cb -0.14 -3.67 0.01 0.00 -1.05 0.00 0.00 37.83 32.98 1wvz s LYS 31 CO 0.07 -0.55 -0.13 0.12 1.55 0.00 0.00 175.35 176.41 1wvz s PHE 32 N 2.82 2.88 -0.16 4.03 2.19 -0.39 -4.96 117.98 124.40 1wvz s PHE 32 Ca 0.33 -1.41 -0.04 0.00 0.33 0.00 0.00 56.93 56.13 1wvz s PHE 32 Cb -0.15 -2.00 -0.03 0.00 -1.31 0.00 0.00 43.02 39.53 1wvz s PHE 32 CO 0.09 -0.71 -0.03 1.03 1.83 0.00 0.00 175.22 177.43 1wvz s ARG 33 N 1.35 3.71 -0.37 10.12 3.00 -1.26 -0.39 118.95 135.11 1wvz s ARG 33 Ca 0.04 -0.50 0.12 0.00 0.00 0.00 0.00 55.73 55.40 1wvz s ARG 33 Cb -0.14 -2.95 0.41 0.00 0.00 0.00 0.00 34.95 32.27 1wvz s ARG 33 CO -0.09 0.25 1.19 0.00 0.00 0.00 0.00 175.30 176.65 1wvz s PRO 35 N -1.03 4.42 -0.08 0.00 0.04 -0.89 -4.45 135.00 133.00 1wvz s PRO 35 Ca 0.24 1.68 -0.03 0.00 0.04 0.00 0.00 61.00 62.93 1wvz s PRO 35 Cb 0.42 -3.45 0.05 0.00 0.04 0.00 0.00 34.50 31.56 1wvz s PRO 35 CO -0.04 -0.30 0.12 0.00 0.04 0.00 0.00 177.00 176.82 1wvz s ALA 36 N 1.51 0.02 0.01 8.56 0.00 -1.26 -2.45 121.76 128.15 1wvz s ALA 36 Ca 0.57 0.33 -0.30 0.00 0.00 0.00 0.00 51.96 52.56 1wvz s ALA 36 Cb -0.26 -0.80 -0.05 0.00 0.00 0.00 0.00 23.12 22.00 1wvz s ALA 36 CO 0.26 -0.64 1.26 0.20 0.00 0.00 0.00 175.76 176.85 1wvz s GLY 37 N 2.24 2.14 0.00 0.00 0.00 0.42 -4.50 107.32 107.62 1wvz s GLY 37 Ca 0.04 0.80 0.00 0.00 0.00 0.00 0.00 44.72 45.56 1wvz s GLY 37 CO -0.06 2.23 0.00 0.61 0.00 0.00 0.00 173.10 175.89 1wvz n GLY 38 N 3.39 1.71 3.92 0.20 0.00 -1.26 0.17 105.19 113.33 1wvz n GLY 38 Ca 0.11 -0.02 -0.28 0.00 0.00 0.00 0.00 46.02 45.82 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 4.12 0.00 1.61 0.02 -1.11 -4.96 114.94 116.62 1wvz s ASN 39 Ca 0.00 0.50 0.03 0.00 -1.02 0.00 0.00 52.86 52.37 1wvz s ASN 39 Cb 0.00 -0.87 0.19 0.00 0.02 0.00 0.00 41.25 40.59 1wvz s ASN 39 CO 0.00 -2.11 1.13 -0.81 0.02 0.00 0.00 177.10 175.33 1wvz n PRO 40 N -3.36 1.03 -3.57 -0.60 -0.04 -1.26 -4.33 135.00 122.87 1wvz n PRO 40 Ca 0.11 -0.04 -0.27 0.00 -0.04 0.00 0.00 63.50 63.25 1wvz n PRO 40 Cb 0.60 -1.06 -0.10 0.00 -0.04 0.00 0.00 33.50 32.91 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 -0.51 1.93 -3.60 0.54 1.56 -1.25 -5.06 117.12 110.73 1wvz n MET 41 Ca 0.03 -4.36 -0.36 0.00 -0.27 0.00 0.00 57.70 52.74 1wvz n MET 41 Cb 0.02 -2.13 -0.08 0.00 2.15 0.00 0.00 33.22 33.19 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 4.22 -0.27 2.12 0.04 -1.26 -4.42 135.00 133.63 1wvz s PRO 42 Ca 0.33 -0.02 0.03 0.00 0.04 0.00 0.00 61.00 61.38 1wvz s PRO 42 Cb 0.07 -3.44 0.07 0.00 0.04 0.00 0.00 34.50 31.24 1wvz s PRO 42 CO -0.09 0.23 -0.08 0.99 0.04 0.00 0.00 177.00 178.09 1wvz s THR 43 N 0.52 2.16 0.15 1.26 2.01 -0.91 -5.00 115.64 115.83 1wvz s THR 43 Ca 0.13 -1.75 0.10 0.00 0.31 0.00 0.00 61.69 60.48 1wvz s THR 43 Cb -0.12 -2.34 -0.04 0.00 0.01 0.00 0.00 72.50 70.01 1wvz s THR 43 CO 0.02 -0.14 -0.22 0.00 -0.69 0.00 0.00 174.62 173.59 1wvz s MET 44 N 1.08 1.61 0.05 4.92 0.23 -1.26 0.17 119.30 126.09 1wvz s MET 44 Ca -0.05 -1.34 0.07 0.00 -1.03 0.00 0.00 55.69 53.34 1wvz s MET 44 Cb -0.20 -1.98 -0.03 0.00 -1.53 0.00 0.00 34.83 31.09 1wvz s MET 44 CO -0.06 0.44 -0.19 1.03 -2.03 0.00 0.00 175.02 174.22 1wvz s ARG 45 N -2.33 2.02 -0.26 3.16 0.52 0.23 -4.93 118.95 117.37 1wvz s ARG 45 Ca 0.18 -1.01 -0.08 0.00 -0.52 0.00 0.00 55.73 54.30 1wvz s ARG 45 Cb -0.09 -2.17 -0.03 0.00 0.52 0.00 0.00 34.95 33.18 1wvz s ARG 45 CO 0.09 0.53 0.10 -1.58 0.02 0.00 0.00 175.30 174.46 1wvz s TRP 46 N -0.94 3.12 -0.05 -0.53 0.51 -1.26 -2.55 118.94 117.24 1wvz s TRP 46 Ca 0.15 -0.36 -0.00 0.00 -2.12 0.00 0.00 56.10 53.76 1wvz s TRP 46 Cb -0.10 -2.28 0.03 0.00 -0.81 0.00 0.00 33.47 30.30 1wvz s TRP 46 CO 0.05 -0.34 -0.02 -1.17 -0.51 0.00 0.00 176.95 174.96 1wvz s LEU 47 N 1.64 0.99 -0.15 2.99 2.96 -0.89 -2.55 118.68 123.67 1wvz s LEU 47 Ca 0.06 -0.10 0.00 0.00 -0.22 0.00 0.00 54.13 53.88 1wvz s LEU 47 Cb -0.16 -0.41 0.03 0.00 0.50 0.00 0.00 46.19 46.15 1wvz s LEU 47 CO 0.05 -0.12 -0.12 -1.59 -1.32 0.00 0.00 176.35 173.25 1wvz s LYS 48 N 1.38 2.04 -0.61 1.98 -2.85 0.39 0.17 119.74 122.24 1wvz s LYS 48 Ca -0.04 -0.51 -0.01 0.00 -1.00 0.00 0.00 55.97 54.41 1wvz s LYS 48 Cb -0.13 -2.01 0.01 0.00 -2.06 0.00 0.00 37.83 33.64 1wvz s LYS 48 CO -0.03 -0.27 0.04 -1.71 0.10 0.00 0.00 175.35 173.48 1wvz n ASN 49 N 4.81 -2.57 0.00 0.03 2.85 1.00 0.14 115.26 121.51 1wvz n ASN 49 Ca -0.15 0.27 0.00 0.00 -0.11 0.00 0.00 54.58 54.59 1wvz n ASN 49 Cb 0.50 -2.25 0.00 0.00 1.24 0.00 0.00 39.78 39.27 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 -0.69 0.51 3.75 8.20 0.00 -1.26 -5.06 105.19 110.64 1wvz n GLY 50 Ca -0.07 0.00 -0.36 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 -0.92 3.37 0.09 1.61 2.36 0.36 -5.10 119.74 121.52 1wvz s LYS 51 Ca 0.00 -0.28 0.05 0.00 -2.55 0.00 0.00 55.97 53.18 1wvz s LYS 51 Cb 0.00 -3.04 -0.04 0.00 -1.05 0.00 0.00 37.83 33.70 1wvz s LYS 51 CO 0.00 0.64 0.00 -1.83 1.55 0.00 0.00 175.35 175.72 1wvz s GLU 52 N -0.68 2.56 -0.05 4.03 -1.05 -1.26 0.15 118.70 122.40 1wvz s GLU 52 Ca 0.12 -0.83 -0.00 0.00 -0.15 0.00 0.00 54.97 54.10 1wvz s GLU 52 Cb -0.12 -2.55 0.03 0.00 -0.44 0.00 0.00 34.13 31.05 1wvz s GLU 52 CO 0.02 0.54 0.00 -0.59 0.95 0.00 0.00 175.26 176.19 1wvz s PHE 53 N -1.31 0.44 0.21 4.83 -0.12 -1.06 -4.99 117.98 115.97 1wvz s PHE 53 Ca 0.26 -0.04 0.05 0.00 -0.05 0.00 0.00 56.93 57.14 1wvz s PHE 53 Cb -0.12 -0.57 -0.03 0.00 -0.63 0.00 0.00 43.02 41.67 1wvz s PHE 53 CO 0.18 -0.21 0.29 0.15 -0.05 0.00 0.00 175.22 175.59 1wvz s LYS 54 N 1.46 3.31 0.62 1.99 1.02 -1.26 -4.52 119.74 122.36 1wvz s LYS 54 Ca -0.03 -0.76 0.36 0.00 0.02 0.00 0.00 55.97 55.56 1wvz s LYS 54 Cb -0.13 -2.84 2.06 0.00 -0.52 0.00 0.00 37.83 36.39 1wvz s LYS 54 CO -0.03 0.46 2.29 0.37 -0.92 0.00 0.00 175.35 177.52 1wvz h GLN 55 N 1.64 0.00 -0.99 1.68 4.15 -2.02 -2.42 115.11 117.15 1wvz h GLN 55 Ca -0.50 0.00 0.11 0.00 0.77 0.00 0.00 58.65 59.03 1wvz h GLN 55 Cb 1.22 0.00 -0.08 0.00 0.21 0.00 0.00 27.48 28.83 1wvz h GLN 55 CO 0.64 0.01 0.63 0.93 -1.93 0.00 0.00 178.83 179.10 1wvz h GLU 56 N 0.00 0.98 -3.46 1.69 3.07 -2.05 -3.43 114.58 111.38 1wvz h GLU 56 Ca -0.00 -0.06 -0.16 0.00 -0.50 0.00 0.00 59.36 58.64 1wvz h GLU 56 Cb 0.04 -0.22 -0.23 0.00 -0.84 0.00 0.00 28.75 27.50 1wvz h GLU 56 CO 0.00 0.65 -0.51 -1.58 -1.40 0.00 0.00 179.01 176.17 1wvz s HIS 57 N -5.94 -0.03 -0.07 4.33 2.46 -0.91 -5.16 115.29 109.96 1wvz s HIS 57 Ca -0.12 0.06 -0.13 0.00 0.47 0.00 0.00 55.06 55.34 1wvz s HIS 57 Cb 0.22 -0.01 0.03 0.00 -0.13 0.00 0.00 32.58 32.68 1wvz s HIS 57 CO 0.81 -0.21 0.32 1.03 -2.47 0.00 0.00 174.74 174.21 1wvz s ARG 58 N -0.87 0.53 -0.72 2.88 1.81 -1.26 -4.26 118.95 117.06 1wvz s ARG 58 Ca -0.10 0.13 -0.26 0.00 -1.72 0.00 0.00 55.73 53.79 1wvz s ARG 58 Cb -0.05 0.24 -0.07 0.00 -0.45 0.00 0.00 34.95 34.62 1wvz s ARG 58 CO 0.01 -0.12 2.13 0.42 -0.68 0.00 0.00 175.30 177.06 1wvz s ILE 59 N -0.59 3.23 0.00 1.52 -1.09 -1.26 -2.24 121.20 120.77 1wvz s ILE 59 Ca -0.07 -0.06 0.00 0.00 -2.23 0.00 0.00 60.65 58.29 1wvz s ILE 59 Cb -0.04 -3.55 0.00 0.00 -1.58 0.00 0.00 42.46 37.29 1wvz s ILE 59 CO 0.02 -0.53 0.00 0.61 -1.23 0.00 0.00 174.94 173.81 1wvz n GLY 60 N 6.38 1.76 0.00 6.18 0.00 -1.26 -4.13 105.19 114.12 1wvz n GLY 60 Ca 0.36 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.38 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 2.48 3.18 -0.02 0.00 -0.95 -4.96 105.19 102.92 1wvz n GLY 61 Ca 0.00 -1.82 -0.08 0.00 0.00 0.00 0.00 46.02 44.11 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 -2.45 0.27 0.05 1.61 1.13 -1.26 -2.99 117.35 113.71 1wvz s TYR 62 Ca 0.00 -0.73 0.06 0.00 -1.41 0.00 0.00 57.07 54.99 1wvz s TYR 62 Cb 0.00 -0.15 -0.02 0.00 -1.10 0.00 0.00 41.96 40.68 1wvz s TYR 62 CO 0.00 -0.51 -0.17 0.21 -2.51 0.00 0.00 175.55 172.56 1wvz s LYS 63 N -3.89 1.12 -0.02 -3.49 2.20 0.65 -5.00 119.74 111.31 1wvz s LYS 63 Ca 0.06 -0.89 0.02 0.00 -0.36 0.00 0.00 55.97 54.80 1wvz s LYS 63 Cb 0.06 -1.20 0.01 0.00 -1.51 0.00 0.00 37.83 35.18 1wvz s LYS 63 CO -0.10 0.30 -0.06 0.14 -0.36 0.00 0.00 175.35 175.27 1wvz s VAL 64 N -0.89 0.55 -0.27 4.02 -7.23 -1.26 0.28 120.40 115.59 1wvz s VAL 64 Ca 0.04 -0.23 -0.29 0.00 -1.81 0.00 0.00 61.98 59.69 1wvz s VAL 64 Cb -0.09 -0.50 -0.00 0.00 0.56 0.00 0.00 36.38 36.35 1wvz s VAL 64 CO 0.02 0.18 1.32 -0.60 -0.31 0.00 0.00 175.10 175.71 1wvz s ARG 65 N 0.24 3.96 0.76 4.82 3.52 0.02 -4.75 118.95 127.52 1wvz s ARG 65 Ca -0.03 1.36 0.00 0.00 -0.13 0.00 0.00 55.73 56.94 1wvz s ARG 65 Cb -0.07 -3.87 0.00 0.00 -1.56 0.00 0.00 34.95 29.45 1wvz s ARG 65 CO -0.00 -1.06 0.00 0.09 -0.81 0.00 0.00 175.30 173.52 1wvz n ASN 66 N 7.51 0.00 -0.99 -2.12 4.13 -1.26 -2.83 115.26 119.70 1wvz n ASN 66 Ca 0.15 0.00 -0.01 0.00 1.68 0.00 0.00 54.58 56.40 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 1.67 0.28 0.00 0.00 177.26 179.21 1wvz n GLN 67 N 0.00 0.07 0.00 3.52 7.27 -1.26 -5.06 117.38 121.92 1wvz n GLN 67 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 57.00 56.94 1wvz n GLN 67 Cb 0.00 0.32 0.00 0.00 2.41 0.00 0.00 30.24 32.97 1wvz n GLN 67 CO 0.00 0.00 0.00 -2.39 0.07 0.00 0.00 177.06 174.74 1wvz n HIS 68 N -0.08 0.00 0.00 3.69 1.44 -1.13 -4.74 115.22 114.41 1wvz n HIS 68 Ca -0.03 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.68 1wvz n HIS 68 Cb 0.40 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.51 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 -4.29 -1.40 8.01 -1.26 -4.55 117.44 113.95 1wvz n TRP 69 Ca 0.00 0.00 -0.20 0.00 -1.31 0.00 0.00 57.50 55.99 1wvz n TRP 69 Cb 0.00 0.00 -0.11 0.00 -2.01 0.00 0.00 31.31 29.19 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 2.34 -0.12 -0.99 1.04 -1.26 -2.09 113.70 114.62 1wvz s SER 70 Ca 0.00 -0.83 -0.04 0.00 0.48 0.00 0.00 55.95 55.56 1wvz s SER 70 Cb 0.00 -0.11 0.06 0.00 0.10 0.00 0.00 66.02 66.06 1wvz s SER 70 CO 0.00 -0.09 0.15 -1.48 0.98 0.00 0.00 173.24 172.81 1wvz s LEU 71 N -2.54 -0.00 -0.26 2.42 2.34 0.48 -0.80 118.68 120.31 1wvz s LEU 71 Ca 0.12 0.04 -0.10 0.00 0.06 0.00 0.00 54.13 54.25 1wvz s LEU 71 Cb -0.05 0.18 -0.05 0.00 -0.56 0.00 0.00 46.19 45.72 1wvz s LEU 71 CO 0.05 -0.28 0.16 -0.51 -1.06 0.00 0.00 176.35 174.70 1wvz s ILE 72 N 2.27 5.11 0.03 1.48 2.07 0.14 -1.26 121.20 131.04 1wvz s ILE 72 Ca 0.04 0.10 0.08 0.00 -1.41 0.00 0.00 60.65 59.46 1wvz s ILE 72 Cb -0.13 -3.41 -0.03 0.00 0.13 0.00 0.00 42.46 39.01 1wvz s ILE 72 CO -0.07 0.29 -0.22 0.00 -1.91 0.00 0.00 174.94 173.02 1wvz s MET 73 N 1.55 2.00 -0.26 3.50 0.23 -0.48 -0.26 119.30 125.58 1wvz s MET 73 Ca 0.07 -1.01 -0.17 0.00 -1.03 0.00 0.00 55.69 53.55 1wvz s MET 73 Cb -0.15 -2.09 -0.03 0.00 -1.53 0.00 0.00 34.83 31.02 1wvz s MET 73 CO 0.08 0.54 0.47 -2.00 -2.03 0.00 0.00 175.02 172.08 1wvz s GLU 74 N -1.18 4.06 -0.34 3.16 2.56 -1.16 0.16 118.70 125.96 1wvz s GLU 74 Ca 0.12 0.24 0.00 0.00 0.00 0.00 0.00 54.97 55.33 1wvz s GLU 74 Cb -0.10 -3.65 0.11 0.00 2.00 0.00 0.00 34.13 32.49 1wvz s GLU 74 CO 0.03 -0.32 0.13 -1.54 -0.56 0.00 0.00 175.26 173.00 1wvz s SER 75 N 1.56 3.95 -0.17 -1.70 1.04 -1.22 -4.02 113.70 113.13 1wvz s SER 75 Ca 0.19 -1.90 -0.19 0.00 0.48 0.00 0.00 55.95 54.53 1wvz s SER 75 Cb -0.16 -0.92 -0.22 0.00 0.10 0.00 0.00 66.02 64.82 1wvz s SER 75 CO 0.09 -0.38 0.36 1.62 0.98 0.00 0.00 173.24 175.91 1wvz h VAL 76 N 6.17 0.98 0.05 5.02 3.04 -1.85 -3.32 116.25 126.34 1wvz h VAL 76 Ca -0.10 -2.26 -0.31 0.00 -1.01 0.00 0.00 66.70 63.02 1wvz h VAL 76 Cb 0.99 2.47 -0.03 0.00 -2.01 0.00 0.00 31.29 32.71 1wvz h VAL 76 CO 0.47 0.50 -1.74 0.52 -1.01 0.00 0.00 177.57 176.31 1wvz n VAL 77 N -4.21 1.62 0.26 1.51 0.31 -1.26 -4.17 118.33 112.39 1wvz n VAL 77 Ca -0.29 -0.32 0.16 0.00 -0.01 0.00 0.00 64.34 63.88 1wvz n VAL 77 Cb 0.76 -1.88 0.83 0.00 -0.91 0.00 0.00 33.84 32.64 1wvz n VAL 77 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1wvz h PRO 78 N -0.55 0.00 -0.29 5.55 0.11 -1.95 -2.52 132.00 132.35 1wvz h PRO 78 Ca -0.43 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.77 1wvz h PRO 78 Cb 1.64 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.74 1wvz h PRO 78 CO -0.12 0.00 0.42 1.03 -0.21 0.00 0.00 178.00 179.12 1wvz h SER 79 N 0.00 0.00 -0.13 -2.05 0.87 -1.73 0.53 113.55 111.04 1wvz h SER 79 Ca 0.00 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1wvz h SER 79 Cb 0.08 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1wvz h SER 79 CO 0.00 0.00 0.18 -2.24 -0.53 0.00 0.00 176.83 174.24 1wvz h ASP 80 N 0.00 0.00 -3.55 6.23 2.03 -1.73 -3.36 116.42 116.04 1wvz h ASP 80 Ca 0.14 0.00 -0.71 0.00 -0.73 0.00 0.00 57.03 55.72 1wvz h ASP 80 Cb 0.97 0.00 -0.24 0.00 -0.83 0.00 0.00 39.33 39.23 1wvz h ASP 80 CO -0.00 0.00 -0.49 -0.75 -1.03 0.00 0.00 179.24 176.97 1wvz s LYS 81 N -4.53 2.83 -0.83 4.15 2.36 0.19 -4.85 119.74 119.06 1wvz s LYS 81 Ca -0.05 -1.11 -0.01 0.00 -2.55 0.00 0.00 55.97 52.26 1wvz s LYS 81 Cb 0.14 -3.80 0.35 0.00 -1.05 0.00 0.00 37.83 33.48 1wvz s LYS 81 CO 0.51 -0.74 1.84 0.41 1.55 0.00 0.00 175.35 178.91 1wvz n GLY 82 N 5.03 5.72 2.96 5.54 0.00 -1.26 -4.91 105.19 118.28 1wvz n GLY 82 Ca -0.12 -2.55 -0.30 0.00 0.00 0.00 0.00 46.02 43.05 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 -1.51 3.66 -0.09 1.61 2.47 -1.26 -1.67 114.94 118.14 1wvz s ASN 83 Ca 0.48 -1.05 0.03 0.00 0.42 0.00 0.00 52.86 52.74 1wvz s ASN 83 Cb 0.37 -1.20 -0.02 0.00 -1.45 0.00 0.00 41.25 38.96 1wvz s ASN 83 CO -0.32 -0.20 -0.17 -0.31 -3.72 0.00 0.00 177.10 172.39 1wvz s TYR 84 N 1.40 2.68 -0.13 0.43 1.51 -1.08 -0.00 117.35 122.16 1wvz s TYR 84 Ca -0.04 -0.55 -0.00 0.00 -1.01 0.00 0.00 57.07 55.46 1wvz s TYR 84 Cb -0.18 -1.72 0.03 0.00 -0.11 0.00 0.00 41.96 39.98 1wvz s TYR 84 CO -0.07 -0.12 -0.10 0.99 -1.11 0.00 0.00 175.55 175.15 1wvz s THR 85 N -0.07 1.23 -0.39 -0.71 2.01 0.45 -0.10 115.64 118.07 1wvz s THR 85 Ca -0.04 -0.44 -0.10 0.00 0.31 0.00 0.00 61.69 61.43 1wvz s THR 85 Cb -0.14 -1.22 0.05 0.00 0.01 0.00 0.00 72.50 71.20 1wvz s THR 85 CO 0.04 0.38 0.21 0.00 -0.69 0.00 0.00 174.62 174.57 1wvz s VAL 87 N 1.48 3.78 -0.36 0.00 1.01 -1.06 -0.40 120.40 124.85 1wvz s VAL 87 Ca 0.02 -1.56 -0.13 0.00 0.00 0.00 0.00 61.98 60.30 1wvz s VAL 87 Cb -0.21 -3.36 -0.00 0.00 0.00 0.00 0.00 36.38 32.81 1wvz s VAL 87 CO 0.04 -0.49 0.25 -0.69 0.00 0.00 0.00 175.10 174.22 1wvz s VAL 88 N 1.32 5.19 0.14 2.92 1.01 -0.88 0.78 120.40 130.87 1wvz s VAL 88 Ca 0.03 -0.41 0.03 0.00 0.00 0.00 0.00 61.98 61.63 1wvz s VAL 88 Cb -0.22 -3.75 -0.04 0.00 0.00 0.00 0.00 36.38 32.37 1wvz s VAL 88 CO -0.00 -0.12 0.22 -0.70 0.00 0.00 0.00 175.10 174.50 1wvz s GLU 89 N 1.69 3.24 0.32 2.72 -6.30 0.44 -1.85 118.70 118.98 1wvz s GLU 89 Ca 0.05 -0.66 0.03 0.00 -2.50 0.00 0.00 54.97 51.89 1wvz s GLU 89 Cb -0.18 -2.87 -0.02 0.00 0.00 0.00 0.00 34.13 31.07 1wvz s GLU 89 CO 0.10 0.53 0.34 0.54 0.02 0.00 0.00 175.26 176.79 1wvz s ASN 90 N -3.03 1.28 0.17 -1.70 2.20 0.22 -2.14 114.94 111.93 1wvz s ASN 90 Ca 0.33 -1.63 0.20 0.00 -0.94 0.00 0.00 52.86 50.83 1wvz s ASN 90 Cb -0.11 0.58 0.85 0.00 -2.00 0.00 0.00 41.25 40.57 1wvz s ASN 90 CO 0.26 -1.13 1.62 1.21 -2.94 0.00 0.00 177.10 176.12 1wvz n GLU 91 N -0.57 0.13 0.00 3.55 0.00 -1.26 -2.50 120.64 119.98 1wvz n GLU 91 Ca 0.05 0.36 0.06 0.00 0.00 0.00 0.00 57.16 57.63 1wvz n GLU 91 Cb 0.62 -1.74 0.05 0.00 0.00 0.00 0.00 31.44 30.37 1wvz n GLU 91 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.13 178.11 1wvz n TYR 92 N -1.97 0.00 0.00 4.31 9.36 -1.26 -5.04 117.16 122.55 1wvz n TYR 92 Ca 0.03 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.25 1wvz n TYR 92 Cb 0.21 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.92 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 0.73 1.92 2.99 2.98 0.00 -1.04 -4.99 105.19 107.77 1wvz n GLY 93 Ca 0.07 -1.29 -0.24 0.00 0.00 0.00 0.00 46.02 44.57 1wvz n GLY 93 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1wvz s SER 94 N 0.00 1.63 0.18 1.61 0.01 -1.26 0.73 113.70 116.60 1wvz s SER 94 Ca 0.00 -0.26 0.08 0.00 1.31 0.00 0.00 55.95 57.07 1wvz s SER 94 Cb 0.00 -0.75 -0.04 0.00 0.21 0.00 0.00 66.02 65.44 1wvz s SER 94 CO 0.00 0.01 -0.02 -0.63 0.41 0.00 0.00 173.24 173.01 1wvz s ILE 95 N 0.76 3.57 -0.04 1.44 1.01 -0.77 -4.98 121.20 122.20 1wvz s ILE 95 Ca -0.13 -1.52 0.06 0.00 0.00 0.00 0.00 60.65 59.06 1wvz s ILE 95 Cb -0.15 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.50 1wvz s ILE 95 CO 0.02 -0.13 -0.21 0.54 0.00 0.00 0.00 174.94 175.16 1wvz s ASN 96 N -2.98 2.59 -0.03 3.58 2.20 -1.26 -2.08 114.94 116.96 1wvz s ASN 96 Ca 0.27 -0.42 0.01 0.00 -0.94 0.00 0.00 52.86 51.79 1wvz s ASN 96 Cb -0.09 -0.54 0.01 0.00 -2.00 0.00 0.00 41.25 38.64 1wvz s ASN 96 CO 0.18 0.23 -0.05 -1.00 -2.94 0.00 0.00 177.10 173.52 1wvz s HIS 97 N -0.25 0.61 0.08 1.54 3.76 0.47 -4.98 115.29 116.52 1wvz s HIS 97 Ca 0.01 -0.14 0.08 0.00 -0.15 0.00 0.00 55.06 54.87 1wvz s HIS 97 Cb -0.11 -0.51 -0.04 0.00 1.11 0.00 0.00 32.58 33.04 1wvz s HIS 97 CO 0.01 -0.11 -0.18 0.99 -0.85 0.00 0.00 174.74 174.61 1wvz s THR 98 N 0.50 2.85 -0.03 1.30 2.01 -1.26 0.16 115.64 121.17 1wvz s THR 98 Ca -0.06 -1.36 0.01 0.00 0.31 0.00 0.00 61.69 60.59 1wvz s THR 98 Cb -0.10 -2.26 0.01 0.00 0.01 0.00 0.00 72.50 70.16 1wvz s THR 98 CO -0.00 0.20 -0.04 -0.31 -0.69 0.00 0.00 174.62 173.78 1wvz s TYR 99 N -1.06 0.59 -0.52 4.92 1.51 0.85 -4.97 117.35 118.68 1wvz s TYR 99 Ca 0.17 -0.13 -0.25 0.00 -1.01 0.00 0.00 57.07 55.85 1wvz s TYR 99 Cb -0.11 -0.51 0.03 0.00 -0.11 0.00 0.00 41.96 41.27 1wvz s TYR 99 CO 0.08 -0.12 0.95 -1.01 -1.11 0.00 0.00 175.55 174.35 1wvz s HIS 100 N 0.60 2.83 0.03 2.71 3.76 -1.26 -2.65 115.29 121.31 1wvz s HIS 100 Ca -0.07 0.18 0.07 0.00 -0.15 0.00 0.00 55.06 55.09 1wvz s HIS 100 Cb -0.11 -4.06 -0.03 0.00 1.11 0.00 0.00 32.58 29.49 1wvz s HIS 100 CO -0.00 -1.27 -0.20 -0.51 -0.85 0.00 0.00 174.74 171.90 1wvz s LEU 101 N 3.95 2.47 0.03 0.89 2.01 -0.67 -2.34 118.68 125.01 1wvz s LEU 101 Ca 0.34 -0.45 0.04 0.00 0.01 0.00 0.00 54.13 54.07 1wvz s LEU 101 Cb -0.11 -1.45 -0.02 0.00 0.01 0.00 0.00 46.19 44.62 1wvz s LEU 101 CO 0.23 0.27 -0.12 -0.62 1.01 0.00 0.00 176.35 177.12 1wvz s ASP 102 N -1.27 1.38 0.14 2.29 2.15 0.42 -4.18 116.67 117.60 1wvz s ASP 102 Ca 0.13 -0.42 -0.30 0.00 0.43 0.00 0.00 52.55 52.40 1wvz s ASP 102 Cb -0.10 -0.08 -0.07 0.00 -0.30 0.00 0.00 42.92 42.37 1wvz s ASP 102 CO 0.04 0.00 1.04 -0.69 -0.17 0.00 0.00 175.17 175.39 1wvz s VAL 103 N -0.82 4.18 0.00 1.11 1.01 -1.26 -1.55 120.40 123.07 1wvz s VAL 103 Ca -0.00 1.82 0.00 0.00 0.00 0.00 0.00 61.98 63.80 1wvz s VAL 103 Cb -0.07 -4.16 0.00 0.00 0.00 0.00 0.00 36.38 32.14 1wvz s VAL 103 CO 0.01 0.29 0.19 0.52 0.00 0.00 0.00 175.10 176.10