#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 6.41 5.03 -1.26 -4.96 115.26 115.90 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 3.18 3.79 -0.10 3.52 0.00 -1.26 -4.21 119.74 124.66 1wvz s LYS 6 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 55.97 55.79 1wvz s LYS 6 Cb 0.00 -3.73 0.05 0.00 0.00 0.00 0.00 37.83 34.15 1wvz s LYS 6 CO 0.00 -0.43 0.20 1.03 0.00 0.00 0.00 175.35 176.14 1wvz s ARG 7 N 2.13 0.09 -0.12 1.78 3.00 -1.26 -4.27 118.95 120.30 1wvz s ARG 7 Ca 0.15 0.59 -0.32 0.00 0.00 0.00 0.00 55.73 56.15 1wvz s ARG 7 Cb -0.16 -0.17 -0.15 0.00 0.00 0.00 0.00 34.95 34.47 1wvz s ARG 7 CO 0.11 -0.27 0.93 0.00 0.00 0.00 0.00 175.30 176.08 1wvz n ALA 8 N 5.07 -2.31 -2.70 2.13 0.00 -1.26 -2.75 120.51 118.70 1wvz n ALA 8 Ca -0.10 0.43 -0.39 0.00 0.00 0.00 0.00 53.44 53.38 1wvz n ALA 8 Cb 0.50 -1.37 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 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 0.71 4.42 -0.21 0.00 0.04 -1.26 -4.57 135.00 134.12 1wvz s PRO 9 Ca 0.72 0.82 -0.26 0.00 0.04 0.00 0.00 61.00 62.33 1wvz s PRO 9 Cb -1.02 -3.44 -0.01 0.00 0.04 0.00 0.00 34.50 30.08 1wvz s PRO 9 CO 0.49 0.09 0.87 0.71 0.04 0.00 0.00 177.00 179.21 1wvz s TYR 10 N 0.71 3.36 0.33 0.56 1.51 0.30 -4.71 117.35 119.42 1wvz s TYR 10 Ca 0.36 1.25 -0.27 0.00 -1.01 0.00 0.00 57.07 57.40 1wvz s TYR 10 Cb -0.17 -3.08 -0.13 0.00 -0.11 0.00 0.00 41.96 38.47 1wvz s TYR 10 CO 0.17 -0.35 1.02 -2.67 -1.11 0.00 0.00 175.55 172.61 1wvz n TRP 11 N 5.75 1.27 -0.02 2.71 4.27 -1.26 -0.75 117.44 129.40 1wvz n TRP 11 Ca 0.06 0.65 -0.07 0.00 -3.89 0.00 0.00 57.50 54.25 1wvz n TRP 11 Cb 0.48 -2.25 -0.02 0.00 -1.36 0.00 0.00 31.31 28.15 1wvz n TRP 11 CO 0.00 0.00 0.00 -2.37 -2.29 0.00 0.00 177.69 173.03 1wvz n THR 12 N 0.01 0.79 -3.77 -1.67 5.66 -1.06 -4.77 114.28 109.46 1wvz n THR 12 Ca 0.09 0.05 -0.32 0.00 -3.05 0.00 0.00 64.05 60.82 1wvz n THR 12 Cb 0.34 -1.70 -0.04 0.00 -1.55 0.00 0.00 70.33 67.38 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 -5.85 6.44 -0.18 1.09 0.02 -1.26 -5.07 114.94 110.13 1wvz s ASN 13 Ca -0.11 0.47 -0.24 0.00 -1.02 0.00 0.00 52.86 51.96 1wvz s ASN 13 Cb 0.03 -2.04 -0.02 0.00 0.02 0.00 0.00 41.25 39.25 1wvz s ASN 13 CO 0.14 0.12 0.79 0.42 0.02 0.00 0.00 177.10 178.59 1wvz s THR 14 N -1.56 4.91 -1.03 1.60 -4.23 -1.26 -4.78 115.64 109.28 1wvz s THR 14 Ca 0.37 1.53 0.23 0.00 -1.18 0.00 0.00 61.69 62.64 1wvz s THR 14 Cb -0.13 -4.09 0.20 0.00 1.34 0.00 0.00 72.50 69.83 1wvz s THR 14 CO 0.25 0.03 1.74 -0.62 -0.54 0.00 0.00 174.62 175.48 1wvz n GLU 15 N 5.29 0.02 0.19 3.99 1.02 -1.26 -2.69 120.64 127.21 1wvz n GLU 15 Ca 0.03 0.10 0.14 0.00 -0.02 0.00 0.00 57.16 57.42 1wvz n GLU 15 Cb 0.49 -1.50 0.56 0.00 -0.02 0.00 0.00 31.44 30.97 1wvz n GLU 15 CO 0.00 0.00 0.00 0.87 1.18 0.00 0.00 177.13 179.18 1wvz h LYS 16 N 0.00 0.00 -0.05 3.49 1.57 -1.96 0.31 116.57 119.92 1wvz h LYS 16 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1wvz h LYS 16 Cb 0.39 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.69 1wvz h LYS 16 CO 0.00 0.00 -0.16 -1.33 -0.57 0.00 0.00 179.45 177.39 1wvz n MET 17 N -2.61 1.58 -1.05 3.15 2.81 -1.09 -4.60 117.12 115.32 1wvz n MET 17 Ca 0.02 -2.87 -0.01 0.00 -1.81 0.00 0.00 57.70 53.03 1wvz n MET 17 Cb 0.28 -1.60 0.00 0.00 -0.71 0.00 0.00 33.22 31.19 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 -1.23 0.09 0.00 0.03 0.28 -1.06 -5.01 120.64 113.74 1wvz n GLU 18 Ca 0.19 -0.16 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1wvz n GLU 18 Cb 0.71 0.31 0.00 0.00 1.43 0.00 0.00 31.44 33.89 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 -0.10 0.00 -0.83 3.44 0.00 0.07 -4.63 118.16 116.11 1wvz n LYS 19 Ca -0.04 0.00 -0.13 0.00 0.00 0.00 0.00 58.31 58.14 1wvz n LYS 19 Cb 0.42 0.00 0.02 0.00 0.00 0.00 0.00 35.03 35.47 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 -0.88 1.64 -2.73 1.64 -4.01 -1.08 -4.69 116.66 106.55 1wvz n ARG 20 Ca 0.00 -1.21 -0.42 0.00 -1.04 0.00 0.00 57.85 55.18 1wvz n ARG 20 Cb 0.00 -1.50 -0.03 0.00 -3.04 0.00 0.00 32.46 27.89 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 -1.36 4.12 0.62 2.89 1.43 -1.25 -4.62 118.68 120.51 1wvz s LEU 21 Ca 0.25 -1.39 0.27 0.00 -1.03 0.00 0.00 54.13 52.24 1wvz s LEU 21 Cb 0.19 -2.48 1.41 0.00 0.03 0.00 0.00 46.19 45.34 1wvz s LEU 21 CO -0.01 -1.41 1.81 1.12 0.23 0.00 0.00 176.35 178.09 1wvz h HIS 22 N 9.48 0.00 -3.57 0.29 2.07 -1.75 -3.38 115.15 118.30 1wvz h HIS 22 Ca 0.01 0.00 -0.60 0.00 -2.85 0.00 0.00 60.37 56.94 1wvz h HIS 22 Cb 1.03 0.00 -0.10 0.00 2.57 0.00 0.00 27.41 30.91 1wvz h HIS 22 CO 1.16 0.00 0.63 0.00 -3.07 0.00 0.00 177.93 176.64 1wvz s ALA 23 N -4.38 3.20 -0.01 6.11 0.00 -1.26 0.17 121.76 125.59 1wvz s ALA 23 Ca -0.04 -0.85 0.02 0.00 0.00 0.00 0.00 51.96 51.10 1wvz s ALA 23 Cb 0.12 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1wvz s ALA 23 CO 0.41 -2.16 -0.06 0.54 0.00 0.00 0.00 175.76 174.49 1wvz s VAL 24 N 3.91 0.50 -0.03 0.00 0.11 -0.84 -4.90 120.40 119.14 1wvz s VAL 24 Ca 0.37 -0.23 -0.30 0.00 -2.93 0.00 0.00 61.98 58.89 1wvz s VAL 24 Cb -0.10 -0.45 -0.02 0.00 -1.53 0.00 0.00 36.38 34.28 1wvz s VAL 24 CO 0.26 0.16 1.00 -2.16 -3.33 0.00 0.00 175.10 171.02 1wvz s PRO 25 N 0.09 4.51 0.45 1.54 0.04 -1.26 -2.07 135.00 138.29 1wvz s PRO 25 Ca -0.01 1.43 -0.23 0.00 0.04 0.00 0.00 61.00 62.23 1wvz s PRO 25 Cb -0.05 -3.49 -0.08 0.00 0.04 0.00 0.00 34.50 30.93 1wvz s PRO 25 CO -0.00 -0.15 1.14 0.00 0.04 0.00 0.00 177.00 178.03 1wvz s ALA 26 N 1.37 2.99 -1.55 8.56 0.00 -0.95 -2.96 121.76 129.22 1wvz s ALA 26 Ca 0.51 0.88 0.00 0.00 0.00 0.00 0.00 51.96 53.35 1wvz s ALA 26 Cb -0.20 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.56 1wvz s ALA 26 CO 0.25 -0.57 0.00 0.00 0.00 0.00 0.00 175.76 175.44 1wvz n ALA 27 N -0.43 -0.28 -2.54 0.00 0.00 -1.26 -4.99 120.51 111.01 1wvz n ALA 27 Ca 0.07 0.22 -0.25 0.00 0.00 0.00 0.00 53.44 53.48 1wvz n ALA 27 Cb 0.48 -1.66 -0.11 0.00 0.00 0.00 0.00 19.45 18.17 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 -2.72 3.35 0.32 0.00 0.02 -1.16 -4.87 114.94 109.88 1wvz s ASN 28 Ca 0.00 -1.31 -0.26 0.00 -1.02 0.00 0.00 52.86 50.26 1wvz s ASN 28 Cb 0.00 -0.28 -0.10 0.00 0.02 0.00 0.00 41.25 40.89 1wvz s ASN 28 CO 0.00 -0.42 0.95 0.42 0.02 0.00 0.00 177.10 178.07 1wvz s THR 29 N -2.87 4.18 -0.19 1.60 -4.23 -1.26 -3.62 115.64 109.26 1wvz s THR 29 Ca 0.34 1.83 -0.08 0.00 -1.18 0.00 0.00 61.69 62.60 1wvz s THR 29 Cb 0.07 -4.03 -0.04 0.00 1.34 0.00 0.00 72.50 69.84 1wvz s THR 29 CO 0.16 0.16 0.09 -0.69 -0.54 0.00 0.00 174.62 173.81 1wvz s VAL 30 N -1.58 5.03 -0.22 2.29 1.01 0.19 -4.94 120.40 122.17 1wvz s VAL 30 Ca 0.50 0.05 -0.26 0.00 0.00 0.00 0.00 61.98 62.27 1wvz s VAL 30 Cb -0.19 -3.28 -0.00 0.00 0.00 0.00 0.00 36.38 32.90 1wvz s VAL 30 CO 0.24 0.44 0.91 -0.75 0.00 0.00 0.00 175.10 175.95 1wvz s LYS 31 N 0.44 4.23 -0.21 2.72 2.36 -1.26 -1.90 119.74 126.12 1wvz s LYS 31 Ca 0.05 1.11 -0.01 0.00 -2.55 0.00 0.00 55.97 54.57 1wvz s LYS 31 Cb -0.12 -3.63 0.01 0.00 -1.05 0.00 0.00 37.83 33.04 1wvz s LYS 31 CO -0.00 -0.52 -0.11 0.12 1.55 0.00 0.00 175.35 176.38 1wvz s PHE 32 N 2.84 2.92 -0.12 4.03 2.19 0.28 -4.99 117.98 125.14 1wvz s PHE 32 Ca 0.39 -1.40 0.01 0.00 0.33 0.00 0.00 56.93 56.26 1wvz s PHE 32 Cb -0.15 -2.02 -0.01 0.00 -1.31 0.00 0.00 43.02 39.52 1wvz s PHE 32 CO 0.08 -0.70 -0.15 1.03 1.83 0.00 0.00 175.22 177.31 1wvz s ARG 33 N 1.36 3.26 -0.43 10.12 3.00 -1.26 0.10 118.95 135.10 1wvz s ARG 33 Ca 0.04 -0.71 0.08 0.00 0.00 0.00 0.00 55.73 55.14 1wvz s ARG 33 Cb -0.14 -2.56 0.34 0.00 0.00 0.00 0.00 34.95 32.59 1wvz s ARG 33 CO -0.07 0.25 1.10 0.00 0.00 0.00 0.00 175.30 176.57 1wvz s PRO 35 N -0.33 4.29 -0.26 0.00 0.04 -1.10 -4.62 135.00 133.02 1wvz s PRO 35 Ca 0.25 2.02 -0.01 0.00 0.04 0.00 0.00 61.00 63.30 1wvz s PRO 35 Cb 0.33 -3.49 0.13 0.00 0.04 0.00 0.00 34.50 31.51 1wvz s PRO 35 CO -0.06 -0.55 0.34 0.00 0.04 0.00 0.00 177.00 176.77 1wvz s ALA 36 N 2.08 -0.81 0.21 8.56 0.00 -1.23 -2.58 121.76 127.99 1wvz s ALA 36 Ca 0.65 0.34 -0.30 0.00 0.00 0.00 0.00 51.96 52.65 1wvz s ALA 36 Cb -0.33 -1.73 -0.09 0.00 0.00 0.00 0.00 23.12 20.97 1wvz s ALA 36 CO 0.28 -1.47 1.30 0.20 0.00 0.00 0.00 175.76 176.08 1wvz s GLY 37 N 2.46 2.52 0.00 0.00 0.00 0.07 -4.45 107.32 107.92 1wvz s GLY 37 Ca 0.10 1.12 0.00 0.00 0.00 0.00 0.00 44.72 45.94 1wvz s GLY 37 CO -0.23 2.04 0.00 0.61 0.00 0.00 0.00 173.10 175.53 1wvz n GLY 38 N 2.19 -0.53 3.70 0.20 0.00 -1.26 0.11 105.19 109.60 1wvz n GLY 38 Ca 0.05 0.15 -0.29 0.00 0.00 0.00 0.00 46.02 45.93 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 -4.00 3.10 0.00 1.61 6.03 -1.11 -4.96 114.94 115.61 1wvz s ASN 39 Ca 0.00 1.39 0.27 0.00 -1.03 0.00 0.00 52.86 53.49 1wvz s ASN 39 Cb 0.00 -2.06 0.86 0.00 -3.03 0.00 0.00 41.25 37.01 1wvz s ASN 39 CO 0.00 -2.86 1.63 -0.81 -2.03 0.00 0.00 177.10 173.03 1wvz n PRO 40 N -4.02 1.38 -3.61 3.55 -0.04 -1.26 -4.51 135.00 126.50 1wvz n PRO 40 Ca 0.06 -0.85 -0.30 0.00 -0.04 0.00 0.00 63.50 62.38 1wvz n PRO 40 Cb 0.56 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.45 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 -0.07 2.41 -3.22 0.54 0.00 -1.26 -5.07 117.12 110.45 1wvz n MET 41 Ca 0.16 -4.58 -0.39 0.00 0.00 0.00 0.00 57.70 52.90 1wvz n MET 41 Cb 0.37 -2.31 -0.06 0.00 0.00 0.00 0.00 33.22 31.22 1wvz n MET 41 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 1wvz s PRO 42 N -1.97 4.31 -0.33 2.12 0.04 -1.26 -4.67 135.00 133.24 1wvz s PRO 42 Ca 0.32 0.55 -0.00 0.00 0.04 0.00 0.00 61.00 61.91 1wvz s PRO 42 Cb 0.04 -3.48 0.08 0.00 0.04 0.00 0.00 34.50 31.18 1wvz s PRO 42 CO -0.08 0.03 0.04 0.99 0.04 0.00 0.00 177.00 178.02 1wvz s THR 43 N 1.02 2.80 0.15 1.26 2.01 -0.80 -5.03 115.64 117.05 1wvz s THR 43 Ca 0.28 -1.78 0.11 0.00 0.31 0.00 0.00 61.69 60.61 1wvz s THR 43 Cb -0.16 -2.78 -0.04 0.00 0.01 0.00 0.00 72.50 69.53 1wvz s THR 43 CO 0.12 -0.34 -0.26 0.00 -0.69 0.00 0.00 174.62 173.45 1wvz s MET 44 N 1.13 1.44 0.18 4.92 0.23 -1.26 0.16 119.30 126.10 1wvz s MET 44 Ca 0.01 -1.41 0.09 0.00 -1.03 0.00 0.00 55.69 53.35 1wvz s MET 44 Cb -0.20 -1.88 -0.04 0.00 -1.53 0.00 0.00 34.83 31.18 1wvz s MET 44 CO -0.04 0.43 -0.10 1.03 -2.03 0.00 0.00 175.02 174.31 1wvz s ARG 45 N -2.27 2.04 -0.17 3.16 3.00 0.37 -4.92 118.95 120.16 1wvz s ARG 45 Ca 0.16 -1.28 0.01 0.00 0.00 0.00 0.00 55.73 54.62 1wvz s ARG 45 Cb -0.09 -2.15 0.02 0.00 0.00 0.00 0.00 34.95 32.73 1wvz s ARG 45 CO 0.07 0.43 -0.19 -1.58 0.00 0.00 0.00 175.30 174.04 1wvz s TRP 46 N -1.72 2.59 -0.10 -0.53 0.51 -1.26 -2.30 118.94 116.14 1wvz s TRP 46 Ca 0.25 -1.50 0.01 0.00 -2.12 0.00 0.00 56.10 52.74 1wvz s TRP 46 Cb -0.09 -1.81 0.02 0.00 -0.81 0.00 0.00 33.47 30.78 1wvz s TRP 46 CO 0.15 -0.75 -0.10 -1.17 -0.51 0.00 0.00 176.95 174.57 1wvz s LEU 47 N 1.30 1.39 -0.12 2.99 2.96 -1.07 -2.46 118.68 123.67 1wvz s LEU 47 Ca 0.04 -0.31 0.01 0.00 -0.22 0.00 0.00 54.13 53.65 1wvz s LEU 47 Cb -0.13 -0.86 0.02 0.00 0.50 0.00 0.00 46.19 45.72 1wvz s LEU 47 CO -0.11 -0.06 -0.14 -1.59 -1.32 0.00 0.00 176.35 173.13 1wvz s LYS 48 N 1.29 2.14 -1.78 1.98 -2.85 0.43 -0.37 119.74 120.58 1wvz s LYS 48 Ca -0.03 -0.52 -0.22 0.00 -1.00 0.00 0.00 55.97 54.21 1wvz s LYS 48 Cb -0.14 -1.91 0.21 0.00 -2.06 0.00 0.00 37.83 33.93 1wvz s LYS 48 CO -0.04 -0.14 0.64 -1.71 0.10 0.00 0.00 175.35 174.21 1wvz n ASN 49 N 4.46 -2.31 0.00 0.03 5.15 -0.40 0.16 115.26 122.36 1wvz n ASN 49 Ca -0.18 -1.12 0.00 0.00 -0.60 0.00 0.00 54.58 52.68 1wvz n ASN 49 Cb 0.51 -1.96 0.00 0.00 -0.53 0.00 0.00 39.78 37.80 1wvz n ASN 49 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1wvz n GLY 50 N -1.15 0.44 3.07 8.20 0.00 -1.26 -5.05 105.19 109.44 1wvz n GLY 50 Ca 0.10 -0.97 -0.25 0.00 0.00 0.00 0.00 46.02 44.91 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 -2.42 1.72 -0.04 1.61 2.36 0.43 -5.14 119.74 118.26 1wvz s LYS 51 Ca 0.00 -0.49 -0.02 0.00 -2.55 0.00 0.00 55.97 52.91 1wvz s LYS 51 Cb 0.00 -1.45 -0.04 0.00 -1.05 0.00 0.00 37.83 35.30 1wvz s LYS 51 CO 0.00 0.12 0.09 -1.83 1.55 0.00 0.00 175.35 175.28 1wvz s GLU 52 N 0.38 3.16 0.00 4.03 -1.05 -1.26 0.16 118.70 124.12 1wvz s GLU 52 Ca -0.10 -0.39 0.00 0.00 -0.15 0.00 0.00 54.97 54.33 1wvz s GLU 52 Cb -0.14 -2.94 -0.00 0.00 -0.44 0.00 0.00 34.13 30.62 1wvz s GLU 52 CO 0.03 0.68 -0.01 -0.59 0.95 0.00 0.00 175.26 176.32 1wvz s PHE 53 N -1.13 0.08 0.14 4.83 -0.12 -1.03 -5.00 117.98 115.76 1wvz s PHE 53 Ca 0.21 -0.05 0.08 0.00 -0.05 0.00 0.00 56.93 57.12 1wvz s PHE 53 Cb -0.12 -0.05 -0.04 0.00 -0.63 0.00 0.00 43.02 42.17 1wvz s PHE 53 CO 0.11 -0.01 -0.11 0.21 -0.05 0.00 0.00 175.22 175.37 1wvz s LYS 54 N -0.11 2.05 0.59 1.99 2.20 -1.26 -4.37 119.74 120.83 1wvz s LYS 54 Ca -0.01 -1.16 0.33 0.00 -0.36 0.00 0.00 55.97 54.77 1wvz s LYS 54 Cb -0.01 -2.21 1.85 0.00 -1.51 0.00 0.00 37.83 35.95 1wvz s LYS 54 CO -0.00 0.47 2.22 -0.56 -0.36 0.00 0.00 175.35 177.12 1wvz h GLN 55 N 3.29 0.00 0.00 4.03 -0.00 -2.01 -1.47 115.11 118.95 1wvz h GLN 55 Ca -0.48 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.14 1wvz h GLN 55 Cb 1.18 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.66 1wvz h GLN 55 CO 0.52 0.04 -0.16 0.93 -0.00 0.00 0.00 178.83 180.15 1wvz h GLU 56 N 0.00 0.00 -2.93 0.06 3.07 -2.00 -3.41 114.58 109.37 1wvz h GLU 56 Ca -0.00 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.54 1wvz h GLU 56 Cb 0.13 0.00 -0.36 0.00 -0.84 0.00 0.00 28.75 27.68 1wvz h GLU 56 CO 0.00 0.16 -0.64 -1.58 -1.40 0.00 0.00 179.01 175.55 1wvz s HIS 57 N -4.65 -0.17 0.06 4.33 2.46 -0.55 -5.06 115.29 111.72 1wvz s HIS 57 Ca -0.04 0.41 0.03 0.00 0.47 0.00 0.00 55.06 55.94 1wvz s HIS 57 Cb 0.16 -0.33 -0.03 0.00 -0.13 0.00 0.00 32.58 32.25 1wvz s HIS 57 CO 0.69 -0.39 -0.10 0.50 -2.47 0.00 0.00 174.74 172.97 1wvz s ARG 58 N 2.29 0.69 -0.78 2.88 3.52 -1.26 -4.02 118.95 122.27 1wvz s ARG 58 Ca 0.04 -0.91 -0.25 0.00 -0.13 0.00 0.00 55.73 54.47 1wvz s ARG 58 Cb -0.13 -0.51 -0.03 0.00 -1.56 0.00 0.00 34.95 32.72 1wvz s ARG 58 CO -0.08 0.10 1.85 0.42 -0.81 0.00 0.00 175.30 176.78 1wvz s ILE 59 N -1.60 3.45 0.00 4.11 -1.09 -1.22 -2.47 121.20 122.38 1wvz s ILE 59 Ca -0.04 -0.11 0.00 0.00 -2.23 0.00 0.00 60.65 58.27 1wvz s ILE 59 Cb -0.08 -4.08 0.00 0.00 -1.58 0.00 0.00 42.46 36.72 1wvz s ILE 59 CO 0.01 -1.03 0.00 0.61 -1.23 0.00 0.00 174.94 173.30 1wvz n GLY 60 N 6.29 1.48 0.00 6.18 0.00 -1.26 -4.08 105.19 113.80 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 -1.78 4.08 3.14 -0.02 0.00 -1.03 -4.99 105.19 104.59 1wvz n GLY 61 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 46.02 44.09 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 -2.29 2.09 -0.08 1.61 1.13 -1.26 -3.84 117.35 114.72 1wvz s TYR 62 Ca 0.00 -0.81 -0.01 0.00 -1.41 0.00 0.00 57.07 54.84 1wvz s TYR 62 Cb 0.00 -1.43 0.03 0.00 -1.10 0.00 0.00 41.96 39.46 1wvz s TYR 62 CO 0.00 -0.34 -0.02 0.15 -2.51 0.00 0.00 175.55 172.83 1wvz s LYS 63 N 0.42 0.83 -0.00 -3.49 1.02 -0.97 -5.09 119.74 112.46 1wvz s LYS 63 Ca -0.16 0.00 0.01 0.00 0.02 0.00 0.00 55.97 55.84 1wvz s LYS 63 Cb -0.17 -1.08 0.00 0.00 -0.52 0.00 0.00 37.83 36.06 1wvz s LYS 63 CO 0.06 -0.27 -0.02 0.14 -0.92 0.00 0.00 175.35 174.35 1wvz s VAL 64 N 1.78 0.16 0.01 3.17 -7.23 -1.26 -0.56 120.40 116.46 1wvz s VAL 64 Ca 0.03 -0.08 -0.30 0.00 -1.81 0.00 0.00 61.98 59.82 1wvz s VAL 64 Cb -0.13 -0.15 -0.04 0.00 0.56 0.00 0.00 36.38 36.63 1wvz s VAL 64 CO -0.05 0.05 1.15 -0.13 -0.31 0.00 0.00 175.10 175.81 1wvz s ARG 65 N 0.01 4.43 -0.95 4.82 0.52 -0.98 -4.92 118.95 121.89 1wvz s ARG 65 Ca 0.00 1.66 -0.08 0.00 -0.52 0.00 0.00 55.73 56.79 1wvz s ARG 65 Cb -0.02 -3.44 -0.14 0.00 0.52 0.00 0.00 34.95 31.88 1wvz s ARG 65 CO -0.00 -0.28 2.95 0.27 0.02 0.00 0.00 175.30 178.26 1wvz n ASN 66 N 4.36 6.76 -0.72 0.23 6.94 -1.26 -3.44 115.26 128.14 1wvz n ASN 66 Ca 0.09 -2.46 -0.03 0.00 -0.02 0.00 0.00 54.58 52.15 1wvz n ASN 66 Cb 0.47 -1.39 -0.03 0.00 -2.36 0.00 0.00 39.78 36.47 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1wvz n GLN 67 N 3.32 0.00 -4.23 -3.83 6.02 -1.26 -5.03 117.38 112.37 1wvz n GLN 67 Ca 0.60 -0.45 -0.35 0.00 -0.01 0.00 0.00 57.00 56.79 1wvz n GLN 67 Cb 0.42 0.23 -0.06 0.00 1.02 0.00 0.00 30.24 31.85 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 0.00 -1.32 0.01 1.08 1.44 -1.22 -4.85 115.22 110.36 1wvz n HIS 68 Ca -0.13 0.48 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 1wvz n HIS 68 Cb 0.58 -2.86 0.00 0.00 0.12 0.00 0.00 29.99 27.83 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 -4.69 -0.02 -4.29 -1.40 -0.00 -1.26 -3.56 117.44 102.21 1wvz n TRP 69 Ca -0.27 0.00 -0.18 0.00 -0.00 0.00 0.00 57.50 57.05 1wvz n TRP 69 Cb 0.66 0.02 -0.11 0.00 -0.00 0.00 0.00 31.31 31.89 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 -5.19 2.26 -0.04 5.87 0.01 -1.26 -2.47 113.70 112.87 1wvz s SER 70 Ca 0.00 -0.92 -0.04 0.00 1.31 0.00 0.00 55.95 56.30 1wvz s SER 70 Cb 0.00 -0.09 0.01 0.00 0.21 0.00 0.00 66.02 66.15 1wvz s SER 70 CO 0.00 -0.17 0.11 -1.48 0.41 0.00 0.00 173.24 172.12 1wvz s LEU 71 N -2.88 1.49 -0.13 2.44 2.34 0.28 -2.32 118.68 119.90 1wvz s LEU 71 Ca 0.16 0.23 0.01 0.00 0.06 0.00 0.00 54.13 54.59 1wvz s LEU 71 Cb -0.02 0.37 0.02 0.00 -0.56 0.00 0.00 46.19 45.99 1wvz s LEU 71 CO 0.04 -0.05 -0.16 -0.51 -1.06 0.00 0.00 176.35 174.61 1wvz s ILE 72 N 0.18 1.63 -0.00 1.48 -1.16 0.28 1.00 121.20 124.60 1wvz s ILE 72 Ca -0.01 -0.70 0.07 0.00 -0.51 0.00 0.00 60.65 59.49 1wvz s ILE 72 Cb -0.02 -1.49 -0.02 0.00 0.61 0.00 0.00 42.46 41.54 1wvz s ILE 72 CO -0.00 0.47 -0.21 0.00 -2.81 0.00 0.00 174.94 172.38 1wvz s MET 73 N 1.10 1.62 -0.29 3.50 0.23 -0.80 -2.29 119.30 122.37 1wvz s MET 73 Ca -0.03 -0.79 -0.15 0.00 -1.03 0.00 0.00 55.69 53.69 1wvz s MET 73 Cb -0.14 -1.60 -0.03 0.00 -1.53 0.00 0.00 34.83 31.53 1wvz s MET 73 CO -0.04 0.43 0.39 -2.00 -2.03 0.00 0.00 175.02 171.77 1wvz s GLU 74 N -0.64 3.89 -0.35 3.16 2.56 -1.25 0.57 118.70 126.64 1wvz s GLU 74 Ca 0.08 -0.06 0.01 0.00 0.00 0.00 0.00 54.97 55.01 1wvz s GLU 74 Cb -0.08 -3.70 0.11 0.00 2.00 0.00 0.00 34.13 32.46 1wvz s GLU 74 CO -0.00 -0.36 0.12 -1.54 -0.56 0.00 0.00 175.26 172.91 1wvz s SER 75 N 1.67 4.19 -0.12 -1.70 1.04 -1.24 -3.38 113.70 114.16 1wvz s SER 75 Ca 0.15 -2.03 -0.17 0.00 0.48 0.00 0.00 55.95 54.38 1wvz s SER 75 Cb -0.16 -1.15 -0.26 0.00 0.10 0.00 0.00 66.02 64.55 1wvz s SER 75 CO 0.11 -0.37 0.54 1.62 0.98 0.00 0.00 173.24 176.11 1wvz h VAL 76 N 6.25 1.06 0.03 5.02 3.04 -1.81 -3.29 116.25 126.56 1wvz h VAL 76 Ca -0.08 -2.38 -0.30 0.00 -1.01 0.00 0.00 66.70 62.93 1wvz h VAL 76 Cb 0.99 2.71 -0.04 0.00 -2.01 0.00 0.00 31.29 32.95 1wvz h VAL 76 CO 0.50 0.66 -1.62 0.52 -1.01 0.00 0.00 177.57 176.62 1wvz n VAL 77 N -4.01 1.59 0.28 1.51 0.31 -1.26 -4.19 118.33 112.56 1wvz n VAL 77 Ca -0.25 -0.23 0.18 0.00 -0.01 0.00 0.00 64.34 64.04 1wvz n VAL 77 Cb 0.86 -1.93 0.96 0.00 -0.91 0.00 0.00 33.84 32.81 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 -0.73 0.00 -0.26 5.55 0.11 -1.96 -2.51 132.00 132.21 1wvz h PRO 78 Ca -0.42 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.77 1wvz h PRO 78 Cb 1.53 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.63 1wvz h PRO 78 CO -0.17 0.00 0.41 1.03 -0.21 0.00 0.00 178.00 179.06 1wvz h SER 79 N 0.00 0.00 -0.42 -2.05 0.87 -1.73 0.13 113.55 110.35 1wvz h SER 79 Ca 0.00 0.00 0.12 0.00 -1.23 0.00 0.00 61.79 60.68 1wvz h SER 79 Cb 0.05 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 1wvz h SER 79 CO 0.00 0.00 0.48 -0.78 -0.53 0.00 0.00 176.83 176.00 1wvz h ASP 80 N 0.00 0.00 -3.63 6.23 3.58 -1.73 -3.35 116.42 117.53 1wvz h ASP 80 Ca 0.12 0.00 -0.69 0.00 0.42 0.00 0.00 57.03 56.88 1wvz h ASP 80 Cb 0.94 0.00 -0.26 0.00 1.72 0.00 0.00 39.33 41.73 1wvz h ASP 80 CO -0.00 0.00 -0.59 -0.54 -2.88 0.00 0.00 179.24 175.23 1wvz s LYS 81 N -4.58 2.90 -0.92 0.28 1.02 0.45 -4.83 119.74 114.06 1wvz s LYS 81 Ca -0.04 -1.00 -0.02 0.00 0.02 0.00 0.00 55.97 54.93 1wvz s LYS 81 Cb 0.15 -3.50 0.27 0.00 -0.52 0.00 0.00 37.83 34.23 1wvz s LYS 81 CO 0.53 -0.57 2.11 0.41 -0.92 0.00 0.00 175.35 176.91 1wvz n GLY 82 N 4.89 5.54 2.95 -3.33 0.00 -1.26 -4.86 105.19 109.12 1wvz n GLY 82 Ca -0.13 -2.38 -0.30 0.00 0.00 0.00 0.00 46.02 43.21 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 -0.79 3.76 -0.15 1.61 3.84 -1.26 -0.83 114.94 121.12 1wvz s ASN 83 Ca 0.49 -1.12 -0.01 0.00 0.21 0.00 0.00 52.86 52.42 1wvz s ASN 83 Cb 0.31 -1.18 -0.01 0.00 -0.55 0.00 0.00 41.25 39.82 1wvz s ASN 83 CO -0.25 -0.22 -0.11 -0.31 -2.79 0.00 0.00 177.10 173.42 1wvz s TYR 84 N 1.40 2.86 -0.14 0.43 1.51 -1.07 -1.27 117.35 121.07 1wvz s TYR 84 Ca -0.05 -0.69 0.00 0.00 -1.01 0.00 0.00 57.07 55.32 1wvz s TYR 84 Cb -0.18 -1.90 0.02 0.00 -0.11 0.00 0.00 41.96 39.78 1wvz s TYR 84 CO -0.06 -0.27 -0.13 0.99 -1.11 0.00 0.00 175.55 174.97 1wvz s THR 85 N 0.58 1.43 -0.42 -0.71 2.01 0.50 0.37 115.64 119.40 1wvz s THR 85 Ca -0.07 -0.55 -0.14 0.00 0.31 0.00 0.00 61.69 61.25 1wvz s THR 85 Cb -0.15 -1.36 0.04 0.00 0.01 0.00 0.00 72.50 71.04 1wvz s THR 85 CO 0.03 0.44 0.30 0.00 -0.69 0.00 0.00 174.62 174.70 1wvz s VAL 87 N 1.62 3.77 -0.33 0.00 1.01 -0.97 -0.46 120.40 125.04 1wvz s VAL 87 Ca 0.04 -1.62 -0.10 0.00 0.00 0.00 0.00 61.98 60.30 1wvz s VAL 87 Cb -0.21 -3.38 -0.00 0.00 0.00 0.00 0.00 36.38 32.79 1wvz s VAL 87 CO 0.08 -0.52 0.18 0.54 0.00 0.00 0.00 175.10 175.37 1wvz s VAL 88 N 1.31 4.69 0.23 2.92 0.11 -0.83 0.14 120.40 128.98 1wvz s VAL 88 Ca 0.04 -0.49 0.07 0.00 -2.93 0.00 0.00 61.98 58.67 1wvz s VAL 88 Cb -0.23 -3.44 -0.04 0.00 -1.53 0.00 0.00 36.38 31.14 1wvz s VAL 88 CO -0.00 -0.01 0.11 -0.70 -3.33 0.00 0.00 175.10 171.17 1wvz s GLU 89 N 1.62 2.70 0.26 1.54 2.12 0.42 -1.94 118.70 125.43 1wvz s GLU 89 Ca 0.04 -1.11 0.04 0.00 0.36 0.00 0.00 54.97 54.30 1wvz s GLU 89 Cb -0.18 -2.46 -0.01 0.00 0.26 0.00 0.00 34.13 31.74 1wvz s GLU 89 CO 0.07 0.41 0.27 0.27 -0.54 0.00 0.00 175.26 175.74 1wvz n ASN 90 N -0.82 -0.70 0.05 -1.70 0.23 0.24 -1.91 115.26 110.65 1wvz n ASN 90 Ca -0.08 -2.62 0.09 0.00 -0.53 0.00 0.00 54.58 51.44 1wvz n ASN 90 Cb 0.57 1.50 0.38 0.00 -2.08 0.00 0.00 39.78 40.15 1wvz n ASN 90 CO 0.00 0.00 0.00 1.21 -0.93 0.00 0.00 177.26 177.54 1wvz n GLU 91 N -0.47 0.08 -0.04 -3.83 0.00 -1.26 -2.60 120.64 112.51 1wvz n GLU 91 Ca 0.04 0.32 0.05 0.00 0.00 0.00 0.00 57.16 57.57 1wvz n GLU 91 Cb 0.46 -1.65 0.07 0.00 0.00 0.00 0.00 31.44 30.32 1wvz n GLU 91 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1wvz n TYR 92 N -1.80 0.11 0.00 4.31 4.01 -1.26 -5.03 117.16 117.50 1wvz n TYR 92 Ca 0.03 -0.13 0.00 0.00 -0.16 0.00 0.00 57.90 57.64 1wvz n TYR 92 Cb 0.19 -0.01 0.00 0.00 -0.31 0.00 0.00 39.34 39.22 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1wvz n GLY 93 N 0.51 1.84 3.07 2.72 0.00 -1.07 -4.96 105.19 107.31 1wvz n GLY 93 Ca 0.07 -1.28 -0.22 0.00 0.00 0.00 0.00 46.02 44.58 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 1.59 0.18 1.61 1.04 -1.26 0.80 113.70 117.66 1wvz s SER 94 Ca 0.00 -0.25 0.10 0.00 0.48 0.00 0.00 55.95 56.28 1wvz s SER 94 Cb 0.00 -0.33 -0.04 0.00 0.10 0.00 0.00 66.02 65.75 1wvz s SER 94 CO 0.00 0.13 -0.21 -0.63 0.98 0.00 0.00 173.24 173.51 1wvz s ILE 95 N -0.05 2.07 -0.02 -1.02 1.01 -0.82 -4.97 121.20 117.40 1wvz s ILE 95 Ca 0.00 -1.98 0.05 0.00 0.00 0.00 0.00 60.65 58.72 1wvz s ILE 95 Cb -0.08 -1.98 -0.01 0.00 0.01 0.00 0.00 42.46 40.40 1wvz s ILE 95 CO 0.00 -0.24 -0.17 0.54 0.00 0.00 0.00 174.94 175.08 1wvz s ASN 96 N -2.70 2.02 -0.03 3.58 2.20 -1.26 -1.96 114.94 116.79 1wvz s ASN 96 Ca 0.18 -0.31 0.01 0.00 -0.94 0.00 0.00 52.86 51.80 1wvz s ASN 96 Cb -0.07 -0.25 0.02 0.00 -2.00 0.00 0.00 41.25 38.95 1wvz s ASN 96 CO 0.08 0.21 -0.04 -1.00 -2.94 0.00 0.00 177.10 173.41 1wvz s HIS 97 N -0.36 0.59 0.08 1.54 3.76 0.39 -4.97 115.29 116.31 1wvz s HIS 97 Ca 0.06 -0.13 0.06 0.00 -0.15 0.00 0.00 55.06 54.90 1wvz s HIS 97 Cb -0.07 -0.53 -0.04 0.00 1.11 0.00 0.00 32.58 33.06 1wvz s HIS 97 CO -0.00 -0.13 -0.09 0.99 -0.85 0.00 0.00 174.74 174.65 1wvz s THR 98 N 0.69 3.45 -0.01 1.30 2.01 -1.26 0.11 115.64 121.93 1wvz s THR 98 Ca -0.08 -1.13 0.01 0.00 0.31 0.00 0.00 61.69 60.80 1wvz s THR 98 Cb -0.12 -2.58 0.01 0.00 0.01 0.00 0.00 72.50 69.82 1wvz s THR 98 CO -0.00 0.19 -0.03 -0.31 -0.69 0.00 0.00 174.62 173.78 1wvz s TYR 99 N -1.15 0.34 -0.50 4.92 2.02 0.16 -4.97 117.35 118.17 1wvz s TYR 99 Ca 0.20 -0.05 -0.24 0.00 -0.37 0.00 0.00 57.07 56.61 1wvz s TYR 99 Cb -0.11 -0.29 0.03 0.00 -0.40 0.00 0.00 41.96 41.19 1wvz s TYR 99 CO 0.12 -0.05 0.88 -1.01 -1.57 0.00 0.00 175.55 173.92 1wvz s HIS 100 N 0.29 2.89 0.10 2.71 3.76 -1.26 -2.61 115.29 121.17 1wvz s HIS 100 Ca -0.03 0.12 0.09 0.00 -0.15 0.00 0.00 55.06 55.09 1wvz s HIS 100 Cb -0.06 -3.91 -0.04 0.00 1.11 0.00 0.00 32.58 29.68 1wvz s HIS 100 CO -0.01 -1.17 -0.19 -0.51 -0.85 0.00 0.00 174.74 172.01 1wvz s LEU 101 N 3.66 2.63 -0.07 0.89 2.01 -0.01 -2.08 118.68 125.70 1wvz s LEU 101 Ca 0.31 -0.55 -0.01 0.00 0.01 0.00 0.00 54.13 53.90 1wvz s LEU 101 Cb -0.12 -1.50 0.03 0.00 0.01 0.00 0.00 46.19 44.61 1wvz s LEU 101 CO 0.22 0.20 -0.01 -0.62 1.01 0.00 0.00 176.35 177.15 1wvz s ASP 102 N -1.94 1.56 0.07 2.29 2.15 0.45 -4.17 116.67 117.07 1wvz s ASP 102 Ca 0.17 -0.11 -0.30 0.00 0.43 0.00 0.00 52.55 52.73 1wvz s ASP 102 Cb -0.10 -0.48 -0.05 0.00 -0.30 0.00 0.00 42.92 41.98 1wvz s ASP 102 CO 0.08 -0.17 1.06 0.54 -0.17 0.00 0.00 175.17 176.52 1wvz s VAL 103 N 1.82 4.39 0.00 1.11 0.11 -1.26 -2.00 120.40 124.57 1wvz s VAL 103 Ca 0.03 1.80 0.00 0.00 -2.93 0.00 0.00 61.98 60.88 1wvz s VAL 103 Cb -0.13 -4.15 0.00 0.00 -1.53 0.00 0.00 36.38 30.57 1wvz s VAL 103 CO -0.05 0.19 0.46 0.52 -3.33 0.00 0.00 175.10 172.89