#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 -0.60 -4.48 6.41 5.03 -1.26 -4.33 115.26 116.03 1wvz n ASN 5 Ca 0.00 0.00 -0.41 0.00 0.87 0.00 0.00 54.58 55.04 1wvz n ASN 5 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 1wvz s LYS 6 N 0.00 3.26 -0.22 3.52 2.47 -1.26 -4.28 119.74 123.22 1wvz s LYS 6 Ca 0.00 -0.80 -0.04 0.00 -1.56 0.00 0.00 55.97 53.56 1wvz s LYS 6 Cb 0.00 -3.80 -0.01 0.00 -1.46 0.00 0.00 37.83 32.55 1wvz s LYS 6 CO 0.00 -0.55 -0.03 1.03 0.16 0.00 0.00 175.35 175.96 1wvz s ARG 7 N 1.67 3.43 -0.68 4.03 3.00 -1.26 -4.46 118.95 124.68 1wvz s ARG 7 Ca 0.05 -0.60 -0.39 0.00 0.00 0.00 0.00 55.73 54.79 1wvz s ARG 7 Cb -0.18 -3.04 -0.20 0.00 0.00 0.00 0.00 34.95 31.53 1wvz s ARG 7 CO 0.09 -0.18 2.35 0.00 0.00 0.00 0.00 175.30 177.57 1wvz n ALA 8 N 4.75 0.28 -1.98 2.13 0.00 -1.26 -2.85 120.51 121.58 1wvz n ALA 8 Ca -0.18 -0.00 -0.42 0.00 0.00 0.00 0.00 53.44 52.84 1wvz n ALA 8 Cb 0.51 -2.17 -0.03 0.00 0.00 0.00 0.00 19.45 17.76 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 7.14 4.24 0.35 0.00 0.04 -1.26 -4.77 135.00 140.74 1wvz s PRO 9 Ca 1.25 2.30 -0.19 0.00 0.04 0.00 0.00 61.00 64.41 1wvz s PRO 9 Cb -1.38 -3.17 -0.10 0.00 0.04 0.00 0.00 34.50 29.89 1wvz s PRO 9 CO 0.59 -0.56 0.83 1.52 0.04 0.00 0.00 177.00 179.42 1wvz s TYR 10 N 1.04 3.40 0.01 0.56 -0.85 0.43 -4.59 117.35 117.35 1wvz s TYR 10 Ca 0.68 1.43 -0.30 0.00 -0.52 0.00 0.00 57.07 58.36 1wvz s TYR 10 Cb -0.42 -2.69 -0.05 0.00 0.38 0.00 0.00 41.96 39.18 1wvz s TYR 10 CO 0.32 0.05 1.26 -1.58 -1.52 0.00 0.00 175.55 174.08 1wvz s TRP 11 N -1.99 3.20 -0.17 -3.49 0.51 -1.26 0.61 118.94 116.35 1wvz s TRP 11 Ca 0.56 1.13 -0.15 0.00 -2.12 0.00 0.00 56.10 55.52 1wvz s TRP 11 Cb -0.11 -3.50 -0.05 0.00 -0.81 0.00 0.00 33.47 29.00 1wvz s TRP 11 CO 0.17 -1.64 -0.28 0.25 -0.51 0.00 0.00 176.95 174.93 1wvz n THR 12 N 4.34 1.47 -3.81 2.01 -2.24 -1.07 -4.91 114.28 110.07 1wvz n THR 12 Ca 0.11 0.17 -0.35 0.00 -2.27 0.00 0.00 64.05 61.70 1wvz n THR 12 Cb 0.45 -2.36 -0.08 0.00 -2.10 0.00 0.00 70.33 66.24 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 -5.86 6.14 0.24 3.42 0.01 -1.26 -5.06 114.94 112.57 1wvz s ASN 13 Ca -0.24 0.25 -0.30 0.00 -0.71 0.00 0.00 52.86 51.86 1wvz s ASN 13 Cb 0.03 -2.06 -0.10 0.00 0.41 0.00 0.00 41.25 39.54 1wvz s ASN 13 CO 0.35 0.22 1.46 0.42 -1.51 0.00 0.00 177.10 178.04 1wvz s THR 14 N 0.10 2.64 -0.48 1.60 -4.23 -1.26 -4.77 115.64 109.24 1wvz s THR 14 Ca 0.09 0.53 0.26 0.00 -1.18 0.00 0.00 61.69 61.38 1wvz s THR 14 Cb -0.11 -3.34 0.32 0.00 1.34 0.00 0.00 72.50 70.70 1wvz s THR 14 CO -0.01 0.08 1.73 1.05 -0.54 0.00 0.00 174.62 176.94 1wvz h GLU 15 N 5.18 0.00 0.00 3.99 -0.00 -1.97 -2.87 114.58 118.91 1wvz h GLU 15 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 58.90 1wvz h GLU 15 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 1wvz h GLU 15 CO 0.79 0.00 0.00 -0.22 -0.00 0.00 0.00 179.01 179.58 1wvz h LYS 16 N 0.00 0.00 0.00 1.06 3.64 -1.91 0.70 116.57 120.06 1wvz h LYS 16 Ca 0.00 0.00 -0.03 0.00 -1.27 0.00 0.00 60.65 59.35 1wvz h LYS 16 Cb 0.76 0.00 -0.07 0.00 -0.41 0.00 0.00 32.23 32.51 1wvz h LYS 16 CO 0.00 0.00 -0.47 -1.33 -2.27 0.00 0.00 179.45 175.38 1wvz n MET 17 N -3.02 1.00 0.11 1.90 2.81 -1.10 -4.43 117.12 114.39 1wvz n MET 17 Ca 0.01 -2.56 0.00 0.00 -1.81 0.00 0.00 57.70 53.33 1wvz n MET 17 Cb 0.29 -1.13 0.00 0.00 -0.71 0.00 0.00 33.22 31.66 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 -0.75 0.00 -0.00 0.03 0.00 -1.08 -4.97 120.64 113.87 1wvz n GLU 18 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.30 1wvz n GLU 18 Cb 0.77 -0.04 -0.00 0.00 0.00 0.00 0.00 31.44 32.16 1wvz n GLU 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.13 178.30 1wvz n LYS 19 N -3.29 5.99 0.00 5.31 3.00 -0.94 -4.90 118.16 123.33 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 -0.59 0.00 0.00 0.00 0.00 0.00 35.03 34.44 1wvz n LYS 19 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 1wvz n ARG 20 N -1.08 0.00 -2.16 1.64 0.63 0.24 -4.10 116.66 111.83 1wvz n ARG 20 Ca 0.00 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.59 1wvz n ARG 20 Cb 0.01 0.00 -0.04 0.00 0.45 0.00 0.00 32.46 32.88 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 -2.51 0.00 0.00 177.63 173.95 1wvz s LEU 21 N 0.00 3.25 0.35 6.15 1.98 -1.06 -2.11 118.68 127.24 1wvz s LEU 21 Ca 0.00 -0.44 0.05 0.00 -2.89 0.00 0.00 54.13 50.85 1wvz s LEU 21 Cb 0.00 -2.55 -0.03 0.00 0.66 0.00 0.00 46.19 44.27 1wvz s LEU 21 CO 0.00 -2.38 0.21 -2.28 -1.89 0.00 0.00 176.35 170.01 1wvz s HIS 22 N 8.67 1.72 -0.11 5.38 2.46 -1.06 -4.92 115.29 127.43 1wvz s HIS 22 Ca 0.63 -1.49 -0.02 0.00 0.47 0.00 0.00 55.06 54.64 1wvz s HIS 22 Cb -0.08 -0.88 -0.03 0.00 -0.13 0.00 0.00 32.58 31.46 1wvz s HIS 22 CO 0.06 -0.63 -0.03 0.00 -2.47 0.00 0.00 174.74 171.68 1wvz s ALA 23 N -3.41 3.11 -0.12 1.58 0.00 -1.26 -2.20 121.76 119.46 1wvz s ALA 23 Ca 0.34 -0.83 0.01 0.00 0.00 0.00 0.00 51.96 51.48 1wvz s ALA 23 Cb 0.03 -1.46 0.02 0.00 0.00 0.00 0.00 23.12 21.70 1wvz s ALA 23 CO 0.21 0.43 -0.15 0.54 0.00 0.00 0.00 175.76 176.79 1wvz s VAL 24 N -0.35 1.52 0.18 0.00 0.11 -0.92 -4.92 120.40 116.01 1wvz s VAL 24 Ca 0.06 -0.64 -0.30 0.00 -2.93 0.00 0.00 61.98 58.17 1wvz s VAL 24 Cb -0.12 -1.40 -0.08 0.00 -1.53 0.00 0.00 36.38 33.26 1wvz s VAL 24 CO 0.02 0.45 1.09 -2.16 -3.33 0.00 0.00 175.10 171.16 1wvz s PRO 25 N 1.11 4.61 0.34 1.54 0.04 -1.26 -2.27 135.00 139.11 1wvz s PRO 25 Ca -0.04 1.70 -0.27 0.00 0.04 0.00 0.00 61.00 62.43 1wvz s PRO 25 Cb -0.14 -3.28 -0.09 0.00 0.04 0.00 0.00 34.50 31.03 1wvz s PRO 25 CO -0.04 0.10 1.14 0.00 0.04 0.00 0.00 177.00 178.25 1wvz s ALA 26 N -0.30 3.29 -1.08 8.56 0.00 -0.81 -3.03 121.76 128.38 1wvz s ALA 26 Ca 0.49 0.94 0.00 0.00 0.00 0.00 0.00 51.96 53.38 1wvz s ALA 26 Cb -0.29 -3.36 0.00 0.00 0.00 0.00 0.00 23.12 19.47 1wvz s ALA 26 CO 0.35 -0.35 0.00 0.00 0.00 0.00 0.00 175.76 175.76 1wvz n ALA 27 N 0.58 -0.22 -2.52 0.00 0.00 -1.21 -5.01 120.51 112.13 1wvz n ALA 27 Ca 0.02 0.15 -0.24 0.00 0.00 0.00 0.00 53.44 53.36 1wvz n ALA 27 Cb 0.46 -1.34 -0.11 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.76 3.08 0.28 0.00 -0.87 -1.17 -4.85 114.94 108.65 1wvz s ASN 28 Ca 0.00 -1.35 -0.29 0.00 -1.57 0.00 0.00 52.86 49.65 1wvz s ASN 28 Cb 0.00 -0.23 -0.09 0.00 -0.02 0.00 0.00 41.25 40.90 1wvz s ASN 28 CO 0.00 -0.50 0.97 0.42 -2.57 0.00 0.00 177.10 175.42 1wvz s THR 29 N -3.00 4.00 -0.25 1.60 -4.23 -1.26 -3.46 115.64 109.03 1wvz s THR 29 Ca 0.35 1.89 -0.18 0.00 -1.18 0.00 0.00 61.69 62.57 1wvz s THR 29 Cb 0.09 -4.15 -0.03 0.00 1.34 0.00 0.00 72.50 69.74 1wvz s THR 29 CO 0.16 0.36 0.52 -0.69 -0.54 0.00 0.00 174.62 174.43 1wvz s VAL 30 N -1.32 5.07 -0.17 2.29 1.01 0.25 -4.84 120.40 122.69 1wvz s VAL 30 Ca 0.45 0.91 -0.23 0.00 0.00 0.00 0.00 61.98 63.11 1wvz s VAL 30 Cb -0.25 -3.84 -0.02 0.00 0.00 0.00 0.00 36.38 32.27 1wvz s VAL 30 CO 0.31 0.10 0.72 -0.75 0.00 0.00 0.00 175.10 175.47 1wvz s LYS 31 N 2.22 4.27 -0.14 2.72 2.36 -1.26 -1.39 119.74 128.51 1wvz s LYS 31 Ca 0.22 0.80 0.00 0.00 -2.55 0.00 0.00 55.97 54.44 1wvz s LYS 31 Cb -0.16 -3.56 0.03 0.00 -1.05 0.00 0.00 37.83 33.09 1wvz s LYS 31 CO 0.09 -0.25 -0.11 -0.06 1.55 0.00 0.00 175.35 176.57 1wvz s PHE 32 N 1.90 1.96 -0.11 4.03 0.08 -0.18 -5.01 117.98 120.64 1wvz s PHE 32 Ca 0.33 -1.10 -0.01 0.00 0.12 0.00 0.00 56.93 56.27 1wvz s PHE 32 Cb -0.16 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.78 1wvz s PHE 32 CO 0.12 -0.63 -0.06 1.03 -0.10 0.00 0.00 175.22 175.58 1wvz s ARG 33 N 1.55 3.22 -0.42 0.44 3.00 -1.26 0.56 118.95 126.05 1wvz s ARG 33 Ca 0.04 -0.54 0.08 0.00 0.00 0.00 0.00 55.73 55.32 1wvz s ARG 33 Cb -0.13 -2.75 0.30 0.00 0.00 0.00 0.00 34.95 32.37 1wvz s ARG 33 CO -0.10 0.45 0.79 0.00 0.00 0.00 0.00 175.30 176.44 1wvz s PRO 35 N -0.89 4.02 -0.15 0.00 0.04 -1.12 -4.43 135.00 132.47 1wvz s PRO 35 Ca 0.33 1.84 -0.04 0.00 0.04 0.00 0.00 61.00 63.17 1wvz s PRO 35 Cb 0.27 -3.96 0.07 0.00 0.04 0.00 0.00 34.50 30.91 1wvz s PRO 35 CO -0.11 -1.02 0.19 0.00 0.04 0.00 0.00 177.00 176.10 1wvz s ALA 36 N 4.44 -0.19 -0.11 8.56 0.00 -1.24 -2.59 121.76 130.63 1wvz s ALA 36 Ca 0.68 0.39 -0.26 0.00 0.00 0.00 0.00 51.96 52.78 1wvz s ALA 36 Cb -0.27 -1.07 -0.02 0.00 0.00 0.00 0.00 23.12 21.76 1wvz s ALA 36 CO 0.26 -0.89 0.83 0.20 0.00 0.00 0.00 175.76 176.16 1wvz s GLY 37 N 2.31 2.39 0.00 0.00 0.00 0.20 -4.61 107.32 107.61 1wvz s GLY 37 Ca 0.04 0.16 0.00 0.00 0.00 0.00 0.00 44.72 44.93 1wvz s GLY 37 CO -0.09 1.55 0.00 0.61 0.00 0.00 0.00 173.10 175.17 1wvz n GLY 38 N 3.25 2.23 3.94 0.20 0.00 -1.26 0.16 105.19 113.71 1wvz n GLY 38 Ca 0.03 -0.31 -0.28 0.00 0.00 0.00 0.00 46.02 45.47 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 3.84 -0.04 1.61 0.02 -1.13 -4.95 114.94 116.29 1wvz s ASN 39 Ca 0.00 0.24 0.01 0.00 -1.02 0.00 0.00 52.86 52.09 1wvz s ASN 39 Cb 0.00 -0.52 0.10 0.00 0.02 0.00 0.00 41.25 40.85 1wvz s ASN 39 CO 0.00 -2.25 0.78 -0.81 0.02 0.00 0.00 177.10 174.84 1wvz n PRO 40 N -3.37 1.41 -3.47 -0.60 -0.04 -1.26 -4.45 135.00 123.23 1wvz n PRO 40 Ca 0.13 -0.40 -0.27 0.00 -0.04 0.00 0.00 63.50 62.92 1wvz n PRO 40 Cb 0.60 -1.48 -0.09 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.13 2.14 -3.37 0.54 1.56 -1.26 -5.06 117.12 111.81 1wvz n MET 41 Ca 0.05 -4.43 -0.38 0.00 -0.27 0.00 0.00 57.70 52.67 1wvz n MET 41 Cb 0.44 -2.12 -0.06 0.00 2.15 0.00 0.00 33.22 33.63 1wvz n MET 41 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1wvz s PRO 42 N -2.10 4.25 -0.30 2.12 0.04 -1.26 -4.64 135.00 133.10 1wvz s PRO 42 Ca 0.37 0.42 0.01 0.00 0.04 0.00 0.00 61.00 61.83 1wvz s PRO 42 Cb 0.12 -3.39 0.09 0.00 0.04 0.00 0.00 34.50 31.36 1wvz s PRO 42 CO -0.05 0.28 0.06 0.99 0.04 0.00 0.00 177.00 178.32 1wvz s THR 43 N 0.22 1.35 0.15 1.26 2.01 -0.93 -5.05 115.64 114.66 1wvz s THR 43 Ca 0.25 -1.59 0.10 0.00 0.31 0.00 0.00 61.69 60.76 1wvz s THR 43 Cb -0.15 -1.94 -0.04 0.00 0.01 0.00 0.00 72.50 70.38 1wvz s THR 43 CO 0.11 -0.54 -0.23 0.00 -0.69 0.00 0.00 174.62 173.27 1wvz s MET 44 N 1.40 1.36 0.07 4.92 0.23 -1.26 0.19 119.30 126.20 1wvz s MET 44 Ca 0.07 -1.39 0.05 0.00 -1.03 0.00 0.00 55.69 53.40 1wvz s MET 44 Cb -0.18 -1.64 -0.04 0.00 -1.53 0.00 0.00 34.83 31.44 1wvz s MET 44 CO -0.16 0.36 -0.07 1.03 -2.03 0.00 0.00 175.02 174.15 1wvz s ARG 45 N -2.41 2.35 -0.24 3.16 0.52 0.15 -4.91 118.95 117.56 1wvz s ARG 45 Ca 0.15 -0.89 -0.06 0.00 -0.52 0.00 0.00 55.73 54.41 1wvz s ARG 45 Cb -0.08 -2.41 -0.02 0.00 0.52 0.00 0.00 34.95 32.96 1wvz s ARG 45 CO 0.07 0.55 0.03 -1.58 0.02 0.00 0.00 175.30 174.38 1wvz s TRP 46 N -1.16 3.04 -0.09 -0.53 0.51 -1.26 -2.69 118.94 116.76 1wvz s TRP 46 Ca 0.21 -0.61 -0.00 0.00 -2.12 0.00 0.00 56.10 53.58 1wvz s TRP 46 Cb -0.11 -2.18 0.02 0.00 -0.81 0.00 0.00 33.47 30.39 1wvz s TRP 46 CO 0.12 -0.42 -0.06 -1.17 -0.51 0.00 0.00 176.95 174.91 1wvz s LEU 47 N 1.53 1.14 -0.17 2.99 2.96 -1.05 -2.53 118.68 123.55 1wvz s LEU 47 Ca 0.06 -0.24 0.00 0.00 -0.22 0.00 0.00 54.13 53.73 1wvz s LEU 47 Cb -0.15 -0.73 0.04 0.00 0.50 0.00 0.00 46.19 45.85 1wvz s LEU 47 CO 0.01 -0.11 -0.10 -1.59 -1.32 0.00 0.00 176.35 173.24 1wvz s LYS 48 N 1.56 1.92 -1.66 1.98 -2.85 0.37 0.17 119.74 121.24 1wvz s LYS 48 Ca 0.01 -0.65 -0.16 0.00 -1.00 0.00 0.00 55.97 54.18 1wvz s LYS 48 Cb -0.13 -2.18 0.13 0.00 -2.06 0.00 0.00 37.83 33.60 1wvz s LYS 48 CO -0.05 -0.37 0.74 -1.71 0.10 0.00 0.00 175.35 174.06 1wvz n ASN 49 N 4.77 -2.93 -0.09 0.03 5.15 0.22 0.68 115.26 123.10 1wvz n ASN 49 Ca -0.14 -1.00 -0.01 0.00 -0.60 0.00 0.00 54.58 52.82 1wvz n ASN 49 Cb 0.48 -2.83 -0.00 0.00 -0.53 0.00 0.00 39.78 36.89 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 -1.51 0.42 3.13 8.20 0.00 -1.26 -5.04 105.19 109.13 1wvz n GLY 50 Ca 0.02 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.76 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 -2.67 2.48 -0.10 1.61 2.36 0.22 -5.13 119.74 118.51 1wvz s LYS 51 Ca 0.00 -0.68 -0.04 0.00 -2.55 0.00 0.00 55.97 52.70 1wvz s LYS 51 Cb 0.00 -1.95 -0.04 0.00 -1.05 0.00 0.00 37.83 34.80 1wvz s LYS 51 CO 0.00 0.09 0.08 -1.83 1.55 0.00 0.00 175.35 175.24 1wvz s GLU 52 N 0.56 3.23 0.01 4.03 1.03 -1.26 0.14 118.70 126.44 1wvz s GLU 52 Ca -0.15 -0.27 0.01 0.00 0.03 0.00 0.00 54.97 54.59 1wvz s GLU 52 Cb -0.17 -3.01 -0.01 0.00 -0.80 0.00 0.00 34.13 30.15 1wvz s GLU 52 CO 0.05 0.74 -0.03 0.12 -1.33 0.00 0.00 175.26 174.81 1wvz s PHE 53 N -0.99 0.27 0.09 4.83 5.36 -1.05 -5.01 117.98 121.49 1wvz s PHE 53 Ca 0.15 -0.16 -0.09 0.00 -0.96 0.00 0.00 56.93 55.87 1wvz s PHE 53 Cb -0.12 -0.18 -0.06 0.00 -0.34 0.00 0.00 43.02 42.33 1wvz s PHE 53 CO 0.04 -0.04 0.40 0.15 -1.46 0.00 0.00 175.22 174.32 1wvz s LYS 54 N -0.42 3.74 0.56 10.12 3.01 -1.26 -4.39 119.74 131.11 1wvz s LYS 54 Ca -0.03 0.14 0.32 0.00 -1.01 0.00 0.00 55.97 55.40 1wvz s LYS 54 Cb -0.03 -2.96 1.68 0.00 -1.01 0.00 0.00 37.83 35.51 1wvz s LYS 54 CO -0.00 0.54 2.14 0.37 0.51 0.00 0.00 175.35 178.91 1wvz h GLN 55 N 3.55 0.00 0.00 1.68 4.15 -2.00 -1.70 115.11 120.78 1wvz h GLN 55 Ca -0.49 0.00 -0.01 0.00 0.77 0.00 0.00 58.65 58.92 1wvz h GLN 55 Cb 1.19 0.00 -0.00 0.00 0.21 0.00 0.00 27.48 28.88 1wvz h GLN 55 CO 0.67 0.06 -0.07 0.93 -1.93 0.00 0.00 178.83 178.50 1wvz h GLU 56 N 0.00 0.00 -4.33 1.69 5.08 -2.02 -3.43 114.58 111.57 1wvz h GLU 56 Ca -0.00 0.00 -0.38 0.00 -1.00 0.00 0.00 59.36 57.97 1wvz h GLU 56 Cb 0.26 0.00 -0.31 0.00 0.50 0.00 0.00 28.75 29.20 1wvz h GLU 56 CO 0.01 0.07 -0.77 -1.58 -1.00 0.00 0.00 179.01 175.74 1wvz s HIS 57 N -3.73 0.71 0.00 4.33 2.46 -0.64 -5.04 115.29 113.38 1wvz s HIS 57 Ca 0.00 -0.16 -0.21 0.00 0.47 0.00 0.00 55.06 55.16 1wvz s HIS 57 Cb 0.10 -0.53 0.04 0.00 -0.13 0.00 0.00 32.58 32.06 1wvz s HIS 57 CO 0.56 -0.09 0.46 1.03 -2.47 0.00 0.00 174.74 174.23 1wvz s ARG 58 N 0.29 0.89 -0.60 2.88 0.52 -1.26 -4.30 118.95 117.37 1wvz s ARG 58 Ca -0.04 -0.15 -0.26 0.00 -0.52 0.00 0.00 55.73 54.76 1wvz s ARG 58 Cb -0.08 0.40 -0.03 0.00 0.52 0.00 0.00 34.95 35.76 1wvz s ARG 58 CO 0.00 -0.28 1.99 0.42 0.02 0.00 0.00 175.30 177.45 1wvz s ILE 59 N -1.81 3.27 0.00 1.52 1.09 -1.25 -2.37 121.20 121.66 1wvz s ILE 59 Ca -0.09 0.14 0.00 0.00 -1.10 0.00 0.00 60.65 59.59 1wvz s ILE 59 Cb -0.02 -3.72 0.00 0.00 -1.06 0.00 0.00 42.46 37.66 1wvz s ILE 59 CO 0.03 -0.70 0.00 0.61 -0.10 0.00 0.00 174.94 174.78 1wvz n GLY 60 N 5.82 1.41 0.00 6.18 0.00 -1.26 -4.16 105.19 113.18 1wvz n GLY 60 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.27 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 1.84 2.95 -0.02 0.00 -1.00 -5.00 105.19 101.95 1wvz n GLY 61 Ca 0.00 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.08 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 -1.46 -0.09 -0.08 1.61 -0.85 -1.26 -4.06 117.35 111.16 1wvz s TYR 62 Ca 0.00 0.23 -0.03 0.00 -0.52 0.00 0.00 57.07 56.75 1wvz s TYR 62 Cb 0.00 0.01 0.05 0.00 0.38 0.00 0.00 41.96 42.40 1wvz s TYR 62 CO 0.00 -0.05 0.15 0.15 -1.52 0.00 0.00 175.55 174.28 1wvz s LYS 63 N 0.17 0.04 -0.00 -3.49 1.02 -0.88 -5.08 119.74 111.51 1wvz s LYS 63 Ca -0.01 0.53 0.01 0.00 0.02 0.00 0.00 55.97 56.52 1wvz s LYS 63 Cb -0.02 -0.27 0.00 0.00 -0.52 0.00 0.00 37.83 37.02 1wvz s LYS 63 CO -0.00 -0.29 -0.02 0.14 -0.92 0.00 0.00 175.35 174.25 1wvz s VAL 64 N 2.15 0.21 -0.20 3.17 -7.23 -1.26 -0.22 120.40 117.03 1wvz s VAL 64 Ca 0.02 -0.10 -0.29 0.00 -1.81 0.00 0.00 61.98 59.80 1wvz s VAL 64 Cb -0.12 -0.20 0.00 0.00 0.56 0.00 0.00 36.38 36.62 1wvz s VAL 64 CO -0.06 0.07 1.11 -0.60 -0.31 0.00 0.00 175.10 175.31 1wvz s ARG 65 N 0.04 4.26 -1.16 4.82 3.00 -0.98 -4.92 118.95 124.02 1wvz s ARG 65 Ca -0.00 1.46 -0.07 0.00 -1.00 0.00 0.00 55.73 56.11 1wvz s ARG 65 Cb -0.02 -3.67 -0.06 0.00 0.00 0.00 0.00 34.95 31.19 1wvz s ARG 65 CO -0.00 -0.63 2.40 0.09 0.00 0.00 0.00 175.30 177.15 1wvz n ASN 66 N 6.29 6.20 -0.77 -2.12 3.02 -1.26 -3.41 115.26 123.21 1wvz n ASN 66 Ca 0.12 -2.41 -0.04 0.00 -0.03 0.00 0.00 54.58 52.22 1wvz n ASN 66 Cb 0.46 -1.26 -0.04 0.00 -0.61 0.00 0.00 39.78 38.34 1wvz n ASN 66 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1wvz n GLN 67 N 4.05 0.00 -3.94 3.52 1.13 -1.26 -5.03 117.38 115.84 1wvz n GLN 67 Ca 0.56 -0.56 -0.41 0.00 -1.94 0.00 0.00 57.00 54.65 1wvz n GLN 67 Cb 0.17 0.25 0.03 0.00 0.11 0.00 0.00 30.24 30.80 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 0.01 -1.57 0.00 1.08 1.44 -1.22 -4.89 115.22 110.06 1wvz n HIS 68 Ca -0.14 0.20 0.00 0.00 -2.01 0.00 0.00 57.72 55.77 1wvz n HIS 68 Cb 0.62 -3.02 0.00 0.00 0.12 0.00 0.00 29.99 27.71 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 -4.75 0.00 -4.44 -1.40 8.01 -1.26 -3.60 117.44 110.00 1wvz n TRP 69 Ca -0.10 0.00 -0.23 0.00 -1.31 0.00 0.00 57.50 55.86 1wvz n TRP 69 Cb 0.57 0.05 -0.10 0.00 -2.01 0.00 0.00 31.31 29.82 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 -0.03 3.30 -0.08 -0.99 1.04 -1.26 -1.46 113.70 114.21 1wvz s SER 70 Ca 0.00 -1.06 -0.03 0.00 0.48 0.00 0.00 55.95 55.34 1wvz s SER 70 Cb 0.00 -0.26 0.04 0.00 0.10 0.00 0.00 66.02 65.91 1wvz s SER 70 CO 0.00 -0.06 0.15 -1.48 0.98 0.00 0.00 173.24 172.83 1wvz s LEU 71 N -3.47 0.08 -0.20 2.42 2.34 0.19 -2.32 118.68 117.73 1wvz s LEU 71 Ca 0.28 0.31 -0.04 0.00 0.06 0.00 0.00 54.13 54.74 1wvz s LEU 71 Cb -0.03 0.26 -0.02 0.00 -0.56 0.00 0.00 46.19 45.84 1wvz s LEU 71 CO 0.13 -0.23 -0.02 -0.51 -1.06 0.00 0.00 176.35 174.66 1wvz s ILE 72 N 2.09 3.72 -0.05 1.48 2.07 0.70 -1.01 121.20 130.20 1wvz s ILE 72 Ca 0.01 -0.39 0.05 0.00 -1.41 0.00 0.00 60.65 58.91 1wvz s ILE 72 Cb -0.12 -2.68 -0.01 0.00 0.13 0.00 0.00 42.46 39.79 1wvz s ILE 72 CO -0.06 0.44 -0.19 0.00 -1.91 0.00 0.00 174.94 173.22 1wvz s MET 73 N 1.05 2.00 -0.32 3.50 0.23 -0.49 -2.07 119.30 123.19 1wvz s MET 73 Ca 0.01 -0.69 -0.27 0.00 -1.03 0.00 0.00 55.69 53.71 1wvz s MET 73 Cb -0.14 -1.72 0.01 0.00 -1.53 0.00 0.00 34.83 31.45 1wvz s MET 73 CO 0.01 0.28 1.00 -2.00 -2.03 0.00 0.00 175.02 172.28 1wvz s GLU 74 N -0.02 4.02 -0.34 3.16 2.12 -1.26 0.86 118.70 127.24 1wvz s GLU 74 Ca -0.04 0.92 0.00 0.00 0.36 0.00 0.00 54.97 56.21 1wvz s GLU 74 Cb -0.12 -3.74 0.11 0.00 0.26 0.00 0.00 34.13 30.64 1wvz s GLU 74 CO 0.03 -0.86 0.13 -1.12 -0.54 0.00 0.00 175.26 172.90 1wvz s SER 75 N 1.66 3.92 -0.18 -1.70 0.01 -1.22 -3.78 113.70 112.40 1wvz s SER 75 Ca 0.42 -1.91 -0.22 0.00 1.31 0.00 0.00 55.95 55.56 1wvz s SER 75 Cb -0.13 -0.90 -0.22 0.00 0.21 0.00 0.00 66.02 64.99 1wvz s SER 75 CO 0.15 -0.38 0.36 0.58 0.41 0.00 0.00 173.24 174.36 1wvz h VAL 76 N 6.14 1.07 0.03 3.43 2.07 -1.87 -3.32 116.25 123.81 1wvz h VAL 76 Ca -0.09 -2.24 -0.29 0.00 0.82 0.00 0.00 66.70 64.90 1wvz h VAL 76 Cb 0.99 2.50 -0.03 0.00 -1.52 0.00 0.00 31.29 33.23 1wvz h VAL 76 CO 0.47 0.43 -1.56 0.52 0.02 0.00 0.00 177.57 177.44 1wvz n VAL 77 N -4.37 1.60 0.24 2.57 0.31 -1.26 -3.30 118.33 114.12 1wvz n VAL 77 Ca -0.27 -0.22 0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1wvz n VAL 77 Cb 0.69 -1.94 0.79 0.00 -0.91 0.00 0.00 33.84 32.47 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 -0.70 0.00 -0.26 5.55 0.11 -1.95 -2.59 132.00 132.15 1wvz h PRO 78 Ca -0.40 0.00 0.08 0.00 0.11 0.00 0.00 66.00 65.79 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 -0.15 0.00 0.44 1.03 -0.21 0.00 0.00 178.00 179.11 1wvz h SER 79 N 0.00 0.00 -0.62 -2.05 0.87 -1.72 0.18 113.55 110.21 1wvz h SER 79 Ca 0.00 0.00 0.18 0.00 -1.23 0.00 0.00 61.79 60.74 1wvz h SER 79 Cb 0.04 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 1wvz h SER 79 CO 0.00 0.00 0.44 -2.24 -0.53 0.00 0.00 176.83 174.50 1wvz h ASP 80 N 0.00 0.01 -3.45 6.23 3.04 -1.75 -3.33 116.42 117.18 1wvz h ASP 80 Ca 0.12 0.00 -0.69 0.00 -3.24 0.00 0.00 57.03 53.22 1wvz h ASP 80 Cb 1.00 -0.00 -0.19 0.00 -1.04 0.00 0.00 39.33 39.10 1wvz h ASP 80 CO -0.00 0.01 -0.14 -1.59 -2.04 0.00 0.00 179.24 175.47 1wvz s LYS 81 N -5.02 3.10 -0.88 4.15 -2.85 0.63 -4.79 119.74 114.08 1wvz s LYS 81 Ca -0.05 -0.84 -0.02 0.00 -1.00 0.00 0.00 55.97 54.06 1wvz s LYS 81 Cb 0.20 -4.02 0.34 0.00 -2.06 0.00 0.00 37.83 32.30 1wvz s LYS 81 CO 0.74 -0.97 1.98 0.41 0.10 0.00 0.00 175.35 177.61 1wvz n GLY 82 N 5.13 5.65 2.92 0.59 0.00 -1.25 -4.88 105.19 113.35 1wvz n GLY 82 Ca -0.07 -2.50 -0.30 0.00 0.00 0.00 0.00 46.02 43.15 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 -1.15 3.53 -0.03 1.61 -0.87 -1.26 -1.39 114.94 115.37 1wvz s ASN 83 Ca 0.49 -1.02 0.04 0.00 -1.57 0.00 0.00 52.86 50.80 1wvz s ASN 83 Cb 0.39 -1.08 -0.00 0.00 -0.02 0.00 0.00 41.25 40.53 1wvz s ASN 83 CO -0.36 -0.22 -0.15 -0.47 -2.57 0.00 0.00 177.10 173.32 1wvz s TYR 84 N 1.48 1.49 -0.12 2.20 5.04 -1.06 0.69 117.35 127.07 1wvz s TYR 84 Ca -0.04 -0.39 0.01 0.00 -2.44 0.00 0.00 57.07 54.22 1wvz s TYR 84 Cb -0.18 -1.00 0.02 0.00 0.35 0.00 0.00 41.96 41.15 1wvz s TYR 84 CO -0.07 -0.12 -0.14 0.99 -1.34 0.00 0.00 175.55 174.88 1wvz s THR 85 N -0.03 1.43 -0.43 4.34 2.01 0.46 0.26 115.64 123.68 1wvz s THR 85 Ca -0.01 -0.58 -0.15 0.00 0.31 0.00 0.00 61.69 61.25 1wvz s THR 85 Cb -0.10 -1.34 0.04 0.00 0.01 0.00 0.00 72.50 71.12 1wvz s THR 85 CO 0.01 0.43 0.35 0.00 -0.69 0.00 0.00 174.62 174.72 1wvz s VAL 87 N 1.73 3.69 -0.38 0.00 0.11 -1.09 0.09 120.40 124.55 1wvz s VAL 87 Ca 0.05 -1.61 -0.16 0.00 -2.93 0.00 0.00 61.98 57.33 1wvz s VAL 87 Cb -0.21 -3.32 0.00 0.00 -1.53 0.00 0.00 36.38 31.33 1wvz s VAL 87 CO 0.09 -0.49 0.40 0.54 -3.33 0.00 0.00 175.10 172.30 1wvz s VAL 88 N 1.30 5.13 0.13 2.04 0.11 -0.75 0.30 120.40 128.67 1wvz s VAL 88 Ca 0.03 -0.15 0.03 0.00 -2.93 0.00 0.00 61.98 58.96 1wvz s VAL 88 Cb -0.22 -3.93 -0.04 0.00 -1.53 0.00 0.00 36.38 30.66 1wvz s VAL 88 CO -0.01 -0.25 0.21 -0.70 -3.33 0.00 0.00 175.10 171.02 1wvz s GLU 89 N 2.07 3.23 0.29 1.54 2.12 0.51 -1.65 118.70 126.80 1wvz s GLU 89 Ca 0.12 -0.66 0.03 0.00 0.36 0.00 0.00 54.97 54.82 1wvz s GLU 89 Cb -0.17 -2.86 -0.03 0.00 0.26 0.00 0.00 34.13 31.33 1wvz s GLU 89 CO 0.12 0.53 0.26 0.54 -0.54 0.00 0.00 175.26 176.17 1wvz s ASN 90 N -3.00 1.07 0.37 -1.70 2.20 0.28 -2.18 114.94 111.98 1wvz s ASN 90 Ca 0.33 -1.59 0.27 0.00 -0.94 0.00 0.00 52.86 50.93 1wvz s ASN 90 Cb -0.11 0.51 1.16 0.00 -2.00 0.00 0.00 41.25 40.82 1wvz s ASN 90 CO 0.26 -1.02 1.81 -0.08 -2.94 0.00 0.00 177.10 175.14 1wvz h GLU 91 N 2.29 0.00 -0.27 3.55 4.57 -1.89 -2.76 114.58 120.06 1wvz h GLU 91 Ca -0.29 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.89 1wvz h GLU 91 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 1wvz h GLU 91 CO 0.42 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 178.91 1wvz n TYR 92 N -2.53 0.35 0.00 0.92 4.02 -1.26 -5.07 117.16 113.59 1wvz n TYR 92 Ca 0.01 -0.36 0.00 0.00 -0.01 0.00 0.00 57.90 57.55 1wvz n TYR 92 Cb 0.23 -0.02 0.00 0.00 -0.02 0.00 0.00 39.34 39.54 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1wvz n GLY 93 N 0.61 1.92 3.09 2.72 0.00 -1.04 -5.07 105.19 107.42 1wvz n GLY 93 Ca 0.11 -1.28 -0.23 0.00 0.00 0.00 0.00 46.02 44.63 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 1.66 0.17 1.61 0.01 -1.26 0.10 113.70 115.98 1wvz s SER 94 Ca 0.00 -0.26 0.09 0.00 1.31 0.00 0.00 55.95 57.09 1wvz s SER 94 Cb 0.00 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.88 1wvz s SER 94 CO 0.00 0.14 -0.20 -0.63 0.41 0.00 0.00 173.24 172.96 1wvz s ILE 95 N -0.12 1.94 -0.02 1.44 1.01 -0.66 -4.98 121.20 119.80 1wvz s ILE 95 Ca 0.01 -1.91 0.05 0.00 0.00 0.00 0.00 60.65 58.81 1wvz s ILE 95 Cb -0.07 -1.88 -0.01 0.00 0.01 0.00 0.00 42.46 40.50 1wvz s ILE 95 CO 0.00 -0.24 -0.18 0.20 0.00 0.00 0.00 174.94 174.72 1wvz s ASN 96 N -2.59 2.19 -0.03 3.58 0.01 -1.26 -1.80 114.94 115.04 1wvz s ASN 96 Ca 0.16 -0.35 0.01 0.00 -0.71 0.00 0.00 52.86 51.98 1wvz s ASN 96 Cb -0.07 -0.37 0.02 0.00 0.41 0.00 0.00 41.25 41.24 1wvz s ASN 96 CO 0.07 0.21 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.83 1wvz s HIS 97 N -0.28 0.63 -0.14 2.20 3.76 0.11 -4.96 115.29 116.61 1wvz s HIS 97 Ca 0.03 -0.15 -0.01 0.00 -0.15 0.00 0.00 55.06 54.79 1wvz s HIS 97 Cb -0.09 -0.55 -0.02 0.00 1.11 0.00 0.00 32.58 33.03 1wvz s HIS 97 CO 0.00 -0.14 -0.10 0.99 -0.85 0.00 0.00 174.74 174.64 1wvz s THR 98 N 0.72 3.31 -0.10 1.30 2.01 -1.26 0.16 115.64 121.78 1wvz s THR 98 Ca -0.09 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 61.37 1wvz s THR 98 Cb -0.12 -2.41 -0.01 0.00 0.01 0.00 0.00 72.50 69.97 1wvz s THR 98 CO -0.00 0.51 -0.19 -0.31 -0.69 0.00 0.00 174.62 173.94 1wvz s TYR 99 N 0.36 2.64 -0.58 4.92 2.02 0.14 -4.81 117.35 122.04 1wvz s TYR 99 Ca -0.09 -0.77 -0.17 0.00 -0.37 0.00 0.00 57.07 55.68 1wvz s TYR 99 Cb -0.15 -1.73 0.13 0.00 -0.40 0.00 0.00 41.96 39.81 1wvz s TYR 99 CO 0.05 -0.26 0.59 -1.01 -1.57 0.00 0.00 175.55 173.35 1wvz s HIS 100 N 0.16 3.21 0.19 2.71 3.76 -0.90 -2.57 115.29 121.86 1wvz s HIS 100 Ca -0.11 -1.25 -0.06 0.00 -0.15 0.00 0.00 55.06 53.49 1wvz s HIS 100 Cb -0.16 -3.87 -0.06 0.00 1.11 0.00 0.00 32.58 29.60 1wvz s HIS 100 CO 0.06 -1.11 0.46 -0.51 -0.85 0.00 0.00 174.74 172.80 1wvz s LEU 101 N 1.83 4.20 -0.15 0.89 1.43 -0.49 -2.56 118.68 123.83 1wvz s LEU 101 Ca 0.07 0.72 0.02 0.00 -1.03 0.00 0.00 54.13 53.91 1wvz s LEU 101 Cb -0.26 -3.47 0.01 0.00 0.03 0.00 0.00 46.19 42.49 1wvz s LEU 101 CO 0.03 -0.03 -0.20 -0.62 0.23 0.00 0.00 176.35 175.76 1wvz s ASP 102 N -2.52 3.23 -0.14 2.29 2.15 -0.94 -4.43 116.67 116.31 1wvz s ASP 102 Ca 0.44 -0.58 -0.29 0.00 0.43 0.00 0.00 52.55 52.54 1wvz s ASP 102 Cb -0.12 -1.48 -0.01 0.00 -0.30 0.00 0.00 42.92 41.02 1wvz s ASP 102 CO 0.24 0.07 1.16 -0.69 -0.17 0.00 0.00 175.17 175.78 1wvz s VAL 103 N 0.89 4.44 0.00 1.11 1.01 -1.26 -2.17 120.40 124.42 1wvz s VAL 103 Ca -0.05 1.74 0.00 0.00 0.00 0.00 0.00 61.98 63.67 1wvz s VAL 103 Cb -0.15 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.11 1wvz s VAL 103 CO -0.03 -0.09 0.21 0.52 0.00 0.00 0.00 175.10 175.71