#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 0.94 -4.67 6.41 3.02 -1.26 -4.93 115.26 114.77 1wvz n ASN 5 Ca 0.00 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.13 1wvz n ASN 5 Cb 0.00 0.00 -0.03 0.00 -0.61 0.00 0.00 39.78 39.14 1wvz n ASN 5 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1wvz s LYS 6 N 1.58 4.31 -0.11 3.52 3.01 -1.26 -4.31 119.74 126.48 1wvz s LYS 6 Ca 0.00 1.27 -0.04 0.00 -1.01 0.00 0.00 55.97 56.19 1wvz s LYS 6 Cb 0.00 -3.60 0.05 0.00 -1.01 0.00 0.00 37.83 33.28 1wvz s LYS 6 CO 0.00 -0.47 0.21 1.03 0.51 0.00 0.00 175.35 176.63 1wvz s ARG 7 N 2.62 0.10 -0.30 1.68 3.00 -1.26 -4.57 118.95 120.23 1wvz s ARG 7 Ca 0.44 0.64 -0.27 0.00 0.00 0.00 0.00 55.73 56.53 1wvz s ARG 7 Cb -0.16 -0.14 -0.12 0.00 0.00 0.00 0.00 34.95 34.53 1wvz s ARG 7 CO 0.11 -0.28 1.10 0.00 0.00 0.00 0.00 175.30 176.23 1wvz n ALA 8 N 5.17 -0.36 -2.12 2.13 0.00 -1.26 -2.68 120.51 121.39 1wvz n ALA 8 Ca -0.08 0.21 -0.42 0.00 0.00 0.00 0.00 53.44 53.14 1wvz n ALA 8 Cb 0.50 -1.18 -0.03 0.00 0.00 0.00 0.00 19.45 18.74 1wvz n ALA 8 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 1wvz s PRO 9 N 2.63 4.28 0.10 0.00 0.02 -1.26 -4.58 135.00 136.19 1wvz s PRO 9 Ca 0.66 2.11 -0.26 0.00 0.02 0.00 0.00 61.00 63.53 1wvz s PRO 9 Cb -0.89 -3.37 -0.06 0.00 0.02 0.00 0.00 34.50 30.19 1wvz s PRO 9 CO 0.44 -0.53 0.82 0.71 -0.33 0.00 0.00 177.00 178.11 1wvz s TYR 10 N 1.67 3.82 0.17 6.54 1.51 0.41 -4.80 117.35 126.67 1wvz s TYR 10 Ca 0.66 1.61 -0.31 0.00 -1.01 0.00 0.00 57.07 58.02 1wvz s TYR 10 Cb -0.37 -2.86 -0.11 0.00 -0.11 0.00 0.00 41.96 38.51 1wvz s TYR 10 CO 0.30 0.34 1.79 1.67 -1.11 0.00 0.00 175.55 178.53 1wvz s TRP 11 N -0.42 2.50 0.00 2.71 -2.14 -1.26 0.71 118.94 121.04 1wvz s TRP 11 Ca 0.40 0.14 0.00 0.00 2.66 0.00 0.00 56.10 59.29 1wvz s TRP 11 Cb -0.22 -4.17 0.00 0.00 -3.10 0.00 0.00 33.47 25.98 1wvz s TRP 11 CO 0.26 -4.65 0.00 2.41 -2.66 0.00 0.00 176.95 172.31 1wvz n THR 12 N 4.38 0.00 -3.96 0.66 -1.04 -1.06 -4.77 114.28 108.48 1wvz n THR 12 Ca 0.17 0.44 -0.36 0.00 -2.04 0.00 0.00 64.05 62.26 1wvz n THR 12 Cb 0.37 -1.42 -0.07 0.00 -1.82 0.00 0.00 70.33 67.38 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 -3.52 6.09 0.13 8.00 0.01 -1.26 -5.06 114.94 119.33 1wvz s ASN 13 Ca 0.00 0.35 -0.31 0.00 -0.71 0.00 0.00 52.86 52.18 1wvz s ASN 13 Cb 0.00 -1.95 -0.09 0.00 0.41 0.00 0.00 41.25 39.62 1wvz s ASN 13 CO 0.00 0.35 1.50 -0.89 -1.51 0.00 0.00 177.10 176.56 1wvz s THR 14 N -0.71 2.95 -0.45 1.60 2.01 -1.26 -4.76 115.64 115.02 1wvz s THR 14 Ca 0.13 0.65 0.24 0.00 0.31 0.00 0.00 61.69 63.02 1wvz s THR 14 Cb -0.12 -3.42 0.33 0.00 0.01 0.00 0.00 72.50 69.31 1wvz s THR 14 CO 0.03 0.04 1.66 -0.33 -0.69 0.00 0.00 174.62 175.33 1wvz h GLU 15 N 6.95 0.00 0.00 4.92 4.39 -1.95 -2.92 114.58 125.98 1wvz h GLU 15 Ca -0.42 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.28 1wvz h GLU 15 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 1wvz h GLU 15 CO 0.90 0.00 0.00 -0.22 -1.16 0.00 0.00 179.01 178.53 1wvz h LYS 16 N 0.00 0.00 -0.33 2.33 3.11 -1.91 0.50 116.57 120.27 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 1wvz h LYS 16 Cb 0.92 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 32.15 1wvz h LYS 16 CO 0.00 0.00 0.00 -1.33 -2.81 0.00 0.00 179.45 175.31 1wvz n MET 17 N -2.73 2.88 -2.61 1.90 2.81 -1.11 -4.63 117.12 113.64 1wvz n MET 17 Ca 0.02 -2.11 -0.03 0.00 -1.81 0.00 0.00 57.70 53.77 1wvz n MET 17 Cb 0.34 -1.32 -0.02 0.00 -0.71 0.00 0.00 33.22 31.50 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 0.39 0.10 0.00 0.03 4.07 -1.09 -5.02 120.64 119.12 1wvz n GLU 18 Ca 0.12 -0.59 0.00 0.00 -0.06 0.00 0.00 57.16 56.63 1wvz n GLU 18 Cb 0.47 -0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.84 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 -0.49 0.00 0.00 5.31 3.00 0.04 -4.84 118.16 121.18 1wvz n LYS 19 Ca -0.28 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.03 1wvz n LYS 19 Cb 0.63 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.66 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 -1.17 0.00 -2.21 1.64 3.00 0.15 -4.28 116.66 113.80 1wvz n ARG 20 Ca 0.00 0.00 -0.35 0.00 -0.00 0.00 0.00 57.85 57.50 1wvz n ARG 20 Cb 0.00 -0.21 -0.04 0.00 0.00 0.00 0.00 32.46 32.22 1wvz n ARG 20 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1wvz s LEU 21 N 0.00 3.26 0.21 6.15 2.96 -1.09 -1.77 118.68 128.40 1wvz s LEU 21 Ca 0.00 -0.40 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 1wvz s LEU 21 Cb 0.00 -2.55 -0.05 0.00 0.50 0.00 0.00 46.19 44.09 1wvz s LEU 21 CO 0.00 -2.28 0.07 -1.00 -1.32 0.00 0.00 176.35 171.82 1wvz s HIS 22 N 8.23 1.31 -0.25 5.38 3.76 -1.08 -4.93 115.29 127.72 1wvz s HIS 22 Ca 0.60 -1.17 -0.08 0.00 -0.15 0.00 0.00 55.06 54.25 1wvz s HIS 22 Cb -0.08 -0.74 -0.03 0.00 1.11 0.00 0.00 32.58 32.84 1wvz s HIS 22 CO 0.08 -0.37 0.10 0.00 -0.85 0.00 0.00 174.74 173.70 1wvz s ALA 23 N -3.83 3.26 -0.15 -1.40 0.00 -1.26 -2.50 121.76 115.88 1wvz s ALA 23 Ca 0.33 -1.09 0.01 0.00 0.00 0.00 0.00 51.96 51.20 1wvz s ALA 23 Cb 0.07 -2.16 0.00 0.00 0.00 0.00 0.00 23.12 21.04 1wvz s ALA 23 CO 0.09 -0.45 -0.18 0.08 0.00 0.00 0.00 175.76 175.30 1wvz s VAL 24 N 1.55 2.41 0.29 0.00 1.01 -1.03 -4.97 120.40 119.65 1wvz s VAL 24 Ca 0.06 -0.86 -0.25 0.00 0.00 0.00 0.00 61.98 60.93 1wvz s VAL 24 Cb -0.15 -2.00 -0.09 0.00 0.00 0.00 0.00 36.38 34.14 1wvz s VAL 24 CO 0.05 0.53 0.90 -2.16 0.00 0.00 0.00 175.10 174.41 1wvz s PRO 25 N 0.88 4.56 0.45 2.72 0.04 -1.26 -2.32 135.00 140.07 1wvz s PRO 25 Ca -0.05 1.26 -0.22 0.00 0.04 0.00 0.00 61.00 62.03 1wvz s PRO 25 Cb -0.15 -2.90 -0.09 0.00 0.04 0.00 0.00 34.50 31.41 1wvz s PRO 25 CO -0.02 0.34 1.06 0.00 0.04 0.00 0.00 177.00 178.42 1wvz s ALA 26 N -1.52 2.97 0.00 8.56 0.00 -0.83 -3.25 121.76 127.69 1wvz s ALA 26 Ca 0.47 0.68 0.00 0.00 0.00 0.00 0.00 51.96 53.11 1wvz s ALA 26 Cb -0.19 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.65 1wvz s ALA 26 CO 0.24 -0.31 0.00 0.00 0.00 0.00 0.00 175.76 175.69 1wvz n ALA 27 N -0.55 0.00 -2.47 0.00 0.00 -1.11 -5.00 120.51 111.38 1wvz n ALA 27 Ca 0.07 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.27 1wvz n ALA 27 Cb 0.51 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 1wvz n ALA 27 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1wvz s ASN 28 N -2.02 4.52 0.27 0.00 2.47 -1.20 -4.74 114.94 114.24 1wvz s ASN 28 Ca 0.00 -0.93 -0.28 0.00 0.42 0.00 0.00 52.86 52.07 1wvz s ASN 28 Cb 0.00 -0.58 -0.09 0.00 -1.45 0.00 0.00 41.25 39.12 1wvz s ASN 28 CO 0.00 -0.41 0.93 0.42 -3.72 0.00 0.00 177.10 174.31 1wvz s THR 29 N -2.52 4.16 -0.25 -5.21 -4.23 -1.26 -3.74 115.64 102.59 1wvz s THR 29 Ca 0.39 1.94 -0.13 0.00 -1.18 0.00 0.00 61.69 62.71 1wvz s THR 29 Cb 0.01 -4.17 -0.04 0.00 1.34 0.00 0.00 72.50 69.63 1wvz s THR 29 CO 0.22 0.34 0.30 -0.69 -0.54 0.00 0.00 174.62 174.25 1wvz s VAL 30 N -1.37 5.25 -0.19 2.29 1.01 0.42 -4.91 120.40 122.89 1wvz s VAL 30 Ca 0.45 0.45 -0.26 0.00 0.00 0.00 0.00 61.98 62.61 1wvz s VAL 30 Cb -0.22 -3.63 -0.01 0.00 0.00 0.00 0.00 36.38 32.52 1wvz s VAL 30 CO 0.28 0.24 0.89 -0.75 0.00 0.00 0.00 175.10 175.76 1wvz s LYS 31 N 1.61 4.27 -0.23 2.72 2.20 -1.26 -1.39 119.74 127.66 1wvz s LYS 31 Ca 0.13 1.10 -0.04 0.00 -0.36 0.00 0.00 55.97 56.81 1wvz s LYS 31 Cb -0.15 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.57 1wvz s LYS 31 CO 0.08 -0.44 -0.04 0.12 -0.36 0.00 0.00 175.35 174.72 1wvz s PHE 32 N 2.53 2.99 -0.13 4.03 2.19 0.21 -5.00 117.98 124.80 1wvz s PHE 32 Ca 0.39 -1.08 -0.01 0.00 0.33 0.00 0.00 56.93 56.57 1wvz s PHE 32 Cb -0.16 -2.11 -0.02 0.00 -1.31 0.00 0.00 43.02 39.42 1wvz s PHE 32 CO 0.10 -0.59 -0.11 1.03 1.83 0.00 0.00 175.22 177.48 1wvz s ARG 33 N 1.45 3.36 -0.45 10.12 1.81 -1.26 0.51 118.95 134.48 1wvz s ARG 33 Ca 0.04 -0.64 0.07 0.00 -1.72 0.00 0.00 55.73 53.49 1wvz s ARG 33 Cb -0.15 -2.68 0.28 0.00 -0.45 0.00 0.00 34.95 31.95 1wvz s ARG 33 CO -0.03 0.28 0.86 0.00 -0.68 0.00 0.00 175.30 175.73 1wvz s PRO 35 N -0.13 4.39 -0.28 0.00 0.04 -1.21 -4.49 135.00 133.32 1wvz s PRO 35 Ca 0.31 1.71 -0.00 0.00 0.04 0.00 0.00 61.00 63.05 1wvz s PRO 35 Cb 0.25 -3.47 0.14 0.00 0.04 0.00 0.00 34.50 31.45 1wvz s PRO 35 CO -0.15 -0.36 0.31 0.00 0.04 0.00 0.00 177.00 176.84 1wvz s ALA 36 N 1.72 -0.60 0.03 8.56 0.00 -1.25 -2.57 121.76 127.64 1wvz s ALA 36 Ca 0.57 -0.13 -0.30 0.00 0.00 0.00 0.00 51.96 52.09 1wvz s ALA 36 Cb -0.27 -1.81 -0.05 0.00 0.00 0.00 0.00 23.12 21.00 1wvz s ALA 36 CO 0.25 -1.66 1.24 0.20 0.00 0.00 0.00 175.76 175.78 1wvz s GLY 37 N 2.40 2.23 0.00 0.00 0.00 0.22 -4.44 107.32 107.73 1wvz s GLY 37 Ca 0.09 0.81 0.00 0.00 0.00 0.00 0.00 44.72 45.62 1wvz s GLY 37 CO -0.30 2.16 0.00 0.61 0.00 0.00 0.00 173.10 175.57 1wvz n GLY 38 N 3.33 -0.47 3.67 0.20 0.00 -1.26 0.16 105.19 110.81 1wvz n GLY 38 Ca 0.10 0.30 -0.29 0.00 0.00 0.00 0.00 46.02 46.13 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 2.74 0.00 1.61 6.03 -1.09 -4.96 114.94 115.27 1wvz s ASN 39 Ca 0.00 1.33 0.27 0.00 -1.03 0.00 0.00 52.86 53.43 1wvz s ASN 39 Cb 0.00 -2.01 0.86 0.00 -3.03 0.00 0.00 41.25 37.07 1wvz s ASN 39 CO 0.00 -3.08 1.63 -0.81 -2.03 0.00 0.00 177.10 172.81 1wvz n PRO 40 N -4.16 1.45 -3.62 3.55 -0.04 -1.26 -4.51 135.00 126.41 1wvz n PRO 40 Ca 0.06 -0.90 -0.27 0.00 -0.04 0.00 0.00 63.50 62.35 1wvz n PRO 40 Cb 0.56 -1.48 -0.10 0.00 -0.04 0.00 0.00 33.50 32.44 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 0.01 2.04 -3.46 0.54 0.00 -1.26 -5.08 117.12 109.91 1wvz n MET 41 Ca 0.16 -4.47 -0.38 0.00 0.00 0.00 0.00 57.70 53.02 1wvz n MET 41 Cb 0.38 -2.20 -0.08 0.00 0.00 0.00 0.00 33.22 31.32 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 -1.87 4.13 -0.36 2.12 0.04 -1.26 -4.68 135.00 133.12 1wvz s PRO 42 Ca 0.33 0.06 -0.08 0.00 0.04 0.00 0.00 61.00 61.34 1wvz s PRO 42 Cb 0.06 -3.55 0.04 0.00 0.04 0.00 0.00 34.50 31.09 1wvz s PRO 42 CO -0.09 -0.03 0.15 0.99 0.04 0.00 0.00 177.00 178.06 1wvz s THR 43 N 1.30 4.12 0.14 1.26 2.01 -0.75 -5.02 115.64 118.70 1wvz s THR 43 Ca 0.16 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 61.21 1wvz s THR 43 Cb -0.14 -3.33 -0.04 0.00 0.01 0.00 0.00 72.50 68.99 1wvz s THR 43 CO 0.07 -0.22 -0.20 0.00 -0.69 0.00 0.00 174.62 173.58 1wvz s MET 44 N 1.46 1.70 0.05 4.92 0.23 -1.26 0.17 119.30 126.57 1wvz s MET 44 Ca 0.00 -1.29 0.05 0.00 -1.03 0.00 0.00 55.69 53.42 1wvz s MET 44 Cb -0.20 -2.03 -0.04 0.00 -1.53 0.00 0.00 34.83 31.04 1wvz s MET 44 CO 0.04 0.45 -0.10 1.03 -2.03 0.00 0.00 175.02 174.42 1wvz s ARG 45 N -2.34 2.33 -0.22 3.16 1.81 0.27 -4.93 118.95 119.03 1wvz s ARG 45 Ca 0.19 -0.87 -0.02 0.00 -1.72 0.00 0.00 55.73 53.30 1wvz s ARG 45 Cb -0.10 -2.38 0.01 0.00 -0.45 0.00 0.00 34.95 32.03 1wvz s ARG 45 CO 0.10 0.56 -0.07 -1.58 -0.68 0.00 0.00 175.30 173.63 1wvz s TRP 46 N -1.06 2.96 -0.06 -0.53 0.52 -1.26 -2.60 118.94 116.91 1wvz s TRP 46 Ca 0.18 -1.24 -0.01 0.00 0.02 0.00 0.00 56.10 55.05 1wvz s TRP 46 Cb -0.11 -2.06 0.03 0.00 -1.15 0.00 0.00 33.47 30.17 1wvz s TRP 46 CO 0.09 -0.65 -0.00 -0.51 0.02 0.00 0.00 176.95 175.91 1wvz s LEU 47 N 1.40 0.72 -0.13 2.99 1.43 -1.02 -2.62 118.68 121.46 1wvz s LEU 47 Ca 0.04 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.07 1wvz s LEU 47 Cb -0.15 -0.39 0.02 0.00 0.03 0.00 0.00 46.19 45.70 1wvz s LEU 47 CO -0.05 -0.17 -0.12 -1.59 0.23 0.00 0.00 176.35 174.65 1wvz s LYS 48 N 1.73 2.01 -1.47 1.70 -2.85 0.42 0.97 119.74 122.26 1wvz s LYS 48 Ca 0.01 -0.46 -0.14 0.00 -1.00 0.00 0.00 55.97 54.39 1wvz s LYS 48 Cb -0.13 -1.87 0.11 0.00 -2.06 0.00 0.00 37.83 33.88 1wvz s LYS 48 CO -0.04 -0.20 0.66 -1.71 0.10 0.00 0.00 175.35 174.16 1wvz n ASN 49 N 4.68 -3.60 0.00 0.03 5.15 0.21 0.75 115.26 122.48 1wvz n ASN 49 Ca -0.16 -0.68 0.00 0.00 -0.60 0.00 0.00 54.58 53.14 1wvz n ASN 49 Cb 0.50 -2.96 0.00 0.00 -0.53 0.00 0.00 39.78 36.80 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 -1.30 0.43 3.13 8.20 0.00 -1.26 -5.04 105.19 109.35 1wvz n GLY 50 Ca 0.03 -0.92 -0.29 0.00 0.00 0.00 0.00 46.02 44.85 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 -1.67 2.48 0.03 1.61 2.36 0.23 -5.13 119.74 119.64 1wvz s LYS 51 Ca 0.00 -0.68 -0.01 0.00 -2.55 0.00 0.00 55.97 52.73 1wvz s LYS 51 Cb 0.00 -1.93 -0.04 0.00 -1.05 0.00 0.00 37.83 34.81 1wvz s LYS 51 CO 0.00 0.11 0.19 -1.83 1.55 0.00 0.00 175.35 175.37 1wvz s GLU 52 N 0.50 3.41 -0.15 4.03 -1.05 -1.26 0.16 118.70 124.34 1wvz s GLU 52 Ca -0.17 -0.40 0.02 0.00 -0.15 0.00 0.00 54.97 54.27 1wvz s GLU 52 Cb -0.17 -3.05 0.02 0.00 -0.44 0.00 0.00 34.13 30.49 1wvz s GLU 52 CO 0.06 0.63 -0.20 -0.59 0.95 0.00 0.00 175.26 176.12 1wvz s PHE 53 N -1.43 2.63 0.00 4.83 -0.12 -1.08 -4.81 117.98 118.01 1wvz s PHE 53 Ca 0.32 -1.43 0.00 0.00 -0.05 0.00 0.00 56.93 55.77 1wvz s PHE 53 Cb -0.13 -1.82 0.00 0.00 -0.63 0.00 0.00 43.02 40.45 1wvz s PHE 53 CO 0.24 -0.69 0.00 0.36 -0.05 0.00 0.00 175.22 175.08 1wvz n LYS 54 N 4.34 0.00 0.22 1.99 0.00 -1.26 -4.75 118.16 118.70 1wvz n LYS 54 Ca -0.20 0.00 0.16 0.00 -0.00 0.00 0.00 58.31 58.27 1wvz n LYS 54 Cb 0.51 0.00 0.83 0.00 -0.00 0.00 0.00 35.03 36.37 1wvz n LYS 54 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.40 179.36 1wvz h GLN 55 N 0.00 0.00 -2.08 -1.58 7.50 -2.04 0.19 115.11 117.10 1wvz h GLN 55 Ca 0.00 0.00 -0.66 0.00 0.50 0.00 0.00 58.65 58.49 1wvz h GLN 55 Cb 0.00 0.00 -0.22 0.00 0.05 0.00 0.00 27.48 27.31 1wvz h GLN 55 CO 0.00 0.00 0.92 0.39 -1.50 0.00 0.00 178.83 178.64 1wvz n GLU 56 N -3.88 3.05 -0.96 1.46 -0.58 -1.26 -5.02 120.64 113.45 1wvz n GLU 56 Ca 0.01 -3.17 -0.35 0.00 -0.42 0.00 0.00 57.16 53.22 1wvz n GLU 56 Cb 0.26 -2.27 0.06 0.00 -0.57 0.00 0.00 31.44 28.92 1wvz n GLU 56 CO 0.00 0.00 0.00 -2.39 -0.48 0.00 0.00 177.13 174.26 1wvz n HIS 57 N 0.26 -4.44 -2.73 -0.32 1.44 0.05 -4.83 115.22 104.66 1wvz n HIS 57 Ca 0.52 0.02 -0.39 0.00 -2.01 0.00 0.00 57.72 55.86 1wvz n HIS 57 Cb 0.36 -1.51 -0.06 0.00 0.12 0.00 0.00 29.99 28.91 1wvz n HIS 57 CO 0.00 0.00 0.00 1.03 -2.81 0.00 0.00 176.34 174.56 1wvz s ARG 58 N -2.32 4.77 0.47 -1.40 1.81 -1.26 -4.95 118.95 116.08 1wvz s ARG 58 Ca 0.44 1.48 -0.24 0.00 -1.72 0.00 0.00 55.73 55.69 1wvz s ARG 58 Cb -0.19 -3.16 -0.07 0.00 -0.45 0.00 0.00 34.95 31.08 1wvz s ARG 58 CO 0.80 0.43 1.37 0.42 -0.68 0.00 0.00 175.30 177.64 1wvz s ILE 59 N -1.28 2.23 0.00 1.52 1.01 -1.12 -2.63 121.20 120.93 1wvz s ILE 59 Ca 0.44 0.19 0.00 0.00 0.00 0.00 0.00 60.65 61.28 1wvz s ILE 59 Cb -0.25 -3.11 0.00 0.00 0.01 0.00 0.00 42.46 39.11 1wvz s ILE 59 CO 0.31 0.02 0.00 0.61 0.00 0.00 0.00 174.94 175.88 1wvz n GLY 60 N 0.63 2.59 0.00 6.18 0.00 -1.26 -4.17 105.19 109.16 1wvz n GLY 60 Ca 0.07 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 0.00 3.39 3.10 -0.02 0.00 -1.08 -5.00 105.19 105.58 1wvz n GLY 61 Ca 0.00 -1.73 -0.11 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.91 0.67 0.01 1.61 1.13 -1.26 -3.07 117.35 114.52 1wvz s TYR 62 Ca 0.00 -0.75 0.02 0.00 -1.41 0.00 0.00 57.07 54.92 1wvz s TYR 62 Cb 0.00 -0.41 -0.01 0.00 -1.10 0.00 0.00 41.96 40.44 1wvz s TYR 62 CO 0.00 -0.17 -0.06 0.15 -2.51 0.00 0.00 175.55 172.96 1wvz s LYS 63 N -2.79 0.45 -0.00 -3.49 3.01 0.35 -5.02 119.74 112.24 1wvz s LYS 63 Ca 0.00 -0.33 0.01 0.00 -1.01 0.00 0.00 55.97 54.64 1wvz s LYS 63 Cb -0.01 -0.37 -0.00 0.00 -1.01 0.00 0.00 37.83 36.43 1wvz s LYS 63 CO -0.03 0.09 -0.04 0.14 0.51 0.00 0.00 175.35 176.02 1wvz s VAL 64 N -0.45 0.29 0.07 3.17 -7.23 -1.26 0.13 120.40 115.12 1wvz s VAL 64 Ca -0.01 -0.15 -0.30 0.00 -1.81 0.00 0.00 61.98 59.71 1wvz s VAL 64 Cb -0.04 -0.25 -0.05 0.00 0.56 0.00 0.00 36.38 36.60 1wvz s VAL 64 CO -0.00 0.09 0.98 -0.13 -0.31 0.00 0.00 175.10 175.72 1wvz s ARG 65 N -0.03 4.63 -0.97 4.82 1.81 -1.03 -4.94 118.95 123.24 1wvz s ARG 65 Ca 0.01 1.45 -0.08 0.00 -1.72 0.00 0.00 55.73 55.39 1wvz s ARG 65 Cb -0.02 -3.41 -0.14 0.00 -0.45 0.00 0.00 34.95 30.93 1wvz s ARG 65 CO -0.00 0.09 3.17 0.09 -0.68 0.00 0.00 175.30 177.97 1wvz n ASN 66 N 3.25 7.35 -0.80 0.23 3.02 -1.26 -3.60 115.26 123.45 1wvz n ASN 66 Ca 0.04 -2.59 -0.04 0.00 -0.03 0.00 0.00 54.58 51.95 1wvz n ASN 66 Cb 0.50 -1.48 -0.04 0.00 -0.61 0.00 0.00 39.78 38.14 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 2.97 0.00 -3.96 3.52 1.13 -1.26 -5.04 117.38 114.75 1wvz n GLN 67 Ca 0.64 -0.61 -0.41 0.00 -1.94 0.00 0.00 57.00 54.68 1wvz n GLN 67 Cb 0.50 0.31 0.02 0.00 0.11 0.00 0.00 30.24 31.18 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 0.00 -1.58 0.00 1.08 1.44 -1.24 -4.90 115.22 110.03 1wvz n HIS 68 Ca -0.17 0.24 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 1wvz n HIS 68 Cb 0.62 -2.92 0.00 0.00 0.12 0.00 0.00 29.99 27.81 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 -4.58 0.00 -4.28 -1.40 -0.00 -1.26 -3.86 117.44 102.05 1wvz n TRP 69 Ca -0.13 0.00 -0.15 0.00 -0.00 0.00 0.00 57.50 57.22 1wvz n TRP 69 Cb 0.58 0.11 -0.10 0.00 -0.00 0.00 0.00 31.31 31.90 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.54 -0.00 0.00 0.00 177.69 176.15 1wvz s SER 70 N -2.23 1.88 -0.01 5.87 1.04 -1.26 -2.28 113.70 116.70 1wvz s SER 70 Ca 0.00 -1.06 -0.06 0.00 0.48 0.00 0.00 55.95 55.32 1wvz s SER 70 Cb 0.00 -0.02 0.00 0.00 0.10 0.00 0.00 66.02 66.10 1wvz s SER 70 CO 0.00 -0.36 0.11 -1.48 0.98 0.00 0.00 173.24 172.50 1wvz s LEU 71 N -3.21 1.63 -0.11 2.42 2.34 0.18 -2.48 118.68 119.45 1wvz s LEU 71 Ca 0.20 -0.12 0.01 0.00 0.06 0.00 0.00 54.13 54.28 1wvz s LEU 71 Cb 0.03 0.53 0.02 0.00 -0.56 0.00 0.00 46.19 46.21 1wvz s LEU 71 CO 0.03 -0.27 -0.13 -0.51 -1.06 0.00 0.00 176.35 174.41 1wvz s ILE 72 N -0.99 1.36 0.05 1.48 2.07 0.12 0.63 121.20 125.92 1wvz s ILE 72 Ca -0.11 -0.54 0.08 0.00 -1.41 0.00 0.00 60.65 58.67 1wvz s ILE 72 Cb -0.06 -1.28 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 1wvz s ILE 72 CO 0.01 0.42 -0.22 0.00 -1.91 0.00 0.00 174.94 173.24 1wvz s MET 73 N 1.22 1.42 -0.38 3.50 0.23 -0.48 -0.49 119.30 124.31 1wvz s MET 73 Ca -0.02 -1.00 -0.13 0.00 -1.03 0.00 0.00 55.69 53.51 1wvz s MET 73 Cb -0.14 -1.57 0.02 0.00 -1.53 0.00 0.00 34.83 31.61 1wvz s MET 73 CO -0.04 0.40 0.25 -2.00 -2.03 0.00 0.00 175.02 171.59 1wvz s GLU 74 N -1.29 3.00 -0.33 3.16 2.12 -1.17 0.16 118.70 124.35 1wvz s GLU 74 Ca 0.08 -0.98 -0.00 0.00 0.36 0.00 0.00 54.97 54.43 1wvz s GLU 74 Cb -0.09 -3.84 0.11 0.00 0.26 0.00 0.00 34.13 30.57 1wvz s GLU 74 CO 0.02 -0.67 0.13 -1.54 -0.54 0.00 0.00 175.26 172.66 1wvz s SER 75 N 1.63 3.92 0.01 -1.70 1.04 -1.25 -2.80 113.70 114.56 1wvz s SER 75 Ca 0.04 -1.83 -0.17 0.00 0.48 0.00 0.00 55.95 54.47 1wvz s SER 75 Cb -0.19 -0.87 -0.35 0.00 0.10 0.00 0.00 66.02 64.71 1wvz s SER 75 CO 0.09 -0.39 0.97 -0.37 0.98 0.00 0.00 173.24 174.51 1wvz h VAL 76 N 6.21 1.29 0.02 5.02 -1.51 -1.85 -3.23 116.25 122.20 1wvz h VAL 76 Ca -0.11 -2.67 -0.30 0.00 -1.23 0.00 0.00 66.70 62.39 1wvz h VAL 76 Cb 1.00 3.05 -0.04 0.00 -2.13 0.00 0.00 31.29 33.17 1wvz h VAL 76 CO 0.46 0.80 -1.67 0.52 -1.23 0.00 0.00 177.57 176.45 1wvz n VAL 77 N -3.77 1.57 0.28 7.19 0.31 -1.26 -2.75 118.33 119.90 1wvz n VAL 77 Ca -0.17 -0.22 0.19 0.00 -0.01 0.00 0.00 64.34 64.13 1wvz n VAL 77 Cb 1.07 -1.94 0.99 0.00 -0.91 0.00 0.00 33.84 33.06 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 -0.78 0.00 -0.22 5.55 0.11 -1.97 -2.41 132.00 132.27 1wvz h PRO 78 Ca -0.44 0.00 0.06 0.00 0.11 0.00 0.00 66.00 65.74 1wvz h PRO 78 Cb 1.51 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.61 1wvz h PRO 78 CO -0.20 0.00 0.40 1.03 -0.21 0.00 0.00 178.00 179.02 1wvz h SER 79 N 0.00 0.00 -0.79 -2.05 0.87 -1.73 0.13 113.55 109.98 1wvz h SER 79 Ca 0.00 0.00 0.15 0.00 -1.23 0.00 0.00 61.79 60.71 1wvz h SER 79 Cb 0.01 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.92 1wvz h SER 79 CO 0.00 0.00 0.52 -0.78 -0.53 0.00 0.00 176.83 176.04 1wvz h ASP 80 N 0.00 0.46 -3.47 6.23 3.58 -1.72 -3.34 116.42 118.17 1wvz h ASP 80 Ca 0.11 0.03 -0.66 0.00 0.42 0.00 0.00 57.03 56.92 1wvz h ASP 80 Cb 0.90 -0.07 -0.16 0.00 1.72 0.00 0.00 39.33 41.72 1wvz h ASP 80 CO -0.00 0.24 0.09 -1.59 -2.88 0.00 0.00 179.24 175.10 1wvz s LYS 81 N -5.48 3.22 -0.92 0.28 -2.85 0.47 -4.59 119.74 109.86 1wvz s LYS 81 Ca -0.08 -0.55 -0.02 0.00 -1.00 0.00 0.00 55.97 54.31 1wvz s LYS 81 Cb 0.21 -4.00 0.30 0.00 -2.06 0.00 0.00 37.83 32.28 1wvz s LYS 81 CO 0.77 -1.08 2.04 0.41 0.10 0.00 0.00 175.35 177.59 1wvz n GLY 82 N 5.09 5.65 2.96 0.59 0.00 -1.25 -4.86 105.19 113.36 1wvz n GLY 82 Ca -0.03 -2.44 -0.30 0.00 0.00 0.00 0.00 46.02 43.24 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 -0.97 3.65 -0.14 1.61 -0.87 -1.26 0.72 114.94 117.68 1wvz s ASN 83 Ca 0.48 -1.05 0.02 0.00 -1.57 0.00 0.00 52.86 50.74 1wvz s ASN 83 Cb 0.32 -1.19 0.01 0.00 -0.02 0.00 0.00 41.25 40.37 1wvz s ASN 83 CO -0.27 -0.20 -0.21 -0.31 -2.57 0.00 0.00 177.10 173.53 1wvz s TYR 84 N 1.40 2.67 -0.16 2.20 1.51 -0.80 0.68 117.35 124.85 1wvz s TYR 84 Ca -0.04 -1.29 0.02 0.00 -1.01 0.00 0.00 57.07 54.74 1wvz s TYR 84 Cb -0.18 -1.81 0.02 0.00 -0.11 0.00 0.00 41.96 39.87 1wvz s TYR 84 CO -0.07 -0.58 -0.20 0.99 -1.11 0.00 0.00 175.55 174.57 1wvz s THR 85 N 0.78 2.02 -0.39 -0.71 2.01 0.27 0.14 115.64 119.76 1wvz s THR 85 Ca -0.08 -0.93 -0.10 0.00 0.31 0.00 0.00 61.69 60.89 1wvz s THR 85 Cb -0.16 -1.81 0.05 0.00 0.01 0.00 0.00 72.50 70.59 1wvz s THR 85 CO -0.01 0.54 0.22 0.00 -0.69 0.00 0.00 174.62 174.68 1wvz s VAL 87 N 1.48 3.90 -0.37 0.00 1.01 -1.07 -0.01 120.40 125.34 1wvz s VAL 87 Ca 0.02 -1.51 -0.14 0.00 0.00 0.00 0.00 61.98 60.36 1wvz s VAL 87 Cb -0.21 -3.42 0.00 0.00 0.00 0.00 0.00 36.38 32.76 1wvz s VAL 87 CO 0.04 -0.48 0.26 0.54 0.00 0.00 0.00 175.10 175.46 1wvz s VAL 88 N 1.35 5.18 0.06 2.92 0.11 -0.46 0.94 120.40 130.51 1wvz s VAL 88 Ca 0.03 -0.49 0.01 0.00 -2.93 0.00 0.00 61.98 58.60 1wvz s VAL 88 Cb -0.22 -3.78 -0.04 0.00 -1.53 0.00 0.00 36.38 30.80 1wvz s VAL 88 CO 0.01 -0.17 0.14 -0.70 -3.33 0.00 0.00 175.10 171.06 1wvz s GLU 89 N 1.68 3.18 0.33 1.54 -6.30 0.46 -1.02 118.70 118.57 1wvz s GLU 89 Ca 0.05 -0.55 0.04 0.00 -2.50 0.00 0.00 54.97 52.01 1wvz s GLU 89 Cb -0.18 -2.90 -0.02 0.00 0.00 0.00 0.00 34.13 31.03 1wvz s GLU 89 CO 0.10 0.59 0.34 0.54 0.02 0.00 0.00 175.26 176.85 1wvz s ASN 90 N -2.40 1.38 0.54 -1.70 4.22 0.27 -1.81 114.94 115.45 1wvz s ASN 90 Ca 0.32 -1.66 0.35 0.00 -2.14 0.00 0.00 52.86 49.72 1wvz s ASN 90 Cb -0.13 0.59 1.57 0.00 1.28 0.00 0.00 41.25 44.56 1wvz s ASN 90 CO 0.24 -1.13 2.04 -0.08 -2.04 0.00 0.00 177.10 176.13 1wvz h GLU 91 N 2.14 0.00 -0.13 3.55 4.81 -1.88 -2.79 114.58 120.29 1wvz h GLU 91 Ca -0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.97 1wvz h GLU 91 Cb 1.23 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.61 1wvz h GLU 91 CO 0.38 0.00 0.00 0.98 -0.73 0.00 0.00 179.01 179.64 1wvz n TYR 92 N -2.97 0.15 0.00 0.92 4.19 -1.26 -5.05 117.16 113.14 1wvz n TYR 92 Ca -0.00 -0.13 0.00 0.00 3.31 0.00 0.00 57.90 61.07 1wvz n TYR 92 Cb 0.23 -0.01 0.00 0.00 0.49 0.00 0.00 39.34 40.06 1wvz n TYR 92 CO 0.00 0.00 0.00 0.41 0.91 0.00 0.00 176.86 178.18 1wvz n GLY 93 N 0.76 2.00 3.10 2.98 0.00 -1.05 -4.91 105.19 108.06 1wvz n GLY 93 Ca 0.10 -1.29 -0.22 0.00 0.00 0.00 0.00 46.02 44.61 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 0.16 1.61 1.04 -1.26 0.94 113.70 117.79 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 -0.19 -0.04 0.00 0.10 0.00 0.00 66.02 65.89 1wvz s SER 94 CO 0.00 0.16 -0.21 -0.63 0.98 0.00 0.00 173.24 173.54 1wvz s ILE 95 N -0.30 2.01 -0.03 -1.02 1.01 -0.19 -4.97 121.20 117.71 1wvz s ILE 95 Ca 0.05 -1.90 0.06 0.00 0.00 0.00 0.00 60.65 58.86 1wvz s ILE 95 Cb -0.05 -1.91 -0.01 0.00 0.01 0.00 0.00 42.46 40.49 1wvz s ILE 95 CO -0.00 -0.19 -0.21 0.20 0.00 0.00 0.00 174.94 174.73 1wvz s ASN 96 N -2.54 2.55 -0.05 3.58 0.01 -1.26 -1.36 114.94 115.87 1wvz s ASN 96 Ca 0.16 -0.40 0.01 0.00 -0.71 0.00 0.00 52.86 51.92 1wvz s ASN 96 Cb -0.07 -0.43 0.02 0.00 0.41 0.00 0.00 41.25 41.18 1wvz s ASN 96 CO 0.07 0.24 -0.04 -1.00 -1.51 0.00 0.00 177.10 174.87 1wvz s HIS 97 N -0.35 0.74 -0.06 2.20 3.76 0.99 -4.97 115.29 117.60 1wvz s HIS 97 Ca 0.04 -0.21 0.01 0.00 -0.15 0.00 0.00 55.06 54.76 1wvz s HIS 97 Cb -0.10 -0.69 -0.03 0.00 1.11 0.00 0.00 32.58 32.88 1wvz s HIS 97 CO 0.00 -0.21 -0.07 0.99 -0.85 0.00 0.00 174.74 174.60 1wvz s THR 98 N 1.06 3.68 -0.05 1.30 2.01 -1.26 0.15 115.64 122.53 1wvz s THR 98 Ca -0.09 -0.52 0.03 0.00 0.31 0.00 0.00 61.69 61.42 1wvz s THR 98 Cb -0.14 -2.51 0.01 0.00 0.01 0.00 0.00 72.50 69.87 1wvz s THR 98 CO -0.01 0.58 -0.13 -0.31 -0.69 0.00 0.00 174.62 174.06 1wvz s TYR 99 N -0.83 1.41 -0.54 4.92 2.02 0.37 -4.72 117.35 119.98 1wvz s TYR 99 Ca 0.13 -0.47 -0.14 0.00 -0.37 0.00 0.00 57.07 56.22 1wvz s TYR 99 Cb -0.11 -1.01 0.13 0.00 -0.40 0.00 0.00 41.96 40.57 1wvz s TYR 99 CO 0.02 -0.22 0.48 -1.01 -1.57 0.00 0.00 175.55 173.25 1wvz s HIS 100 N 0.45 3.31 0.10 2.71 3.76 -0.73 -1.91 115.29 122.98 1wvz s HIS 100 Ca -0.10 -1.46 0.02 0.00 -0.15 0.00 0.00 55.06 53.37 1wvz s HIS 100 Cb -0.14 -3.74 -0.04 0.00 1.11 0.00 0.00 32.58 29.78 1wvz s HIS 100 CO 0.03 -1.01 0.21 -0.51 -0.85 0.00 0.00 174.74 172.61 1wvz s LEU 101 N 1.46 4.23 -0.10 0.89 1.02 0.22 -2.63 118.68 123.78 1wvz s LEU 101 Ca 0.04 0.17 0.04 0.00 0.02 0.00 0.00 54.13 54.40 1wvz s LEU 101 Cb -0.28 -2.83 -0.00 0.00 0.02 0.00 0.00 46.19 43.09 1wvz s LEU 101 CO 0.02 0.12 -0.24 -1.81 0.02 0.00 0.00 176.35 174.46 1wvz s ASP 102 N -2.78 3.10 -0.12 2.29 1.11 -1.04 -4.15 116.67 115.08 1wvz s ASP 102 Ca 0.34 -0.55 -0.29 0.00 0.18 0.00 0.00 52.55 52.22 1wvz s ASP 102 Cb -0.12 -1.38 -0.01 0.00 1.07 0.00 0.00 42.92 42.47 1wvz s ASP 102 CO 0.27 0.16 0.99 0.54 1.18 0.00 0.00 175.17 178.31 1wvz s VAL 103 N 0.32 4.79 0.00 -1.27 0.11 -1.26 -2.47 120.40 120.61 1wvz s VAL 103 Ca -0.18 2.00 0.00 0.00 -2.93 0.00 0.00 61.98 60.86 1wvz s VAL 103 Cb -0.18 -4.29 0.00 0.00 -1.53 0.00 0.00 36.38 30.38 1wvz s VAL 103 CO 0.09 -0.01 0.23 1.33 -3.33 0.00 0.00 175.10 173.42