#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 -4.49 1.20 3.02 -1.26 -5.00 115.26 108.73 1wvz n ASN 5 Ca 0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 1wvz n ASN 5 Cb 0.00 0.00 -0.10 0.00 -0.61 0.00 0.00 39.78 39.07 1wvz n ASN 5 CO 0.00 0.00 0.00 -1.59 -2.62 0.00 0.00 177.26 173.05 1wvz s LYS 6 N 2.97 3.26 -0.05 3.52 0.00 -1.26 -4.25 119.74 123.92 1wvz s LYS 6 Ca 0.00 -0.81 -0.01 0.00 0.00 0.00 0.00 55.97 55.15 1wvz s LYS 6 Cb 0.00 -3.85 0.03 0.00 0.00 0.00 0.00 37.83 34.01 1wvz s LYS 6 CO 0.00 -0.57 0.01 1.03 0.00 0.00 0.00 175.35 175.83 1wvz s ARG 7 N 1.69 0.37 -0.14 1.78 3.00 -1.26 -4.06 118.95 120.33 1wvz s ARG 7 Ca 0.05 0.16 -0.26 0.00 0.00 0.00 0.00 55.73 55.69 1wvz s ARG 7 Cb -0.18 -0.74 -0.12 0.00 0.00 0.00 0.00 34.95 33.91 1wvz s ARG 7 CO 0.10 -0.27 0.78 0.00 0.00 0.00 0.00 175.30 175.92 1wvz n ALA 8 N 4.93 -1.66 -2.44 2.13 0.00 -1.26 -2.87 120.51 119.34 1wvz n ALA 8 Ca -0.11 0.33 -0.38 0.00 0.00 0.00 0.00 53.44 53.28 1wvz n ALA 8 Cb 0.50 -1.09 -0.06 0.00 0.00 0.00 0.00 19.45 18.80 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 0.82 4.09 0.32 0.00 0.04 -1.26 -4.59 135.00 134.42 1wvz s PRO 9 Ca 0.58 0.56 -0.20 0.00 0.04 0.00 0.00 61.00 61.98 1wvz s PRO 9 Cb -0.82 -3.26 -0.09 0.00 0.04 0.00 0.00 34.50 30.37 1wvz s PRO 9 CO 0.41 0.60 0.82 1.52 0.04 0.00 0.00 177.00 180.39 1wvz s TYR 10 N -0.86 3.50 0.10 0.56 -0.85 0.43 -4.75 117.35 115.47 1wvz s TYR 10 Ca 0.26 1.47 -0.32 0.00 -0.52 0.00 0.00 57.07 57.97 1wvz s TYR 10 Cb -0.18 -2.71 -0.11 0.00 0.38 0.00 0.00 41.96 39.34 1wvz s TYR 10 CO 0.15 0.13 1.83 0.91 -1.52 0.00 0.00 175.55 177.06 1wvz n TRP 11 N 0.05 2.55 0.00 -3.49 8.01 -1.26 -0.19 117.44 123.10 1wvz n TRP 11 Ca 0.02 -0.12 0.00 0.00 -1.31 0.00 0.00 57.50 56.09 1wvz n TRP 11 Cb 0.52 -2.72 0.00 0.00 -2.01 0.00 0.00 31.31 27.11 1wvz n TRP 11 CO 0.00 0.00 0.00 0.25 -1.01 0.00 0.00 177.69 176.93 1wvz n THR 12 N 4.72 0.00 -2.57 -0.99 -2.24 -1.04 -4.76 114.28 107.40 1wvz n THR 12 Ca 0.19 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.54 1wvz n THR 12 Cb 0.36 -0.66 -0.03 0.00 -2.10 0.00 0.00 70.33 67.91 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 -1.00 7.17 -0.12 3.42 0.01 -1.24 -4.97 114.94 118.22 1wvz s ASN 13 Ca 0.00 1.71 -0.29 0.00 -0.71 0.00 0.00 52.86 53.57 1wvz s ASN 13 Cb 0.00 -2.56 -0.05 0.00 0.41 0.00 0.00 41.25 39.05 1wvz s ASN 13 CO 0.00 -0.47 1.82 0.42 -1.51 0.00 0.00 177.10 177.36 1wvz s THR 14 N 1.82 3.37 -0.82 1.60 -4.23 -1.26 -4.74 115.64 111.39 1wvz s THR 14 Ca 0.53 0.43 0.24 0.00 -1.18 0.00 0.00 61.69 61.71 1wvz s THR 14 Cb -0.22 -3.35 0.23 0.00 1.34 0.00 0.00 72.50 70.49 1wvz s THR 14 CO 0.22 -0.12 1.74 -0.62 -0.54 0.00 0.00 174.62 175.30 1wvz n GLU 15 N 7.71 0.11 0.28 3.99 1.02 -1.26 -2.72 120.64 129.76 1wvz n GLU 15 Ca 0.21 0.21 0.18 0.00 -0.02 0.00 0.00 57.16 57.73 1wvz n GLU 15 Cb 0.44 -1.66 0.79 0.00 -0.02 0.00 0.00 31.44 30.98 1wvz n GLU 15 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 1wvz h LYS 16 N 0.00 0.00 -0.55 3.49 3.64 -1.96 0.13 116.57 121.32 1wvz h LYS 16 Ca 0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1wvz h LYS 16 Cb 0.48 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.30 1wvz h LYS 16 CO 0.00 0.00 0.00 -1.33 -2.27 0.00 0.00 179.45 175.85 1wvz n MET 17 N -2.99 2.48 0.00 1.90 2.81 -1.10 -4.56 117.12 115.65 1wvz n MET 17 Ca -0.00 -1.75 0.00 0.00 -1.81 0.00 0.00 57.70 54.14 1wvz n MET 17 Cb 0.24 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.20 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 0.71 0.00 0.00 0.03 0.28 -0.76 -5.07 120.64 115.83 1wvz n GLU 18 Ca 0.16 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.16 1wvz n GLU 18 Cb 0.52 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.39 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 0.28 3.44 0.00 0.38 -4.89 118.16 117.36 1wvz n LYS 19 Ca 0.00 0.00 0.16 0.00 0.00 0.00 0.00 58.31 58.47 1wvz n LYS 19 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 35.03 35.79 1wvz n LYS 19 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 177.40 177.47 1wvz h ARG 20 N 0.00 0.00 -4.10 1.64 0.11 -1.77 -3.30 114.38 106.96 1wvz h ARG 20 Ca 0.00 0.00 -0.54 0.00 0.10 0.00 0.00 59.98 59.54 1wvz h ARG 20 Cb 0.00 0.00 -0.38 0.00 1.11 0.00 0.00 29.97 30.70 1wvz h ARG 20 CO 0.00 0.08 -0.79 -0.51 0.10 0.00 0.00 179.97 178.85 1wvz s LEU 21 N -6.65 1.52 0.13 0.08 2.01 -0.95 0.46 118.68 115.28 1wvz s LEU 21 Ca -0.01 -0.63 0.01 0.00 0.01 0.00 0.00 54.13 53.50 1wvz s LEU 21 Cb 0.11 -0.86 -0.04 0.00 0.01 0.00 0.00 46.19 45.40 1wvz s LEU 21 CO 0.55 -0.19 -0.01 -2.28 1.01 0.00 0.00 176.35 175.43 1wvz s HIS 22 N 1.67 0.98 -0.24 0.29 2.46 -0.69 -4.77 115.29 114.99 1wvz s HIS 22 Ca 0.01 -1.05 0.01 0.00 0.47 0.00 0.00 55.06 54.50 1wvz s HIS 22 Cb -0.15 -0.57 0.06 0.00 -0.13 0.00 0.00 32.58 31.79 1wvz s HIS 22 CO -0.08 -0.28 -0.03 0.00 -2.47 0.00 0.00 174.74 171.88 1wvz s ALA 23 N -3.76 1.93 -0.29 1.58 0.00 -1.26 -2.34 121.76 117.61 1wvz s ALA 23 Ca 0.19 -1.40 0.01 0.00 0.00 0.00 0.00 51.96 50.76 1wvz s ALA 23 Cb 0.06 -1.46 0.06 0.00 0.00 0.00 0.00 23.12 21.78 1wvz s ALA 23 CO -0.00 -1.25 -0.04 0.08 0.00 0.00 0.00 175.76 174.55 1wvz s VAL 24 N 1.41 2.57 0.33 0.00 1.01 -0.89 -5.00 120.40 119.82 1wvz s VAL 24 Ca -0.04 -1.59 -0.29 0.00 0.00 0.00 0.00 61.98 60.07 1wvz s VAL 24 Cb -0.19 -2.53 -0.10 0.00 0.00 0.00 0.00 36.38 33.56 1wvz s VAL 24 CO -0.08 -0.12 1.36 -2.16 0.00 0.00 0.00 175.10 174.11 1wvz s PRO 25 N 1.16 4.29 0.27 2.72 0.04 -1.26 -2.00 135.00 140.22 1wvz s PRO 25 Ca -0.06 2.30 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 1wvz s PRO 25 Cb -0.20 -3.05 -0.13 0.00 0.04 0.00 0.00 34.50 31.16 1wvz s PRO 25 CO -0.03 -0.29 1.42 0.00 0.04 0.00 0.00 177.00 178.13 1wvz n ALA 26 N 0.94 1.43 -1.01 8.56 0.00 0.27 -1.70 120.51 128.99 1wvz n ALA 26 Ca 0.01 0.39 -0.00 0.00 0.00 0.00 0.00 53.44 53.84 1wvz n ALA 26 Cb 0.41 -2.31 -0.00 0.00 0.00 0.00 0.00 19.45 17.55 1wvz n ALA 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1wvz n ALA 27 N 1.59 -0.01 -2.32 0.00 0.00 -1.24 -5.04 120.51 113.50 1wvz n ALA 27 Ca 0.09 0.01 -0.21 0.00 0.00 0.00 0.00 53.44 53.33 1wvz n ALA 27 Cb 0.33 -0.25 -0.03 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.27 5.18 0.33 0.00 3.84 -0.69 -4.81 114.94 116.52 1wvz s ASN 28 Ca 0.00 -0.63 -0.26 0.00 0.21 0.00 0.00 52.86 52.18 1wvz s ASN 28 Cb 0.00 -0.73 -0.10 0.00 -0.55 0.00 0.00 41.25 39.87 1wvz s ASN 28 CO 0.00 -0.54 0.95 0.42 -2.79 0.00 0.00 177.10 175.13 1wvz s THR 29 N -2.40 4.21 -0.25 -5.21 -4.23 -1.26 -3.86 115.64 102.64 1wvz s THR 29 Ca 0.46 1.80 -0.16 0.00 -1.18 0.00 0.00 61.69 62.61 1wvz s THR 29 Cb -0.05 -3.98 -0.03 0.00 1.34 0.00 0.00 72.50 69.78 1wvz s THR 29 CO 0.28 0.12 0.42 -0.69 -0.54 0.00 0.00 174.62 174.20 1wvz s VAL 30 N -1.64 5.15 -0.28 2.29 1.01 0.50 -4.89 120.40 122.54 1wvz s VAL 30 Ca 0.51 0.70 -0.20 0.00 0.00 0.00 0.00 61.98 62.99 1wvz s VAL 30 Cb -0.18 -3.74 -0.02 0.00 0.00 0.00 0.00 36.38 32.44 1wvz s VAL 30 CO 0.23 0.16 0.62 -0.75 0.00 0.00 0.00 175.10 175.36 1wvz s LYS 31 N 1.92 4.01 -0.20 2.72 2.36 -1.26 -1.39 119.74 127.90 1wvz s LYS 31 Ca 0.18 0.41 -0.01 0.00 -2.55 0.00 0.00 55.97 54.00 1wvz s LYS 31 Cb -0.15 -3.69 0.01 0.00 -1.05 0.00 0.00 37.83 32.95 1wvz s LYS 31 CO 0.09 -0.48 -0.13 -0.06 1.55 0.00 0.00 175.35 176.32 1wvz s PHE 32 N 2.53 2.85 -0.14 4.03 0.08 -0.11 -5.02 117.98 122.20 1wvz s PHE 32 Ca 0.25 -1.34 -0.02 0.00 0.12 0.00 0.00 56.93 55.95 1wvz s PHE 32 Cb -0.15 -2.00 -0.02 0.00 -0.57 0.00 0.00 43.02 40.28 1wvz s PHE 32 CO 0.10 -0.69 -0.09 1.03 -0.10 0.00 0.00 175.22 175.47 1wvz s ARG 33 N 1.36 3.46 -0.43 0.44 1.81 -1.26 -0.52 118.95 123.80 1wvz s ARG 33 Ca 0.05 -0.61 0.08 0.00 -1.72 0.00 0.00 55.73 53.54 1wvz s ARG 33 Cb -0.14 -2.75 0.34 0.00 -0.45 0.00 0.00 34.95 31.96 1wvz s ARG 33 CO -0.09 0.26 1.09 0.00 -0.68 0.00 0.00 175.30 175.89 1wvz s PRO 35 N -0.31 4.20 -0.21 0.00 0.04 -0.85 -4.48 135.00 133.39 1wvz s PRO 35 Ca 0.25 1.47 -0.02 0.00 0.04 0.00 0.00 61.00 62.74 1wvz s PRO 35 Cb 0.33 -3.73 0.06 0.00 0.04 0.00 0.00 34.50 31.20 1wvz s PRO 35 CO -0.06 -0.73 0.03 0.00 0.04 0.00 0.00 177.00 176.28 1wvz s ALA 36 N 3.48 1.17 0.26 8.56 0.00 -1.26 -2.49 121.76 131.49 1wvz s ALA 36 Ca 0.50 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.32 1wvz s ALA 36 Cb -0.18 -1.24 -0.09 0.00 0.00 0.00 0.00 23.12 21.60 1wvz s ALA 36 CO 0.12 -1.21 1.22 0.20 0.00 0.00 0.00 175.76 176.10 1wvz s GLY 37 N 1.78 2.86 0.00 0.00 0.00 0.73 -4.63 107.32 108.05 1wvz s GLY 37 Ca -0.01 1.06 0.00 0.00 0.00 0.00 0.00 44.72 45.77 1wvz s GLY 37 CO -0.09 1.80 0.00 0.61 0.00 0.00 0.00 173.10 175.43 1wvz n GLY 38 N 1.47 -0.53 3.70 0.20 0.00 -1.26 0.16 105.19 108.92 1wvz n GLY 38 Ca 0.02 -0.01 -0.30 0.00 0.00 0.00 0.00 46.02 45.73 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 3.19 0.00 1.61 2.20 -1.14 -4.95 114.94 111.86 1wvz s ASN 39 Ca 0.00 1.50 0.27 0.00 -0.94 0.00 0.00 52.86 53.69 1wvz s ASN 39 Cb 0.00 -2.17 1.15 0.00 -2.00 0.00 0.00 41.25 38.23 1wvz s ASN 39 CO 0.00 -2.82 1.79 -0.81 -2.94 0.00 0.00 177.10 172.32 1wvz n PRO 40 N -4.00 1.53 -3.64 3.55 -0.04 -1.26 -4.44 135.00 126.70 1wvz n PRO 40 Ca 0.07 -0.77 -0.28 0.00 -0.04 0.00 0.00 63.50 62.47 1wvz n PRO 40 Cb 0.55 -1.46 -0.10 0.00 -0.04 0.00 0.00 33.50 32.46 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 -0.05 2.28 -3.33 0.54 1.56 -1.26 -5.02 117.12 111.84 1wvz n MET 41 Ca 0.19 -4.58 -0.38 0.00 -0.27 0.00 0.00 57.70 52.65 1wvz n MET 41 Cb 0.29 -2.29 -0.07 0.00 2.15 0.00 0.00 33.22 33.31 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 -1.99 4.23 -0.32 2.12 0.04 -1.26 -4.68 135.00 133.15 1wvz s PRO 42 Ca 0.32 0.33 0.03 0.00 0.04 0.00 0.00 61.00 61.73 1wvz s PRO 42 Cb 0.05 -3.51 0.09 0.00 0.04 0.00 0.00 34.50 31.16 1wvz s PRO 42 CO -0.09 -0.01 0.01 0.99 0.04 0.00 0.00 177.00 177.94 1wvz s THR 43 N 1.20 2.31 0.15 1.26 2.01 -0.85 -5.04 115.64 116.67 1wvz s THR 43 Ca 0.22 -2.10 0.09 0.00 0.31 0.00 0.00 61.69 60.21 1wvz s THR 43 Cb -0.15 -2.59 -0.04 0.00 0.01 0.00 0.00 72.50 69.73 1wvz s THR 43 CO 0.09 -0.42 -0.13 0.00 -0.69 0.00 0.00 174.62 173.47 1wvz s MET 44 N 0.98 1.97 0.03 4.92 0.23 -1.26 0.17 119.30 126.35 1wvz s MET 44 Ca 0.05 -1.20 0.05 0.00 -1.03 0.00 0.00 55.69 53.56 1wvz s MET 44 Cb -0.19 -2.17 -0.03 0.00 -1.53 0.00 0.00 34.83 30.90 1wvz s MET 44 CO -0.07 0.46 -0.10 1.03 -2.03 0.00 0.00 175.02 174.31 1wvz s ARG 45 N -2.49 2.35 -0.28 3.16 0.52 0.24 -4.91 118.95 117.55 1wvz s ARG 45 Ca 0.22 -0.85 -0.10 0.00 -0.52 0.00 0.00 55.73 54.48 1wvz s ARG 45 Cb -0.10 -2.38 -0.05 0.00 0.52 0.00 0.00 34.95 32.95 1wvz s ARG 45 CO 0.13 0.57 0.17 -1.58 0.02 0.00 0.00 175.30 174.61 1wvz s TRP 46 N -1.02 3.20 -0.05 -0.53 0.23 -1.26 -2.61 118.94 116.90 1wvz s TRP 46 Ca 0.17 0.02 0.02 0.00 -2.03 0.00 0.00 56.10 54.29 1wvz s TRP 46 Cb -0.11 -2.36 0.01 0.00 0.03 0.00 0.00 33.47 31.05 1wvz s TRP 46 CO 0.08 -0.20 -0.10 -0.51 0.96 0.00 0.00 176.95 177.19 1wvz s LEU 47 N 1.74 1.59 -0.24 2.99 1.02 -0.84 -2.51 118.68 122.41 1wvz s LEU 47 Ca 0.07 -0.24 0.02 0.00 0.02 0.00 0.00 54.13 54.00 1wvz s LEU 47 Cb -0.16 -0.69 0.06 0.00 0.02 0.00 0.00 46.19 45.42 1wvz s LEU 47 CO 0.10 0.02 -0.08 -1.59 0.02 0.00 0.00 176.35 174.81 1wvz s LYS 48 N 0.64 1.92 -0.60 1.70 -2.85 0.38 -0.19 119.74 120.74 1wvz s LYS 48 Ca -0.12 -1.14 0.00 0.00 -1.00 0.00 0.00 55.97 53.71 1wvz s LYS 48 Cb -0.14 -2.72 0.00 0.00 -2.06 0.00 0.00 37.83 32.91 1wvz s LYS 48 CO 0.02 -0.58 0.00 -1.71 0.10 0.00 0.00 175.35 173.19 1wvz n ASN 49 N 4.56 -2.49 0.00 0.03 2.85 -0.63 0.12 115.26 119.70 1wvz n ASN 49 Ca -0.13 0.31 0.00 0.00 -0.11 0.00 0.00 54.58 54.65 1wvz n ASN 49 Cb 0.43 -2.23 0.00 0.00 1.24 0.00 0.00 39.78 39.22 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 -0.60 0.49 3.85 8.20 0.00 -1.26 -5.08 105.19 110.80 1wvz n GLY 50 Ca -0.08 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.68 3.80 -0.01 1.61 2.36 0.33 -5.08 119.74 122.06 1wvz s LYS 51 Ca 0.00 0.27 0.00 0.00 -2.55 0.00 0.00 55.97 53.69 1wvz s LYS 51 Cb 0.00 -3.19 -0.04 0.00 -1.05 0.00 0.00 37.83 33.55 1wvz s LYS 51 CO 0.00 0.70 0.03 -1.83 1.55 0.00 0.00 175.35 175.80 1wvz s GLU 52 N -1.15 2.91 -0.05 4.03 -1.05 -1.26 0.14 118.70 122.26 1wvz s GLU 52 Ca 0.23 -0.54 -0.01 0.00 -0.15 0.00 0.00 54.97 54.50 1wvz s GLU 52 Cb -0.15 -2.75 0.03 0.00 -0.44 0.00 0.00 34.13 30.81 1wvz s GLU 52 CO 0.12 0.64 0.02 0.12 0.95 0.00 0.00 175.26 177.11 1wvz s PHE 53 N -1.10 0.45 0.25 4.83 2.19 -1.05 -4.99 117.98 118.57 1wvz s PHE 53 Ca 0.20 -0.02 -0.30 0.00 0.33 0.00 0.00 56.93 57.14 1wvz s PHE 53 Cb -0.12 -0.65 -0.09 0.00 -1.31 0.00 0.00 43.02 40.86 1wvz s PHE 53 CO 0.10 -0.25 1.09 -1.59 1.83 0.00 0.00 175.22 176.40 1wvz s LYS 54 N 1.84 4.64 0.62 10.12 -2.85 -1.26 -4.46 119.74 128.38 1wvz s LYS 54 Ca 0.02 1.76 0.34 0.00 -1.00 0.00 0.00 55.97 57.10 1wvz s LYS 54 Cb -0.12 -3.22 1.98 0.00 -2.06 0.00 0.00 37.83 34.41 1wvz s LYS 54 CO -0.04 0.19 2.26 -0.56 0.10 0.00 0.00 175.35 177.30 1wvz h GLN 55 N 4.20 0.00 0.00 1.78 -0.00 -1.99 0.16 115.11 119.26 1wvz h GLN 55 Ca -0.46 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.19 1wvz h GLN 55 Cb 1.21 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.69 1wvz h GLN 55 CO 0.69 0.00 0.00 0.39 -0.00 0.00 0.00 178.83 179.91 1wvz n GLU 56 N -3.56 0.83 -3.72 0.06 1.02 -1.26 -4.72 120.64 109.29 1wvz n GLU 56 Ca -0.02 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 56.98 1wvz n GLU 56 Cb 0.13 -1.50 -0.14 0.00 -0.02 0.00 0.00 31.44 29.91 1wvz n GLU 56 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 1wvz s HIS 57 N -2.15 -0.23 -0.03 -0.32 2.46 0.54 -5.04 115.29 110.52 1wvz s HIS 57 Ca 0.42 0.63 -0.25 0.00 0.47 0.00 0.00 55.06 56.32 1wvz s HIS 57 Cb 0.21 -0.08 0.05 0.00 -0.13 0.00 0.00 32.58 32.63 1wvz s HIS 57 CO 0.38 -0.22 0.55 1.03 -2.47 0.00 0.00 174.74 174.01 1wvz s ARG 58 N 1.52 0.92 -0.66 2.88 0.52 -1.26 -4.30 118.95 118.57 1wvz s ARG 58 Ca -0.06 0.08 -0.26 0.00 -0.52 0.00 0.00 55.73 54.97 1wvz s ARG 58 Cb -0.11 0.43 -0.02 0.00 0.52 0.00 0.00 34.95 35.77 1wvz s ARG 58 CO -0.07 -0.28 1.81 0.42 0.02 0.00 0.00 175.30 177.20 1wvz s ILE 59 N -1.29 3.41 0.00 1.52 -1.09 -1.14 -2.55 121.20 120.06 1wvz s ILE 59 Ca -0.12 0.14 0.00 0.00 -2.23 0.00 0.00 60.65 58.44 1wvz s ILE 59 Cb -0.02 -4.05 0.00 0.00 -1.58 0.00 0.00 42.46 36.81 1wvz s ILE 59 CO 0.08 -1.02 0.00 0.61 -1.23 0.00 0.00 174.94 173.38 1wvz n GLY 60 N 5.82 0.32 0.00 6.18 0.00 -1.26 -4.09 105.19 112.16 1wvz n GLY 60 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.74 3.47 2.98 -0.02 0.00 -1.06 -4.99 105.19 103.83 1wvz n GLY 61 Ca 0.00 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.15 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 -2.08 0.41 -0.08 1.61 1.13 -1.26 -3.71 117.35 113.36 1wvz s TYR 62 Ca 0.00 -0.28 -0.03 0.00 -1.41 0.00 0.00 57.07 55.34 1wvz s TYR 62 Cb 0.00 -0.26 0.05 0.00 -1.10 0.00 0.00 41.96 40.65 1wvz s TYR 62 CO 0.00 -0.06 0.17 0.21 -2.51 0.00 0.00 175.55 173.36 1wvz s LYS 63 N -0.80 0.07 0.00 -3.49 2.47 -0.86 -5.07 119.74 112.07 1wvz s LYS 63 Ca -0.05 0.52 0.01 0.00 -1.56 0.00 0.00 55.97 54.89 1wvz s LYS 63 Cb -0.06 -0.21 -0.01 0.00 -1.46 0.00 0.00 37.83 36.09 1wvz s LYS 63 CO -0.00 -0.26 -0.03 0.54 0.16 0.00 0.00 175.35 175.76 1wvz s VAL 64 N 1.93 0.24 0.29 4.02 0.11 -1.26 -0.37 120.40 125.35 1wvz s VAL 64 Ca -0.01 -0.27 -0.29 0.00 -2.93 0.00 0.00 61.98 58.47 1wvz s VAL 64 Cb -0.12 -0.23 -0.10 0.00 -1.53 0.00 0.00 36.38 34.40 1wvz s VAL 64 CO -0.06 -0.03 1.30 0.00 -3.33 0.00 0.00 175.10 172.98 1wvz s ARG 65 N -0.32 4.39 -1.39 1.54 3.03 -0.99 -4.92 118.95 120.28 1wvz s ARG 65 Ca -0.01 2.15 -0.08 0.00 2.03 0.00 0.00 55.73 59.81 1wvz s ARG 65 Cb -0.03 -3.11 0.08 0.00 -1.03 0.00 0.00 34.95 30.86 1wvz s ARG 65 CO -0.00 -0.18 2.36 0.09 -1.13 0.00 0.00 175.30 176.44 1wvz n ASN 66 N 1.32 6.98 0.00 -2.89 4.13 -1.26 -4.42 115.26 119.12 1wvz n ASN 66 Ca 0.02 -2.98 0.00 0.00 1.68 0.00 0.00 54.58 53.29 1wvz n ASN 66 Cb 0.42 -1.46 0.00 0.00 -1.54 0.00 0.00 39.78 37.20 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 3.13 0.00 0.00 3.52 7.27 -1.26 -5.10 117.38 124.94 1wvz n GLN 67 Ca 0.59 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.66 1wvz n GLN 67 Cb 0.29 0.00 0.00 0.00 2.41 0.00 0.00 30.24 32.94 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 0.00 0.00 0.00 3.69 1.44 -1.26 -4.66 115.22 114.43 1wvz n HIS 68 Ca 0.00 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.71 1wvz n HIS 68 Cb 0.00 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.11 1wvz n HIS 68 CO 0.00 0.00 0.00 1.87 -2.81 0.00 0.00 176.34 175.40 1wvz n TRP 69 N 0.00 -0.41 -4.18 -1.40 -0.00 -1.26 -4.23 117.44 105.95 1wvz n TRP 69 Ca 0.00 0.00 -0.12 0.00 -0.00 0.00 0.00 57.50 57.38 1wvz n TRP 69 Cb 0.00 0.11 -0.10 0.00 -0.00 0.00 0.00 31.31 31.32 1wvz n TRP 69 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 177.69 176.57 1wvz s SER 70 N 1.02 1.30 -0.06 5.87 0.01 -1.26 -2.00 113.70 118.58 1wvz s SER 70 Ca 0.00 -0.96 -0.04 0.00 1.31 0.00 0.00 55.95 56.26 1wvz s SER 70 Cb 0.00 0.06 0.03 0.00 0.21 0.00 0.00 66.02 66.32 1wvz s SER 70 CO 0.00 -0.40 0.14 -1.48 0.41 0.00 0.00 173.24 171.92 1wvz s LEU 71 N -2.92 1.01 -0.14 2.44 2.34 0.32 -2.35 118.68 119.37 1wvz s LEU 71 Ca 0.11 0.30 0.01 0.00 0.06 0.00 0.00 54.13 54.60 1wvz s LEU 71 Cb 0.03 0.41 -0.00 0.00 -0.56 0.00 0.00 46.19 46.07 1wvz s LEU 71 CO -0.03 -0.11 -0.16 -0.51 -1.06 0.00 0.00 176.35 174.48 1wvz s ILE 72 N 0.75 2.66 -0.12 1.48 -1.16 0.50 -0.94 121.20 124.37 1wvz s ILE 72 Ca -0.06 -0.78 0.02 0.00 -0.51 0.00 0.00 60.65 59.32 1wvz s ILE 72 Cb -0.07 -2.11 0.01 0.00 0.61 0.00 0.00 42.46 40.90 1wvz s ILE 72 CO -0.04 0.52 -0.16 0.00 -2.81 0.00 0.00 174.94 172.46 1wvz s MET 73 N 0.68 2.33 -0.29 3.50 0.23 -0.49 -2.02 119.30 123.23 1wvz s MET 73 Ca -0.08 -0.60 -0.29 0.00 -1.03 0.00 0.00 55.69 53.69 1wvz s MET 73 Cb -0.16 -1.97 0.01 0.00 -1.53 0.00 0.00 34.83 31.18 1wvz s MET 73 CO 0.02 -0.07 1.06 -2.00 -2.03 0.00 0.00 175.02 172.00 1wvz s GLU 74 N 1.00 4.12 -0.34 3.16 2.12 -1.24 -0.37 118.70 127.16 1wvz s GLU 74 Ca -0.06 1.16 -0.00 0.00 0.36 0.00 0.00 54.97 56.43 1wvz s GLU 74 Cb -0.15 -3.71 0.11 0.00 0.26 0.00 0.00 34.13 30.64 1wvz s GLU 74 CO -0.02 -0.82 0.13 -1.12 -0.54 0.00 0.00 175.26 172.89 1wvz s SER 75 N 1.52 3.92 -0.09 -1.70 0.01 -1.25 -2.88 113.70 113.23 1wvz s SER 75 Ca 0.45 -1.87 -0.23 0.00 1.31 0.00 0.00 55.95 55.61 1wvz s SER 75 Cb -0.13 -0.89 -0.29 0.00 0.21 0.00 0.00 66.02 64.93 1wvz s SER 75 CO 0.13 -0.38 0.77 1.62 0.41 0.00 0.00 173.24 175.79 1wvz h VAL 76 N 6.17 1.49 0.05 3.43 3.04 -1.81 -3.27 116.25 125.36 1wvz h VAL 76 Ca -0.10 -2.45 -0.31 0.00 -1.01 0.00 0.00 66.70 62.83 1wvz h VAL 76 Cb 0.99 3.13 -0.03 0.00 -2.01 0.00 0.00 31.29 33.38 1wvz h VAL 76 CO 0.46 0.66 -1.72 0.52 -1.01 0.00 0.00 177.57 176.48 1wvz n VAL 77 N -4.24 1.64 0.25 1.51 0.31 -1.26 -3.74 118.33 112.80 1wvz n VAL 77 Ca -0.15 -0.35 0.15 0.00 -0.01 0.00 0.00 64.34 63.98 1wvz n VAL 77 Cb 0.73 -1.87 0.79 0.00 -0.91 0.00 0.00 33.84 32.58 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 -0.49 0.00 -0.25 5.55 0.11 -1.96 -2.64 132.00 132.32 1wvz h PRO 78 Ca -0.42 0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.77 1wvz h PRO 78 Cb 1.67 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.77 1wvz h PRO 78 CO -0.09 0.00 0.39 0.66 -0.21 0.00 0.00 178.00 178.75 1wvz h SER 79 N 0.00 0.00 -0.49 -2.05 4.64 -1.72 0.24 113.55 114.17 1wvz h SER 79 Ca 0.00 0.00 0.14 0.00 -0.47 0.00 0.00 61.79 61.46 1wvz h SER 79 Cb 0.06 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1wvz h SER 79 CO 0.00 0.00 0.38 -2.24 -0.87 0.00 0.00 176.83 174.10 1wvz h ASP 80 N 0.00 0.00 -3.51 4.97 2.03 -1.76 -3.34 116.42 114.81 1wvz h ASP 80 Ca 0.12 0.00 -0.68 0.00 -0.73 0.00 0.00 57.03 55.73 1wvz h ASP 80 Cb 0.90 0.00 -0.18 0.00 -0.83 0.00 0.00 39.33 39.22 1wvz h ASP 80 CO -0.00 0.00 -0.09 -0.75 -1.03 0.00 0.00 179.24 177.37 1wvz s LYS 81 N -4.92 3.14 -0.82 4.15 2.20 0.84 -4.87 119.74 119.46 1wvz s LYS 81 Ca -0.05 -0.69 0.01 0.00 -0.36 0.00 0.00 55.97 54.88 1wvz s LYS 81 Cb 0.19 -3.98 0.34 0.00 -1.51 0.00 0.00 37.83 32.87 1wvz s LYS 81 CO 0.69 -0.94 1.64 0.41 -0.36 0.00 0.00 175.35 176.78 1wvz n GLY 82 N 5.10 5.86 2.95 5.54 0.00 -1.25 -4.92 105.19 118.46 1wvz n GLY 82 Ca -0.06 -2.61 -0.30 0.00 0.00 0.00 0.00 46.02 43.04 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 -1.93 3.84 -0.25 1.61 2.47 -1.26 -2.56 114.94 116.86 1wvz s ASN 83 Ca 0.46 -1.16 -0.12 0.00 0.42 0.00 0.00 52.86 52.46 1wvz s ASN 83 Cb 0.30 -1.21 -0.05 0.00 -1.45 0.00 0.00 41.25 38.85 1wvz s ASN 83 CO -0.22 -0.22 0.23 -0.47 -3.72 0.00 0.00 177.10 172.70 1wvz s TYR 84 N 1.37 3.29 -0.14 0.43 6.14 -0.65 -1.61 117.35 126.19 1wvz s TYR 84 Ca -0.06 0.27 0.00 0.00 0.64 0.00 0.00 57.07 57.93 1wvz s TYR 84 Cb -0.19 -2.38 0.02 0.00 0.42 0.00 0.00 41.96 39.84 1wvz s TYR 84 CO -0.06 -0.05 -0.12 0.99 0.64 0.00 0.00 175.55 176.96 1wvz s THR 85 N 1.42 1.36 -0.30 4.34 2.01 0.73 0.42 115.64 125.62 1wvz s THR 85 Ca 0.10 -0.51 -0.03 0.00 0.31 0.00 0.00 61.69 61.56 1wvz s THR 85 Cb -0.15 -1.32 0.04 0.00 0.01 0.00 0.00 72.50 71.09 1wvz s THR 85 CO 0.07 0.42 0.01 0.00 -0.69 0.00 0.00 174.62 174.44 1wvz s VAL 87 N 1.30 3.73 -0.39 0.00 1.01 -1.07 -0.07 120.40 124.91 1wvz s VAL 87 Ca -0.04 -1.58 -0.17 0.00 0.00 0.00 0.00 61.98 60.19 1wvz s VAL 87 Cb -0.19 -3.33 0.01 0.00 0.00 0.00 0.00 36.38 32.86 1wvz s VAL 87 CO -0.01 -0.48 0.42 -0.69 0.00 0.00 0.00 175.10 174.34 1wvz s VAL 88 N 1.31 5.11 0.10 2.92 1.01 -0.50 0.83 120.40 131.18 1wvz s VAL 88 Ca 0.03 -0.17 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1wvz s VAL 88 Cb -0.22 -3.96 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1wvz s VAL 88 CO -0.00 -0.30 0.18 -0.70 0.00 0.00 0.00 175.10 174.28 1wvz s GLU 89 N 2.11 3.23 0.29 2.72 -6.30 0.45 -1.40 118.70 119.80 1wvz s GLU 89 Ca 0.12 -0.60 0.02 0.00 -2.50 0.00 0.00 54.97 52.02 1wvz s GLU 89 Cb -0.17 -2.89 -0.03 0.00 0.00 0.00 0.00 34.13 31.05 1wvz s GLU 89 CO 0.13 0.56 0.29 0.54 0.02 0.00 0.00 175.26 176.80 1wvz s ASN 90 N -2.72 1.01 0.11 -1.70 4.22 0.23 -2.01 114.94 114.09 1wvz s ASN 90 Ca 0.33 -1.56 0.19 0.00 -2.14 0.00 0.00 52.86 49.68 1wvz s ASN 90 Cb -0.12 0.53 0.80 0.00 1.28 0.00 0.00 41.25 43.74 1wvz s ASN 90 CO 0.26 -1.05 1.60 1.21 -2.04 0.00 0.00 177.10 177.08 1wvz n GLU 91 N -0.50 0.09 -0.00 3.55 2.13 -1.26 -2.48 120.64 122.17 1wvz n GLU 91 Ca 0.04 0.30 0.07 0.00 0.66 0.00 0.00 57.16 58.23 1wvz n GLU 91 Cb 0.63 -1.66 0.06 0.00 0.27 0.00 0.00 31.44 30.74 1wvz n GLU 91 CO 0.00 0.00 0.00 0.98 -0.41 0.00 0.00 177.13 177.70 1wvz n TYR 92 N -1.82 0.01 0.00 4.31 9.36 -1.26 -5.02 117.16 122.75 1wvz n TYR 92 Ca 0.03 -0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.24 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 0.77 1.93 3.02 2.98 0.00 -1.03 -4.91 105.19 107.94 1wvz n GLY 93 Ca 0.08 -1.26 -0.24 0.00 0.00 0.00 0.00 46.02 44.60 1wvz n GLY 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1wvz s SER 94 N 0.00 1.70 0.19 1.61 1.04 -1.26 0.78 113.70 117.76 1wvz s SER 94 Ca 0.00 -0.28 0.10 0.00 0.48 0.00 0.00 55.95 56.25 1wvz s SER 94 Cb 0.00 -0.74 -0.04 0.00 0.10 0.00 0.00 66.02 65.33 1wvz s SER 94 CO 0.00 0.04 -0.15 -0.63 0.98 0.00 0.00 173.24 173.48 1wvz s ILE 95 N 0.60 2.85 -0.02 -1.02 1.01 -0.49 -4.98 121.20 119.14 1wvz s ILE 95 Ca -0.13 -1.84 0.05 0.00 0.00 0.00 0.00 60.65 58.73 1wvz s ILE 95 Cb -0.15 -2.40 -0.01 0.00 0.01 0.00 0.00 42.46 39.91 1wvz s ILE 95 CO 0.03 -0.13 -0.16 0.20 0.00 0.00 0.00 174.94 174.87 1wvz s ASN 96 N -2.83 1.97 -0.02 3.58 0.01 -1.26 -1.41 114.94 114.98 1wvz s ASN 96 Ca 0.24 -0.31 0.01 0.00 -0.71 0.00 0.00 52.86 52.09 1wvz s ASN 96 Cb -0.08 -0.32 0.01 0.00 0.41 0.00 0.00 41.25 41.26 1wvz s ASN 96 CO 0.13 0.18 -0.03 -1.00 -1.51 0.00 0.00 177.10 174.87 1wvz s HIS 97 N -0.25 0.48 -0.06 2.20 3.76 0.90 -4.97 115.29 117.35 1wvz s HIS 97 Ca 0.03 -0.09 0.04 0.00 -0.15 0.00 0.00 55.06 54.89 1wvz s HIS 97 Cb -0.08 -0.40 -0.02 0.00 1.11 0.00 0.00 32.58 33.19 1wvz s HIS 97 CO 0.00 -0.08 -0.18 0.95 -0.85 0.00 0.00 174.74 174.58 1wvz s THR 98 N 0.42 2.74 0.02 1.30 -4.23 -1.26 0.71 115.64 115.34 1wvz s THR 98 Ca -0.05 -0.83 0.01 0.00 -1.18 0.00 0.00 61.69 59.65 1wvz s THR 98 Cb -0.08 -2.06 -0.01 0.00 1.34 0.00 0.00 72.50 71.69 1wvz s THR 98 CO -0.00 0.57 -0.05 -0.31 -0.54 0.00 0.00 174.62 174.29 1wvz s TYR 99 N -0.42 0.44 -0.26 3.99 1.51 0.17 -4.88 117.35 117.89 1wvz s TYR 99 Ca 0.05 -0.30 -0.13 0.00 -1.01 0.00 0.00 57.07 55.67 1wvz s TYR 99 Cb -0.12 -0.27 -0.04 0.00 -0.11 0.00 0.00 41.96 41.41 1wvz s TYR 99 CO 0.02 -0.07 0.29 -1.01 -1.11 0.00 0.00 175.55 173.67 1wvz s HIS 100 N -0.79 3.26 0.11 2.71 3.76 0.17 -1.63 115.29 122.89 1wvz s HIS 100 Ca -0.06 0.32 0.09 0.00 -0.15 0.00 0.00 55.06 55.26 1wvz s HIS 100 Cb -0.06 -2.46 -0.04 0.00 1.11 0.00 0.00 32.58 31.13 1wvz s HIS 100 CO -0.00 -0.14 -0.22 -0.48 -0.85 0.00 0.00 174.74 173.05 1wvz s LEU 101 N 1.74 2.31 0.15 0.89 0.05 -1.06 -1.70 118.68 121.06 1wvz s LEU 101 Ca 0.12 -0.71 0.09 0.00 0.05 0.00 0.00 54.13 53.68 1wvz s LEU 101 Cb -0.15 -0.96 -0.04 0.00 -2.05 0.00 0.00 46.19 42.99 1wvz s LEU 101 CO 0.09 0.08 -0.19 -0.62 -0.55 0.00 0.00 176.35 175.16 1wvz s ASP 102 N -1.98 2.70 -0.10 1.48 2.15 -0.99 -4.38 116.67 115.54 1wvz s ASP 102 Ca 0.09 -0.83 -0.11 0.00 0.43 0.00 0.00 52.55 52.13 1wvz s ASP 102 Cb -0.10 -0.16 -0.05 0.00 -0.30 0.00 0.00 42.92 42.32 1wvz s ASP 102 CO 0.05 -0.01 0.25 -0.69 -0.17 0.00 0.00 175.17 174.60 1wvz s VAL 103 N -1.86 5.31 -0.73 1.11 1.01 -1.26 -2.10 120.40 121.88 1wvz s VAL 103 Ca 0.14 0.47 0.06 0.00 0.00 0.00 0.00 61.98 62.65 1wvz s VAL 103 Cb -0.07 -3.55 0.05 0.00 0.00 0.00 0.00 36.38 32.81 1wvz s VAL 103 CO 0.06 0.54 0.69 0.52 0.00 0.00 0.00 175.10 176.91