#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wrl s HIS 3 N 0.00 2.68 -0.34 0.00 3.76 -1.26 -5.10 115.29 115.04 2wrl s HIS 3 Ca 0.00 -1.13 0.00 0.00 -0.15 0.00 0.00 55.06 53.79 2wrl s HIS 3 Cb 0.00 -1.81 0.08 0.00 1.11 0.00 0.00 32.58 31.96 2wrl s HIS 3 CO 0.00 -0.49 0.05 0.21 -0.85 0.00 0.00 174.74 173.66 2wrl s LYS 4 N 0.65 2.00 1.26 1.40 2.20 -1.26 -5.12 119.74 120.88 2wrl s LYS 4 Ca -0.10 -1.61 -0.17 0.00 -0.36 0.00 0.00 55.97 53.73 2wrl s LYS 4 Cb -0.16 -3.25 0.30 0.00 -1.51 0.00 0.00 37.83 33.20 2wrl s LYS 4 CO 0.02 -0.83 0.81 1.63 -0.36 0.00 0.00 175.35 176.62 2wrl n LYS 5 N 4.47 -3.13 -2.84 4.03 4.76 -1.26 -4.95 118.16 119.24 2wrl n LYS 5 Ca -0.05 -0.90 -0.41 0.00 -2.87 0.00 0.00 58.31 54.07 2wrl n LYS 5 Cb 0.42 -2.00 -0.04 0.00 -1.84 0.00 0.00 35.03 31.57 2wrl n LYS 5 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 2wrl s GLY 6 N -2.47 2.36 0.37 0.72 0.00 -1.26 -5.05 107.32 101.98 2wrl s GLY 6 Ca 0.65 0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.62 2wrl s GLY 6 CO 0.62 1.65 0.53 1.08 0.00 0.00 0.00 173.10 176.98 2wrl s LEU 7 N 1.74 3.87 0.00 0.66 1.43 -1.26 -5.13 118.68 119.98 2wrl s LEU 7 Ca 0.42 -0.07 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 2wrl s LEU 7 Cb -0.18 -2.85 0.00 0.00 0.03 0.00 0.00 46.19 43.19 2wrl s LEU 7 CO 0.17 -0.53 0.00 0.61 0.23 0.00 0.00 176.35 176.83 2wrl n GLY 8 N -1.77 1.95 3.34 -3.19 0.00 -1.26 -5.16 105.19 99.09 2wrl n GLY 8 Ca 0.01 -2.02 -0.19 0.00 0.00 0.00 0.00 46.02 43.81 2wrl n GLY 8 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wrl s SER 9 N -0.99 1.58 0.27 1.61 0.15 -1.26 -5.19 113.70 109.88 2wrl s SER 9 Ca 0.00 -1.72 0.02 0.00 0.70 0.00 0.00 55.95 54.94 2wrl s SER 9 Cb 0.00 0.59 -0.05 0.00 -1.71 0.00 0.00 66.02 64.85 2wrl s SER 9 CO 0.00 -1.13 0.10 -0.89 1.20 0.00 0.00 173.24 172.51 2wrl s THR 10 N -3.29 0.59 -0.19 6.45 2.01 -1.26 -5.07 115.64 114.88 2wrl s THR 10 Ca 0.39 -2.00 0.23 0.00 0.31 0.00 0.00 61.69 60.61 2wrl s THR 10 Cb 0.01 -2.64 0.47 0.00 0.01 0.00 0.00 72.50 70.36 2wrl s THR 10 CO 0.27 0.00 1.15 0.54 -0.69 0.00 0.00 174.62 175.89 2wrl n ARG 11 N -0.50 1.24 0.00 4.92 1.74 -1.26 -4.88 116.66 117.93 2wrl n ARG 11 Ca -0.00 -2.94 0.00 0.00 -0.77 0.00 0.00 57.85 54.14 2wrl n ARG 11 Cb 0.66 -1.04 0.00 0.00 -1.02 0.00 0.00 32.46 31.06 2wrl n ARG 11 CO 0.00 0.00 0.00 0.09 -1.52 0.00 0.00 177.63 176.20 2wrl n ASN 12 N -0.37 0.29 -1.47 0.55 5.03 -1.26 -4.89 115.26 113.14 2wrl n ASN 12 Ca 0.04 -0.88 0.00 0.00 0.87 0.00 0.00 54.58 54.62 2wrl n ASN 12 Cb 0.89 0.05 0.00 0.00 -1.02 0.00 0.00 39.78 39.70 2wrl n ASN 12 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2wrl n GLY 13 N 0.05 0.39 3.29 7.41 0.00 -1.26 -4.71 105.19 110.36 2wrl n GLY 13 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2wrl n GLY 13 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 14 N 1.38 1.16 -0.01 1.61 0.52 -1.26 -5.14 118.95 117.21 2wrl s ARG 14 Ca 0.00 -1.31 -0.28 0.00 -0.52 0.00 0.00 55.73 53.62 2wrl s ARG 14 Cb 0.00 -1.18 0.10 0.00 0.52 0.00 0.00 34.95 34.39 2wrl s ARG 14 CO 0.00 0.24 0.86 0.34 0.02 0.00 0.00 175.30 176.76 2wrl s ASP 15 N -2.48 -0.41 0.32 0.23 3.68 -1.26 -5.18 116.67 111.57 2wrl s ASP 15 Ca 0.12 0.10 -0.03 0.00 2.13 0.00 0.00 52.55 54.87 2wrl s ASP 15 Cb -0.06 0.41 -0.04 0.00 -1.45 0.00 0.00 42.92 41.77 2wrl s ASP 15 CO 0.05 -0.62 0.56 -0.55 0.13 0.00 0.00 175.17 174.73 2wrl s SER 16 N -2.25 6.37 0.01 -0.34 0.15 -1.26 -5.04 113.70 111.35 2wrl s SER 16 Ca 0.03 0.61 -0.30 0.00 0.70 0.00 0.00 55.95 56.99 2wrl s SER 16 Cb -0.01 -2.10 -0.07 0.00 -1.71 0.00 0.00 66.02 62.13 2wrl s SER 16 CO -0.07 -0.25 1.58 -1.58 1.20 0.00 0.00 173.24 174.12 2wrl s GLN 17 N -3.90 4.22 -0.24 5.44 2.00 -1.26 -4.93 119.66 120.98 2wrl s GLN 17 Ca 0.42 2.18 -0.29 0.00 -2.00 0.00 0.00 55.36 55.68 2wrl s GLN 17 Cb -0.10 -3.70 -0.03 0.00 0.80 0.00 0.00 33.01 29.97 2wrl s GLN 17 CO 0.33 -0.72 1.87 0.00 -0.50 0.00 0.00 175.29 176.27 2wrl s ALA 18 N 2.98 3.00 -0.75 1.58 0.00 -1.26 -4.95 121.76 122.37 2wrl s ALA 18 Ca 0.71 0.54 -0.21 0.00 0.00 0.00 0.00 51.96 53.00 2wrl s ALA 18 Cb -0.35 -3.97 0.10 0.00 0.00 0.00 0.00 23.12 18.89 2wrl s ALA 18 CO 0.30 -2.40 0.98 0.21 0.00 0.00 0.00 175.76 174.85 2wrl s LYS 19 N 5.46 3.28 -0.88 0.00 2.20 -1.26 -4.96 119.74 123.58 2wrl s LYS 19 Ca 0.83 -1.25 -0.23 0.00 -0.36 0.00 0.00 55.97 54.96 2wrl s LYS 19 Cb -0.27 -4.48 -0.21 0.00 -1.51 0.00 0.00 37.83 31.35 2wrl s LYS 19 CO 0.34 -1.76 2.46 0.54 -0.36 0.00 0.00 175.35 176.57 2wrl n ARG 20 N 7.06 0.27 0.00 4.03 3.00 -1.26 -4.87 116.66 124.89 2wrl n ARG 20 Ca 0.05 -0.11 0.00 0.00 -0.01 0.00 0.00 57.85 57.78 2wrl n ARG 20 Cb 0.46 -2.02 0.00 0.00 0.00 0.00 0.00 32.46 30.90 2wrl n ARG 20 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 2wrl n LEU 21 N 11.26 0.00 0.00 0.55 4.77 -1.26 -5.01 117.00 127.31 2wrl n LEU 21 Ca 0.59 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.57 2wrl n LEU 21 Cb 0.21 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.30 2wrl n LEU 21 CO 0.89 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 2wrl n GLY 22 N 5.00 -2.82 3.68 -0.72 0.00 -1.14 -4.86 105.19 104.33 2wrl n GLY 22 Ca 0.00 -1.79 -0.41 0.00 0.00 0.00 0.00 46.02 43.82 2wrl n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 23 N -0.65 4.96 -0.88 1.61 1.01 -1.26 -1.10 120.40 124.10 2wrl s VAL 23 Ca 0.00 1.46 0.24 0.00 0.00 0.00 0.00 61.98 63.69 2wrl s VAL 23 Cb 0.00 -4.06 -0.02 0.00 0.00 0.00 0.00 36.38 32.30 2wrl s VAL 23 CO 0.00 0.11 1.30 0.29 0.00 0.00 0.00 175.10 176.80 2wrl n LYS 24 N 4.79 0.10 -3.98 2.72 4.76 0.42 -4.95 118.16 122.02 2wrl n LYS 24 Ca 0.01 0.01 -0.10 0.00 -2.87 0.00 0.00 58.31 55.37 2wrl n LYS 24 Cb 0.50 -1.55 -0.07 0.00 -1.84 0.00 0.00 35.03 32.07 2wrl n LYS 24 CO 0.00 0.00 0.00 1.03 -1.37 0.00 0.00 177.40 177.06 2wrl s ARG 25 N -3.06 1.16 0.27 1.97 1.81 -0.76 -4.97 118.95 115.37 2wrl s ARG 25 Ca 0.09 -1.21 0.03 0.00 -1.72 0.00 0.00 55.73 52.92 2wrl s ARG 25 Cb 0.16 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.99 2wrl s ARG 25 CO 0.73 -0.42 0.20 0.71 -0.68 0.00 0.00 175.30 175.84 2wrl s TYR 26 N -3.98 1.48 0.67 -0.53 1.51 -1.26 -4.95 117.35 110.29 2wrl s TYR 26 Ca 0.19 -1.51 -0.14 0.00 -1.01 0.00 0.00 57.07 54.60 2wrl s TYR 26 Cb 0.04 -0.67 0.00 0.00 -0.11 0.00 0.00 41.96 41.22 2wrl s TYR 26 CO 0.01 -0.73 1.09 -1.21 -1.11 0.00 0.00 175.55 173.61 2wrl s GLU 27 N -3.80 2.80 0.00 -0.62 8.01 -1.23 -2.50 118.70 121.36 2wrl s GLU 27 Ca 0.39 1.29 0.00 0.00 0.01 0.00 0.00 54.97 56.66 2wrl s GLU 27 Cb 0.05 -1.96 0.00 0.00 -4.31 0.00 0.00 34.13 27.91 2wrl s GLU 27 CO 0.20 -1.24 0.00 0.41 0.01 0.00 0.00 175.26 174.64 2wrl n GLY 28 N -0.83 0.76 2.98 -1.39 0.00 -1.25 -4.98 105.19 100.49 2wrl n GLY 28 Ca 0.10 0.00 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2wrl n GLY 28 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wrl s GLN 29 N -0.46 1.75 0.32 1.61 -0.21 -1.04 -5.09 119.66 116.54 2wrl s GLN 29 Ca 0.00 -0.38 -0.13 0.00 0.02 0.00 0.00 55.36 54.87 2wrl s GLN 29 Cb 0.00 -1.59 -0.08 0.00 1.00 0.00 0.00 33.01 32.34 2wrl s GLN 29 CO 0.00 -0.11 0.70 0.14 -2.12 0.00 0.00 175.29 173.90 2wrl s VAL 30 N 1.15 4.76 0.18 1.09 -7.23 -1.26 -3.04 120.40 116.03 2wrl s VAL 30 Ca -0.05 0.77 -0.02 0.00 -1.81 0.00 0.00 61.98 60.87 2wrl s VAL 30 Cb -0.14 -3.64 -0.03 0.00 0.56 0.00 0.00 36.38 33.12 2wrl s VAL 30 CO -0.02 -0.24 0.14 0.68 -0.31 0.00 0.00 175.10 175.35 2wrl s VAL 31 N -2.04 0.04 0.10 1.32 -7.23 0.39 -4.97 120.40 108.02 2wrl s VAL 31 Ca 0.52 -1.88 0.05 0.00 -1.81 0.00 0.00 61.98 58.87 2wrl s VAL 31 Cb -0.10 -2.26 -0.04 0.00 0.56 0.00 0.00 36.38 34.54 2wrl s VAL 31 CO 0.21 -0.19 -0.00 -0.13 -0.31 0.00 0.00 175.10 174.68 2wrl s ARG 32 N -4.09 2.51 0.11 4.82 0.52 -1.26 -1.75 118.95 119.81 2wrl s ARG 32 Ca 0.31 -0.88 -0.36 0.00 -0.52 0.00 0.00 55.73 54.28 2wrl s ARG 32 Cb 0.06 -2.51 -0.16 0.00 0.52 0.00 0.00 34.95 32.87 2wrl s ARG 32 CO 0.07 0.53 1.40 0.00 0.02 0.00 0.00 175.30 177.32 2wrl n ALA 33 N 0.46 -0.29 0.00 2.13 0.00 -1.09 -1.60 120.51 120.12 2wrl n ALA 33 Ca -0.11 0.49 0.00 0.00 0.00 0.00 0.00 53.44 53.83 2wrl n ALA 33 Cb 0.52 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.82 2wrl n ALA 33 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wrl n GLY 34 N 2.74 3.28 3.38 0.00 0.00 0.38 -4.95 105.19 110.03 2wrl n GLY 34 Ca 0.18 -0.92 -0.61 0.00 0.00 0.00 0.00 46.02 44.66 2wrl n GLY 34 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 2wrl n ASN 35 N 0.67 1.06 -4.72 1.61 4.13 -0.63 -4.27 115.26 113.11 2wrl n ASN 35 Ca 0.00 1.04 -0.42 0.00 1.68 0.00 0.00 54.58 56.88 2wrl n ASN 35 Cb 0.00 -0.81 -0.03 0.00 -1.54 0.00 0.00 39.78 37.40 2wrl n ASN 35 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 2wrl s ILE 36 N 3.08 3.98 -0.18 2.41 -4.36 -1.26 -1.79 121.20 123.08 2wrl s ILE 36 Ca 0.98 1.48 -0.22 0.00 -0.26 0.00 0.00 60.65 62.62 2wrl s ILE 36 Cb -1.38 -3.95 -0.22 0.00 1.25 0.00 0.00 42.46 38.17 2wrl s ILE 36 CO 0.73 0.15 0.39 -0.07 0.24 0.00 0.00 174.94 176.38 2wrl h LEU 37 N 6.40 0.05 -8.30 0.37 3.38 0.18 -3.42 115.31 113.96 2wrl h LEU 37 Ca -0.42 -0.67 -0.40 0.00 0.09 0.00 0.00 57.88 56.48 2wrl h LEU 37 Cb 1.21 -0.02 -0.23 0.00 0.09 0.00 0.00 40.66 41.71 2wrl h LEU 37 CO 0.79 1.40 -0.78 -0.69 0.09 0.00 0.00 178.44 179.25 2wrl s VAL 38 N -2.35 0.97 -0.59 1.22 1.01 -0.33 0.16 120.40 120.49 2wrl s VAL 38 Ca -0.25 -1.07 0.05 0.00 0.00 0.00 0.00 61.98 60.71 2wrl s VAL 38 Cb 0.04 -0.92 0.32 0.00 0.00 0.00 0.00 36.38 35.81 2wrl s VAL 38 CO 0.64 -0.13 0.89 0.54 0.00 0.00 0.00 175.10 177.04 2wrl n ARG 39 N 1.68 3.01 -2.47 2.72 5.12 -0.26 -1.32 116.66 125.14 2wrl n ARG 39 Ca -0.20 -4.78 -0.23 0.00 -1.93 0.00 0.00 57.85 50.71 2wrl n ARG 39 Cb 0.55 -2.23 0.06 0.00 -1.16 0.00 0.00 32.46 29.68 2wrl n ARG 39 CO 0.00 0.00 0.00 1.14 -1.93 0.00 0.00 177.63 176.84 2wrl s GLN 40 N -3.20 2.24 0.00 5.56 -2.07 -1.26 -2.89 119.66 118.04 2wrl s GLN 40 Ca 0.47 -0.66 0.00 0.00 -1.82 0.00 0.00 55.36 53.34 2wrl s GLN 40 Cb 0.25 -2.35 0.00 0.00 -1.09 0.00 0.00 33.01 29.82 2wrl s GLN 40 CO -0.11 -1.04 0.00 -2.13 -1.32 0.00 0.00 175.29 170.69 2wrl n ARG 41 N -2.64 0.00 0.00 9.60 3.00 -1.26 -4.62 116.66 120.74 2wrl n ARG 41 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.94 2wrl n ARG 41 Cb 0.60 -0.05 0.00 0.00 0.00 0.00 0.00 32.46 33.01 2wrl n ARG 41 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wrl n GLY 42 N 2.57 -1.75 2.75 5.14 0.00 -1.26 -4.65 105.19 107.98 2wrl n GLY 42 Ca 0.00 -0.52 -0.28 0.00 0.00 0.00 0.00 46.02 45.22 2wrl n GLY 42 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2wrl n THR 43 N 0.00 2.97 -0.03 2.61 5.66 -1.26 -4.81 114.28 119.42 2wrl n THR 43 Ca 0.00 -5.31 -0.09 0.00 -3.05 0.00 0.00 64.05 55.59 2wrl n THR 43 Cb 0.00 -1.35 -0.03 0.00 -1.55 0.00 0.00 70.33 67.40 2wrl n THR 43 CO 0.00 0.00 0.00 0.03 -3.05 0.00 0.00 175.07 172.05 2wrl h ARG 44 N 2.88 -0.31 -4.54 1.09 3.08 -1.96 -3.35 114.38 111.27 2wrl h ARG 44 Ca 0.23 0.02 -0.69 0.00 0.07 0.00 0.00 59.98 59.61 2wrl h ARG 44 Cb 0.64 0.07 -0.34 0.00 0.08 0.00 0.00 29.97 30.42 2wrl h ARG 44 CO 0.87 -0.21 -0.58 -0.06 -1.07 0.00 0.00 179.97 178.93 2wrl s PHE 45 N -6.03 3.52 0.61 3.04 0.40 -1.26 -4.40 117.98 113.85 2wrl s PHE 45 Ca -0.15 -2.26 -0.18 0.00 -0.60 0.00 0.00 56.93 53.74 2wrl s PHE 45 Cb 0.11 -2.98 -0.02 0.00 0.51 0.00 0.00 43.02 40.63 2wrl s PHE 45 CO 0.67 -0.93 1.16 0.15 0.70 0.00 0.00 175.22 176.97 2wrl s LYS 46 N 1.18 2.94 0.29 0.44 1.02 -0.94 -4.83 119.74 119.83 2wrl s LYS 46 Ca 0.05 1.64 -0.29 0.00 0.02 0.00 0.00 55.97 57.40 2wrl s LYS 46 Cb -0.22 -1.95 -0.10 0.00 -0.52 0.00 0.00 37.83 35.04 2wrl s LYS 46 CO -0.03 -1.19 1.33 -2.14 -0.92 0.00 0.00 175.35 172.40 2wrl s PRO 47 N -3.58 4.35 0.00 -1.68 0.02 -1.26 -1.66 135.00 131.18 2wrl s PRO 47 Ca 0.73 2.20 0.00 0.00 0.02 0.00 0.00 61.00 63.95 2wrl s PRO 47 Cb -0.26 -3.10 0.00 0.00 0.02 0.00 0.00 34.50 31.16 2wrl s PRO 47 CO 0.35 -0.24 0.00 0.41 -0.33 0.00 0.00 177.00 177.18 2wrl n GLY 48 N 1.42 2.96 3.71 0.52 0.00 -0.13 -4.59 105.19 109.08 2wrl n GLY 48 Ca 0.03 -1.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 2wrl n GLY 48 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl s LYS 49 N 4.96 4.49 -1.33 1.61 1.02 -1.26 -3.64 119.74 125.59 2wrl s LYS 49 Ca 0.00 1.53 -0.03 0.00 0.02 0.00 0.00 55.97 57.49 2wrl s LYS 49 Cb 0.00 -3.45 0.02 0.00 -0.52 0.00 0.00 37.83 33.88 2wrl s LYS 49 CO 0.00 -0.17 0.87 0.09 -0.92 0.00 0.00 175.35 175.22 2wrl n ASN 50 N 4.16 -2.54 -3.43 2.83 3.02 -1.26 -1.39 115.26 116.65 2wrl n ASN 50 Ca 0.08 -0.74 -0.22 0.00 -0.03 0.00 0.00 54.58 53.66 2wrl n ASN 50 Cb 0.49 -4.37 -0.10 0.00 -0.61 0.00 0.00 39.78 35.18 2wrl n ASN 50 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 2wrl s VAL 51 N -3.50 -0.17 0.79 2.41 1.01 -1.24 -2.31 120.40 117.39 2wrl s VAL 51 Ca 0.18 -1.06 -0.12 0.00 0.00 0.00 0.00 61.98 60.98 2wrl s VAL 51 Cb -0.09 -0.91 0.06 0.00 0.00 0.00 0.00 36.38 35.44 2wrl s VAL 51 CO 0.79 -0.70 1.11 -0.83 0.00 0.00 0.00 175.10 175.47 2wrl s GLY 52 N 1.62 1.61 0.03 4.51 0.00 -1.20 -4.22 107.32 109.67 2wrl s GLY 52 Ca 0.14 -0.34 0.07 0.00 0.00 0.00 0.00 44.72 44.59 2wrl s GLY 52 CO -0.13 0.10 -0.20 -0.29 0.00 0.00 0.00 173.10 172.58 2wrl s MET 53 N -5.28 1.40 0.00 2.90 1.75 -1.26 -2.78 119.30 116.03 2wrl s MET 53 Ca 0.61 -0.85 0.00 0.00 -1.25 0.00 0.00 55.69 54.20 2wrl s MET 53 Cb -0.13 -1.46 0.00 0.00 2.84 0.00 0.00 34.83 36.08 2wrl s MET 53 CO 0.53 0.38 0.00 0.41 -0.65 0.00 0.00 175.02 175.69 2wrl n GLY 54 N 2.08 2.87 0.41 2.11 0.00 -0.92 -4.96 105.19 106.78 2wrl n GLY 54 Ca -0.17 -2.14 -0.14 0.00 0.00 0.00 0.00 46.02 43.58 2wrl n GLY 54 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2wrl h ARG 55 N 0.00 -0.57 -1.58 1.61 3.08 -2.01 -2.32 114.38 112.58 2wrl h ARG 55 Ca 0.00 0.04 -0.10 0.00 0.07 0.00 0.00 59.98 59.99 2wrl h ARG 55 Cb 0.00 0.13 -0.05 0.00 0.08 0.00 0.00 29.97 30.13 2wrl h ARG 55 CO 0.00 -0.38 0.13 -0.40 -1.07 0.00 0.00 179.97 178.25 2wrl n ASP 56 N -5.01 4.93 0.00 7.04 3.85 -1.26 -4.80 116.55 121.31 2wrl n ASP 56 Ca -0.06 -2.51 0.00 0.00 -0.71 0.00 0.00 54.79 51.50 2wrl n ASP 56 Cb 0.34 -0.94 0.00 0.00 -1.35 0.00 0.00 41.12 39.17 2wrl n ASP 56 CO 0.00 0.00 0.00 0.49 -1.01 0.00 0.00 177.20 176.68 2wrl n PHE 57 N 0.85 0.00 -1.69 2.11 3.72 -0.87 -4.72 117.46 116.86 2wrl n PHE 57 Ca 0.10 0.00 -0.44 0.00 -0.05 0.00 0.00 57.45 57.06 2wrl n PHE 57 Cb 0.57 -1.75 -0.03 0.00 -0.94 0.00 0.00 39.48 37.33 2wrl n PHE 57 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 176.76 179.12 2wrl n THR 58 N -2.02 0.54 -3.95 4.37 -1.04 -1.26 -4.64 114.28 106.27 2wrl n THR 58 Ca 0.00 -0.14 -0.35 0.00 -2.04 0.00 0.00 64.05 61.52 2wrl n THR 58 Cb 0.31 -1.65 -0.08 0.00 -1.82 0.00 0.00 70.33 67.09 2wrl n THR 58 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 2wrl s LEU 59 N 0.38 4.02 0.32 -4.42 1.43 -0.43 -2.16 118.68 117.81 2wrl s LEU 59 Ca 0.72 0.21 0.06 0.00 -1.03 0.00 0.00 54.13 54.09 2wrl s LEU 59 Cb -0.61 -2.00 -0.03 0.00 0.03 0.00 0.00 46.19 43.57 2wrl s LEU 59 CO 0.44 0.25 0.25 0.72 0.23 0.00 0.00 176.35 178.24 2wrl s PHE 60 N -0.09 1.70 -0.14 0.29 -0.12 -1.12 0.19 117.98 118.68 2wrl s PHE 60 Ca 0.08 -1.62 -0.13 0.00 -0.05 0.00 0.00 56.93 55.21 2wrl s PHE 60 Cb -0.12 -0.72 -0.05 0.00 -0.63 0.00 0.00 43.02 41.50 2wrl s PHE 60 CO 0.01 -0.82 0.29 0.00 -0.05 0.00 0.00 175.22 174.65 2wrl s ALA 61 N -3.51 3.62 -0.28 1.99 0.00 -0.74 -3.27 121.76 119.57 2wrl s ALA 61 Ca 0.40 -0.45 0.23 0.00 0.00 0.00 0.00 51.96 52.13 2wrl s ALA 61 Cb 0.03 -2.35 0.03 0.00 0.00 0.00 0.00 23.12 20.83 2wrl s ALA 61 CO 0.25 0.17 1.07 1.28 0.00 0.00 0.00 175.76 178.53 2wrl n LEU 62 N 3.30 0.83 -4.29 0.00 4.77 -0.98 0.14 117.00 120.78 2wrl n LEU 62 Ca -0.13 0.31 -0.18 0.00 -0.03 0.00 0.00 56.01 55.99 2wrl n LEU 62 Cb 0.52 -0.07 -0.09 0.00 -2.33 0.00 0.00 43.42 41.45 2wrl n LEU 62 CO 0.39 -0.17 -0.18 0.68 -1.33 0.00 0.00 177.39 176.78 2wrl s VAL 63 N -3.34 0.16 -0.16 4.08 -7.23 -1.26 -4.79 120.40 107.85 2wrl s VAL 63 Ca 0.00 -2.00 -0.16 0.00 -1.81 0.00 0.00 61.98 58.01 2wrl s VAL 63 Cb 0.10 -2.50 -0.04 0.00 0.56 0.00 0.00 36.38 34.50 2wrl s VAL 63 CO 0.78 0.00 0.41 -1.81 -0.31 0.00 0.00 175.10 174.17 2wrl s ASP 64 N -3.33 6.54 0.00 4.85 1.11 -1.26 -2.66 116.67 121.92 2wrl s ASP 64 Ca 0.38 0.63 0.00 0.00 0.18 0.00 0.00 52.55 53.74 2wrl s ASP 64 Cb 0.05 -2.24 0.00 0.00 1.07 0.00 0.00 42.92 41.79 2wrl s ASP 64 CO 0.19 -0.01 0.00 0.61 1.18 0.00 0.00 175.17 177.15 2wrl n GLY 65 N 3.53 -0.95 2.91 0.21 0.00 -0.72 -4.32 105.19 105.84 2wrl n GLY 65 Ca -0.09 -0.07 -0.25 0.00 0.00 0.00 0.00 46.02 45.61 2wrl n GLY 65 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2wrl s VAL 66 N -4.00 0.88 0.56 1.61 1.01 -0.16 -0.46 120.40 119.84 2wrl s VAL 66 Ca 0.00 -0.24 -0.21 0.00 0.00 0.00 0.00 61.98 61.53 2wrl s VAL 66 Cb 0.00 -0.90 -0.04 0.00 0.00 0.00 0.00 36.38 35.44 2wrl s VAL 66 CO 0.00 0.33 1.31 0.52 0.00 0.00 0.00 175.10 177.26 2wrl n VAL 67 N 4.64 3.97 -3.65 2.92 0.31 -1.17 -1.81 118.33 123.55 2wrl n VAL 67 Ca -0.15 -0.50 -0.09 0.00 -0.01 0.00 0.00 64.34 63.59 2wrl n VAL 67 Cb 0.50 -1.58 -0.07 0.00 -0.91 0.00 0.00 33.84 31.78 2wrl n VAL 67 CO 0.00 0.00 0.00 -1.83 -1.32 0.00 0.00 176.83 173.68 2wrl s GLU 68 N -2.93 0.70 -0.14 5.55 -1.05 -0.97 -3.50 118.70 116.37 2wrl s GLU 68 Ca 0.74 1.12 -0.18 0.00 -0.15 0.00 0.00 54.97 56.50 2wrl s GLU 68 Cb -0.42 0.19 -0.04 0.00 -0.44 0.00 0.00 34.13 33.42 2wrl s GLU 68 CO 0.48 -0.14 0.46 -0.06 0.95 0.00 0.00 175.26 176.95 2wrl s PHE 69 N 1.30 3.48 -0.31 4.83 0.40 -1.26 -1.27 117.98 125.15 2wrl s PHE 69 Ca -0.07 0.83 0.01 0.00 -0.60 0.00 0.00 56.93 57.10 2wrl s PHE 69 Cb -0.05 -2.55 0.10 0.00 0.51 0.00 0.00 43.02 41.02 2wrl s PHE 69 CO -0.14 0.13 0.06 -1.14 0.70 0.00 0.00 175.22 174.83 2wrl s GLN 70 N 0.79 1.12 -0.16 0.44 0.74 -1.04 -5.02 119.66 116.54 2wrl s GLN 70 Ca 0.24 -1.39 -0.29 0.00 0.05 0.00 0.00 55.36 53.97 2wrl s GLN 70 Cb -0.15 -2.56 -0.02 0.00 1.10 0.00 0.00 33.01 31.38 2wrl s GLN 70 CO 0.09 -0.92 1.38 0.34 -0.55 0.00 0.00 175.29 175.63 2wrl s ASP 71 N 1.30 6.81 -0.16 6.67 -1.08 -1.26 -2.66 116.67 126.29 2wrl s ASP 71 Ca 0.09 1.77 0.16 0.00 -0.52 0.00 0.00 52.55 54.04 2wrl s ASP 71 Cb -0.18 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.30 2wrl s ASP 71 CO -0.16 -0.86 1.46 0.54 0.52 0.00 0.00 175.17 176.67 2wrl n ARG 72 N 6.87 3.26 0.00 4.34 1.74 -0.08 -5.01 116.66 127.78 2wrl n ARG 72 Ca 0.15 -2.79 0.00 0.00 -0.77 0.00 0.00 57.85 54.44 2wrl n ARG 72 Cb 0.45 -1.84 0.00 0.00 -1.02 0.00 0.00 32.46 30.05 2wrl n ARG 72 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2wrl n GLY 73 N -0.11 2.79 1.48 -0.13 0.00 -1.21 -2.32 105.19 105.69 2wrl n GLY 73 Ca 0.21 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.14 2wrl n GLY 73 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wrl n ARG 74 N 14.00 0.00 0.00 1.61 5.12 -1.26 0.17 116.66 136.30 2wrl n ARG 74 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 2wrl n ARG 74 Cb 0.00 -1.27 0.00 0.00 -1.16 0.00 0.00 32.46 30.03 2wrl n ARG 74 CO 0.00 0.00 0.00 -0.11 -1.93 0.00 0.00 177.63 175.59 2wrl n LEU 75 N 1.25 0.00 0.00 0.55 0.00 -0.98 -5.16 117.00 112.66 2wrl n LEU 75 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wrl n LEU 75 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.42 2wrl n LEU 75 CO 0.00 0.06 0.00 0.61 0.00 0.00 0.00 177.39 178.06 2wrl n GLY 76 N 0.00 0.97 2.78 -3.96 0.00 0.13 -4.91 105.19 100.20 2wrl n GLY 76 Ca 0.00 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.53 2wrl n GLY 76 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wrl s ARG 77 N -1.22 1.70 1.01 1.61 0.52 -1.26 -0.91 118.95 120.40 2wrl s ARG 77 Ca 0.00 -2.49 -0.14 0.00 -0.52 0.00 0.00 55.73 52.58 2wrl s ARG 77 Cb 0.00 -2.75 0.19 0.00 0.52 0.00 0.00 34.95 32.91 2wrl s ARG 77 CO 0.00 -1.20 1.12 0.71 0.02 0.00 0.00 175.30 175.95 2wrl s TYR 78 N -0.27 1.93 -0.19 -0.53 1.51 -1.09 -2.21 117.35 116.50 2wrl s TYR 78 Ca 0.21 0.81 -0.04 0.00 -1.01 0.00 0.00 57.07 57.03 2wrl s TYR 78 Cb -0.17 -3.39 0.09 0.00 -0.11 0.00 0.00 41.96 38.37 2wrl s TYR 78 CO -0.06 -2.89 0.21 0.08 -1.11 0.00 0.00 175.55 171.78 2wrl s VAL 79 N -3.14 -0.31 0.52 0.71 1.01 -0.67 -2.51 120.40 116.02 2wrl s VAL 79 Ca 0.66 -0.09 0.05 0.00 0.00 0.00 0.00 61.98 62.61 2wrl s VAL 79 Cb -0.15 -0.65 0.09 0.00 0.00 0.00 0.00 36.38 35.68 2wrl s VAL 79 CO 0.56 -0.18 0.72 1.41 0.00 0.00 0.00 175.10 177.60 2wrl n HIS 80 N 5.32 -2.65 -3.31 5.22 -0.00 -0.39 -0.96 115.22 118.45 2wrl n HIS 80 Ca -0.06 -1.63 -0.22 0.00 -0.00 0.00 0.00 57.72 55.82 2wrl n HIS 80 Cb 0.50 -0.51 -0.08 0.00 -0.00 0.00 0.00 29.99 29.89 2wrl n HIS 80 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 2wrl s VAL 81 N -2.16 -0.02 -0.20 1.59 1.01 -0.48 -2.29 120.40 117.84 2wrl s VAL 81 Ca 0.52 -1.91 -0.29 0.00 0.00 0.00 0.00 61.98 60.30 2wrl s VAL 81 Cb -0.04 -0.93 -0.04 0.00 0.00 0.00 0.00 36.38 35.37 2wrl s VAL 81 CO 0.33 -0.89 1.93 -0.60 0.00 0.00 0.00 175.10 175.87 2wrl s ARG 82 N 0.63 3.52 -0.15 2.72 3.52 -0.75 -4.66 118.95 123.77 2wrl s ARG 82 Ca 0.27 1.90 -0.29 0.00 -0.13 0.00 0.00 55.73 57.47 2wrl s ARG 82 Cb -0.05 -4.21 -0.03 0.00 -1.56 0.00 0.00 34.95 29.09 2wrl s ARG 82 CO -0.11 -1.65 1.48 -2.14 -0.81 0.00 0.00 175.30 172.08 2wrl s PRO 83 N 5.45 4.09 0.15 5.12 0.02 -1.26 -0.99 135.00 147.57 2wrl s PRO 83 Ca 0.86 1.81 -0.33 0.00 0.02 0.00 0.00 61.00 63.36 2wrl s PRO 83 Cb -0.30 -3.91 -0.17 0.00 0.02 0.00 0.00 34.50 30.14 2wrl s PRO 83 CO 0.34 -0.93 0.97 1.47 -0.33 0.00 0.00 177.00 178.52 2wrl n LEU 84 N 7.31 0.49 -0.51 -5.54 -0.00 -1.26 -4.93 117.00 112.55 2wrl n LEU 84 Ca 0.16 1.15 0.14 0.00 -0.00 0.00 0.00 56.01 57.46 2wrl n LEU 84 Cb 0.44 -1.09 0.50 0.00 -0.00 0.00 0.00 43.42 43.28 2wrl n LEU 84 CO 0.61 -1.88 0.86 0.00 -0.00 0.00 0.00 177.39 176.98