#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj n PHE 12 N 0.00 2.27 0.16 5.58 1.16 -1.26 -4.87 117.46 120.50 2wdj n PHE 12 Ca 0.00 0.49 0.08 0.00 -1.87 0.00 0.00 57.45 56.15 2wdj n PHE 12 Cb 0.00 -2.44 0.08 0.00 -1.61 0.00 0.00 39.48 35.51 2wdj n PHE 12 CO 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 176.76 174.89 2wdj h ARG 13 N 3.33 0.00 0.00 3.97 -0.00 -2.07 -3.49 114.38 116.13 2wdj h ARG 13 Ca -0.46 0.00 0.00 0.00 -0.50 0.00 0.00 59.98 59.02 2wdj h ARG 13 Cb 1.28 0.00 0.00 0.00 0.00 0.00 0.00 29.97 31.25 2wdj h ARG 13 CO 0.69 0.18 0.00 0.28 0.00 0.00 0.00 179.97 181.12 2wdj n VAL 14 N -3.07 0.00 -2.41 2.04 0.31 -1.26 -4.84 118.33 109.10 2wdj n VAL 14 Ca 0.02 0.00 -0.11 0.00 -0.01 0.00 0.00 64.34 64.23 2wdj n VAL 14 Cb 0.62 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.55 2wdj n VAL 14 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2wdj n ARG 15 N 13.25 -2.25 0.16 5.55 5.12 -1.26 -4.73 116.66 132.49 2wdj n ARG 15 Ca 0.00 0.55 0.13 0.00 -1.93 0.00 0.00 57.85 56.60 2wdj n ARG 15 Cb 0.00 -5.13 0.57 0.00 -1.16 0.00 0.00 32.46 26.74 2wdj n ARG 15 CO 0.00 0.00 0.00 -0.91 -1.93 0.00 0.00 177.63 174.79 2wdj h ASN 16 N 0.00 0.00 0.00 0.55 4.21 -1.88 -3.36 115.58 115.09 2wdj h ASN 16 Ca -0.27 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.24 2wdj h ASN 16 Cb 1.18 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.38 2wdj h ASN 16 CO 0.32 0.00 0.00 -2.11 -1.29 0.00 0.00 177.43 174.35 2wdj n ARG 17 N -2.36 2.47 -2.47 0.81 1.85 -1.26 -4.47 116.66 111.23 2wdj n ARG 17 Ca 0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 57.85 56.85 2wdj n ARG 17 Cb 0.17 0.00 -0.00 0.00 -1.05 0.00 0.00 32.46 31.58 2wdj n ARG 17 CO 0.00 0.00 0.00 1.51 -0.01 0.00 0.00 177.63 179.13 2wdj n ILE 18 N 0.00 0.00 -2.09 8.89 0.00 -1.26 -4.42 119.36 120.48 2wdj n ILE 18 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 62.75 62.75 2wdj n ILE 18 Cb 0.00 -0.01 -0.01 0.00 0.00 0.00 0.00 39.64 39.62 2wdj n ILE 18 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 2wdj n LYS 19 N -2.45 0.00 -3.68 9.51 4.81 -1.26 -5.08 118.16 120.00 2wdj n LYS 19 Ca 0.00 -0.87 -0.37 0.00 -0.87 0.00 0.00 58.31 56.20 2wdj n LYS 19 Cb 0.48 -0.08 -0.12 0.00 0.02 0.00 0.00 35.03 35.33 2wdj n LYS 19 CO 0.00 0.00 0.00 1.03 1.17 0.00 0.00 177.40 179.60 2wdj s ARG 20 N 0.00 3.78 0.00 1.64 1.81 -1.26 -4.82 118.95 120.09 2wdj s ARG 20 Ca 0.06 -0.41 0.00 0.00 -1.72 0.00 0.00 55.73 53.66 2wdj s ARG 20 Cb 0.07 -3.48 0.00 0.00 -0.45 0.00 0.00 34.95 31.09 2wdj s ARG 20 CO -0.03 -0.19 0.00 2.41 -0.68 0.00 0.00 175.30 176.81 2wdj n THR 21 N 4.99 0.00 0.90 0.02 -1.04 -1.26 -4.77 114.28 113.12 2wdj n THR 21 Ca -0.15 0.00 0.01 0.00 -2.04 0.00 0.00 64.05 61.87 2wdj n THR 21 Cb 0.52 1.32 0.06 0.00 -1.82 0.00 0.00 70.33 70.41 2wdj n THR 21 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2wdj n GLY 22 N 0.00 1.24 0.83 3.41 0.00 -1.26 -5.00 105.19 104.41 2wdj n GLY 22 Ca 0.00 -0.15 0.06 0.00 0.00 0.00 0.00 46.02 45.93 2wdj n GLY 22 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj n ARG 23 N 0.05 -1.15 -2.59 1.61 1.74 -1.26 -4.75 116.66 110.30 2wdj n ARG 23 Ca 0.04 0.94 -0.04 0.00 -0.77 0.00 0.00 57.85 58.02 2wdj n ARG 23 Cb 0.34 -1.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.07 2wdj n ARG 23 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2wdj n LEU 24 N -3.44 -5.86 0.00 0.55 7.99 -1.26 -4.21 117.00 110.77 2wdj n LEU 24 Ca -0.03 2.24 0.00 0.00 -0.01 0.00 0.00 56.01 58.21 2wdj n LEU 24 Cb 0.25 -3.02 0.00 0.00 -0.11 0.00 0.00 43.42 40.54 2wdj n LEU 24 CO 0.01 -3.63 0.00 0.54 -1.51 0.00 0.00 177.39 172.80 2wdj n ARG 25 N 1.87 0.66 -2.68 3.23 1.74 0.13 -1.46 116.66 120.14 2wdj n ARG 25 Ca -0.28 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 56.75 2wdj n ARG 25 Cb 0.44 0.00 0.06 0.00 -1.02 0.00 0.00 32.46 31.94 2wdj n ARG 25 CO 0.00 0.00 0.00 -0.11 -1.52 0.00 0.00 177.63 176.00 2wdj n LEU 26 N 0.00 -1.45 -4.73 0.55 0.00 -0.98 -3.71 117.00 106.68 2wdj n LEU 26 Ca 0.00 -2.33 -0.35 0.00 0.00 0.00 0.00 56.01 53.32 2wdj n LEU 26 Cb 0.00 0.77 0.08 0.00 0.00 0.00 0.00 43.42 44.27 2wdj n LEU 26 CO 0.00 1.53 0.84 -0.55 0.00 0.00 0.00 177.39 179.21 2wdj s SER 27 N -0.50 4.47 0.21 1.96 0.15 -0.65 -3.50 113.70 115.84 2wdj s SER 27 Ca 0.14 2.45 0.06 0.00 0.70 0.00 0.00 55.95 59.30 2wdj s SER 27 Cb 0.22 -2.60 -0.05 0.00 -1.71 0.00 0.00 66.02 61.88 2wdj s SER 27 CO -0.09 -2.09 -0.11 -0.69 1.20 0.00 0.00 173.24 171.47 2wdj s VAL 28 N -1.74 1.52 -0.12 4.45 1.01 -1.26 -1.08 120.40 123.19 2wdj s VAL 28 Ca 0.77 -2.15 -0.02 0.00 0.00 0.00 0.00 61.98 60.58 2wdj s VAL 28 Cb -0.32 -2.10 0.04 0.00 0.00 0.00 0.00 36.38 34.01 2wdj s VAL 28 CO 0.42 -0.56 0.03 0.12 0.00 0.00 0.00 175.10 175.11 2wdj s PHE 29 N -3.10 0.61 -0.16 5.22 5.99 -1.24 -4.49 117.98 120.81 2wdj s PHE 29 Ca 0.23 -0.32 -0.16 0.00 0.00 0.00 0.00 56.93 56.68 2wdj s PHE 29 Cb 0.01 -0.80 -0.04 0.00 0.00 0.00 0.00 43.02 42.19 2wdj s PHE 29 CO 0.06 -0.41 0.40 0.50 -0.00 0.00 0.00 175.22 175.77 2wdj s ARG 30 N 1.99 4.26 0.10 10.12 6.06 -1.26 -2.39 118.95 137.82 2wdj s ARG 30 Ca 0.03 0.27 0.07 0.00 -2.50 0.00 0.00 55.73 53.59 2wdj s ARG 30 Cb -0.14 -3.47 -0.03 0.00 0.06 0.00 0.00 34.95 31.36 2wdj s ARG 30 CO -0.06 0.10 -0.18 0.45 -2.50 0.00 0.00 175.30 173.11 2wdj s SER 31 N 0.75 2.19 0.57 -2.12 0.15 -1.20 -4.96 113.70 109.08 2wdj s SER 31 Ca 0.21 -0.69 0.26 0.00 0.70 0.00 0.00 55.95 56.44 2wdj s SER 31 Cb -0.14 -0.10 1.54 0.00 -1.71 0.00 0.00 66.02 65.61 2wdj s SER 31 CO 0.08 -0.02 2.07 -0.07 1.20 0.00 0.00 173.24 176.50 2wdj h LEU 32 N 4.03 0.00 0.00 3.45 3.38 -2.06 -2.87 115.31 121.24 2wdj h LEU 32 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 2wdj h LEU 32 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 2wdj h LEU 32 CO 0.42 0.00 -0.11 0.29 0.09 0.00 0.00 178.44 179.12 2wdj n LYS 33 N -4.02 5.69 -0.13 1.13 4.76 -1.26 -5.10 118.16 119.24 2wdj n LYS 33 Ca 0.03 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 2wdj n LYS 33 Cb 0.38 -0.52 0.00 0.00 -1.84 0.00 0.00 35.03 33.05 2wdj n LYS 33 CO 0.00 0.00 0.00 0.72 -1.37 0.00 0.00 177.40 176.75 2wdj n HIS 34 N -0.98 0.00 0.00 2.13 8.25 -1.09 -4.77 115.22 118.77 2wdj n HIS 34 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2wdj n HIS 34 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 2wdj n HIS 34 CO 0.00 0.00 0.00 1.51 0.64 0.00 0.00 176.34 178.49 2wdj n ILE 35 N 0.00 0.00 -1.33 1.59 3.06 -1.25 -3.23 119.36 118.19 2wdj n ILE 35 Ca 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.25 2wdj n ILE 35 Cb 0.00 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.18 2wdj n ILE 35 CO 0.00 0.00 0.00 -1.22 -2.50 0.00 0.00 176.55 172.83 2wdj n TYR 36 N 0.00 -3.08 -3.58 9.51 4.02 -1.01 -2.35 117.16 120.68 2wdj n TYR 36 Ca 0.00 0.00 0.02 0.00 -0.01 0.00 0.00 57.90 57.91 2wdj n TYR 36 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.26 2wdj n TYR 36 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 2wdj s ALA 37 N -3.49 -2.67 0.16 -0.72 0.00 -1.26 -3.63 121.76 110.15 2wdj s ALA 37 Ca 0.00 2.00 0.10 0.00 0.00 0.00 0.00 51.96 54.06 2wdj s ALA 37 Cb 0.00 -1.98 -0.04 0.00 0.00 0.00 0.00 23.12 21.10 2wdj s ALA 37 CO 0.00 -0.43 -0.21 -0.65 0.00 0.00 0.00 175.76 174.46 2wdj s GLN 38 N 1.29 1.33 -0.37 0.00 -0.21 -0.24 -2.16 119.66 119.31 2wdj s GLN 38 Ca -0.07 -1.39 0.01 0.00 0.02 0.00 0.00 55.36 53.93 2wdj s GLN 38 Cb -0.02 -1.56 0.10 0.00 1.00 0.00 0.00 33.01 32.53 2wdj s GLN 38 CO -0.12 0.34 0.11 0.42 -2.12 0.00 0.00 175.29 173.92 2wdj s ILE 39 N -1.67 2.66 0.00 1.08 -1.09 -1.18 -1.63 121.20 119.37 2wdj s ILE 39 Ca 0.15 -2.23 -0.12 0.00 -2.23 0.00 0.00 60.65 56.22 2wdj s ILE 39 Cb -0.08 -2.90 -0.05 0.00 -1.58 0.00 0.00 42.46 37.85 2wdj s ILE 39 CO 0.07 -0.63 0.37 -0.63 -1.23 0.00 0.00 174.94 172.89 2wdj s ILE 40 N 0.99 5.11 -0.77 2.92 1.01 -1.24 -1.43 121.20 127.79 2wdj s ILE 40 Ca 0.10 0.66 0.03 0.00 0.00 0.00 0.00 60.65 61.43 2wdj s ILE 40 Cb -0.20 -3.66 0.20 0.00 0.01 0.00 0.00 42.46 38.81 2wdj s ILE 40 CO -0.07 0.51 0.65 -0.67 0.00 0.00 0.00 174.94 175.37 2wdj n ASP 41 N 1.61 3.61 -3.24 3.58 2.03 -1.19 0.17 116.55 123.13 2wdj n ASP 41 Ca -0.13 -3.23 -0.26 0.00 0.52 0.00 0.00 54.79 51.69 2wdj n ASP 41 Cb 0.53 -0.85 0.25 0.00 -0.72 0.00 0.00 41.12 40.33 2wdj n ASP 41 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2wdj n ASP 42 N 1.89 -3.90 0.00 1.67 9.92 -1.26 -1.49 116.55 123.38 2wdj n ASP 42 Ca 0.22 -0.76 0.00 0.00 -0.53 0.00 0.00 54.79 53.73 2wdj n ASP 42 Cb 0.36 -0.89 0.00 0.00 -0.64 0.00 0.00 41.12 39.95 2wdj n ASP 42 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 2wdj n GLU 43 N -4.92 -1.40 0.00 -1.24 -0.58 -1.26 -4.11 120.64 107.13 2wdj n GLU 43 Ca 0.12 0.35 0.00 0.00 -0.42 0.00 0.00 57.16 57.21 2wdj n GLU 43 Cb 0.52 -4.78 0.00 0.00 -0.57 0.00 0.00 31.44 26.60 2wdj n GLU 43 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2wdj n LYS 44 N 0.07 1.45 -1.00 3.49 4.81 -1.15 -5.07 118.16 120.76 2wdj n LYS 44 Ca 0.00 0.00 -0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdj n LYS 44 Cb 0.35 -0.15 -0.00 0.00 0.02 0.00 0.00 35.03 35.25 2wdj n LYS 44 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2wdj n GLY 45 N -0.04 0.26 0.00 3.14 0.00 -0.56 -5.03 105.19 102.97 2wdj n GLY 45 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 45 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 2wdj n VAL 46 N -2.52 0.00 -3.22 1.61 0.31 -1.19 -4.91 118.33 108.40 2wdj n VAL 46 Ca -0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 2wdj n VAL 46 Cb 0.24 -1.82 -0.02 0.00 -0.91 0.00 0.00 33.84 31.33 2wdj n VAL 46 CO 0.00 0.00 0.00 -0.89 -1.32 0.00 0.00 176.83 174.62 2wdj s THR 47 N -0.44 -0.85 0.08 2.52 2.01 -1.26 -3.14 115.64 114.56 2wdj s THR 47 Ca 0.00 -0.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.53 2wdj s THR 47 Cb 0.00 -0.67 -0.16 0.00 0.01 0.00 0.00 72.50 71.68 2wdj s THR 47 CO 0.00 -0.12 1.65 -0.07 -0.69 0.00 0.00 174.62 175.38 2wdj h LEU 48 N 7.65 -0.66-10.05 4.42 4.07 -1.61 -3.47 115.31 115.66 2wdj h LEU 48 Ca -0.00 0.04 -0.68 0.00 0.08 0.00 0.00 57.88 57.32 2wdj h LEU 48 Cb 1.16 0.19 -0.13 0.00 1.08 0.00 0.00 40.66 42.96 2wdj h LEU 48 CO 0.17 -0.43 -0.51 -0.69 -1.08 0.00 0.00 178.44 175.90 2wdj s VAL 49 N -6.07 1.18 -0.30 1.22 1.01 -1.25 -5.01 120.40 111.18 2wdj s VAL 49 Ca -0.17 -1.98 -0.17 0.00 0.00 0.00 0.00 61.98 59.67 2wdj s VAL 49 Cb 0.05 -2.16 0.19 0.00 0.00 0.00 0.00 36.38 34.46 2wdj s VAL 49 CO 0.63 0.00 1.19 -0.94 0.00 0.00 0.00 175.10 175.98 2wdj s SER 50 N -3.89 -0.18 -0.43 3.32 1.04 -1.26 -3.12 113.70 109.18 2wdj s SER 50 Ca 0.07 0.29 0.07 0.00 0.48 0.00 0.00 55.95 56.86 2wdj s SER 50 Cb 0.01 1.03 0.23 0.00 0.10 0.00 0.00 66.02 67.39 2wdj s SER 50 CO 0.04 -0.05 0.49 0.00 0.98 0.00 0.00 173.24 174.70 2wdj n ALA 51 N 3.17 2.71 -0.56 5.32 0.00 -0.92 -4.86 120.51 125.37 2wdj n ALA 51 Ca -0.17 -3.47 -0.30 0.00 0.00 0.00 0.00 53.44 49.50 2wdj n ALA 51 Cb 0.57 -0.81 0.20 0.00 0.00 0.00 0.00 19.45 19.41 2wdj n ALA 51 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.50 176.37 2wdj n SER 52 N 1.76 -2.48 0.00 0.00 3.41 -1.26 -4.04 113.62 111.00 2wdj n SER 52 Ca 0.24 -0.25 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2wdj n SER 52 Cb 0.50 -1.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.45 2wdj n SER 52 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2wdj n SER 53 N -2.80 0.00 -0.39 4.04 2.88 -0.99 -4.58 113.62 111.77 2wdj n SER 53 Ca 0.02 0.00 0.32 0.00 -1.33 0.00 0.00 58.87 57.88 2wdj n SER 53 Cb 0.57 0.00 0.52 0.00 -0.75 0.00 0.00 64.21 64.55 2wdj n SER 53 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 2wdj n LEU 54 N 0.00 0.10 -1.37 2.46 7.99 -1.26 0.63 117.00 125.55 2wdj n LEU 54 Ca 0.00 0.89 0.00 0.00 -0.01 0.00 0.00 56.01 56.89 2wdj n LEU 54 Cb 0.00 -0.44 0.00 0.00 -0.11 0.00 0.00 43.42 42.87 2wdj n LEU 54 CO 0.00 -0.95 0.62 0.00 -1.51 0.00 0.00 177.39 175.55 2wdj n ALA 55 N -2.58 2.97 0.00 -1.18 0.00 -1.26 -1.31 120.51 117.14 2wdj n ALA 55 Ca 0.30 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.74 2wdj n ALA 55 Cb 1.23 -1.14 0.00 0.00 0.00 0.00 0.00 19.45 19.54 2wdj n ALA 55 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 2wdj n LEU 56 N 1.21 0.00 0.00 0.00 0.00 0.20 -4.83 117.00 113.59 2wdj n LEU 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.01 2wdj n LEU 56 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.81 2wdj n LEU 56 CO 0.00 -0.03 0.00 1.17 0.00 0.00 0.00 177.39 178.53 2wdj n LYS 57 N -1.56 0.00 -0.30 1.96 4.81 -0.43 -5.11 118.16 117.53 2wdj n LYS 57 Ca 0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2wdj n LYS 57 Cb 0.00 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.05 2wdj n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2wdj n LEU 58 N 0.00 0.00 0.00 3.14 4.32 -1.26 -4.50 117.00 118.70 2wdj n LEU 58 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wdj n LEU 58 Cb 0.00 -0.90 0.00 0.00 -1.62 0.00 0.00 43.42 40.90 2wdj n LEU 58 CO 0.00 0.00 0.00 0.29 -1.22 0.00 0.00 177.39 176.46 2wdj n LYS 59 N -1.66 2.56 -0.97 3.23 5.02 -1.26 -4.87 118.16 120.21 2wdj n LYS 59 Ca 0.00 0.00 -0.00 0.00 -2.02 0.00 0.00 58.31 56.29 2wdj n LYS 59 Cb 0.07 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.07 2wdj n LYS 59 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2wdj n GLY 60 N 0.00 0.76 0.00 0.72 0.00 -1.26 -4.93 105.19 100.48 2wdj n GLY 60 Ca 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 46.02 45.72 2wdj n GLY 60 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2wdj n ASN 61 N 0.18 0.00 0.00 1.61 4.05 -1.26 -5.08 115.26 114.76 2wdj n ASN 61 Ca -0.04 0.08 0.00 0.00 0.45 0.00 0.00 54.58 55.06 2wdj n ASN 61 Cb 0.83 0.00 0.00 0.00 1.23 0.00 0.00 39.78 41.84 2wdj n ASN 61 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 177.26 174.50 2wdj n LYS 62 N -0.43 0.00 0.16 1.20 4.76 -1.26 -4.94 118.16 117.65 2wdj n LYS 62 Ca 0.00 0.00 -0.14 0.00 -2.87 0.00 0.00 58.31 55.30 2wdj n LYS 62 Cb 0.00 0.00 -0.07 0.00 -1.84 0.00 0.00 35.03 33.12 2wdj n LYS 62 CO 0.00 0.00 0.00 1.79 -1.37 0.00 0.00 177.40 177.82 2wdj h THR 63 N 0.00 0.29 -0.89 -0.18 1.35 -1.96 -0.54 112.91 110.97 2wdj h THR 63 Ca 0.00 0.00 0.26 0.00 -0.55 0.00 0.00 66.41 66.12 2wdj h THR 63 Cb 0.00 0.29 -0.04 0.00 -1.73 0.00 0.00 68.15 66.67 2wdj h THR 63 CO 0.00 0.00 0.68 -0.08 -0.25 0.00 0.00 175.52 175.87 2wdj h GLU 64 N -0.63 0.00 -0.32 4.72 4.81 -1.95 0.99 114.58 122.19 2wdj h GLU 64 Ca 0.01 0.00 -0.13 0.00 -0.13 0.00 0.00 59.36 59.11 2wdj h GLU 64 Cb 0.62 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.99 2wdj h GLU 64 CO -0.14 0.00 -0.32 0.28 -0.73 0.00 0.00 179.01 178.11 2wdj h VAL 65 N 0.00 1.28 -0.97 0.32 2.07 -1.49 -2.95 116.25 114.51 2wdj h VAL 65 Ca 0.42 -1.45 0.06 0.00 0.82 0.00 0.00 66.70 66.55 2wdj h VAL 65 Cb 1.77 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 2wdj h VAL 65 CO -0.00 0.47 0.63 0.00 0.02 0.00 0.00 177.57 178.69 2wdj h ALA 66 N 1.06 1.42 0.59 1.67 0.00 0.16 -0.23 119.26 123.93 2wdj h ALA 66 Ca 0.07 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.92 2wdj h ALA 66 Cb 0.83 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.30 2wdj h ALA 66 CO 0.07 0.45 -0.39 0.00 0.00 0.00 0.00 179.25 179.37 2wdj h ARG 67 N 1.16 -0.90 0.06 0.00 2.47 -1.40 -1.12 114.38 114.65 2wdj h ARG 67 Ca 0.41 0.06 0.03 0.00 -1.26 0.00 0.00 59.98 59.22 2wdj h ARG 67 Cb 0.13 0.20 -0.04 0.00 -1.65 0.00 0.00 29.97 28.62 2wdj h ARG 67 CO -0.15 -0.60 -0.30 1.96 0.56 0.00 0.00 179.97 181.44 2wdj h GLN 68 N -0.93 -0.46 0.00 0.04 4.20 -1.51 0.27 115.11 116.71 2wdj h GLN 68 Ca -0.08 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2wdj h GLN 68 Cb 0.75 0.11 0.00 0.00 0.30 0.00 0.00 27.48 28.64 2wdj h GLN 68 CO 0.06 -0.31 0.25 -0.24 -0.67 0.00 0.00 178.83 177.92 2wdj h VAL 69 N -0.48 0.00 0.12 -0.54 3.04 -1.05 0.15 116.25 117.49 2wdj h VAL 69 Ca 0.05 0.00 -0.01 0.00 -1.01 0.00 0.00 66.70 65.73 2wdj h VAL 69 Cb 0.54 0.69 0.00 0.00 -2.01 0.00 0.00 31.29 30.51 2wdj h VAL 69 CO -0.21 0.00 -0.06 1.23 -1.01 0.00 0.00 177.57 177.52 2wdj h GLY 70 N 0.00 -0.17 0.11 3.17 0.00 0.81 -2.50 103.07 104.48 2wdj h GLY 70 Ca 0.00 0.06 0.21 0.00 0.00 0.00 0.00 47.33 47.61 2wdj h GLY 70 CO 0.00 -0.06 0.74 3.21 0.00 0.00 0.00 176.54 180.43 2wdj h ARG 71 N -0.57 0.00 0.00 4.80 3.08 -0.16 0.76 114.38 122.29 2wdj h ARG 71 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2wdj h ARG 71 Cb 0.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.18 2wdj h ARG 71 CO 0.03 0.00 0.00 0.00 -1.07 0.00 0.00 179.97 178.93 2wdj n ALA 72 N -2.38 -0.35 -0.33 0.04 0.00 0.42 -1.25 120.51 116.66 2wdj n ALA 72 Ca 0.15 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.74 2wdj n ALA 72 Cb 1.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 20.81 2wdj n ALA 72 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2wdj h LEU 73 N 0.00 0.70 0.00 0.00 6.46 -0.83 -2.70 115.31 118.95 2wdj h LEU 73 Ca 0.00 0.08 0.00 0.00 -0.12 0.00 0.00 57.88 57.84 2wdj h LEU 73 Cb 0.00 -0.04 0.00 0.00 -0.73 0.00 0.00 40.66 39.89 2wdj h LEU 73 CO 0.00 0.25 0.00 0.00 -0.62 0.00 0.00 178.44 178.07 2wdj n ALA 74 N -2.37 0.00 -0.09 1.25 0.00 0.16 -0.34 120.51 119.11 2wdj n ALA 74 Ca 0.23 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.67 2wdj n ALA 74 Cb 0.61 0.08 0.00 0.00 0.00 0.00 0.00 19.45 20.14 2wdj n ALA 74 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdj n GLU 75 N -0.41 0.00 -0.25 0.00 1.02 -0.38 -0.48 120.64 120.14 2wdj n GLU 75 Ca 0.00 0.59 -0.04 0.00 -0.02 0.00 0.00 57.16 57.69 2wdj n GLU 75 Cb 0.00 -0.91 -0.03 0.00 -0.02 0.00 0.00 31.44 30.48 2wdj n GLU 75 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2wdj n LYS 76 N -2.37 -0.22 0.00 3.49 5.02 -1.04 -1.43 118.16 121.62 2wdj n LYS 76 Ca 0.00 0.94 0.00 0.00 -2.02 0.00 0.00 58.31 57.23 2wdj n LYS 76 Cb 0.00 -1.39 0.00 0.00 -0.02 0.00 0.00 35.03 33.62 2wdj n LYS 76 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2wdj n ALA 77 N -3.59 -0.20 0.00 7.82 0.00 0.54 -3.66 120.51 121.41 2wdj n ALA 77 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.47 2wdj n ALA 77 Cb 0.20 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.77 2wdj n ALA 77 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdj n LEU 78 N -1.63 0.00 -0.39 0.00 4.77 -0.51 0.65 117.00 119.89 2wdj n LEU 78 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2wdj n LEU 78 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2wdj n LEU 78 CO 0.00 0.00 0.02 0.00 -1.33 0.00 0.00 177.39 176.08 2wdj n ALA 79 N -2.21 1.22 -0.02 -1.18 0.00 -1.20 -2.19 120.51 114.93 2wdj n ALA 79 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 2wdj n ALA 79 Cb 0.00 -1.00 -0.04 0.00 0.00 0.00 0.00 19.45 18.41 2wdj n ALA 79 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 2wdj n LEU 80 N 0.24 0.00 0.00 0.00 4.32 0.21 -4.99 117.00 116.78 2wdj n LEU 80 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2wdj n LEU 80 Cb 0.02 0.08 0.00 0.00 -1.62 0.00 0.00 43.42 41.90 2wdj n LEU 80 CO 0.00 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 176.86 2wdj n GLY 81 N 2.55 0.85 3.92 -0.72 0.00 -0.93 -5.14 105.19 105.72 2wdj n GLY 81 Ca -0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.66 2wdj n GLY 81 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wdj s ILE 82 N -1.13 5.30 0.00 -0.61 -1.09 -1.23 -4.86 121.20 117.58 2wdj s ILE 82 Ca 0.00 -0.34 0.00 0.00 -2.23 0.00 0.00 60.65 58.08 2wdj s ILE 82 Cb 0.00 -3.66 0.00 0.00 -1.58 0.00 0.00 42.46 37.22 2wdj s ILE 82 CO 0.00 0.03 0.00 1.17 -1.23 0.00 0.00 174.94 174.91 2wdj n LYS 83 N -0.04 0.00 -3.92 2.79 4.81 -1.26 -4.31 118.16 116.24 2wdj n LYS 83 Ca -0.05 0.00 -0.35 0.00 -0.87 0.00 0.00 58.31 57.04 2wdj n LYS 83 Cb 0.52 0.00 -0.14 0.00 0.02 0.00 0.00 35.03 35.43 2wdj n LYS 83 CO 0.00 0.00 0.00 -1.14 1.17 0.00 0.00 177.40 177.43 2wdj s GLN 84 N 0.00 3.15 0.00 1.64 2.00 -1.26 0.87 119.66 126.06 2wdj s GLN 84 Ca 0.00 -0.77 0.00 0.00 -2.00 0.00 0.00 55.36 52.59 2wdj s GLN 84 Cb 0.00 -3.02 0.00 0.00 0.80 0.00 0.00 33.01 30.79 2wdj s GLN 84 CO 0.00 -0.29 0.00 1.33 -0.50 0.00 0.00 175.29 175.83 2wdj n VAL 85 N 4.75 0.00 -3.55 1.34 0.24 -1.26 -4.90 118.33 114.96 2wdj n VAL 85 Ca -0.17 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.13 2wdj n VAL 85 Cb 0.49 0.00 -0.06 0.00 -1.47 0.00 0.00 33.84 32.81 2wdj n VAL 85 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2wdj s ALA 86 N -1.38 -2.57 0.85 2.33 0.00 -0.54 -4.90 121.76 115.54 2wdj s ALA 86 Ca 0.00 2.08 0.00 0.00 0.00 0.00 0.00 51.96 54.04 2wdj s ALA 86 Cb 0.00 -1.91 0.00 0.00 0.00 0.00 0.00 23.12 21.21 2wdj s ALA 86 CO 0.00 -0.54 0.00 0.34 0.00 0.00 0.00 175.76 175.56 2wdj n PHE 87 N 3.93 -0.78 0.00 0.00 7.35 -1.26 -2.32 117.46 124.38 2wdj n PHE 87 Ca -0.15 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.54 2wdj n PHE 87 Cb 0.56 0.00 0.00 0.00 0.35 0.00 0.00 39.48 40.39 2wdj n PHE 87 CO 0.00 0.00 0.00 -3.47 -0.76 0.00 0.00 176.76 172.53 2wdj n ASP 88 N 0.00 0.00 -2.13 -2.13 4.64 -1.23 -3.92 116.55 111.78 2wdj n ASP 88 Ca 0.00 0.00 -0.01 0.00 -1.38 0.00 0.00 54.79 53.40 2wdj n ASP 88 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 41.12 40.07 2wdj n ASP 88 CO 0.00 0.00 0.00 -1.14 -0.82 0.00 0.00 177.20 175.24 2wdj n ARG 89 N 0.00 -3.84 0.00 -0.67 0.00 -1.26 -4.80 116.66 106.09 2wdj n ARG 89 Ca 0.00 2.93 0.00 0.00 -0.00 0.00 0.00 57.85 60.78 2wdj n ARG 89 Cb 0.00 -3.86 0.00 0.00 0.00 0.00 0.00 32.46 28.60 2wdj n ARG 89 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 2wdj n GLY 90 N 1.37 -1.13 1.99 5.14 0.00 -1.26 -3.05 105.19 108.25 2wdj n GLY 90 Ca -0.11 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 45.91 2wdj n GLY 90 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2wdj n PRO 91 N 0.00 0.10 0.00 1.61 -0.04 -1.26 -4.53 135.00 130.89 2wdj n PRO 91 Ca 0.00 -0.01 0.00 0.00 -0.04 0.00 0.00 63.50 63.45 2wdj n PRO 91 Cb 0.00 -1.46 0.00 0.00 -0.04 0.00 0.00 33.50 32.00 2wdj n PRO 91 CO 0.00 0.00 0.00 2.48 -0.04 0.00 0.00 175.50 177.94 2wdj n TYR 92 N 2.04 0.00 -1.48 0.54 4.11 -1.17 -4.97 117.16 116.23 2wdj n TYR 92 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 2wdj n TYR 92 Cb 0.05 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.39 2wdj n TYR 92 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 2wdj n LYS 93 N -0.50 0.00 -0.18 -3.48 3.00 -1.26 -4.71 118.16 111.03 2wdj n LYS 93 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 2wdj n LYS 93 Cb 0.00 -1.50 -0.02 0.00 0.00 0.00 0.00 35.03 33.50 2wdj n LYS 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.40 178.38 2wdj n TYR 94 N -1.42 0.00 -3.83 5.64 9.36 -1.26 -4.71 117.16 120.95 2wdj n TYR 94 Ca 0.00 0.00 -0.05 0.00 3.32 0.00 0.00 57.90 61.17 2wdj n TYR 94 Cb 0.48 -0.06 0.01 0.00 -0.63 0.00 0.00 39.34 39.14 2wdj n TYR 94 CO 0.00 0.00 0.00 -1.58 0.22 0.00 0.00 176.86 175.50 2wdj s HIS 95 N 0.00 0.02 0.00 2.98 2.46 -1.26 -5.02 115.29 114.47 2wdj s HIS 95 Ca 0.14 -0.47 0.00 0.00 0.47 0.00 0.00 55.06 55.20 2wdj s HIS 95 Cb -0.09 0.72 0.00 0.00 -0.13 0.00 0.00 32.58 33.08 2wdj s HIS 95 CO 0.06 -1.09 0.00 0.41 -2.47 0.00 0.00 174.74 171.65 2wdj n GLY 96 N -0.58 1.07 0.38 1.59 0.00 -1.26 -2.49 105.19 103.90 2wdj n GLY 96 Ca -0.05 0.73 0.00 0.00 0.00 0.00 0.00 46.02 46.70 2wdj n GLY 96 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2wdj n ARG 97 N 0.00 0.00 -1.32 1.61 -4.01 -1.26 -4.81 116.66 106.86 2wdj n ARG 97 Ca 0.00 0.00 -0.59 0.00 -1.04 0.00 0.00 57.85 56.22 2wdj n ARG 97 Cb 0.00 -0.83 -0.11 0.00 -3.04 0.00 0.00 32.46 28.48 2wdj n ARG 97 CO 0.00 0.00 0.00 1.55 -3.04 0.00 0.00 177.63 176.14 2wdj n VAL 98 N 0.14 0.00 1.07 8.89 3.14 -1.04 -4.75 118.33 125.78 2wdj n VAL 98 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2wdj n VAL 98 Cb 0.00 -0.47 0.00 0.00 -1.06 0.00 0.00 33.84 32.31 2wdj n VAL 98 CO 0.00 0.00 0.00 0.29 -6.46 0.00 0.00 176.83 170.66 2wdj n LYS 99 N 5.96 0.99 -1.19 1.45 4.76 -1.26 -4.51 118.16 124.36 2wdj n LYS 99 Ca 0.44 0.00 -0.10 0.00 -2.87 0.00 0.00 58.31 55.78 2wdj n LYS 99 Cb -0.04 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.58 2wdj n LYS 99 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2wdj n ALA 100 N -0.03 0.78 -2.81 7.82 0.00 -1.26 -4.80 120.51 120.21 2wdj n ALA 100 Ca 0.00 -0.87 -0.36 0.00 0.00 0.00 0.00 53.44 52.21 2wdj n ALA 100 Cb 0.23 -1.37 -0.07 0.00 0.00 0.00 0.00 19.45 18.23 2wdj n ALA 100 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.50 177.02 2wdj s LEU 101 N 0.00 4.08 0.00 0.00 -0.00 -1.26 -4.95 118.68 116.55 2wdj s LEU 101 Ca 0.62 0.33 0.00 0.00 -0.00 0.00 0.00 54.13 55.09 2wdj s LEU 101 Cb -0.40 -2.00 0.00 0.00 -0.00 0.00 0.00 46.19 43.79 2wdj s LEU 101 CO 0.27 0.39 0.09 0.00 -0.00 0.00 0.00 176.35 177.10 2wdj n ALA 102 N 1.97 0.00 0.00 1.48 0.00 -1.26 -4.28 120.51 118.42 2wdj n ALA 102 Ca -0.19 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2wdj n ALA 102 Cb 0.54 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.99 2wdj n ALA 102 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2wdj n GLU 103 N -0.10 0.00 -1.54 0.00 -0.58 -1.26 -4.25 120.64 112.91 2wdj n GLU 103 Ca 0.00 0.00 -0.19 0.00 -0.42 0.00 0.00 57.16 56.55 2wdj n GLU 103 Cb 0.00 0.00 -0.13 0.00 -0.57 0.00 0.00 31.44 30.74 2wdj n GLU 103 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2wdj n GLY 104 N -0.86 -0.26 0.95 0.62 0.00 -1.26 -4.74 105.19 99.64 2wdj n GLY 104 Ca 0.00 0.26 0.00 0.00 0.00 0.00 0.00 46.02 46.28 2wdj n GLY 104 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wdj n ALA 105 N 13.79 2.29 1.46 4.61 0.00 -1.16 -3.31 120.51 138.19 2wdj n ALA 105 Ca 0.54 0.00 0.14 0.00 0.00 0.00 0.00 53.44 54.13 2wdj n ALA 105 Cb 0.32 -1.00 0.62 0.00 0.00 0.00 0.00 19.45 19.39 2wdj n ALA 105 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2wdj n ARG 106 N 0.55 0.82 -0.73 0.00 0.00 0.25 -4.50 116.66 113.05 2wdj n ARG 106 Ca 0.00 -0.29 0.09 0.00 -0.00 0.00 0.00 57.85 57.65 2wdj n ARG 106 Cb 0.38 -1.49 -0.03 0.00 0.00 0.00 0.00 32.46 31.31 2wdj n ARG 106 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2wdj n GLU 107 N -0.83 -1.57 0.00 -0.14 4.07 -1.21 -4.64 120.64 116.31 2wdj n GLU 107 Ca 0.16 1.16 0.00 0.00 -0.06 0.00 0.00 57.16 58.41 2wdj n GLU 107 Cb 0.27 -1.88 0.00 0.00 -0.06 0.00 0.00 31.44 29.77 2wdj n GLU 107 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2wdj n GLY 108 N -3.31 2.94 0.00 8.31 0.00 -1.26 -4.88 105.19 106.99 2wdj n GLY 108 Ca -0.02 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2wdj n GLY 108 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93