#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wdj s VAL 4 N 0.00 1.09 0.01 3.15 0.11 -1.26 -3.90 120.40 119.60 2wdj s VAL 4 Ca 0.00 -0.81 -0.30 0.00 -2.93 0.00 0.00 61.98 57.94 2wdj s VAL 4 Cb 0.00 -0.95 -0.06 0.00 -1.53 0.00 0.00 36.38 33.84 2wdj s VAL 4 CO 0.00 0.13 1.45 0.00 -3.33 0.00 0.00 175.10 173.36 2wdj h GLU 6 N 7.93 0.53 0.00 0.00 5.08 -1.70 0.90 114.58 127.32 2wdj h GLU 6 Ca -0.39 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 57.75 2wdj h GLU 6 Cb 1.18 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 30.41 2wdj h GLU 6 CO 0.91 0.77 -0.09 0.82 -1.00 0.00 0.00 179.01 180.42 2wdj h ILE 7 N 0.46 0.00 0.00 3.13 5.03 -1.93 -3.41 117.51 120.79 2wdj h ILE 7 Ca 0.06 -0.59 -0.11 0.00 -0.12 0.00 0.00 64.86 64.10 2wdj h ILE 7 Cb 0.74 0.00 -0.02 0.00 -3.03 0.00 0.00 36.82 34.51 2wdj h ILE 7 CO 0.06 0.00 -0.59 0.77 -0.68 0.00 0.00 178.15 177.70 2wdj h SER 8 N -0.59 0.00 -0.57 1.72 4.64 -1.97 -3.48 113.55 113.30 2wdj h SER 8 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 2wdj h SER 8 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 2wdj h SER 8 CO 0.00 0.50 -0.06 0.61 -0.87 0.00 0.00 176.83 177.00 2wdj n GLY 9 N 1.24 0.38 3.70 -0.77 0.00 0.31 -4.99 105.19 105.06 2wdj n GLY 9 Ca 0.01 -0.75 -0.42 0.00 0.00 0.00 0.00 46.02 44.86 2wdj n GLY 9 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj s LYS 10 N -4.32 4.49 0.17 1.61 1.02 -1.26 -4.73 119.74 116.72 2wdj s LYS 10 Ca 0.01 1.47 0.10 0.00 0.02 0.00 0.00 55.97 57.58 2wdj s LYS 10 Cb -0.01 -3.48 -0.04 0.00 -0.52 0.00 0.00 37.83 33.78 2wdj s LYS 10 CO 0.02 -0.19 -0.22 -0.98 -0.92 0.00 0.00 175.35 173.05 2wdj s ARG 11 N 1.43 1.41 0.26 1.68 1.70 -1.26 -2.27 118.95 121.90 2wdj s ARG 11 Ca 0.52 -1.45 -0.30 0.00 -0.47 0.00 0.00 55.73 54.03 2wdj s ARG 11 Cb -0.21 -1.67 -0.14 0.00 -0.57 0.00 0.00 34.95 32.36 2wdj s ARG 11 CO 0.24 0.36 1.13 -0.35 -1.08 0.00 0.00 175.30 175.60 2wdj n PRO 12 N 0.39 1.47 -4.13 3.89 -0.04 -1.25 -4.77 135.00 130.56 2wdj n PRO 12 Ca -0.14 0.52 -0.24 0.00 -0.04 0.00 0.00 63.50 63.60 2wdj n PRO 12 Cb 0.56 -1.98 -0.07 0.00 -0.04 0.00 0.00 33.50 31.97 2wdj n PRO 12 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 2wdj s ILE 13 N -0.70 2.63 -0.27 0.52 -4.36 0.29 -4.92 121.20 114.39 2wdj s ILE 13 Ca 0.63 -1.73 -0.06 0.00 -0.26 0.00 0.00 60.65 59.23 2wdj s ILE 13 Cb -0.72 -2.95 0.00 0.00 1.25 0.00 0.00 42.46 40.04 2wdj s ILE 13 CO 0.57 -0.10 0.04 -0.69 0.24 0.00 0.00 174.94 175.00 2wdj s VAL 14 N -2.52 3.81 0.19 8.37 1.01 -1.26 -0.96 120.40 129.05 2wdj s VAL 14 Ca 0.39 -0.61 0.02 0.00 0.00 0.00 0.00 61.98 61.79 2wdj s VAL 14 Cb 0.01 -2.90 -0.05 0.00 0.00 0.00 0.00 36.38 33.44 2wdj s VAL 14 CO 0.22 0.19 -0.00 0.00 0.00 0.00 0.00 175.10 175.51 2wdj s ALA 15 N 1.50 1.51 0.46 5.51 0.00 -1.07 -4.99 121.76 124.68 2wdj s ALA 15 Ca 0.03 -1.65 0.00 0.00 0.00 0.00 0.00 51.96 50.35 2wdj s ALA 15 Cb -0.16 0.52 0.05 0.00 0.00 0.00 0.00 23.12 23.53 2wdj s ALA 15 CO 0.01 -0.29 0.33 0.09 0.00 0.00 0.00 175.76 175.90 2wdj n ASN 16 N -0.30 0.49 -3.45 0.00 3.02 -1.26 -2.31 115.26 111.45 2wdj n ASN 16 Ca -0.06 -1.40 -0.29 0.00 -0.03 0.00 0.00 54.58 52.81 2wdj n ASN 16 Cb 0.63 -0.21 -0.12 0.00 -0.61 0.00 0.00 39.78 39.48 2wdj n ASN 16 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 2wdj s SER 17 N -2.35 2.61 -0.39 6.41 0.15 -0.21 -4.76 113.70 115.16 2wdj s SER 17 Ca 0.22 -2.39 -0.21 0.00 0.70 0.00 0.00 55.95 54.27 2wdj s SER 17 Cb -0.01 -0.41 0.01 0.00 -1.71 0.00 0.00 66.02 63.90 2wdj s SER 17 CO 0.15 -0.28 0.69 -0.63 1.20 0.00 0.00 173.24 174.37 2wdj s ILE 18 N 0.84 4.80 -0.27 6.45 1.01 -1.26 -2.55 121.20 130.21 2wdj s ILE 18 Ca 0.21 0.50 -0.18 0.00 0.00 0.00 0.00 60.65 61.18 2wdj s ILE 18 Cb -0.17 -4.18 -0.02 0.00 0.01 0.00 0.00 42.46 38.10 2wdj s ILE 18 CO -0.04 -0.48 0.52 -1.10 0.00 0.00 0.00 174.94 173.84 2wdj s GLN 19 N 2.92 4.02 0.21 2.79 -1.52 0.13 -4.99 119.66 123.22 2wdj s GLN 19 Ca 0.26 0.28 0.11 0.00 -1.95 0.00 0.00 55.36 54.06 2wdj s GLN 19 Cb -0.14 -3.67 -0.05 0.00 -0.22 0.00 0.00 33.01 28.94 2wdj s GLN 19 CO 0.18 -0.39 -0.20 1.03 -0.25 0.00 0.00 175.29 175.66 2wdj s ARG 20 N 2.34 1.66 0.04 2.91 0.52 -1.26 0.30 118.95 125.45 2wdj s ARG 20 Ca 0.21 -1.53 0.01 0.00 -0.52 0.00 0.00 55.73 53.90 2wdj s ARG 20 Cb -0.16 -1.89 -0.03 0.00 0.52 0.00 0.00 34.95 33.40 2wdj s ARG 20 CO 0.10 0.39 -0.05 1.03 0.02 0.00 0.00 175.30 176.79 2wdj s ARG 21 N -2.90 0.45 0.00 3.54 0.52 0.22 -4.87 118.95 115.90 2wdj s ARG 21 Ca 0.24 -0.79 0.00 0.00 -0.52 0.00 0.00 55.73 54.66 2wdj s ARG 21 Cb -0.07 -0.02 0.00 0.00 0.52 0.00 0.00 34.95 35.37 2wdj s ARG 21 CO 0.12 -0.03 0.00 0.41 0.02 0.00 0.00 175.30 175.83 2wdj n GLY 22 N 1.25 0.63 3.57 -3.53 0.00 -1.26 -0.72 105.19 105.14 2wdj n GLY 22 Ca -0.21 -1.28 -0.50 0.00 0.00 0.00 0.00 46.02 44.02 2wdj n GLY 22 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2wdj n LYS 23 N 2.27 1.10 -0.21 1.61 4.81 -1.26 -4.01 118.16 122.47 2wdj n LYS 23 Ca 0.00 0.39 -0.07 0.00 -0.87 0.00 0.00 58.31 57.76 2wdj n LYS 23 Cb 0.00 -1.91 0.07 0.00 0.02 0.00 0.00 35.03 33.21 2wdj n LYS 23 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2wdj n ALA 24 N 1.66 -1.17 -0.01 3.14 0.00 -1.26 -3.56 120.51 119.31 2wdj n ALA 24 Ca 0.16 -0.34 0.08 0.00 0.00 0.00 0.00 53.44 53.34 2wdj n ALA 24 Cb 0.23 -0.03 -0.13 0.00 0.00 0.00 0.00 19.45 19.52 2wdj n ALA 24 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 2wdj n LYS 25 N -1.21 0.52 0.03 0.00 4.81 -1.26 -2.96 118.16 118.09 2wdj n LYS 25 Ca 0.03 -0.15 0.09 0.00 -0.87 0.00 0.00 58.31 57.41 2wdj n LYS 25 Cb 0.13 -1.39 0.37 0.00 0.02 0.00 0.00 35.03 34.16 2wdj n LYS 25 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2wdj n ARG 26 N -2.09 0.05 0.00 1.64 0.63 -1.26 -4.53 116.66 111.10 2wdj n ARG 26 Ca -0.04 0.27 0.00 0.00 -0.92 0.00 0.00 57.85 57.16 2wdj n ARG 26 Cb 0.45 -1.59 0.00 0.00 0.45 0.00 0.00 32.46 31.77 2wdj n ARG 26 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2wdj n GLU 27 N -1.67 2.42 0.00 -0.14 1.02 -1.26 -5.06 120.64 115.95 2wdj n GLU 27 Ca 0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.18 2wdj n GLU 27 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.62 2wdj n GLU 27 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wdj n GLY 28 N 5.00 0.00 0.00 0.62 0.00 -1.26 -4.98 105.19 104.57 2wdj n GLY 28 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 2wdj n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wdj n GLY 29 N 0.00 0.82 2.15 -0.02 0.00 -1.16 -4.86 105.19 102.12 2wdj n GLY 29 Ca 0.00 -0.67 -0.03 0.00 0.00 0.00 0.00 46.02 45.32 2wdj n GLY 29 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2wdj n VAL 30 N 0.00 0.00 0.00 1.61 0.24 -1.26 -4.54 118.33 114.38 2wdj n VAL 30 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.30 2wdj n VAL 30 Cb 0.00 -0.55 0.00 0.00 -1.47 0.00 0.00 33.84 31.82 2wdj n VAL 30 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2wdj n GLY 31 N 0.21 0.29 3.95 7.63 0.00 -1.23 -4.80 105.19 111.24 2wdj n GLY 31 Ca -0.03 -0.32 -0.24 0.00 0.00 0.00 0.00 46.02 45.44 2wdj n GLY 31 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2wdj s LYS 32 N 0.00 3.47 0.01 1.61 1.02 -1.25 -4.17 119.74 120.42 2wdj s LYS 32 Ca 0.00 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.51 2wdj s LYS 32 Cb 0.00 -2.81 -0.01 0.00 -0.52 0.00 0.00 37.83 34.48 2wdj s LYS 32 CO 0.00 0.34 -0.14 0.15 -0.92 0.00 0.00 175.35 174.78 2wdj s LYS 33 N -3.88 1.06 -0.59 1.68 -0.14 0.10 -4.94 119.74 113.03 2wdj s LYS 33 Ca 0.37 -0.58 -0.22 0.00 -1.36 0.00 0.00 55.97 54.18 2wdj s LYS 33 Cb -0.10 -1.04 0.06 0.00 -1.68 0.00 0.00 37.83 35.07 2wdj s LYS 33 CO 0.31 0.28 0.87 0.99 -0.76 0.00 0.00 175.35 177.04 2wdj s THR 34 N -0.49 4.49 0.16 2.17 2.01 -1.26 -0.61 115.64 122.10 2wdj s THR 34 Ca 0.04 -0.25 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 2wdj s THR 34 Cb -0.06 -4.55 -0.04 0.00 0.01 0.00 0.00 72.50 67.86 2wdj s THR 34 CO 0.00 -1.20 1.49 0.00 -0.69 0.00 0.00 174.62 174.22 2wdj h THR 35 N 5.96 1.28 -2.72 -0.82 1.03 -0.50 -3.47 112.91 113.67 2wdj h THR 35 Ca -0.28 -1.59 0.07 0.00 -0.01 0.00 0.00 66.41 64.60 2wdj h THR 35 Cb 1.08 1.45 -0.10 0.00 -1.07 0.00 0.00 68.15 69.51 2wdj h THR 35 CO 1.11 0.52 0.33 -0.83 -0.01 0.00 0.00 175.52 176.64 2wdj s GLY 36 N -3.91 -0.38 -0.15 2.99 0.00 -1.07 -5.00 107.32 99.80 2wdj s GLY 36 Ca -0.10 0.32 -0.07 0.00 0.00 0.00 0.00 44.72 44.88 2wdj s GLY 36 CO 0.87 0.10 0.34 -0.42 0.00 0.00 0.00 173.10 173.99 2wdj s ILE 37 N -3.57 -0.29 0.01 0.90 1.01 -1.26 -0.70 121.20 117.30 2wdj s ILE 37 Ca 0.07 0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.88 2wdj s ILE 37 Cb -0.02 -0.53 -0.01 0.00 0.01 0.00 0.00 42.46 41.90 2wdj s ILE 37 CO -0.04 0.07 -0.00 -0.94 0.00 0.00 0.00 174.94 174.03 2wdj s SER 38 N 1.96 0.14 0.18 3.58 1.04 -1.06 -4.95 113.70 114.59 2wdj s SER 38 Ca -0.05 -0.31 -0.30 0.00 0.48 0.00 0.00 55.95 55.78 2wdj s SER 38 Cb -0.11 0.09 -0.08 0.00 0.10 0.00 0.00 66.02 66.03 2wdj s SER 38 CO -0.11 -0.21 1.10 -0.54 0.98 0.00 0.00 173.24 174.46 2wdj s LYS 39 N -1.00 4.59 0.24 4.02 3.01 -1.26 -1.05 119.74 128.29 2wdj s LYS 39 Ca -0.11 1.72 -0.07 0.00 -1.01 0.00 0.00 55.97 56.51 2wdj s LYS 39 Cb -0.07 -3.28 -0.02 0.00 -1.01 0.00 0.00 37.83 33.46 2wdj s LYS 39 CO -0.00 0.07 0.35 -0.98 0.51 0.00 0.00 175.35 175.29 2wdj s ARG 40 N -0.36 1.47 0.10 1.68 1.04 -0.98 -4.93 118.95 116.98 2wdj s ARG 40 Ca 0.50 -1.46 0.10 0.00 -1.04 0.00 0.00 55.73 53.82 2wdj s ARG 40 Cb -0.29 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 32.97 2wdj s ARG 40 CO 0.35 -0.57 -0.25 -0.98 -0.04 0.00 0.00 175.30 173.81 2wdj s ARG 41 N -3.95 1.38 -0.22 3.89 1.70 -1.26 -2.60 118.95 117.89 2wdj s ARG 41 Ca 0.30 -1.23 -0.08 0.00 -0.47 0.00 0.00 55.73 54.25 2wdj s ARG 41 Cb 0.02 -1.73 -0.04 0.00 -0.57 0.00 0.00 34.95 32.63 2wdj s ARG 41 CO 0.12 0.42 0.10 -0.65 -1.08 0.00 0.00 175.30 174.20 2wdj s GLN 42 N -1.82 3.92 -0.03 3.89 -0.21 -0.13 -4.93 119.66 120.34 2wdj s GLN 42 Ca 0.11 -0.36 -0.03 0.00 0.02 0.00 0.00 55.36 55.11 2wdj s GLN 42 Cb -0.10 -3.36 -0.04 0.00 1.00 0.00 0.00 33.01 30.52 2wdj s GLN 42 CO 0.05 0.07 0.12 0.71 -2.12 0.00 0.00 175.29 174.12 2wdj s TYR 43 N 0.96 3.43 0.38 0.91 4.12 -1.26 -0.55 117.35 125.34 2wdj s TYR 43 Ca 0.05 0.32 -0.26 0.00 0.02 0.00 0.00 57.07 57.20 2wdj s TYR 43 Cb -0.14 -1.81 -0.09 0.00 -1.52 0.00 0.00 41.96 38.40 2wdj s TYR 43 CO 0.03 0.61 1.26 -2.14 0.02 0.00 0.00 175.55 175.33 2wdj s PRO 44 N -1.60 4.09 -1.39 -1.71 0.02 -1.26 -4.88 135.00 128.28 2wdj s PRO 44 Ca 0.22 2.06 -0.15 0.00 0.02 0.00 0.00 61.00 63.15 2wdj s PRO 44 Cb -0.12 -2.81 0.03 0.00 0.02 0.00 0.00 34.50 31.61 2wdj s PRO 44 CO 0.13 -0.36 2.14 -1.71 -0.33 0.00 0.00 177.00 176.87 2wdj n ASN 45 N 0.29 3.91 -4.92 2.53 4.05 -1.26 -4.89 115.26 114.97 2wdj n ASN 45 Ca 0.03 -2.84 -0.29 0.00 0.45 0.00 0.00 54.58 51.93 2wdj n ASN 45 Cb 0.44 -1.63 -0.04 0.00 1.23 0.00 0.00 39.78 39.78 2wdj n ASN 45 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 177.26 172.73 2wdj s LEU 46 N 2.50 4.26 0.22 1.20 -0.00 -1.26 -1.50 118.68 124.10 2wdj s LEU 46 Ca 0.49 0.42 0.00 0.00 -0.00 0.00 0.00 54.13 55.04 2wdj s LEU 46 Cb 0.13 -3.17 -0.04 0.00 -0.00 0.00 0.00 46.19 43.11 2wdj s LEU 46 CO -0.05 0.02 0.13 -1.10 -0.00 0.00 0.00 176.35 175.35 2wdj s GLN 47 N -3.00 1.29 0.02 1.48 -1.52 0.50 -4.92 119.66 113.51 2wdj s GLN 47 Ca 0.38 -1.69 -0.22 0.00 -1.95 0.00 0.00 55.36 51.89 2wdj s GLN 47 Cb -0.12 0.13 -0.05 0.00 -0.22 0.00 0.00 33.01 32.75 2wdj s GLN 47 CO 0.28 -0.38 0.65 0.15 -0.25 0.00 0.00 175.29 175.73 2wdj s LYS 48 N -4.09 4.37 -0.49 2.91 3.01 -1.26 -1.39 119.74 122.80 2wdj s LYS 48 Ca 0.39 0.84 0.03 0.00 -1.01 0.00 0.00 55.97 56.21 2wdj s LYS 48 Cb 0.07 -3.34 0.14 0.00 -1.01 0.00 0.00 37.83 33.69 2wdj s LYS 48 CO 0.13 0.36 0.29 0.08 0.51 0.00 0.00 175.35 176.72 2wdj s VAL 49 N -0.21 1.73 0.31 3.17 1.01 -0.35 -4.96 120.40 121.09 2wdj s VAL 49 Ca 0.33 -2.94 -0.29 0.00 0.00 0.00 0.00 61.98 59.08 2wdj s VAL 49 Cb -0.19 -2.19 -0.10 0.00 0.00 0.00 0.00 36.38 33.90 2wdj s VAL 49 CO 0.19 -0.92 1.22 -0.13 0.00 0.00 0.00 175.10 175.46 2wdj s ARG 50 N -0.05 4.48 0.05 2.72 0.52 -1.26 -2.24 118.95 123.16 2wdj s ARG 50 Ca 0.20 2.04 -0.05 0.00 -0.52 0.00 0.00 55.73 57.40 2wdj s ARG 50 Cb -0.19 -3.12 -0.02 0.00 0.52 0.00 0.00 34.95 32.14 2wdj s ARG 50 CO -0.04 -0.02 0.08 0.54 0.02 0.00 0.00 175.30 175.88 2wdj s VAL 51 N -1.11 0.15 0.00 3.52 0.11 -1.10 -4.98 120.40 116.99 2wdj s VAL 51 Ca 0.47 -1.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.25 2wdj s VAL 51 Cb -0.36 -1.12 0.00 0.00 -1.53 0.00 0.00 36.38 33.37 2wdj s VAL 51 CO 0.48 -0.70 0.00 -2.11 -3.33 0.00 0.00 175.10 169.43 2wdj n ARG 52 N 0.46 0.00 -2.46 1.54 1.85 -1.26 -4.12 116.66 112.67 2wdj n ARG 52 Ca -0.17 0.00 -0.04 0.00 -1.00 0.00 0.00 57.85 56.64 2wdj n ARG 52 Cb 0.60 -0.17 -0.03 0.00 -1.05 0.00 0.00 32.46 31.81 2wdj n ARG 52 CO 0.00 0.00 0.00 0.28 -0.01 0.00 0.00 177.63 177.90 2wdj n VAL 53 N 0.00-12.50 -0.94 8.89 0.31 -1.26 -4.20 118.33 108.63 2wdj n VAL 53 Ca 0.00 2.74 0.00 0.00 -0.01 0.00 0.00 64.34 67.07 2wdj n VAL 53 Cb 0.00 -6.28 0.00 0.00 -0.91 0.00 0.00 33.84 26.65 2wdj n VAL 53 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2wdj n ALA 54 N 1.64 0.00 0.74 3.52 0.00 -1.26 -2.72 120.51 122.42 2wdj n ALA 54 Ca -0.31 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.21 2wdj n ALA 54 Cb 0.47 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.89 2wdj n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2wdj n GLY 55 N 0.00 -0.21 3.95 0.00 0.00 -1.26 -5.01 105.19 102.66 2wdj n GLY 55 Ca 0.00 -0.47 -0.23 0.00 0.00 0.00 0.00 46.02 45.32 2wdj n GLY 55 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2wdj s GLN 56 N -2.15 3.43 0.20 1.61 -1.52 -1.10 -5.03 119.66 115.09 2wdj s GLN 56 Ca 0.11 -0.43 0.18 0.00 -1.95 0.00 0.00 55.36 53.28 2wdj s GLN 56 Cb 0.13 -2.69 0.01 0.00 -0.22 0.00 0.00 33.01 30.24 2wdj s GLN 56 CO 0.51 0.14 1.13 1.49 -0.25 0.00 0.00 175.29 178.31 2wdj h GLU 57 N 0.77 0.00 0.00 2.91 4.81 -1.76 -3.38 114.58 117.93 2wdj h GLU 57 Ca -0.50 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.73 2wdj h GLU 57 Cb 1.22 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.60 2wdj h GLU 57 CO 0.61 0.24 0.00 1.51 -0.73 0.00 0.00 179.01 180.63 2wdj n ILE 58 N -2.95 0.00 -4.28 2.32 3.06 -1.26 -2.70 119.36 113.55 2wdj n ILE 58 Ca -0.03 0.00 -0.27 0.00 -2.50 0.00 0.00 62.75 59.96 2wdj n ILE 58 Cb 0.70 0.00 -0.09 0.00 0.54 0.00 0.00 39.64 40.79 2wdj n ILE 58 CO 0.00 0.00 0.00 0.42 -2.50 0.00 0.00 176.55 174.47 2wdj s THR 59 N 0.00 3.25 0.40 9.51 -4.23 -1.26 -3.07 115.64 120.23 2wdj s THR 59 Ca 0.00 -1.65 0.07 0.00 -1.18 0.00 0.00 61.69 58.93 2wdj s THR 59 Cb 0.00 -2.62 -0.07 0.00 1.34 0.00 0.00 72.50 71.16 2wdj s THR 59 CO 0.00 -0.12 0.07 -0.36 -0.54 0.00 0.00 174.62 173.67 2wdj s PHE 60 N -1.74 2.55 -0.38 3.99 0.08 -0.95 -4.93 117.98 116.60 2wdj s PHE 60 Ca 0.25 -0.61 0.01 0.00 0.12 0.00 0.00 56.93 56.71 2wdj s PHE 60 Cb -0.09 -1.80 0.12 0.00 -0.57 0.00 0.00 43.02 40.69 2wdj s PHE 60 CO 0.16 0.36 0.19 0.50 -0.10 0.00 0.00 175.22 176.32 2wdj s ARG 61 N -3.78 0.96 0.28 0.44 3.00 -1.26 -1.22 118.95 117.38 2wdj s ARG 61 Ca 0.37 -1.57 0.07 0.00 -1.00 0.00 0.00 55.73 53.60 2wdj s ARG 61 Cb 0.06 -2.03 -0.06 0.00 0.00 0.00 0.00 34.95 32.93 2wdj s ARG 61 CO 0.20 -1.11 -0.07 0.54 0.00 0.00 0.00 175.30 174.85 2wdj s VAL 62 N 0.90 1.76 0.05 7.11 0.11 -0.48 -1.71 120.40 128.14 2wdj s VAL 62 Ca 0.15 -2.15 -0.30 0.00 -2.93 0.00 0.00 61.98 56.75 2wdj s VAL 62 Cb -0.22 -2.45 -0.05 0.00 -1.53 0.00 0.00 36.38 32.13 2wdj s VAL 62 CO -0.08 -0.31 1.09 0.00 -3.33 0.00 0.00 175.10 172.48 2wdj s ALA 63 N -2.94 3.29 0.45 1.54 0.00 -1.26 -0.37 121.76 122.48 2wdj s ALA 63 Ca 0.30 0.71 0.28 0.00 0.00 0.00 0.00 51.96 53.24 2wdj s ALA 63 Cb 0.03 -3.39 1.34 0.00 0.00 0.00 0.00 23.12 21.10 2wdj s ALA 63 CO 0.12 -0.31 1.72 0.00 0.00 0.00 0.00 175.76 177.29 2wdj h ALA 64 N 6.59 2.67 0.00 0.00 0.00 -1.62 1.61 119.26 128.51 2wdj h ALA 64 Ca -0.42 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wdj h ALA 64 Cb 1.22 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2wdj h ALA 64 CO 0.78 -1.14 0.00 -1.13 0.00 0.00 0.00 179.25 177.75 2wdj n SER 65 N -4.51 0.00 0.00 0.00 3.41 -1.26 -2.28 113.62 108.98 2wdj n SER 65 Ca 0.30 -0.10 0.00 0.00 -0.26 0.00 0.00 58.87 58.81 2wdj n SER 65 Cb 1.19 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 65.14 2wdj n SER 65 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 2wdj n HIS 66 N -0.78 0.00 -0.33 7.33 -0.00 0.55 -4.88 115.22 117.11 2wdj n HIS 66 Ca 0.01 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.83 2wdj n HIS 66 Cb 0.00 0.02 0.28 0.00 -0.00 0.00 0.00 29.99 30.29 2wdj n HIS 66 CO 0.00 0.00 0.00 0.82 -0.00 0.00 0.00 176.34 177.16 2wdj h ILE 67 N 2.20 0.71 -0.80 1.59 2.04 -1.26 0.32 117.51 122.30 2wdj h ILE 67 Ca 0.00 -0.24 0.03 0.00 1.00 0.00 0.00 64.86 65.65 2wdj h ILE 67 Cb 0.80 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.79 2wdj h ILE 67 CO 0.00 0.13 0.53 1.55 0.00 0.00 0.00 178.15 180.36 2wdj h PRO 68 N 0.69 0.97 -0.11 2.37 0.13 -1.90 -1.31 132.00 132.85 2wdj h PRO 68 Ca 0.53 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.63 2wdj h PRO 68 Cb 0.79 -0.22 -0.00 0.00 0.13 0.00 0.00 31.00 31.70 2wdj h PRO 68 CO -0.38 0.64 0.19 -0.22 -0.23 0.00 0.00 178.00 178.00 2wdj h LYS 69 N 1.00 0.00 -0.04 0.86 1.63 -0.73 -0.97 116.57 118.32 2wdj h LYS 69 Ca 0.32 0.00 -0.03 0.00 -0.85 0.00 0.00 60.65 60.09 2wdj h LYS 69 Cb 0.02 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.65 2wdj h LYS 69 CO -0.09 0.00 -0.08 0.28 -3.45 0.00 0.00 179.45 176.11 2wdj h VAL 70 N 0.00 1.42 -0.39 2.00 2.07 -1.14 -3.02 116.25 117.19 2wdj h VAL 70 Ca 0.05 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.09 2wdj h VAL 70 Cb 0.42 2.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.41 2wdj h VAL 70 CO -0.00 0.37 -0.20 1.88 0.02 0.00 0.00 177.57 179.64 2wdj h TYR 71 N -0.37 0.95 -0.16 1.57 -1.99 -1.33 -2.43 116.97 113.21 2wdj h TYR 71 Ca 0.00 -0.24 0.05 0.00 2.00 0.00 0.00 58.73 60.54 2wdj h TYR 71 Cb 0.64 -0.22 -0.01 0.00 2.00 0.00 0.00 36.73 39.15 2wdj h TYR 71 CO 0.11 1.00 0.24 1.49 -0.00 0.00 0.00 178.16 181.00 2wdj h GLU 72 N 0.62 0.00 0.09 4.88 4.22 -1.30 -0.22 114.58 122.88 2wdj h GLU 72 Ca 0.08 0.00 -0.17 0.00 0.08 0.00 0.00 59.36 59.36 2wdj h GLU 72 Cb 0.76 0.00 0.01 0.00 0.50 0.00 0.00 28.75 30.01 2wdj h GLU 72 CO 0.06 0.00 -0.79 -0.07 -2.18 0.00 0.00 179.01 176.02 2wdj h LEU 73 N 0.00 0.30 -1.84 1.64 3.38 -1.33 -3.16 115.31 114.31 2wdj h LEU 73 Ca 0.07 -0.91 0.23 0.00 0.09 0.00 0.00 57.88 57.36 2wdj h LEU 73 Cb 0.55 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.15 2wdj h LEU 73 CO -0.00 1.36 0.59 0.58 0.09 0.00 0.00 178.44 181.06 2wdj h VAL 74 N -0.55 0.62 0.00 1.22 2.07 -0.64 0.44 116.25 119.40 2wdj h VAL 74 Ca -0.16 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.31 2wdj h VAL 74 Cb 1.50 0.47 0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2wdj h VAL 74 CO 0.07 0.02 0.00 1.21 0.02 0.00 0.00 177.57 178.89 2wdj n GLU 75 N -4.36 0.00 0.11 1.57 4.07 -0.35 -3.81 120.64 117.87 2wdj n GLU 75 Ca 0.18 0.06 0.04 0.00 -0.06 0.00 0.00 57.16 57.37 2wdj n GLU 75 Cb 0.83 -0.74 0.19 0.00 -0.06 0.00 0.00 31.44 31.65 2wdj n GLU 75 CO 0.00 0.00 0.00 2.89 -0.06 0.00 0.00 177.13 179.96 2wdj n ARG 76 N -0.67 0.05 -0.07 5.31 1.85 -1.12 -0.54 116.66 121.46 2wdj n ARG 76 Ca 0.00 0.45 0.10 0.00 -1.00 0.00 0.00 57.85 57.40 2wdj n ARG 76 Cb 0.00 -2.02 0.39 0.00 -1.05 0.00 0.00 32.46 29.78 2wdj n ARG 76 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2wdj n ALA 77 N -1.41 2.53 0.09 2.89 0.00 0.13 -3.89 120.51 120.85 2wdj n ALA 77 Ca -0.00 -0.47 -0.22 0.00 0.00 0.00 0.00 53.44 52.75 2wdj n ALA 77 Cb 0.37 -1.11 -0.15 0.00 0.00 0.00 0.00 19.45 18.57 2wdj n ALA 77 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 2wdj h LYS 78 N 1.93 0.43 -2.00 0.00 1.57 -0.94 -3.26 116.57 114.29 2wdj h LYS 78 Ca 0.00 -0.69 -0.00 0.00 -1.87 0.00 0.00 60.65 58.09 2wdj h LYS 78 Cb 0.42 0.25 -0.00 0.00 0.08 0.00 0.00 32.23 32.98 2wdj h LYS 78 CO 0.00 1.32 -0.00 0.41 -0.57 0.00 0.00 179.45 180.61 2wdj n GLY 79 N 1.61 2.07 2.76 3.86 0.00 -1.25 -4.61 105.19 109.63 2wdj n GLY 79 Ca -0.15 -0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.71 2wdj n GLY 79 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2wdj s LEU 80 N 0.00 0.96 -0.42 0.99 0.20 -1.23 -5.10 118.68 114.08 2wdj s LEU 80 Ca 0.00 0.04 -0.28 0.00 0.69 0.00 0.00 54.13 54.58 2wdj s LEU 80 Cb 0.00 -0.09 -0.02 0.00 -0.43 0.00 0.00 46.19 45.66 2wdj s LEU 80 CO 0.00 -0.14 1.76 -0.75 -0.29 0.00 0.00 176.35 176.93 2wdj s LYS 81 N 1.21 3.17 -0.02 1.98 2.20 -1.26 -4.95 119.74 122.06 2wdj s LYS 81 Ca -0.07 1.13 0.02 0.00 -0.36 0.00 0.00 55.97 56.68 2wdj s LYS 81 Cb -0.13 -4.23 0.01 0.00 -1.51 0.00 0.00 37.83 31.97 2wdj s LYS 81 CO -0.03 -2.06 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.33 2wdj s LEU 82 N 7.31 1.71 0.00 5.43 2.01 -1.26 -5.12 118.68 128.77 2wdj s LEU 82 Ca 0.74 -0.12 0.00 0.00 0.01 0.00 0.00 54.13 54.76 2wdj s LEU 82 Cb -0.18 -0.38 0.00 0.00 0.01 0.00 0.00 46.19 45.64 2wdj s LEU 82 CO 0.30 0.02 0.00 -1.84 1.01 0.00 0.00 176.35 175.84 2wdj n GLU 83 N 3.40 0.00 -2.15 1.70 -0.00 -1.26 -4.89 120.64 117.44 2wdj n GLU 83 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.97 2wdj n GLU 83 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.99 2wdj n GLU 83 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2wdj n GLY 84 N 0.00 -5.35 1.30 -1.84 0.00 -1.26 -4.32 105.19 93.72 2wdj n GLY 84 Ca 0.00 -0.15 -0.07 0.00 0.00 0.00 0.00 46.02 45.80 2wdj n GLY 84 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wdj n LEU 85 N 1.97 -0.59 -2.76 0.99 4.77 -1.26 -4.67 117.00 115.45 2wdj n LEU 85 Ca 0.00 -0.25 -0.09 0.00 -0.03 0.00 0.00 56.01 55.63 2wdj n LEU 85 Cb 0.00 -0.20 0.08 0.00 -2.33 0.00 0.00 43.42 40.96 2wdj n LEU 85 CO 0.00 -0.55 0.26 -1.54 -1.33 0.00 0.00 177.39 174.23 2wdj n SER 86 N 2.03 -1.09 -0.20 -1.43 3.41 -1.26 -4.97 113.62 110.10 2wdj n SER 86 Ca 0.22 -2.91 0.01 0.00 -0.26 0.00 0.00 58.87 55.92 2wdj n SER 86 Cb 0.07 0.79 0.09 0.00 -0.26 0.00 0.00 64.21 64.91 2wdj n SER 86 CO 0.00 0.00 0.00 1.55 -0.16 0.00 0.00 175.04 176.43 2wdj h PRO 87 N 2.58 0.09 0.77 4.33 0.13 -1.93 1.21 132.00 139.17 2wdj h PRO 87 Ca -0.15 -0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.93 2wdj h PRO 87 Cb 1.18 -0.02 0.01 0.00 0.13 0.00 0.00 31.00 32.30 2wdj h PRO 87 CO 0.16 0.06 -0.37 -0.22 -0.23 0.00 0.00 178.00 177.40 2wdj h LYS 88 N 0.10 -0.99 0.00 0.86 3.11 -1.98 -2.65 116.57 115.02 2wdj h LYS 88 Ca 0.32 0.07 0.00 0.00 -2.81 0.00 0.00 60.65 58.22 2wdj h LYS 88 Cb 0.51 0.23 0.00 0.00 -1.00 0.00 0.00 32.23 31.97 2wdj h LYS 88 CO -0.54 -0.66 0.36 0.93 -2.81 0.00 0.00 179.45 176.73 2wdj h GLU 89 N -1.18 0.00 0.08 1.90 5.08 -1.59 -1.38 114.58 117.49 2wdj h GLU 89 Ca -0.11 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.25 2wdj h GLU 89 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 2wdj h GLU 89 CO 0.17 0.00 -0.04 0.82 -1.00 0.00 0.00 179.01 178.97 2wdj h ILE 90 N 0.00 0.00 -0.22 3.13 1.08 0.18 -1.83 117.51 119.85 2wdj h ILE 90 Ca 0.00 -0.45 0.04 0.00 -0.39 0.00 0.00 64.86 64.06 2wdj h ILE 90 Cb 0.72 0.00 -0.07 0.00 -3.07 0.00 0.00 36.82 34.40 2wdj h ILE 90 CO 0.00 0.00 -0.48 0.50 -0.69 0.00 0.00 178.15 177.48 2wdj h LYS 91 N -0.56 -0.46 -0.21 2.37 3.64 -1.20 1.15 116.57 121.29 2wdj h LYS 91 Ca -0.01 0.03 0.02 0.00 -1.27 0.00 0.00 60.65 59.42 2wdj h LYS 91 Cb 0.08 0.11 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 2wdj h LYS 91 CO 0.02 -0.31 -0.12 1.17 -2.27 0.00 0.00 179.45 177.93 2wdj n LYS 92 N -5.43 -0.09 0.14 1.90 3.00 -0.58 0.23 118.16 117.33 2wdj n LYS 92 Ca -0.04 0.78 0.11 0.00 -0.00 0.00 0.00 58.31 59.16 2wdj n LYS 92 Cb 0.37 -1.17 0.51 0.00 0.00 0.00 0.00 35.03 34.74 2wdj n LYS 92 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2wdj n GLU 93 N -3.35 0.15 0.00 1.64 -0.58 0.45 -2.91 120.64 116.04 2wdj n GLU 93 Ca 0.00 0.54 0.00 0.00 -0.42 0.00 0.00 57.16 57.28 2wdj n GLU 93 Cb 0.05 -1.89 0.00 0.00 -0.57 0.00 0.00 31.44 29.03 2wdj n GLU 93 CO 0.00 0.00 0.00 -0.11 -0.48 0.00 0.00 177.13 176.54 2wdj n LEU 94 N -2.19 0.63 0.00 -4.62 7.94 0.62 -4.69 117.00 114.70 2wdj n LEU 94 Ca 0.00 -0.32 0.00 0.00 -1.11 0.00 0.00 56.01 54.59 2wdj n LEU 94 Cb 0.11 -0.32 0.00 0.00 0.53 0.00 0.00 43.42 43.74 2wdj n LEU 94 CO 0.13 0.16 0.00 -0.11 -1.11 0.00 0.00 177.39 176.46 2wdj n LEU 95 N 0.16 0.40 0.00 -1.96 7.94 -1.15 -5.01 117.00 117.38 2wdj n LEU 95 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2wdj n LEU 95 Cb 0.16 -1.15 0.00 0.00 0.53 0.00 0.00 43.42 42.95 2wdj n LEU 95 CO 0.00 -0.36 0.00 2.29 -1.11 0.00 0.00 177.39 178.21