#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj s ALA 2 N 0.00 3.73 -0.15 0.62 0.00 -1.26 -4.87 121.76 119.83 2ddj s ALA 2 Ca 0.00 -1.76 0.20 0.00 0.00 0.00 0.00 51.96 50.40 2ddj s ALA 2 Cb 0.00 -1.98 0.41 0.00 0.00 0.00 0.00 23.12 21.55 2ddj s ALA 2 CO 0.00 -1.47 1.61 0.93 0.00 0.00 0.00 175.76 176.83 2ddj h GLU 3 N -0.53 0.00 -6.17 0.00 3.07 -1.94 -3.47 114.58 105.54 2ddj h GLU 3 Ca -0.36 0.00 -0.51 0.00 -0.50 0.00 0.00 59.36 57.99 2ddj h GLU 3 Cb 1.27 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 2ddj h GLU 3 CO 0.40 0.28 -0.34 0.00 -1.40 0.00 0.00 179.01 177.95 2ddj s ALA 4 N -3.23 4.20 0.27 3.43 0.00 -1.26 -4.60 121.76 120.57 2ddj s ALA 4 Ca 0.04 -1.79 -0.04 0.00 0.00 0.00 0.00 51.96 50.17 2ddj s ALA 4 Cb 0.08 -1.01 0.34 0.00 0.00 0.00 0.00 23.12 22.53 2ddj s ALA 4 CO 0.69 -0.33 1.89 0.93 0.00 0.00 0.00 175.76 178.94 2ddj h GLU 5 N 0.89 1.10 -6.36 0.00 3.07 -1.92 -3.34 114.58 108.02 2ddj h GLU 5 Ca -0.39 -0.13 -0.54 0.00 -0.50 0.00 0.00 59.36 57.80 2ddj h GLU 5 Cb 1.28 -0.22 -0.06 0.00 -0.84 0.00 0.00 28.75 28.91 2ddj h GLU 5 CO 0.56 0.81 1.11 0.12 -1.40 0.00 0.00 179.01 180.21 2ddj s PHE 6 N -5.73 2.24 -0.78 4.33 5.36 -1.26 -4.93 117.98 117.21 2ddj s PHE 6 Ca -0.12 0.40 -0.25 0.00 -0.96 0.00 0.00 56.93 56.00 2ddj s PHE 6 Cb 0.17 -4.42 -0.05 0.00 -0.34 0.00 0.00 43.02 38.38 2ddj s PHE 6 CO 0.81 -2.01 2.02 0.99 -1.46 0.00 0.00 175.22 175.57 2ddj s THR 7 N 6.23 3.33 0.15 0.12 2.01 -1.25 -4.79 115.64 121.44 2ddj s THR 7 Ca 0.50 -0.14 -0.31 0.00 0.31 0.00 0.00 61.69 62.05 2ddj s THR 7 Cb -0.10 -3.79 -0.10 0.00 0.01 0.00 0.00 72.50 68.52 2ddj s THR 7 CO 0.23 -0.75 1.54 -0.62 -0.69 0.00 0.00 174.62 174.32 2ddj s ASP 8 N 8.72 6.63 0.41 3.53 2.15 -1.26 -4.86 116.67 132.00 2ddj s ASP 8 Ca 0.74 2.56 0.22 0.00 0.43 0.00 0.00 52.55 56.50 2ddj s ASP 8 Cb -0.10 -2.59 1.21 0.00 -0.30 0.00 0.00 42.92 41.14 2ddj s ASP 8 CO 0.08 -0.80 1.73 0.00 -0.17 0.00 0.00 175.17 176.02 2ddj h ALA 9 N 6.86 2.40 -0.92 3.66 0.00 -1.91 -1.52 119.26 127.83 2ddj h ALA 9 Ca -0.42 0.07 0.18 0.00 0.00 0.00 0.00 54.91 54.74 2ddj h ALA 9 Cb 1.20 0.08 -0.11 0.00 0.00 0.00 0.00 17.79 18.97 2ddj h ALA 9 CO 0.91 -0.86 0.50 0.00 0.00 0.00 0.00 179.25 179.79 2ddj n VAL 11 N -4.87 0.00 -3.76 0.00 0.31 -0.58 -4.67 118.33 104.77 2ddj n VAL 11 Ca 0.21 -0.23 -0.36 0.00 -0.01 0.00 0.00 64.34 63.95 2ddj n VAL 11 Cb 0.54 0.77 -0.06 0.00 -0.91 0.00 0.00 33.84 34.18 2ddj n VAL 11 CO 0.00 0.00 0.00 -0.22 -1.32 0.00 0.00 176.83 175.29 2ddj s LEU 12 N -2.33 4.39 0.86 7.52 2.96 -0.66 -0.54 118.68 130.88 2ddj s LEU 12 Ca 0.26 0.59 -0.13 0.00 -0.22 0.00 0.00 54.13 54.63 2ddj s LEU 12 Cb 0.19 -2.49 0.04 0.00 0.50 0.00 0.00 46.19 44.44 2ddj s LEU 12 CO 0.47 0.31 0.69 -2.65 -1.32 0.00 0.00 176.35 173.84 2ddj n PRO 13 N 1.46 -0.07 -4.25 0.98 -0.02 -1.26 -4.71 135.00 127.15 2ddj n PRO 13 Ca -0.14 0.04 -0.33 0.00 -2.02 0.00 0.00 63.50 61.05 2ddj n PRO 13 Cb 0.53 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.90 2ddj n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddj s ALA 14 N -2.25 3.35 0.02 3.55 0.00 -1.26 -4.33 121.76 120.85 2ddj s ALA 14 Ca 0.64 -0.92 0.01 0.00 0.00 0.00 0.00 51.96 51.68 2ddj s ALA 14 Cb -0.26 -1.41 -0.02 0.00 0.00 0.00 0.00 23.12 21.43 2ddj s ALA 14 CO 0.61 0.65 -0.04 0.08 0.00 0.00 0.00 175.76 177.06 2ddj s VAL 15 N -1.10 0.21 -0.08 0.00 1.01 -1.26 -4.98 120.40 114.20 2ddj s VAL 15 Ca 0.20 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.12 2ddj s VAL 15 Cb -0.12 -0.32 -0.29 0.00 0.00 0.00 0.00 36.38 35.65 2ddj s VAL 15 CO 0.10 -0.40 0.76 1.56 0.00 0.00 0.00 175.10 177.12 2ddj h GLN 16 N 4.80 0.22 0.00 2.72 4.20 -1.87 -3.40 115.11 121.79 2ddj h GLN 16 Ca -0.32 -0.38 0.00 0.00 0.06 0.00 0.00 58.65 58.01 2ddj h GLN 16 Cb 1.21 0.14 0.00 0.00 0.30 0.00 0.00 27.48 29.13 2ddj h GLN 16 CO 0.42 1.18 0.00 0.41 -0.67 0.00 0.00 178.83 180.17 2ddj n GLY 17 N 1.66 1.69 0.25 3.46 0.00 -1.21 -0.87 105.19 110.17 2ddj n GLY 17 Ca -0.17 -2.09 -0.02 0.00 0.00 0.00 0.00 46.02 43.74 2ddj n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddj h PRO 18 N 0.00 0.51 -7.21 1.61 0.13 -1.91 -3.45 132.00 121.68 2ddj h PRO 18 Ca 0.00 -0.16 -0.52 0.00 -0.87 0.00 0.00 66.00 64.45 2ddj h PRO 18 Cb 0.00 -0.05 0.15 0.00 0.13 0.00 0.00 31.00 31.23 2ddj h PRO 18 CO 0.00 0.65 0.35 0.00 -0.23 0.00 0.00 178.00 178.77 2ddj n ARG 20 N -3.02 1.84 -1.59 0.00 3.00 -1.26 -4.74 116.66 110.89 2ddj n ARG 20 Ca 0.12 -1.75 -0.34 0.00 -0.01 0.00 0.00 57.85 55.88 2ddj n ARG 20 Cb 0.51 -1.31 0.07 0.00 0.00 0.00 0.00 32.46 31.73 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ddj s GLY 21 N -1.11 2.28 -0.23 -0.13 0.00 -1.26 -5.01 107.32 101.86 2ddj s GLY 21 Ca 0.23 0.74 0.01 0.00 0.00 0.00 0.00 44.72 45.70 2ddj s GLY 21 CO 0.19 1.13 -0.08 -0.98 0.00 0.00 0.00 173.10 173.36 2ddj s TRP 22 N -2.12 2.60 -0.25 1.90 0.23 -1.26 -4.08 118.94 115.96 2ddj s TRP 22 Ca 0.71 -1.85 0.00 0.00 -2.03 0.00 0.00 56.10 52.93 2ddj s TRP 22 Cb -0.25 -1.67 0.04 0.00 0.03 0.00 0.00 33.47 31.62 2ddj s TRP 22 CO 0.43 -0.79 -0.09 -2.00 0.96 0.00 0.00 176.95 175.46 2ddj s GLU 23 N 1.33 2.62 0.02 4.98 2.56 0.11 -4.97 118.70 125.35 2ddj s GLU 23 Ca -0.06 -1.11 -0.30 0.00 0.00 0.00 0.00 54.97 53.50 2ddj s GLU 23 Cb -0.19 -2.93 -0.06 0.00 2.00 0.00 0.00 34.13 32.96 2ddj s GLU 23 CO -0.06 -0.46 1.37 -1.25 -0.56 0.00 0.00 175.26 174.30 2ddj s PRO 24 N 1.24 4.31 0.40 4.30 0.04 -1.26 -0.60 135.00 143.43 2ddj s PRO 24 Ca -0.03 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.02 2ddj s PRO 24 Cb -0.18 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.85 2ddj s PRO 24 CO -0.05 -0.51 0.19 0.54 0.04 0.00 0.00 177.00 177.21 2ddj n ARG 25 N 4.97 0.52 -4.68 4.56 5.12 -0.35 -4.92 116.66 121.87 2ddj n ARG 25 Ca 0.12 -3.50 -0.28 0.00 -1.93 0.00 0.00 57.85 52.25 2ddj n ARG 25 Cb 0.44 2.19 -0.14 0.00 -1.16 0.00 0.00 32.46 33.79 2ddj n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ddj s TRP 26 N -3.21 2.16 0.03 -1.55 0.52 -0.61 -0.10 118.94 116.19 2ddj s TRP 26 Ca 0.27 -0.40 -0.00 0.00 0.02 0.00 0.00 56.10 55.99 2ddj s TRP 26 Cb 0.01 -1.26 -0.02 0.00 -1.15 0.00 0.00 33.47 31.05 2ddj s TRP 26 CO 0.19 0.17 -0.03 0.00 0.02 0.00 0.00 176.95 177.31 2ddj s ALA 27 N -0.89 0.20 0.09 0.98 0.00 -0.54 -0.23 121.76 121.37 2ddj s ALA 27 Ca 0.11 -0.72 -0.24 0.00 0.00 0.00 0.00 51.96 51.11 2ddj s ALA 27 Cb -0.10 0.18 -0.07 0.00 0.00 0.00 0.00 23.12 23.13 2ddj s ALA 27 CO 0.03 -0.21 0.72 -0.47 0.00 0.00 0.00 175.76 175.83 2ddj s TYR 28 N -2.00 3.81 -0.25 0.00 5.04 -1.26 -1.06 117.35 121.63 2ddj s TYR 28 Ca -0.11 1.47 0.00 0.00 -2.44 0.00 0.00 57.07 56.00 2ddj s TYR 28 Cb -0.06 -2.72 0.04 0.00 0.35 0.00 0.00 41.96 39.57 2ddj s TYR 28 CO -0.03 0.43 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.40 2ddj s SER 29 N -0.67 4.26 0.30 4.32 0.01 -0.01 -4.93 113.70 116.97 2ddj s SER 29 Ca 0.35 -1.05 0.05 0.00 1.31 0.00 0.00 55.95 56.61 2ddj s SER 29 Cb -0.21 -1.61 0.46 0.00 0.21 0.00 0.00 66.02 64.87 2ddj s SER 29 CO 0.23 -0.15 1.72 1.55 0.41 0.00 0.00 173.24 177.00 2ddj h PRO 30 N 7.93 0.33 0.00 12.44 0.13 -1.83 0.29 132.00 151.29 2ddj h PRO 30 Ca -0.29 -0.14 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2ddj h PRO 30 Cb 1.09 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.54 0.63 0.00 -0.07 -0.23 0.00 0.00 178.00 178.88 2ddj h LEU 31 N 0.29 0.00 -0.84 1.56 3.38 -1.94 -0.89 115.31 116.86 2ddj h LEU 31 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ddj h LEU 31 Cb 0.73 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.48 2ddj h LEU 31 CO 0.06 0.00 -0.16 0.18 0.09 0.00 0.00 178.44 178.60 2ddj n LEU 32 N -2.33 1.28 -2.22 1.67 4.77 -0.89 -4.99 117.00 114.28 2ddj n LEU 32 Ca 0.00 -0.80 -0.10 0.00 -0.03 0.00 0.00 56.01 55.08 2ddj n LEU 32 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2ddj n LEU 32 CO 0.16 0.26 -0.12 1.67 -1.33 0.00 0.00 177.39 178.03 2ddj n GLN 33 N -0.13 -2.14 -3.73 3.23 7.27 -0.00 -4.88 117.38 116.99 2ddj n GLN 33 Ca 0.04 0.50 -0.07 0.00 0.07 0.00 0.00 57.00 57.54 2ddj n GLN 33 Cb 0.21 -5.01 -0.02 0.00 2.41 0.00 0.00 30.24 27.83 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddj s GLN 34 N -4.59 1.53 0.44 3.69 0.74 -0.64 -4.74 119.66 116.09 2ddj s GLN 34 Ca 0.00 -0.79 -0.12 0.00 0.05 0.00 0.00 55.36 54.50 2ddj s GLN 34 Cb 0.00 0.56 -0.07 0.00 1.10 0.00 0.00 33.01 34.60 2ddj s GLN 34 CO 0.00 -0.69 0.83 0.00 -0.55 0.00 0.00 175.29 174.88 2ddj s HIS 36 N -2.45 -0.00 0.94 0.00 -3.43 -0.23 -4.91 115.29 105.20 2ddj s HIS 36 Ca 0.53 -0.10 -0.11 0.00 -0.80 0.00 0.00 55.06 54.59 2ddj s HIS 36 Cb -0.10 -0.01 0.16 0.00 -1.43 0.00 0.00 32.58 31.20 2ddj s HIS 36 CO 0.32 -0.36 1.11 -2.14 -2.00 0.00 0.00 174.74 171.66 2ddj s PRO 37 N -1.81 0.84 0.18 -0.38 0.02 -1.26 -1.46 135.00 131.13 2ddj s PRO 37 Ca -0.11 1.26 -0.20 0.00 0.02 0.00 0.00 61.00 61.97 2ddj s PRO 37 Cb -0.05 -1.73 0.05 0.00 0.02 0.00 0.00 34.50 32.79 2ddj s PRO 37 CO 0.00 -2.66 0.55 -0.59 -0.33 0.00 0.00 177.00 173.98 2ddj s PHE 38 N -2.69 -0.32 -0.37 6.54 -0.71 0.86 -4.79 117.98 116.50 2ddj s PHE 38 Ca 0.66 0.03 -0.17 0.00 -1.04 0.00 0.00 56.93 56.41 2ddj s PHE 38 Cb -0.22 0.47 0.00 0.00 -1.21 0.00 0.00 43.02 42.07 2ddj s PHE 38 CO 0.59 -0.88 0.43 0.08 -1.34 0.00 0.00 175.22 174.10 2ddj s VAL 39 N -3.81 5.09 0.50 -2.49 1.01 -1.26 -1.21 120.40 118.23 2ddj s VAL 39 Ca 0.05 0.01 0.09 0.00 0.00 0.00 0.00 61.98 62.13 2ddj s VAL 39 Cb -0.01 -3.94 0.05 0.00 0.00 0.00 0.00 36.38 32.48 2ddj s VAL 39 CO -0.08 -0.24 0.69 -0.47 0.00 0.00 0.00 175.10 175.00 2ddj s TYR 40 N 2.18 2.06 -0.02 5.22 5.04 0.24 -4.66 117.35 127.41 2ddj s TYR 40 Ca 0.14 -0.57 0.03 0.00 -2.44 0.00 0.00 57.07 54.23 2ddj s TYR 40 Cb -0.16 -2.29 0.04 0.00 0.35 0.00 0.00 41.96 39.90 2ddj s TYR 40 CO 0.13 -0.82 0.90 0.41 -1.34 0.00 0.00 175.55 174.84 2ddj n GLY 41 N -2.06 1.68 4.07 8.97 0.00 -0.05 -0.71 105.19 117.09 2ddj n GLY 41 Ca 0.12 -0.17 0.00 0.00 0.00 0.00 0.00 46.02 45.97 2ddj n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddj n GLY 42 N -0.49 1.52 1.23 -0.02 0.00 -1.26 -4.50 105.19 101.66 2ddj n GLY 42 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.96 2ddj n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddj n GLU 44 N -1.82 0.00 -2.02 0.00 4.71 -1.26 -4.75 120.64 115.50 2ddj n GLU 44 Ca 0.05 0.00 -0.02 0.00 -0.01 0.00 0.00 57.16 57.18 2ddj n GLU 44 Cb 0.18 -0.92 0.01 0.00 -1.01 0.00 0.00 31.44 29.71 2ddj n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ddj n GLY 45 N 1.20 1.49 4.00 0.62 0.00 -1.26 -3.34 105.19 107.89 2ddj n GLY 45 Ca 0.14 -1.07 -0.23 0.00 0.00 0.00 0.00 46.02 44.86 2ddj n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ddj s ASN 46 N -1.73 4.57 0.11 1.61 -0.87 -1.26 -5.00 114.94 112.36 2ddj s ASN 46 Ca 0.06 -0.41 0.27 0.00 -1.57 0.00 0.00 52.86 51.21 2ddj s ASN 46 Cb -0.01 -0.05 1.00 0.00 -0.02 0.00 0.00 41.25 42.16 2ddj s ASN 46 CO 0.03 -1.70 1.82 0.61 -2.57 0.00 0.00 177.10 175.30 2ddj n GLY 47 N -2.68 -1.55 2.85 0.66 0.00 -1.26 -4.16 105.19 99.04 2ddj n GLY 47 Ca 0.14 -0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 2ddj n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddj n ASN 48 N -1.88 3.95 -3.49 1.61 2.85 -1.26 -4.73 115.26 112.31 2ddj n ASN 48 Ca 0.06 -2.84 -0.13 0.00 -0.11 0.00 0.00 54.58 51.56 2ddj n ASN 48 Cb 0.37 -1.65 -0.11 0.00 1.24 0.00 0.00 39.78 39.62 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2ddj s ASN 49 N 3.39 0.57 0.35 1.20 3.84 -1.25 -4.61 114.94 118.42 2ddj s ASN 49 Ca 0.48 0.24 0.07 0.00 0.21 0.00 0.00 52.86 53.87 2ddj s ASN 49 Cb 0.13 0.83 -0.07 0.00 -0.55 0.00 0.00 41.25 41.59 2ddj s ASN 49 CO -0.06 -0.29 -0.03 -0.36 -2.79 0.00 0.00 177.10 173.57 2ddj s PHE 50 N 2.46 2.28 -0.12 0.43 0.08 0.67 -4.93 117.98 118.85 2ddj s PHE 50 Ca 0.07 -0.66 0.18 0.00 0.12 0.00 0.00 56.93 56.64 2ddj s PHE 50 Cb -0.14 -1.43 -0.18 0.00 -0.57 0.00 0.00 43.02 40.70 2ddj s PHE 50 CO -0.13 0.40 0.67 0.72 -0.10 0.00 0.00 175.22 176.78 2ddj n HIS 51 N -0.79 0.73 -3.62 0.36 8.25 -1.26 -1.57 115.22 117.32 2ddj n HIS 51 Ca -0.05 0.24 -0.01 0.00 -0.26 0.00 0.00 57.72 57.64 2ddj n HIS 51 Cb 0.65 -1.01 0.01 0.00 1.12 0.00 0.00 29.99 30.76 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 2ddj n SER 52 N -2.80 -0.69 -0.20 0.41 3.41 -1.26 -4.75 113.62 107.75 2ddj n SER 52 Ca -0.13 -1.36 -0.03 0.00 -0.26 0.00 0.00 58.87 57.09 2ddj n SER 52 Cb 0.86 1.12 0.07 0.00 -0.26 0.00 0.00 64.21 66.00 2ddj n SER 52 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 2ddj h ARG 53 N 0.00 0.58 -0.22 4.33 9.65 -1.98 -3.16 114.38 123.58 2ddj h ARG 53 Ca -0.11 -0.04 0.02 0.00 -1.10 0.00 0.00 59.98 58.76 2ddj h ARG 53 Cb 0.48 -0.13 -0.03 0.00 -1.39 0.00 0.00 29.97 28.90 2ddj h ARG 53 CO 0.14 0.39 -0.13 -1.91 2.80 0.00 0.00 179.97 181.26 2ddj n GLU 54 N -4.83 -0.10 0.05 0.20 2.13 -1.26 -0.17 120.64 116.67 2ddj n GLU 54 Ca 0.06 0.85 -0.03 0.00 0.66 0.00 0.00 57.16 58.70 2ddj n GLU 54 Cb 0.14 -1.27 0.20 0.00 0.27 0.00 0.00 31.44 30.79 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2ddj h SER 55 N 0.00 0.39 -0.48 4.31 4.64 -1.96 -1.08 113.55 119.36 2ddj h SER 55 Ca 0.03 -0.15 -0.06 0.00 -0.47 0.00 0.00 61.79 61.15 2ddj h SER 55 Cb 0.09 -0.11 -0.02 0.00 -0.31 0.00 0.00 62.40 62.05 2ddj h SER 55 CO -0.20 0.72 0.08 0.00 -0.87 0.00 0.00 176.83 176.55 2ddj h GLU 57 N 0.67 0.43 -1.00 0.00 5.08 0.01 0.31 114.58 120.07 2ddj h GLU 57 Ca 0.15 -0.10 0.03 0.00 -1.00 0.00 0.00 59.36 58.44 2ddj h GLU 57 Cb 0.39 -0.06 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2ddj h GLU 57 CO 0.01 0.52 0.66 0.22 -1.00 0.00 0.00 179.01 179.42 2ddj h ASP 58 N 0.41 1.10 0.38 1.42 3.58 -0.88 -3.05 116.42 119.38 2ddj h ASP 58 Ca 0.08 -0.01 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2ddj h ASP 58 Cb 0.39 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 41.19 2ddj h ASP 58 CO 0.02 0.76 -0.18 0.00 -2.88 0.00 0.00 179.24 176.95 2ddj h ALA 59 N 1.41 -0.52 -2.84 -0.78 0.00 -0.38 -3.48 119.26 112.68 2ddj h ALA 59 Ca 0.40 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.15 2ddj h ALA 59 Cb -0.01 0.20 -0.13 0.00 0.00 0.00 0.00 17.79 17.85 2ddj h ALA 59 CO -0.12 -0.48 0.10 0.00 0.00 0.00 0.00 179.25 178.75 2ddj s PRO 61 N -3.54 4.18 0.40 0.00 0.04 -1.26 -3.43 135.00 131.38 2ddj s PRO 61 Ca 0.00 1.19 0.04 0.00 0.04 0.00 0.00 61.00 62.27 2ddj s PRO 61 Cb -0.00 -3.68 -0.04 0.00 0.04 0.00 0.00 34.50 30.82 2ddj s PRO 61 CO -0.11 -0.71 0.07 0.08 0.04 0.00 0.00 177.00 176.37 2ddj s VAL 62 N 3.30 1.03 0.75 -0.36 1.01 -1.26 -5.03 120.40 119.84 2ddj s VAL 62 Ca 0.43 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.29 2ddj s VAL 62 Cb -0.14 -2.52 0.05 0.00 0.00 0.00 0.00 36.38 33.76 2ddj s VAL 62 CO 0.09 0.00 1.11 -0.69 0.00 0.00 0.00 175.10 175.62 2ddj s VAL 63 N -3.13 3.09 -0.45 2.92 1.01 -1.26 -4.89 120.40 117.69 2ddj s VAL 63 Ca 0.26 0.41 -0.44 0.00 0.00 0.00 0.00 61.98 62.21 2ddj s VAL 63 Cb 0.05 -2.87 -0.18 0.00 0.00 0.00 0.00 36.38 33.38 2ddj s VAL 63 CO 0.13 -0.40 1.88 -0.67 0.00 0.00 0.00 175.10 176.04 2ddj n ASP 64 N -3.18 1.31 0.00 3.32 -0.08 -1.26 -4.82 116.55 111.84 2ddj n ASP 64 Ca 0.10 0.91 0.07 0.00 -1.51 0.00 0.00 54.79 54.36 2ddj n ASP 64 Cb 0.52 -0.96 0.42 0.00 2.34 0.00 0.00 41.12 43.44 2ddj n ASP 64 CO 0.00 0.00 0.00 1.41 0.12 0.00 0.00 177.20 178.73 2ddj n HIS 65 N 6.09 0.00 -1.03 -0.67 8.25 -1.26 -4.90 115.22 121.69 2ddj n HIS 65 Ca 0.40 0.00 -0.21 0.00 -0.26 0.00 0.00 57.72 57.65 2ddj n HIS 65 Cb 0.00 -0.06 -0.13 0.00 1.12 0.00 0.00 29.99 30.92 2ddj n HIS 65 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddj n HIS 66 N -1.06 0.17 -2.01 4.41 1.44 -1.26 -4.73 115.22 112.19 2ddj n HIS 66 Ca 0.10 0.12 -0.42 0.00 -2.01 0.00 0.00 57.72 55.51 2ddj n HIS 66 Cb 0.06 -0.93 -0.03 0.00 0.12 0.00 0.00 29.99 29.21 2ddj n HIS 66 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ddj s HIS 67 N 2.80 2.85 -0.73 -1.40 3.76 -1.26 -4.88 115.29 116.43 2ddj s HIS 67 Ca 0.92 0.60 -0.26 0.00 -0.15 0.00 0.00 55.06 56.18 2ddj s HIS 67 Cb -0.71 -3.87 -0.04 0.00 1.11 0.00 0.00 32.58 29.07 2ddj s HIS 67 CO 0.37 -3.28 1.94 -1.58 -0.85 0.00 0.00 174.74 171.34 2ddj s HIS 68 N 1.79 1.67 0.73 1.40 2.46 -1.26 -4.94 115.29 117.14 2ddj s HIS 68 Ca 0.70 0.81 -0.16 0.00 0.47 0.00 0.00 55.06 56.88 2ddj s HIS 68 Cb -0.40 -4.02 -0.03 0.00 -0.13 0.00 0.00 32.58 28.00 2ddj s HIS 68 CO 0.31 -2.07 0.58 1.58 -2.47 0.00 0.00 174.74 172.67 2ddj n HIS 69 N 13.62 -0.63 -0.60 3.88 -0.00 -1.26 -5.20 115.22 125.03 2ddj n HIS 69 Ca 0.30 0.35 0.00 0.00 0.46 0.00 0.00 57.72 58.83 2ddj n HIS 69 Cb 0.50 -1.93 0.00 0.00 -0.12 0.00 0.00 29.99 28.44 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38