#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 0.18 0.23 0.62 0.00 -1.26 -4.43 121.76 117.10 2ddj s ALA 2 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 51.96 51.71 2ddj s ALA 2 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 23.12 23.13 2ddj s ALA 2 CO 0.00 -0.01 0.00 0.39 0.00 0.00 0.00 175.76 176.14 2ddj n GLU 3 N 2.60 0.00 -3.14 0.00 4.71 -1.26 -4.81 120.64 118.74 2ddj n GLU 3 Ca -0.16 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.84 2ddj n GLU 3 Cb 0.58 -0.08 -0.02 0.00 -1.01 0.00 0.00 31.44 30.91 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ddj n ALA 4 N -3.37 0.31 0.03 0.62 0.00 -1.26 -1.57 120.51 115.27 2ddj n ALA 4 Ca 0.00 -1.18 0.12 0.00 0.00 0.00 0.00 53.44 52.38 2ddj n ALA 4 Cb 0.00 0.58 0.18 0.00 0.00 0.00 0.00 19.45 20.22 2ddj n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddj n GLU 5 N -0.86 0.02 0.00 0.00 4.71 -1.18 -4.57 120.64 118.76 2ddj n GLU 5 Ca -0.07 0.79 0.00 0.00 -0.01 0.00 0.00 57.16 57.87 2ddj n GLU 5 Cb 0.33 -2.05 0.00 0.00 -1.01 0.00 0.00 31.44 28.71 2ddj n GLU 5 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 2ddj n PHE 6 N -2.51 -0.38 -1.54 -0.32 7.35 -1.26 -4.76 117.46 114.03 2ddj n PHE 6 Ca 0.10 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.56 2ddj n PHE 6 Cb 1.04 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 40.78 2ddj n PHE 6 CO 0.00 0.00 0.00 2.41 -0.76 0.00 0.00 176.76 178.41 2ddj n THR 7 N -1.04 -0.03 -2.47 -2.13 -1.04 -1.26 -4.87 114.28 101.44 2ddj n THR 7 Ca 0.00 -0.55 -0.39 0.00 -2.04 0.00 0.00 64.05 61.07 2ddj n THR 7 Cb 0.00 -1.83 -0.03 0.00 -1.82 0.00 0.00 70.33 66.65 2ddj n THR 7 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ddj s ASP 8 N 9.63 6.17 0.36 8.00 2.15 -1.26 -4.57 116.67 137.15 2ddj s ASP 8 Ca 1.03 -0.92 0.15 0.00 0.43 0.00 0.00 52.55 53.24 2ddj s ASP 8 Cb -0.33 -2.56 1.01 0.00 -0.30 0.00 0.00 42.92 40.74 2ddj s ASP 8 CO 0.23 -1.80 1.75 0.00 -0.17 0.00 0.00 175.17 175.18 2ddj h ALA 9 N 10.38 2.04 -0.14 3.66 0.00 -1.83 -1.53 119.26 131.83 2ddj h ALA 9 Ca 0.00 0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 2ddj h ALA 9 Cb 1.03 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 2ddj h ALA 9 CO 1.34 -0.48 -0.05 0.00 0.00 0.00 0.00 179.25 180.06 2ddj n VAL 11 N -4.36 0.00 -4.15 0.00 0.31 -0.61 -4.46 118.33 105.06 2ddj n VAL 11 Ca -0.01 -0.12 -0.32 0.00 -0.01 0.00 0.00 64.34 63.89 2ddj n VAL 11 Cb 0.20 0.87 -0.08 0.00 -0.91 0.00 0.00 33.84 33.92 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 -2.71 3.68 0.85 7.52 2.96 -0.73 -5.07 118.68 125.17 2ddj s LEU 12 Ca 0.15 0.00 -0.12 0.00 -0.22 0.00 0.00 54.13 53.94 2ddj s LEU 12 Cb 0.18 -2.24 0.10 0.00 0.50 0.00 0.00 46.19 44.73 2ddj s LEU 12 CO 0.67 0.23 1.14 -2.65 -1.32 0.00 0.00 176.35 174.42 2ddj n PRO 13 N 0.96 -0.05 -2.04 0.98 -0.02 -1.26 -4.85 135.00 128.72 2ddj n PRO 13 Ca -0.12 0.06 -0.34 0.00 -2.02 0.00 0.00 63.50 61.08 2ddj n PRO 13 Cb 0.52 -2.38 0.02 0.00 -0.02 0.00 0.00 33.50 31.64 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 -2.30 2.61 -0.06 3.55 0.00 -1.26 -4.65 121.76 119.65 2ddj s ALA 14 Ca 0.71 0.65 0.03 0.00 0.00 0.00 0.00 51.96 53.34 2ddj s ALA 14 Cb -0.27 -3.32 0.01 0.00 0.00 0.00 0.00 23.12 19.54 2ddj s ALA 14 CO 0.54 -0.97 -0.13 0.08 0.00 0.00 0.00 175.76 175.28 2ddj s VAL 15 N -2.10 1.18 -0.13 0.00 1.01 -1.23 -5.02 120.40 114.11 2ddj s VAL 15 Ca 0.69 -0.52 0.19 0.00 0.00 0.00 0.00 61.98 62.34 2ddj s VAL 15 Cb -0.21 -1.06 -0.26 0.00 0.00 0.00 0.00 36.38 34.85 2ddj s VAL 15 CO 0.34 0.36 0.35 0.00 0.00 0.00 0.00 175.10 176.15 2ddj n GLN 16 N 3.65 0.67 0.00 2.72 6.02 -1.26 -4.73 117.38 124.44 2ddj n GLN 16 Ca -0.22 -0.03 0.00 0.00 -0.01 0.00 0.00 57.00 56.75 2ddj n GLN 16 Cb 0.52 -1.58 0.00 0.00 1.02 0.00 0.00 30.24 30.21 2ddj n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ddj n GLY 17 N 1.52 -1.74 0.00 1.08 0.00 -1.12 -0.71 105.19 104.22 2ddj n GLY 17 Ca -0.19 -1.53 0.13 0.00 0.00 0.00 0.00 46.02 44.43 2ddj n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddj n PRO 18 N -2.07 0.53 -0.83 1.61 -0.04 -1.26 -4.81 135.00 128.14 2ddj n PRO 18 Ca 0.00 0.03 -0.28 0.00 -0.04 0.00 0.00 63.50 63.21 2ddj n PRO 18 Cb 0.00 -1.50 0.24 0.00 -0.04 0.00 0.00 33.50 32.20 2ddj n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddj n ARG 20 N -4.81 0.26 -2.89 0.00 1.74 -1.26 -4.96 116.66 104.74 2ddj n ARG 20 Ca 0.14 -0.52 -0.31 0.00 -0.77 0.00 0.00 57.85 56.39 2ddj n ARG 20 Cb 0.55 -0.73 -0.04 0.00 -1.02 0.00 0.00 32.46 31.22 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddj s GLY 21 N -0.18 2.04 -0.23 -0.13 0.00 -1.26 -5.07 107.32 102.48 2ddj s GLY 21 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 44.72 44.60 2ddj s GLY 21 CO 0.00 0.07 -0.06 -0.98 0.00 0.00 0.00 173.10 172.13 2ddj s TRP 22 N -2.30 2.44 -0.21 1.90 0.23 -1.26 -4.09 118.94 115.64 2ddj s TRP 22 Ca 0.52 -1.77 0.02 0.00 -2.03 0.00 0.00 56.10 52.84 2ddj s TRP 22 Cb -0.10 -1.60 0.04 0.00 0.03 0.00 0.00 33.47 31.84 2ddj s TRP 22 CO 0.28 -0.78 -0.16 -2.00 0.96 0.00 0.00 176.95 175.26 2ddj s GLU 23 N 1.38 2.62 0.31 4.98 2.56 0.33 -4.96 118.70 125.93 2ddj s GLU 23 Ca -0.06 -1.02 -0.29 0.00 0.00 0.00 0.00 54.97 53.61 2ddj s GLU 23 Cb -0.19 -2.67 -0.10 0.00 2.00 0.00 0.00 34.13 33.18 2ddj s GLU 23 CO -0.06 -0.36 1.24 -1.25 -0.56 0.00 0.00 175.26 174.27 2ddj s PRO 24 N 1.23 4.45 0.36 4.30 0.04 -1.26 -1.20 135.00 142.91 2ddj s PRO 24 Ca -0.01 2.09 0.06 0.00 0.04 0.00 0.00 61.00 63.18 2ddj s PRO 24 Cb -0.16 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2ddj s PRO 24 CO -0.10 -0.06 0.22 1.03 0.04 0.00 0.00 177.00 178.13 2ddj s ARG 25 N -1.67 1.81 -0.01 4.56 1.81 -0.40 -4.89 118.95 120.16 2ddj s ARG 25 Ca 0.47 -2.07 0.08 0.00 -1.72 0.00 0.00 55.73 52.49 2ddj s ARG 25 Cb -0.37 -0.01 -0.02 0.00 -0.45 0.00 0.00 34.95 34.09 2ddj s ARG 25 CO 0.49 -0.59 -0.25 -1.58 -0.68 0.00 0.00 175.30 172.69 2ddj s TRP 26 N -3.38 2.28 0.01 -0.53 0.52 -0.55 -0.26 118.94 117.03 2ddj s TRP 26 Ca 0.34 -0.43 -0.02 0.00 0.02 0.00 0.00 56.10 56.02 2ddj s TRP 26 Cb 0.02 -1.46 -0.01 0.00 -1.15 0.00 0.00 33.47 30.87 2ddj s TRP 26 CO 0.22 -0.02 0.02 0.00 0.02 0.00 0.00 176.95 177.19 2ddj s ALA 27 N -0.62 -0.01 0.19 0.98 0.00 -0.65 -0.24 121.76 121.42 2ddj s ALA 27 Ca 0.10 -0.39 -0.30 0.00 0.00 0.00 0.00 51.96 51.37 2ddj s ALA 27 Cb -0.10 0.11 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 2ddj s ALA 27 CO -0.01 -0.15 0.95 -0.47 0.00 0.00 0.00 175.76 176.08 2ddj s TYR 28 N -1.23 3.91 -0.25 0.00 5.04 -1.26 -1.24 117.35 122.31 2ddj s TYR 28 Ca -0.13 1.87 -0.00 0.00 -2.44 0.00 0.00 57.07 56.36 2ddj s TYR 28 Cb -0.08 -3.01 0.04 0.00 0.35 0.00 0.00 41.96 39.25 2ddj s TYR 28 CO -0.00 0.34 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.35 2ddj s SER 29 N -0.68 4.31 0.32 4.32 0.01 0.36 -4.72 113.70 117.62 2ddj s SER 29 Ca 0.44 -1.07 0.09 0.00 1.31 0.00 0.00 55.95 56.72 2ddj s SER 29 Cb -0.25 -1.62 0.53 0.00 0.21 0.00 0.00 66.02 64.90 2ddj s SER 29 CO 0.31 -0.15 1.73 1.55 0.41 0.00 0.00 173.24 177.09 2ddj h PRO 30 N 7.93 0.12 0.00 12.44 0.13 -1.81 0.10 132.00 150.91 2ddj h PRO 30 Ca -0.28 -0.06 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 2ddj h PRO 30 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.53 0.00 1.28 -0.23 0.00 0.00 178.00 180.12 2ddj n LEU 31 N -4.02 0.64 -0.14 1.56 4.32 -1.26 -1.44 117.00 116.67 2ddj n LEU 31 Ca -0.02 0.72 0.03 0.00 -0.02 0.00 0.00 56.01 56.72 2ddj n LEU 31 Cb 0.47 -0.70 0.00 0.00 -1.62 0.00 0.00 43.42 41.57 2ddj n LEU 31 CO 0.41 -0.76 0.20 0.18 -1.22 0.00 0.00 177.39 176.20 2ddj n LEU 32 N -2.27 0.98 -2.29 2.23 4.77 -0.85 -5.00 117.00 114.57 2ddj n LEU 32 Ca 0.00 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 55.08 2ddj n LEU 32 Cb 0.14 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.22 2ddj n LEU 32 CO 0.15 0.21 -0.13 1.67 -1.33 0.00 0.00 177.39 177.96 2ddj n GLN 33 N -0.26 -2.17 -3.71 3.23 7.27 0.26 -4.90 117.38 117.09 2ddj n GLN 33 Ca 0.02 0.54 -0.08 0.00 0.07 0.00 0.00 57.00 57.55 2ddj n GLN 33 Cb 0.12 -5.07 -0.02 0.00 2.41 0.00 0.00 30.24 27.68 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 -4.73 1.55 0.52 3.69 0.74 -0.65 -4.51 119.66 116.27 2ddj s GLN 34 Ca 0.00 -0.79 -0.05 0.00 0.05 0.00 0.00 55.36 54.58 2ddj s GLN 34 Cb 0.00 0.58 -0.02 0.00 1.10 0.00 0.00 33.01 34.67 2ddj s GLN 34 CO 0.00 -0.70 0.81 0.00 -0.55 0.00 0.00 175.29 174.85 2ddj s HIS 36 N -2.81 -0.26 0.88 0.00 -3.43 -0.37 -4.89 115.29 104.41 2ddj s HIS 36 Ca 0.50 0.24 -0.11 0.00 -0.80 0.00 0.00 55.06 54.89 2ddj s HIS 36 Cb -0.10 0.20 0.12 0.00 -1.43 0.00 0.00 32.58 31.37 2ddj s HIS 36 CO 0.44 -0.55 1.15 -2.14 -2.00 0.00 0.00 174.74 171.64 2ddj s PRO 37 N -2.34 1.27 0.20 -0.38 0.02 -1.26 -1.64 135.00 130.88 2ddj s PRO 37 Ca -0.06 1.54 -0.20 0.00 0.02 0.00 0.00 61.00 62.29 2ddj s PRO 37 Cb -0.01 -1.76 0.04 0.00 0.02 0.00 0.00 34.50 32.79 2ddj s PRO 37 CO -0.01 -2.44 0.60 -0.59 -0.33 0.00 0.00 177.00 174.22 2ddj s PHE 38 N -2.60 -0.30 -0.25 6.54 -0.71 0.64 -4.81 117.98 116.49 2ddj s PHE 38 Ca 0.67 -0.03 -0.24 0.00 -1.04 0.00 0.00 56.93 56.30 2ddj s PHE 38 Cb -0.23 0.53 -0.01 0.00 -1.21 0.00 0.00 43.02 42.11 2ddj s PHE 38 CO 0.56 -0.97 0.80 0.08 -1.34 0.00 0.00 175.22 174.35 2ddj s VAL 39 N -3.84 4.85 0.47 -2.49 1.01 -1.26 -1.28 120.40 117.87 2ddj s VAL 39 Ca 0.06 1.47 0.04 0.00 0.00 0.00 0.00 61.98 63.55 2ddj s VAL 39 Cb -0.02 -4.09 -0.04 0.00 0.00 0.00 0.00 36.38 32.23 2ddj s VAL 39 CO -0.04 -0.07 0.03 -0.47 0.00 0.00 0.00 175.10 174.54 2ddj s TYR 40 N 2.80 2.13 -0.00 5.22 5.04 -0.34 -4.68 117.35 127.52 2ddj s TYR 40 Ca 0.33 -0.83 0.01 0.00 -2.44 0.00 0.00 57.07 54.14 2ddj s TYR 40 Cb -0.15 -1.70 0.01 0.00 0.35 0.00 0.00 41.96 40.46 2ddj s TYR 40 CO 0.08 0.28 0.79 0.41 -1.34 0.00 0.00 175.55 175.76 2ddj n GLY 41 N -1.18 0.38 2.57 8.97 0.00 0.12 -0.51 105.19 115.54 2ddj n GLY 41 Ca -0.12 -0.03 0.00 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.30 2.36 1.07 -0.02 0.00 -1.26 -4.69 105.19 102.35 2ddj n GLY 42 Ca 0.00 -0.11 -0.09 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.41 0.00 -3.67 0.00 4.71 -1.26 -4.71 120.64 113.30 2ddj n GLU 44 Ca 0.05 0.00 -0.13 0.00 -0.01 0.00 0.00 57.16 57.07 2ddj n GLU 44 Cb 0.18 -0.91 -0.06 0.00 -1.01 0.00 0.00 31.44 29.64 2ddj n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddj s GLY 45 N -0.28 -0.27 0.11 0.62 0.00 -1.26 -2.80 107.32 103.44 2ddj s GLY 45 Ca 0.56 0.31 0.00 0.00 0.00 0.00 0.00 44.72 45.60 2ddj s GLY 45 CO 0.39 0.06 0.15 0.70 0.00 0.00 0.00 173.10 174.40 2ddj n ASN 46 N 0.54 0.23 -0.29 1.64 4.13 -1.26 -4.99 115.26 115.26 2ddj n ASN 46 Ca -0.19 -1.19 0.13 0.00 1.68 0.00 0.00 54.58 55.01 2ddj n ASN 46 Cb 0.60 -0.09 0.37 0.00 -1.54 0.00 0.00 39.78 39.11 2ddj n ASN 46 CO 0.00 0.00 0.00 1.23 0.28 0.00 0.00 177.26 178.77 2ddj h GLY 47 N -0.07 1.32 -5.61 7.41 0.00 -1.81 -3.02 103.07 101.29 2ddj h GLY 47 Ca -0.05 -0.31 -0.67 0.00 0.00 0.00 0.00 47.33 46.30 2ddj h GLY 47 CO 0.06 0.05 3.32 -2.01 0.00 0.00 0.00 176.54 177.96 2ddj n ASN 48 N -4.60 5.74 -3.46 0.19 5.15 -1.26 -0.60 115.26 116.41 2ddj n ASN 48 Ca 0.19 -2.69 -0.10 0.00 -0.60 0.00 0.00 54.58 51.38 2ddj n ASN 48 Cb 0.51 -1.54 -0.09 0.00 -0.53 0.00 0.00 39.78 38.13 2ddj n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddj s ASN 49 N 2.95 0.19 0.12 1.20 3.84 -1.14 -3.58 114.94 118.52 2ddj s ASN 49 Ca 0.56 0.43 0.09 0.00 0.21 0.00 0.00 52.86 54.15 2ddj s ASN 49 Cb 0.15 1.10 -0.04 0.00 -0.55 0.00 0.00 41.25 41.91 2ddj s ASN 49 CO -0.06 -0.28 -0.19 -0.36 -2.79 0.00 0.00 177.10 173.42 2ddj s PHE 50 N 2.54 2.51 -0.87 0.43 0.40 0.67 -1.34 117.98 122.32 2ddj s PHE 50 Ca 0.08 -0.28 0.23 0.00 -0.60 0.00 0.00 56.93 56.37 2ddj s PHE 50 Cb -0.14 -1.33 0.19 0.00 0.51 0.00 0.00 43.02 42.24 2ddj s PHE 50 CO -0.14 0.39 1.17 0.72 0.70 0.00 0.00 175.22 178.05 2ddj n HIS 51 N 0.79 0.10 -4.01 0.36 8.25 -1.26 -1.48 115.22 117.96 2ddj n HIS 51 Ca -0.16 0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.24 2ddj n HIS 51 Cb 0.53 -0.26 -0.06 0.00 1.12 0.00 0.00 29.99 31.31 2ddj n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddj s SER 52 N -3.33 -0.05 0.07 0.41 1.04 -1.26 -4.87 113.70 105.71 2ddj s SER 52 Ca 0.08 -0.97 -0.37 0.00 0.48 0.00 0.00 55.95 55.17 2ddj s SER 52 Cb 0.16 0.53 -0.20 0.00 0.10 0.00 0.00 66.02 66.62 2ddj s SER 52 CO 0.77 -1.06 1.57 -0.09 0.98 0.00 0.00 173.24 175.42 2ddj h ARG 53 N 2.35 -1.20 -0.03 4.02 9.65 -1.97 -3.07 114.38 124.13 2ddj h ARG 53 Ca -0.28 0.08 0.03 0.00 -1.10 0.00 0.00 59.98 58.71 2ddj h ARG 53 Cb 1.25 0.27 -0.03 0.00 -1.39 0.00 0.00 29.97 30.07 2ddj h ARG 53 CO 0.40 -0.80 -0.15 1.49 2.80 0.00 0.00 179.97 183.70 2ddj h GLU 54 N -1.25 -0.23 -0.75 0.20 4.57 -1.99 -0.78 114.58 114.35 2ddj h GLU 54 Ca -0.12 0.02 0.15 0.00 -1.18 0.00 0.00 59.36 58.23 2ddj h GLU 54 Cb 0.98 0.05 -0.05 0.00 -0.16 0.00 0.00 28.75 29.58 2ddj h GLU 54 CO 0.16 -0.16 0.50 0.66 -1.18 0.00 0.00 179.01 178.99 2ddj h SER 55 N -0.24 0.36 0.10 1.04 4.64 -1.98 0.21 113.55 117.67 2ddj h SER 55 Ca 0.06 0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.40 2ddj h SER 55 Cb 0.32 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.36 2ddj h SER 55 CO -0.17 0.18 -0.05 0.00 -0.87 0.00 0.00 176.83 175.93 2ddj h GLU 57 N -0.85 0.43 -0.74 0.00 5.08 -1.06 -0.85 114.58 116.60 2ddj h GLU 57 Ca -0.01 -0.05 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 2ddj h GLU 57 Cb 0.58 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.71 2ddj h GLU 57 CO 0.02 0.38 0.43 0.22 -1.00 0.00 0.00 179.01 179.06 2ddj h ASP 58 N 0.43 0.89 -0.09 1.42 3.58 -0.57 -1.96 116.42 120.11 2ddj h ASP 58 Ca 0.11 -0.05 -0.01 0.00 0.42 0.00 0.00 57.03 57.50 2ddj h ASP 58 Cb 0.12 -0.22 -0.00 0.00 1.72 0.00 0.00 39.33 40.94 2ddj h ASP 58 CO -0.01 0.69 0.03 0.00 -2.88 0.00 0.00 179.24 177.07 2ddj h ALA 59 N 1.46 0.12 -1.93 -0.78 0.00 0.16 -3.40 119.26 114.89 2ddj h ALA 59 Ca 0.26 -0.10 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 2ddj h ALA 59 Cb -0.02 -0.03 -0.20 0.00 0.00 0.00 0.00 17.79 17.53 2ddj h ALA 59 CO -0.05 -0.29 0.24 0.00 0.00 0.00 0.00 179.25 179.15 2ddj s PRO 61 N -0.85 3.42 0.00 0.00 0.04 -1.14 -3.95 135.00 132.51 2ddj s PRO 61 Ca -0.07 -2.12 0.00 0.00 0.04 0.00 0.00 61.00 58.85 2ddj s PRO 61 Cb -0.01 -4.44 0.00 0.00 0.04 0.00 0.00 34.50 30.09 2ddj s PRO 61 CO 0.07 -1.37 0.00 0.28 0.04 0.00 0.00 177.00 176.01 2ddj n VAL 62 N 4.56 0.00 -1.31 -0.36 0.31 -1.24 -4.99 118.33 115.29 2ddj n VAL 62 Ca 0.07 0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.02 2ddj n VAL 62 Cb 0.45 0.00 0.04 0.00 -0.91 0.00 0.00 33.84 33.42 2ddj n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddj n VAL 63 N 0.00 1.44 -2.31 2.52 0.31 -1.26 -4.80 118.33 114.22 2ddj n VAL 63 Ca 0.00 -0.46 -0.43 0.00 -0.01 0.00 0.00 64.34 63.44 2ddj n VAL 63 Cb 0.00 -0.50 -0.02 0.00 -0.91 0.00 0.00 33.84 32.40 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ddj s ASP 64 N -1.23 6.43 -0.54 4.52 2.15 -1.26 -4.85 116.67 121.89 2ddj s ASP 64 Ca 0.63 1.13 -0.21 0.00 0.43 0.00 0.00 52.55 54.53 2ddj s ASP 64 Cb -0.40 -2.54 0.06 0.00 -0.30 0.00 0.00 42.92 39.74 2ddj s ASP 64 CO 0.60 -1.30 0.76 -1.00 -0.17 0.00 0.00 175.17 174.06 2ddj s HIS 65 N 5.11 2.93 -0.48 -5.34 3.76 -1.26 -4.82 115.29 115.20 2ddj s HIS 65 Ca 0.62 -0.43 -0.04 0.00 -0.15 0.00 0.00 55.06 55.06 2ddj s HIS 65 Cb -0.17 -3.81 -0.16 0.00 1.11 0.00 0.00 32.58 29.54 2ddj s HIS 65 CO 0.29 -1.21 1.19 0.72 -0.85 0.00 0.00 174.74 174.88 2ddj n HIS 66 N 6.71 0.00 -1.07 1.40 -0.00 -0.61 -4.77 115.22 116.88 2ddj n HIS 66 Ca -0.04 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.38 2ddj n HIS 66 Cb 0.46 -0.32 0.16 0.00 -0.00 0.00 0.00 29.99 30.28 2ddj n HIS 66 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2ddj s HIS 67 N 0.00 2.11 -0.89 4.41 3.76 -1.26 -3.08 115.29 120.35 2ddj s HIS 67 Ca 0.63 1.29 -0.26 0.00 -0.15 0.00 0.00 55.06 56.57 2ddj s HIS 67 Cb -0.41 -3.18 -0.14 0.00 1.11 0.00 0.00 32.58 29.97 2ddj s HIS 67 CO 0.27 -2.65 2.26 -1.01 -0.85 0.00 0.00 174.74 172.76 2ddj s HIS 68 N -2.85 1.28 0.40 1.40 3.76 -1.26 -4.69 115.29 113.34 2ddj s HIS 68 Ca 0.64 1.82 0.22 0.00 -0.15 0.00 0.00 55.06 57.60 2ddj s HIS 68 Cb -0.19 -3.52 1.22 0.00 1.11 0.00 0.00 32.58 31.20 2ddj s HIS 68 CO 0.58 -1.38 2.01 0.45 -0.85 0.00 0.00 174.74 175.55 2ddj h HIS 69 N 12.14 0.00 0.00 1.40 -0.00 -1.95 -3.54 115.15 123.20 2ddj h HIS 69 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.40 2ddj h HIS 69 Cb 1.00 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2ddj h HIS 69 CO 1.14 0.17 0.00 0.72 -0.00 0.00 0.00 177.93 179.97