#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddj n ALA 2 N 0.00 1.38 0.08 0.62 0.00 -1.26 -0.53 120.51 120.80 2ddj n ALA 2 Ca 0.00 0.00 0.15 0.00 0.00 0.00 0.00 53.44 53.59 2ddj n ALA 2 Cb 0.00 -0.92 0.65 0.00 0.00 0.00 0.00 19.45 19.18 2ddj n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 3 N 0.00 0.04 -5.79 0.00 3.07 -1.96 -3.42 114.58 106.52 2ddj h GLU 3 Ca 0.00 -0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.26 2ddj h GLU 3 Cb 0.00 -0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 27.80 2ddj h GLU 3 CO 0.00 0.03 -0.53 0.00 -1.40 0.00 0.00 179.01 177.11 2ddj s ALA 4 N -5.07 3.46 0.62 3.43 0.00 -1.19 -5.03 121.76 117.97 2ddj s ALA 4 Ca -0.05 -2.12 0.34 0.00 0.00 0.00 0.00 51.96 50.12 2ddj s ALA 4 Cb 0.19 -0.17 1.95 0.00 0.00 0.00 0.00 23.12 25.09 2ddj s ALA 4 CO 0.71 -0.15 2.23 0.93 0.00 0.00 0.00 175.76 179.48 2ddj h GLU 5 N 1.54 0.00 -5.12 0.00 3.07 -1.89 -3.40 114.58 108.78 2ddj h GLU 5 Ca -0.43 0.00 -0.38 0.00 -0.50 0.00 0.00 59.36 58.05 2ddj h GLU 5 Cb 1.25 0.00 -0.22 0.00 -0.84 0.00 0.00 28.75 28.94 2ddj h GLU 5 CO 0.74 0.00 -0.77 0.12 -1.40 0.00 0.00 179.01 177.70 2ddj s PHE 6 N -4.46 1.06 -0.92 4.33 5.36 -1.26 -5.07 117.98 117.01 2ddj s PHE 6 Ca -0.05 -0.45 -0.17 0.00 -0.96 0.00 0.00 56.93 55.30 2ddj s PHE 6 Cb 0.14 -0.61 -0.26 0.00 -0.34 0.00 0.00 43.02 41.95 2ddj s PHE 6 CO 0.49 0.02 2.21 2.41 -1.46 0.00 0.00 175.22 178.88 2ddj n THR 7 N 1.41 0.00 -2.00 0.12 -1.04 -1.26 -4.77 114.28 106.74 2ddj n THR 7 Ca -0.21 -0.26 -0.31 0.00 -2.04 0.00 0.00 64.05 61.23 2ddj n THR 7 Cb 0.54 -0.20 -0.04 0.00 -1.82 0.00 0.00 70.33 68.81 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 3.67 5.10 0.41 8.00 -1.08 0.31 -4.37 116.67 128.70 2ddj s ASP 8 Ca 1.23 -0.20 0.23 0.00 -0.52 0.00 0.00 52.55 53.30 2ddj s ASP 8 Cb -0.95 -2.55 1.25 0.00 -1.46 0.00 0.00 42.92 39.21 2ddj s ASP 8 CO 0.49 -2.67 1.69 0.00 0.52 0.00 0.00 175.17 175.20 2ddj h ALA 9 N 13.04 2.42 -0.19 3.66 0.00 -1.87 -1.75 119.26 134.58 2ddj h ALA 9 Ca -0.05 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 2ddj h ALA 9 Cb 1.07 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 2ddj h ALA 9 CO 1.20 -0.96 0.07 0.00 0.00 0.00 0.00 179.25 179.56 2ddj n VAL 11 N -4.45 0.00 -4.23 0.00 0.31 -0.71 -4.63 118.33 104.61 2ddj n VAL 11 Ca -0.00 -0.21 -0.35 0.00 -0.01 0.00 0.00 64.34 63.77 2ddj n VAL 11 Cb 0.12 0.95 -0.10 0.00 -0.91 0.00 0.00 33.84 33.90 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 -2.49 3.61 0.84 7.52 2.96 -0.68 -4.82 118.68 125.62 2ddj s LEU 12 Ca 0.21 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.06 2ddj s LEU 12 Cb 0.18 -1.87 0.09 0.00 0.50 0.00 0.00 46.19 45.10 2ddj s LEU 12 CO 0.56 0.25 1.12 -2.65 -1.32 0.00 0.00 176.35 174.31 2ddj n PRO 13 N 2.98 -0.02 -2.04 0.98 -0.02 -1.26 -4.83 135.00 130.78 2ddj n PRO 13 Ca -0.18 0.07 -0.43 0.00 -2.02 0.00 0.00 63.50 60.95 2ddj n PRO 13 Cb 0.53 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.61 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 -2.27 3.16 -0.14 3.55 0.00 -1.26 -4.79 121.76 120.02 2ddj s ALA 14 Ca 0.70 0.47 -0.17 0.00 0.00 0.00 0.00 51.96 52.96 2ddj s ALA 14 Cb -0.27 -3.90 -0.04 0.00 0.00 0.00 0.00 23.12 18.90 2ddj s ALA 14 CO 0.54 -2.14 0.45 0.08 0.00 0.00 0.00 175.76 174.69 2ddj s VAL 15 N 5.71 5.20 -0.13 0.00 1.01 -1.26 -4.96 120.40 125.97 2ddj s VAL 15 Ca 0.76 0.88 0.16 0.00 0.00 0.00 0.00 61.98 63.78 2ddj s VAL 15 Cb -0.25 -3.79 -0.06 0.00 0.00 0.00 0.00 36.38 32.28 2ddj s VAL 15 CO 0.31 0.32 1.06 1.56 0.00 0.00 0.00 175.10 178.35 2ddj h GLN 16 N 6.82 0.00 0.00 2.72 4.20 -1.91 -3.45 115.11 123.49 2ddj h GLN 16 Ca -0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.31 2ddj h GLN 16 Cb 1.17 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.95 2ddj h GLN 16 CO 0.75 0.36 0.00 0.41 -0.67 0.00 0.00 178.83 179.69 2ddj n GLY 17 N 1.33 -0.72 0.27 3.46 0.00 -1.25 -0.61 105.19 107.67 2ddj n GLY 17 Ca -0.05 -1.69 -0.11 0.00 0.00 0.00 0.00 46.02 44.16 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 0.95 -7.24 1.61 0.13 -1.90 -3.46 132.00 122.08 2ddj h PRO 18 Ca 0.00 -0.40 -0.49 0.00 -0.87 0.00 0.00 66.00 64.24 2ddj h PRO 18 Cb 0.00 -0.03 0.19 0.00 0.13 0.00 0.00 31.00 31.29 2ddj h PRO 18 CO 0.00 1.07 0.17 0.00 -0.23 0.00 0.00 178.00 179.01 2ddj n ARG 20 N -4.36 2.84 -1.47 0.00 5.12 -1.26 -4.66 116.66 112.87 2ddj n ARG 20 Ca 0.09 -1.70 -0.30 0.00 -1.93 0.00 0.00 57.85 54.00 2ddj n ARG 20 Cb 0.53 -1.10 0.09 0.00 -1.16 0.00 0.00 32.46 30.83 2ddj n ARG 20 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2ddj s GLY 21 N -1.17 1.63 -0.19 -0.13 0.00 -1.26 -5.05 107.32 101.15 2ddj s GLY 21 Ca 0.07 -0.11 -0.00 0.00 0.00 0.00 0.00 44.72 44.68 2ddj s GLY 21 CO 0.03 0.31 -0.04 -0.98 0.00 0.00 0.00 173.10 172.42 2ddj s TRP 22 N -3.08 1.81 -0.17 1.90 0.23 -1.26 -3.99 118.94 114.38 2ddj s TRP 22 Ca 0.61 -1.24 0.00 0.00 -2.03 0.00 0.00 56.10 53.44 2ddj s TRP 22 Cb -0.15 -1.35 0.04 0.00 0.03 0.00 0.00 33.47 32.03 2ddj s TRP 22 CO 0.55 -0.66 -0.10 -2.00 0.96 0.00 0.00 176.95 175.70 2ddj s GLU 23 N 1.60 1.92 0.29 4.98 2.56 0.33 -4.97 118.70 125.41 2ddj s GLU 23 Ca -0.01 -0.64 -0.29 0.00 0.00 0.00 0.00 54.97 54.02 2ddj s GLU 23 Cb -0.16 -2.17 -0.10 0.00 2.00 0.00 0.00 34.13 33.70 2ddj s GLU 23 CO -0.07 -0.36 1.30 -1.25 -0.56 0.00 0.00 175.26 174.32 2ddj s PRO 24 N 1.50 4.38 0.34 4.30 0.04 -1.26 -1.10 135.00 143.19 2ddj s PRO 24 Ca 0.01 2.16 0.08 0.00 0.04 0.00 0.00 61.00 63.29 2ddj s PRO 24 Cb -0.15 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.25 2ddj s PRO 24 CO -0.09 -0.19 0.28 1.03 0.04 0.00 0.00 177.00 178.08 2ddj s ARG 25 N -1.28 1.78 0.02 4.56 1.81 -0.48 -4.90 118.95 120.46 2ddj s ARG 25 Ca 0.51 -2.04 0.06 0.00 -1.72 0.00 0.00 55.73 52.55 2ddj s ARG 25 Cb -0.39 0.32 -0.03 0.00 -0.45 0.00 0.00 34.95 34.40 2ddj s ARG 25 CO 0.48 -0.66 -0.18 -1.58 -0.68 0.00 0.00 175.30 172.68 2ddj s TRP 26 N -3.41 2.57 0.00 -0.53 0.52 -0.16 -0.21 118.94 117.71 2ddj s TRP 26 Ca 0.41 -0.25 -0.03 0.00 0.02 0.00 0.00 56.10 56.25 2ddj s TRP 26 Cb 0.02 -1.50 -0.01 0.00 -1.15 0.00 0.00 33.47 30.84 2ddj s TRP 26 CO 0.28 0.22 0.05 0.00 0.02 0.00 0.00 176.95 177.52 2ddj s ALA 27 N -0.87 -0.11 0.10 0.98 0.00 -0.37 -0.25 121.76 121.25 2ddj s ALA 27 Ca 0.14 -0.22 -0.30 0.00 0.00 0.00 0.00 51.96 51.58 2ddj s ALA 27 Cb -0.10 0.06 -0.06 0.00 0.00 0.00 0.00 23.12 23.02 2ddj s ALA 27 CO 0.04 -0.14 0.99 -0.47 0.00 0.00 0.00 175.76 176.18 2ddj s TYR 28 N -1.00 3.75 -0.25 0.00 5.04 -1.26 -1.10 117.35 122.53 2ddj s TYR 28 Ca -0.11 1.74 0.00 0.00 -2.44 0.00 0.00 57.07 56.26 2ddj s TYR 28 Cb -0.06 -3.11 0.04 0.00 0.35 0.00 0.00 41.96 39.17 2ddj s TYR 28 CO 0.00 0.00 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.01 2ddj s SER 29 N 0.17 4.27 0.31 4.32 0.01 0.26 -4.70 113.70 118.33 2ddj s SER 29 Ca 0.48 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.76 2ddj s SER 29 Cb -0.24 -1.61 0.53 0.00 0.21 0.00 0.00 66.02 64.91 2ddj s SER 29 CO 0.30 -0.15 1.74 1.55 0.41 0.00 0.00 173.24 177.10 2ddj h PRO 30 N 7.93 0.22 0.00 12.44 0.13 -1.82 0.52 132.00 151.42 2ddj h PRO 30 Ca -0.29 -0.09 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ddj h PRO 30 Cb 1.08 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddj h PRO 30 CO 0.54 0.56 0.00 1.28 -0.23 0.00 0.00 178.00 180.15 2ddj n LEU 31 N -4.07 0.46 -0.12 1.56 4.77 -1.26 -1.21 117.00 117.12 2ddj n LEU 31 Ca -0.01 0.66 0.02 0.00 -0.03 0.00 0.00 56.01 56.65 2ddj n LEU 31 Cb 0.44 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2ddj n LEU 31 CO 0.41 -0.65 0.20 0.18 -1.33 0.00 0.00 177.39 176.20 2ddj n LEU 32 N -2.05 0.96 -4.31 2.23 4.77 -0.85 -5.01 117.00 112.74 2ddj n LEU 32 Ca 0.01 -0.81 -0.38 0.00 -0.03 0.00 0.00 56.01 54.80 2ddj n LEU 32 Cb 0.13 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.17 2ddj n LEU 32 CO 0.13 0.21 -0.07 1.67 -1.33 0.00 0.00 177.39 178.00 2ddj n GLN 33 N -0.25 -2.47 -3.66 3.23 0.00 0.09 -4.89 117.38 109.44 2ddj n GLN 33 Ca 0.02 0.31 -0.04 0.00 -0.00 0.00 0.00 57.00 57.29 2ddj n GLN 33 Cb 0.10 -4.98 -0.01 0.00 0.00 0.00 0.00 30.24 25.35 2ddj n GLN 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2ddj s GLN 34 N -7.02 0.90 0.31 3.69 2.00 -0.69 -4.84 119.66 114.00 2ddj s GLN 34 Ca 0.76 -0.45 -0.10 0.00 -2.00 0.00 0.00 55.36 53.56 2ddj s GLN 34 Cb -0.42 0.33 -0.07 0.00 0.80 0.00 0.00 33.01 33.65 2ddj s GLN 34 CO 0.96 -0.41 0.66 0.00 -0.50 0.00 0.00 175.29 176.00 2ddj s HIS 36 N -2.05 -0.01 0.81 0.00 -3.43 -0.26 -4.92 115.29 105.42 2ddj s HIS 36 Ca 0.50 -0.24 -0.13 0.00 -0.80 0.00 0.00 55.06 54.39 2ddj s HIS 36 Cb -0.11 0.04 0.08 0.00 -1.43 0.00 0.00 32.58 31.17 2ddj s HIS 36 CO 0.24 -0.52 1.18 -2.14 -2.00 0.00 0.00 174.74 171.50 2ddj s PRO 37 N -3.05 1.70 0.22 -0.38 0.02 -1.26 -1.23 135.00 131.02 2ddj s PRO 37 Ca -0.01 1.64 -0.18 0.00 0.02 0.00 0.00 61.00 62.47 2ddj s PRO 37 Cb 0.01 -1.79 0.02 0.00 0.02 0.00 0.00 34.50 32.76 2ddj s PRO 37 CO -0.07 -2.14 0.56 -0.59 -0.33 0.00 0.00 177.00 174.43 2ddj s PHE 38 N -2.30 -0.07 -0.37 6.54 -0.71 0.70 -4.81 117.98 116.96 2ddj s PHE 38 Ca 0.71 -0.29 -0.19 0.00 -1.04 0.00 0.00 56.93 56.11 2ddj s PHE 38 Cb -0.26 0.43 0.00 0.00 -1.21 0.00 0.00 43.02 41.99 2ddj s PHE 38 CO 0.51 -0.99 0.57 0.08 -1.34 0.00 0.00 175.22 174.05 2ddj s VAL 39 N -3.90 4.95 0.47 -2.49 1.01 -1.26 -1.39 120.40 117.79 2ddj s VAL 39 Ca 0.11 0.37 0.07 0.00 0.00 0.00 0.00 61.98 62.53 2ddj s VAL 39 Cb -0.02 -4.04 0.01 0.00 0.00 0.00 0.00 36.38 32.33 2ddj s VAL 39 CO 0.01 -0.31 0.41 -0.47 0.00 0.00 0.00 175.10 174.73 2ddj s TYR 40 N 2.55 2.24 -0.14 5.22 5.04 -0.26 -4.71 117.35 127.29 2ddj s TYR 40 Ca 0.21 -0.63 0.03 0.00 -2.44 0.00 0.00 57.07 54.24 2ddj s TYR 40 Cb -0.15 -2.08 0.07 0.00 0.35 0.00 0.00 41.96 40.15 2ddj s TYR 40 CO 0.15 -0.30 1.05 0.41 -1.34 0.00 0.00 175.55 175.51 2ddj n GLY 41 N -1.65 3.11 4.08 8.97 0.00 0.23 -0.51 105.19 119.41 2ddj n GLY 41 Ca 0.03 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.42 1.60 1.28 -0.02 0.00 -1.26 -4.46 105.19 101.90 2ddj n GLY 42 Ca 0.03 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.91 0.00 -3.98 0.00 4.71 -1.26 -4.78 120.64 113.42 2ddj n GLU 44 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.11 2ddj n GLU 44 Cb 0.19 -0.90 -0.04 0.00 -1.01 0.00 0.00 31.44 29.68 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 -0.31 0.59 0.19 0.62 0.00 -1.26 -3.82 107.32 103.33 2ddj s GLY 45 Ca 0.56 -0.90 0.00 0.00 0.00 0.00 0.00 44.72 44.38 2ddj s GLY 45 CO 0.40 -0.59 0.26 0.70 0.00 0.00 0.00 173.10 173.86 2ddj n ASN 46 N -0.63 0.39 -0.08 1.64 4.13 -1.26 -5.00 115.26 114.44 2ddj n ASN 46 Ca -0.02 -1.32 0.09 0.00 1.68 0.00 0.00 54.58 55.01 2ddj n ASN 46 Cb 0.61 -0.16 0.45 0.00 -1.54 0.00 0.00 39.78 39.14 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 -0.13 0.67 -5.78 7.41 0.00 -1.96 -3.31 103.07 99.97 2ddj h GLY 47 Ca -0.09 -0.21 -0.70 0.00 0.00 0.00 0.00 47.33 46.33 2ddj h GLY 47 CO 0.10 0.16 3.25 -2.01 0.00 0.00 0.00 176.54 178.03 2ddj n ASN 48 N -4.48 5.16 -3.57 0.19 2.85 -1.26 -4.59 115.26 109.56 2ddj n ASN 48 Ca 0.08 -2.79 -0.20 0.00 -0.11 0.00 0.00 54.58 51.56 2ddj n ASN 48 Cb 0.26 -1.62 -0.15 0.00 1.24 0.00 0.00 39.78 39.51 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 2.81 1.44 0.27 1.20 3.84 -1.25 -4.05 114.94 119.19 2ddj s ASN 49 Ca 0.52 -0.16 0.11 0.00 0.21 0.00 0.00 52.86 53.54 2ddj s ASN 49 Cb 0.15 0.20 -0.05 0.00 -0.55 0.00 0.00 41.25 41.00 2ddj s ASN 49 CO -0.08 -0.31 -0.14 -0.36 -2.79 0.00 0.00 177.10 173.42 2ddj s PHE 50 N 2.27 2.43 -0.84 0.43 0.08 0.66 -4.96 117.98 118.04 2ddj s PHE 50 Ca 0.05 -0.29 0.13 0.00 0.12 0.00 0.00 56.93 56.94 2ddj s PHE 50 Cb -0.15 -1.07 -0.10 0.00 -0.57 0.00 0.00 43.02 41.13 2ddj s PHE 50 CO -0.10 0.67 0.63 0.72 -0.10 0.00 0.00 175.22 177.05 2ddj n HIS 51 N -0.62 0.00 -3.75 0.36 8.25 -1.26 -0.99 115.22 117.21 2ddj n HIS 51 Ca -0.06 0.00 -0.08 0.00 -0.26 0.00 0.00 57.72 57.32 2ddj n HIS 51 Cb 0.59 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.68 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 -2.07 -0.33 0.04 0.41 1.04 -1.26 -4.86 113.70 106.67 2ddj s SER 52 Ca 0.07 -0.46 -0.24 0.00 0.48 0.00 0.00 55.95 55.80 2ddj s SER 52 Cb 0.10 0.69 -0.16 0.00 0.10 0.00 0.00 66.02 66.75 2ddj s SER 52 CO 0.48 -1.24 1.49 -0.09 0.98 0.00 0.00 173.24 174.86 2ddj h ARG 53 N 2.01 0.06 -0.27 4.02 9.65 -1.98 -3.16 114.38 124.71 2ddj h ARG 53 Ca -0.23 -0.02 0.03 0.00 -1.10 0.00 0.00 59.98 58.66 2ddj h ARG 53 Cb 1.27 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.80 2ddj h ARG 53 CO 0.27 0.31 -0.19 1.49 2.80 0.00 0.00 179.97 184.66 2ddj h GLU 54 N -0.19 -0.04 -0.69 0.20 4.22 -1.98 0.32 114.58 116.42 2ddj h GLU 54 Ca 0.01 0.00 0.07 0.00 0.08 0.00 0.00 59.36 59.52 2ddj h GLU 54 Cb 0.28 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2ddj h GLU 54 CO 0.00 -0.03 0.45 0.66 -2.18 0.00 0.00 179.01 177.92 2ddj h SER 55 N -0.04 0.61 0.08 1.04 4.64 -1.97 0.14 113.55 118.05 2ddj h SER 55 Ca 0.04 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.36 2ddj h SER 55 Cb 0.16 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 62.12 2ddj h SER 55 CO -0.27 0.39 -0.04 0.00 -0.87 0.00 0.00 176.83 176.04 2ddj h GLU 57 N -0.52 0.50 -0.89 0.00 5.08 -0.35 0.62 114.58 119.02 2ddj h GLU 57 Ca -0.01 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2ddj h GLU 57 Cb 0.44 -0.10 -0.06 0.00 0.50 0.00 0.00 28.75 29.52 2ddj h GLU 57 CO 0.02 0.37 0.57 0.22 -1.00 0.00 0.00 179.01 179.18 2ddj h ASP 58 N 0.50 0.91 0.45 1.42 1.82 -0.52 -2.87 116.42 118.14 2ddj h ASP 58 Ca 0.13 0.01 -0.02 0.00 -0.39 0.00 0.00 57.03 56.75 2ddj h ASP 58 Cb 0.02 -0.19 0.00 0.00 0.68 0.00 0.00 39.33 39.85 2ddj h ASP 58 CO -0.02 0.60 -0.22 0.00 -1.61 0.00 0.00 179.24 177.99 2ddj h ALA 59 N 1.40 -0.77 -2.66 -0.78 0.00 -0.03 -3.39 119.26 113.02 2ddj h ALA 59 Ca 0.37 -0.13 -0.04 0.00 0.00 0.00 0.00 54.91 55.11 2ddj h ALA 59 Cb 0.10 0.24 -0.15 0.00 0.00 0.00 0.00 17.79 17.98 2ddj h ALA 59 CO -0.15 -0.73 0.13 0.00 0.00 0.00 0.00 179.25 178.50 2ddj s PRO 61 N -2.93 2.96 0.13 0.00 0.04 -1.25 -3.54 135.00 130.41 2ddj s PRO 61 Ca -0.03 -2.24 0.02 0.00 0.04 0.00 0.00 61.00 58.79 2ddj s PRO 61 Cb -0.00 -4.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.44 2ddj s PRO 61 CO -0.06 -1.24 0.06 0.28 0.04 0.00 0.00 177.00 176.09 2ddj n VAL 62 N 4.19 0.00 -1.67 -0.36 0.31 -1.25 -5.05 118.33 114.50 2ddj n VAL 62 Ca 0.04 -0.79 -0.39 0.00 -0.01 0.00 0.00 64.34 63.19 2ddj n VAL 62 Cb 0.42 0.32 0.04 0.00 -0.91 0.00 0.00 33.84 33.71 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 -0.27 3.41 -1.00 2.52 0.31 -1.26 -4.78 118.33 117.26 2ddj n VAL 63 Ca -0.00 -0.50 -0.37 0.00 -0.01 0.00 0.00 64.34 63.45 2ddj n VAL 63 Cb 0.20 -1.39 -0.04 0.00 -0.91 0.00 0.00 33.84 31.70 2ddj n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddj n ASP 64 N -0.53 -0.38 -3.05 4.52 2.03 -1.26 -4.55 116.55 113.33 2ddj n ASP 64 Ca 0.11 0.79 -0.27 0.00 0.52 0.00 0.00 54.79 55.94 2ddj n ASP 64 Cb 0.44 -0.64 -0.11 0.00 -0.72 0.00 0.00 41.12 40.09 2ddj n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddj n HIS 65 N 0.59 0.35 -0.79 -0.67 8.25 -1.25 -4.31 115.22 117.38 2ddj n HIS 65 Ca 0.13 0.24 -0.02 0.00 -0.26 0.00 0.00 57.72 57.81 2ddj n HIS 65 Cb 0.11 -1.52 -0.02 0.00 1.12 0.00 0.00 29.99 29.68 2ddj n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 66 N 6.86 0.00 -2.64 4.41 8.25 -1.26 -4.83 115.22 126.01 2ddj n HIS 66 Ca 0.45 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.53 2ddj n HIS 66 Cb 0.03 -0.37 -0.05 0.00 1.12 0.00 0.00 29.99 30.71 2ddj n HIS 66 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ddj s HIS 67 N 0.00 3.58 1.00 4.41 3.76 -1.26 -5.07 115.29 121.70 2ddj s HIS 67 Ca 0.11 1.74 -0.16 0.00 -0.15 0.00 0.00 55.06 56.60 2ddj s HIS 67 Cb -0.07 -3.07 0.20 0.00 1.11 0.00 0.00 32.58 30.75 2ddj s HIS 67 CO 0.05 -0.18 1.23 -3.38 -0.85 0.00 0.00 174.74 171.61 2ddj s HIS 68 N -1.47 1.60 -0.15 1.40 -3.43 -1.26 -4.90 115.29 107.07 2ddj s HIS 68 Ca 0.50 0.49 -0.31 0.00 -0.80 0.00 0.00 55.06 54.94 2ddj s HIS 68 Cb -0.24 -3.78 -0.09 0.00 -1.43 0.00 0.00 32.58 27.05 2ddj s HIS 68 CO 0.30 -2.83 2.08 1.58 -2.00 0.00 0.00 174.74 173.87 2ddj n HIS 69 N -3.97 2.12 0.35 0.38 -0.00 -1.26 -5.25 115.22 107.59 2ddj n HIS 69 Ca 0.13 -0.09 0.03 0.00 0.46 0.00 0.00 57.72 58.25 2ddj n HIS 69 Cb 0.60 -2.70 0.17 0.00 -0.12 0.00 0.00 29.99 27.94 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38