#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 0.00 0.01 4.31 0.00 -1.26 -4.49 120.51 119.08 2ddj n ALA 2 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 2ddj n ALA 2 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2ddj n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddj n GLU 3 N 0.00 0.65 -1.01 0.00 -0.58 -1.26 -3.84 120.64 114.59 2ddj n GLU 3 Ca 0.00 -0.02 -0.20 0.00 -0.42 0.00 0.00 57.16 56.52 2ddj n GLU 3 Cb 0.13 -1.64 -0.08 0.00 -0.57 0.00 0.00 31.44 29.28 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ddj n ALA 4 N -2.35 0.43 0.25 0.62 0.00 -1.26 -4.67 120.51 113.53 2ddj n ALA 4 Ca -0.09 -1.89 0.13 0.00 0.00 0.00 0.00 53.44 51.59 2ddj n ALA 4 Cb 0.71 -2.45 0.60 0.00 0.00 0.00 0.00 19.45 18.31 2ddj n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 5 N 9.86 0.00 0.00 0.00 4.39 -1.92 -3.39 114.58 123.52 2ddj h GLU 5 Ca 0.09 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.79 2ddj h GLU 5 Cb 0.81 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.46 2ddj h GLU 5 CO 1.28 0.13 0.00 0.34 -1.16 0.00 0.00 179.01 179.60 2ddj n PHE 6 N -3.34 -1.52 -1.55 4.33 7.35 -1.26 -4.82 117.46 116.65 2ddj n PHE 6 Ca -0.00 0.00 -0.23 0.00 -0.76 0.00 0.00 57.45 56.46 2ddj n PHE 6 Cb 0.35 0.00 -0.07 0.00 0.35 0.00 0.00 39.48 40.11 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 -1.72 -0.03 -2.00 -2.13 -1.04 -1.26 -4.88 114.28 101.22 2ddj n THR 7 Ca 0.00 -0.58 -0.43 0.00 -2.04 0.00 0.00 64.05 61.00 2ddj n THR 7 Cb 0.00 -2.06 -0.03 0.00 -1.82 0.00 0.00 70.33 66.42 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 10.50 6.34 0.29 8.00 2.15 -1.26 -4.91 116.67 137.78 2ddj s ASP 8 Ca 1.00 1.85 0.04 0.00 0.43 0.00 0.00 52.55 55.87 2ddj s ASP 8 Cb -0.25 -2.53 0.74 0.00 -0.30 0.00 0.00 42.92 40.58 2ddj s ASP 8 CO 0.20 -1.26 1.68 0.00 -0.17 0.00 0.00 175.17 175.62 2ddj h ALA 9 N 10.98 1.42 -0.41 3.66 0.00 -1.89 -0.84 119.26 132.18 2ddj h ALA 9 Ca -0.37 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.76 2ddj h ALA 9 Cb 1.17 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2ddj h ALA 9 CO 0.98 -0.39 0.28 0.00 0.00 0.00 0.00 179.25 180.12 2ddj n VAL 11 N -4.48 0.00 -3.68 0.00 0.31 -0.42 -4.34 118.33 105.73 2ddj n VAL 11 Ca 0.05 -0.00 -0.37 0.00 -0.01 0.00 0.00 64.34 64.00 2ddj n VAL 11 Cb 0.20 0.74 -0.06 0.00 -0.91 0.00 0.00 33.84 33.80 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 -3.02 4.41 0.95 7.52 2.96 -0.58 -5.04 118.68 125.89 2ddj s LEU 12 Ca 0.09 0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 54.57 2ddj s LEU 12 Cb 0.16 -2.33 0.16 0.00 0.50 0.00 0.00 46.19 44.69 2ddj s LEU 12 CO 0.81 0.34 1.11 -2.16 -1.32 0.00 0.00 176.35 175.13 2ddj s PRO 13 N -0.89 0.79 0.30 0.98 0.04 -1.26 -4.71 135.00 130.25 2ddj s PRO 13 Ca 0.19 0.46 -0.07 0.00 0.04 0.00 0.00 61.00 61.62 2ddj s PRO 13 Cb -0.14 -1.78 -0.06 0.00 0.04 0.00 0.00 34.50 32.56 2ddj s PRO 13 CO 0.08 -2.47 0.60 0.00 0.04 0.00 0.00 177.00 175.24 2ddj s ALA 14 N -3.08 3.55 -0.01 8.56 0.00 -1.26 -4.52 121.76 125.00 2ddj s ALA 14 Ca 0.64 -0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.15 2ddj s ALA 14 Cb -0.17 -2.41 -0.00 0.00 0.00 0.00 0.00 23.12 20.54 2ddj s ALA 14 CO 0.56 0.25 0.06 0.08 0.00 0.00 0.00 175.76 176.71 2ddj s VAL 15 N -2.09 0.05 -0.03 0.00 1.01 -1.26 -4.97 120.40 113.11 2ddj s VAL 15 Ca 0.46 -0.43 -0.17 0.00 0.00 0.00 0.00 61.98 61.84 2ddj s VAL 15 Cb -0.11 -0.24 -0.10 0.00 0.00 0.00 0.00 36.38 35.94 2ddj s VAL 15 CO 0.28 -0.24 0.72 1.56 0.00 0.00 0.00 175.10 177.43 2ddj h GLN 16 N 5.20 -0.53 0.00 2.72 4.20 -1.90 -3.41 115.11 121.39 2ddj h GLN 16 Ca -0.28 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.46 2ddj h GLN 16 Cb 1.20 0.12 0.00 0.00 0.30 0.00 0.00 27.48 29.10 2ddj h GLN 16 CO 0.43 -0.31 0.00 0.41 -0.67 0.00 0.00 178.83 178.69 2ddj n GLY 17 N 0.29 1.86 0.00 3.46 0.00 -1.25 -0.55 105.19 109.00 2ddj n GLY 17 Ca -0.07 -2.10 0.11 0.00 0.00 0.00 0.00 46.02 43.96 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 0.29 0.30 -1.11 1.61 -0.04 -1.26 -4.86 135.00 129.91 2ddj n PRO 18 Ca 0.00 0.08 -0.29 0.00 -0.04 0.00 0.00 63.50 63.25 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 -4.64 0.22 -3.32 0.00 1.74 -1.26 -5.01 116.66 104.40 2ddj n ARG 20 Ca 0.15 -0.49 -0.29 0.00 -0.77 0.00 0.00 57.85 56.45 2ddj n ARG 20 Cb 0.57 -0.72 -0.04 0.00 -1.02 0.00 0.00 32.46 31.26 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 -0.16 1.96 -0.24 -0.13 0.00 -1.26 -5.08 107.32 102.40 2ddj s GLY 21 Ca 0.00 -0.47 -0.01 0.00 0.00 0.00 0.00 44.72 44.25 2ddj s GLY 21 CO 0.00 -0.35 0.02 -0.98 0.00 0.00 0.00 173.10 171.79 2ddj s TRP 22 N -2.05 1.83 -0.34 1.90 0.23 -1.26 -4.31 118.94 114.94 2ddj s TRP 22 Ca 0.45 -1.51 -0.18 0.00 -2.03 0.00 0.00 56.10 52.84 2ddj s TRP 22 Cb -0.11 -1.49 -0.01 0.00 0.03 0.00 0.00 33.47 31.89 2ddj s TRP 22 CO 0.28 -0.75 0.49 -2.00 0.96 0.00 0.00 176.95 175.93 2ddj s GLU 23 N 1.58 3.67 0.06 4.98 2.56 0.35 -4.93 118.70 126.98 2ddj s GLU 23 Ca 0.00 -0.14 -0.31 0.00 0.00 0.00 0.00 54.97 54.53 2ddj s GLU 23 Cb -0.18 -3.79 -0.07 0.00 2.00 0.00 0.00 34.13 32.10 2ddj s GLU 23 CO -0.11 -0.59 1.38 -1.25 -0.56 0.00 0.00 175.26 174.13 2ddj s PRO 24 N 2.33 4.31 0.44 4.30 0.04 -1.26 -0.94 135.00 144.22 2ddj s PRO 24 Ca 0.18 2.01 0.03 0.00 0.04 0.00 0.00 61.00 63.26 2ddj s PRO 24 Cb -0.16 -3.40 -0.02 0.00 0.04 0.00 0.00 34.50 30.97 2ddj s PRO 24 CO 0.13 -0.48 0.12 1.03 0.04 0.00 0.00 177.00 177.83 2ddj s ARG 25 N 1.67 2.02 -0.04 4.56 1.81 -0.46 -4.94 118.95 123.57 2ddj s ARG 25 Ca 0.64 -2.25 0.07 0.00 -1.72 0.00 0.00 55.73 52.46 2ddj s ARG 25 Cb -0.34 -0.72 -0.02 0.00 -0.45 0.00 0.00 34.95 33.43 2ddj s ARG 25 CO 0.29 -0.50 -0.24 -1.58 -0.68 0.00 0.00 175.30 172.58 2ddj s TRP 26 N -3.14 2.42 0.02 -0.53 0.52 -0.10 -0.14 118.94 118.00 2ddj s TRP 26 Ca 0.19 -0.53 0.02 0.00 0.02 0.00 0.00 56.10 55.80 2ddj s TRP 26 Cb 0.01 -1.56 -0.01 0.00 -1.15 0.00 0.00 33.47 30.76 2ddj s TRP 26 CO 0.13 -0.09 -0.06 0.00 0.02 0.00 0.00 176.95 176.95 2ddj s ALA 27 N -0.42 0.42 0.12 0.98 0.00 -0.41 -0.18 121.76 122.27 2ddj s ALA 27 Ca 0.04 -0.47 -0.30 0.00 0.00 0.00 0.00 51.96 51.23 2ddj s ALA 27 Cb -0.12 -0.01 -0.06 0.00 0.00 0.00 0.00 23.12 22.94 2ddj s ALA 27 CO 0.01 0.02 0.97 -0.47 0.00 0.00 0.00 175.76 176.29 2ddj s TYR 28 N -0.79 3.80 -0.25 0.00 5.04 -1.26 -1.21 117.35 122.68 2ddj s TYR 28 Ca -0.05 1.79 -0.00 0.00 -2.44 0.00 0.00 57.07 56.36 2ddj s TYR 28 Cb -0.06 -3.07 0.04 0.00 0.35 0.00 0.00 41.96 39.22 2ddj s TYR 28 CO -0.00 0.14 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.15 2ddj s SER 29 N -0.05 4.31 0.31 4.32 0.01 0.04 -4.91 113.70 117.73 2ddj s SER 29 Ca 0.47 -1.06 0.09 0.00 1.31 0.00 0.00 55.95 56.76 2ddj s SER 29 Cb -0.24 -1.62 0.51 0.00 0.21 0.00 0.00 66.02 64.88 2ddj s SER 29 CO 0.30 -0.15 1.71 1.55 0.41 0.00 0.00 173.24 177.06 2ddj h PRO 30 N 7.93 0.10 0.00 12.44 0.13 -1.82 0.13 132.00 150.91 2ddj h PRO 30 Ca -0.28 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 2ddj h PRO 30 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.22 2ddj h PRO 30 CO 0.54 0.54 0.00 -0.07 -0.23 0.00 0.00 178.00 178.78 2ddj h LEU 31 N 0.08 0.00 -0.77 1.56 4.07 -1.94 -1.03 115.31 117.28 2ddj h LEU 31 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 2ddj h LEU 31 Cb 0.85 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.59 2ddj h LEU 31 CO 0.06 0.00 -0.09 0.18 -1.08 0.00 0.00 178.44 177.51 2ddj n LEU 32 N -2.36 1.04 -1.55 1.67 4.77 -0.82 -5.00 117.00 114.75 2ddj n LEU 32 Ca -0.00 -0.81 -0.14 0.00 -0.03 0.00 0.00 56.01 55.03 2ddj n LEU 32 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.17 2ddj n LEU 32 CO 0.15 0.22 -0.14 1.67 -1.33 0.00 0.00 177.39 177.96 2ddj n GLN 33 N -0.21 -1.42 -3.78 3.23 7.27 0.33 -4.89 117.38 117.90 2ddj n GLN 33 Ca 0.03 0.79 -0.09 0.00 0.07 0.00 0.00 57.00 57.80 2ddj n GLN 33 Cb 0.13 -5.10 -0.03 0.00 2.41 0.00 0.00 30.24 27.65 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 -3.43 1.56 0.46 3.69 0.74 -0.53 -4.87 119.66 117.29 2ddj s GLN 34 Ca 0.00 -0.92 -0.11 0.00 0.05 0.00 0.00 55.36 54.38 2ddj s GLN 34 Cb 0.00 0.56 -0.06 0.00 1.10 0.00 0.00 33.01 34.61 2ddj s GLN 34 CO 0.00 -0.69 0.85 0.00 -0.55 0.00 0.00 175.29 174.90 2ddj s HIS 36 N -2.57 -0.02 0.92 0.00 -3.43 -0.35 -4.91 115.29 104.94 2ddj s HIS 36 Ca 0.53 -0.24 -0.10 0.00 -0.80 0.00 0.00 55.06 54.44 2ddj s HIS 36 Cb -0.10 0.05 0.15 0.00 -1.43 0.00 0.00 32.58 31.25 2ddj s HIS 36 CO 0.36 -0.53 1.13 -2.14 -2.00 0.00 0.00 174.74 171.56 2ddj s PRO 37 N -3.10 0.99 0.21 -0.38 0.02 -1.26 -1.29 135.00 130.19 2ddj s PRO 37 Ca -0.01 1.42 -0.20 0.00 0.02 0.00 0.00 61.00 62.23 2ddj s PRO 37 Cb 0.01 -1.73 0.04 0.00 0.02 0.00 0.00 34.50 32.83 2ddj s PRO 37 CO -0.07 -2.61 0.61 -0.59 -0.33 0.00 0.00 177.00 174.01 2ddj s PHE 38 N -2.67 -0.24 -0.06 6.54 -0.71 0.80 -4.78 117.98 116.86 2ddj s PHE 38 Ca 0.66 -0.10 -0.23 0.00 -1.04 0.00 0.00 56.93 56.22 2ddj s PHE 38 Cb -0.22 0.53 -0.04 0.00 -1.21 0.00 0.00 43.02 42.08 2ddj s PHE 38 CO 0.58 -1.00 0.69 0.08 -1.34 0.00 0.00 175.22 174.23 2ddj s VAL 39 N -3.86 5.03 0.25 -2.49 1.01 -1.26 -1.35 120.40 117.72 2ddj s VAL 39 Ca 0.08 1.43 0.04 0.00 0.00 0.00 0.00 61.98 63.53 2ddj s VAL 39 Cb -0.03 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.27 2ddj s VAL 39 CO -0.02 0.27 -0.01 -0.47 0.00 0.00 0.00 175.10 174.86 2ddj s TYR 40 N 0.69 1.68 -0.30 5.22 5.04 -0.11 -4.11 117.35 125.46 2ddj s TYR 40 Ca 0.37 -0.87 0.03 0.00 -2.44 0.00 0.00 57.07 54.15 2ddj s TYR 40 Cb -0.18 -0.98 0.03 0.00 0.35 0.00 0.00 41.96 41.18 2ddj s TYR 40 CO 0.18 0.04 0.65 0.41 -1.34 0.00 0.00 175.55 175.50 2ddj n GLY 41 N -0.47 -0.59 3.12 8.97 0.00 0.29 -0.49 105.19 116.01 2ddj n GLY 41 Ca -0.05 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.08 2.05 1.21 -0.02 0.00 -1.26 -4.72 105.19 102.53 2ddj n GLY 42 Ca 0.02 -0.10 -0.09 0.00 0.00 0.00 0.00 46.02 45.85 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 -2.03 0.00 -2.28 0.00 4.71 -1.26 -4.87 120.64 114.90 2ddj n GLU 44 Ca 0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.20 2ddj n GLU 44 Cb 0.19 -0.94 0.01 0.00 -1.01 0.00 0.00 31.44 29.69 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 1.21 0.98 4.00 0.62 0.00 -1.26 -3.77 105.19 106.97 2ddj n GLY 45 Ca 0.14 -0.98 -0.23 0.00 0.00 0.00 0.00 46.02 44.95 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 -1.82 4.60 0.13 1.61 -0.87 -1.26 -5.00 114.94 112.32 2ddj s ASN 46 Ca 0.08 -0.40 0.27 0.00 -1.57 0.00 0.00 52.86 51.24 2ddj s ASN 46 Cb -0.01 -0.08 0.90 0.00 -0.02 0.00 0.00 41.25 42.04 2ddj s ASN 46 CO 0.01 -1.68 1.78 0.61 -2.57 0.00 0.00 177.10 175.25 2ddj n GLY 47 N -2.67 -1.61 3.08 0.66 0.00 -1.26 -4.18 105.19 99.21 2ddj n GLY 47 Ca 0.14 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 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 -1.99 4.49 -3.51 1.61 2.85 -1.26 -4.82 115.26 112.64 2ddj n ASN 48 Ca 0.06 -2.91 -0.14 0.00 -0.11 0.00 0.00 54.58 51.48 2ddj n ASN 48 Cb 0.40 -1.66 -0.11 0.00 1.24 0.00 0.00 39.78 39.65 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 3.17 0.69 0.19 1.20 3.84 -1.26 -4.60 114.94 118.17 2ddj s ASN 49 Ca 0.48 0.19 0.08 0.00 0.21 0.00 0.00 52.86 53.82 2ddj s ASN 49 Cb 0.09 0.73 -0.04 0.00 -0.55 0.00 0.00 41.25 41.48 2ddj s ASN 49 CO -0.02 -0.29 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.48 2ddj s PHE 50 N 2.43 1.81 -0.93 0.43 0.08 0.74 -4.93 117.98 117.62 2ddj s PHE 50 Ca 0.07 -0.50 0.23 0.00 0.12 0.00 0.00 56.93 56.85 2ddj s PHE 50 Cb -0.14 -0.87 0.19 0.00 -0.57 0.00 0.00 43.02 41.63 2ddj s PHE 50 CO -0.12 0.38 1.18 0.72 -0.10 0.00 0.00 175.22 177.28 2ddj n HIS 51 N -0.07 0.05 -3.81 0.36 8.25 -1.26 -0.92 115.22 117.82 2ddj n HIS 51 Ca -0.10 0.02 -0.05 0.00 -0.26 0.00 0.00 57.72 57.32 2ddj n HIS 51 Cb 0.59 -0.21 -0.00 0.00 1.12 0.00 0.00 29.99 31.48 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 -3.18 -0.14 0.08 0.41 1.04 -1.26 -4.89 113.70 105.75 2ddj s SER 52 Ca 0.09 -0.63 -0.24 0.00 0.48 0.00 0.00 55.95 55.65 2ddj s SER 52 Cb 0.16 0.63 -0.16 0.00 0.10 0.00 0.00 66.02 66.75 2ddj s SER 52 CO 0.77 -1.19 1.69 -0.09 0.98 0.00 0.00 173.24 175.40 2ddj h ARG 53 N 2.00 -0.04 -0.13 4.02 9.65 -1.98 -2.85 114.38 125.05 2ddj h ARG 53 Ca -0.24 0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.65 2ddj h ARG 53 Cb 1.24 0.01 -0.03 0.00 -1.39 0.00 0.00 29.97 29.80 2ddj h ARG 53 CO 0.29 0.02 -0.18 1.49 2.80 0.00 0.00 179.97 184.39 2ddj h GLU 54 N -0.09 -0.13 -0.43 0.20 4.81 -1.98 0.59 114.58 117.56 2ddj h GLU 54 Ca -0.00 0.01 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 2ddj h GLU 54 Cb 0.08 0.03 -0.02 0.00 0.63 0.00 0.00 28.75 29.47 2ddj h GLU 54 CO 0.01 -0.09 0.28 0.66 -0.73 0.00 0.00 179.01 179.14 2ddj h SER 55 N -0.14 0.45 -0.38 1.04 4.64 -1.95 -0.14 113.55 117.07 2ddj h SER 55 Ca 0.02 -0.01 -0.09 0.00 -0.47 0.00 0.00 61.79 61.24 2ddj h SER 55 Cb 0.20 -0.11 -0.01 0.00 -0.31 0.00 0.00 62.40 62.17 2ddj h SER 55 CO -0.19 0.32 -0.12 0.00 -0.87 0.00 0.00 176.83 175.97 2ddj h GLU 57 N 0.56 0.50 -0.37 0.00 5.08 0.49 -1.33 114.58 119.51 2ddj h GLU 57 Ca 0.09 -0.08 -0.08 0.00 -1.00 0.00 0.00 59.36 58.30 2ddj h GLU 57 Cb 0.65 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 2ddj h GLU 57 CO 0.04 0.47 -0.09 0.22 -1.00 0.00 0.00 179.01 178.65 2ddj h ASP 58 N 0.49 0.60 -0.15 1.42 3.58 -0.75 -2.58 116.42 119.04 2ddj h ASP 58 Ca 0.12 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.43 2ddj h ASP 58 Cb 0.20 -0.16 -0.03 0.00 1.72 0.00 0.00 39.33 41.06 2ddj h ASP 58 CO -0.00 0.74 -0.02 0.00 -2.88 0.00 0.00 179.24 177.08 2ddj h ALA 59 N 1.33 0.11 -1.68 -0.78 0.00 -0.20 0.31 119.26 118.35 2ddj h ALA 59 Ca 0.11 0.05 0.08 0.00 0.00 0.00 0.00 54.91 55.14 2ddj h ALA 59 Cb 0.50 0.09 -0.22 0.00 0.00 0.00 0.00 17.79 18.17 2ddj h ALA 59 CO 0.03 -0.46 0.52 0.00 0.00 0.00 0.00 179.25 179.34 2ddj s PRO 61 N -1.42 3.78 0.00 0.00 0.04 -1.17 -3.88 135.00 132.36 2ddj s PRO 61 Ca -0.01 0.14 0.00 0.00 0.04 0.00 0.00 61.00 61.16 2ddj s PRO 61 Cb -0.01 -3.77 0.00 0.00 0.04 0.00 0.00 34.50 30.77 2ddj s PRO 61 CO 0.01 -0.63 0.00 0.28 0.04 0.00 0.00 177.00 176.69 2ddj n VAL 62 N 5.46 0.00 -1.68 -0.36 0.31 -1.26 -4.93 118.33 115.87 2ddj n VAL 62 Ca -0.02 0.00 -0.43 0.00 -0.01 0.00 0.00 64.34 63.88 2ddj n VAL 62 Cb 0.49 0.00 -0.01 0.00 -0.91 0.00 0.00 33.84 33.40 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 1.69 -2.06 2.52 0.31 -1.26 -4.89 118.33 114.64 2ddj n VAL 63 Ca 0.00 -0.42 -0.41 0.00 -0.01 0.00 0.00 64.34 63.50 2ddj n VAL 63 Cb 0.00 -1.48 -0.02 0.00 -0.91 0.00 0.00 33.84 31.44 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 -0.16 6.69 -0.78 4.52 2.15 -1.26 -4.34 116.67 123.50 2ddj s ASP 64 Ca 0.59 2.74 -0.25 0.00 0.43 0.00 0.00 52.55 56.06 2ddj s ASP 64 Cb -0.61 -2.65 -0.04 0.00 -0.30 0.00 0.00 42.92 39.32 2ddj s ASP 64 CO 0.58 -0.61 1.93 -1.00 -0.17 0.00 0.00 175.17 175.91 2ddj s HIS 65 N -0.99 1.72 0.35 -5.34 3.76 -1.25 -4.85 115.29 108.69 2ddj s HIS 65 Ca 0.51 0.74 0.30 0.00 -0.15 0.00 0.00 55.06 56.46 2ddj s HIS 65 Cb -0.41 -4.04 1.13 0.00 1.11 0.00 0.00 32.58 30.37 2ddj s HIS 65 CO 0.53 -1.98 1.07 0.72 -0.85 0.00 0.00 174.74 174.24 2ddj n HIS 66 N 13.66 0.19 -1.64 1.40 -0.00 -1.26 -4.47 115.22 123.11 2ddj n HIS 66 Ca 0.33 0.19 -0.15 0.00 -0.00 0.00 0.00 57.72 58.09 2ddj n HIS 66 Cb 0.49 -0.56 -0.09 0.00 -0.00 0.00 0.00 29.99 29.83 2ddj n HIS 66 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ddj s HIS 67 N -4.46 1.25 0.11 4.41 -3.43 -1.26 -4.87 115.29 107.04 2ddj s HIS 67 Ca -0.04 2.06 -0.01 0.00 -0.80 0.00 0.00 55.06 56.27 2ddj s HIS 67 Cb 0.20 -3.42 -0.04 0.00 -1.43 0.00 0.00 32.58 27.89 2ddj s HIS 67 CO 0.59 -1.02 0.03 -1.01 -2.00 0.00 0.00 174.74 171.33 2ddj s HIS 68 N 15.77 0.78 0.00 0.38 4.02 -1.26 -5.03 115.29 129.95 2ddj s HIS 68 Ca 0.84 -1.18 0.00 0.00 1.02 0.00 0.00 55.06 55.74 2ddj s HIS 68 Cb -0.07 -0.47 0.00 0.00 -1.02 0.00 0.00 32.58 31.02 2ddj s HIS 68 CO 0.14 -0.47 0.00 1.58 1.02 0.00 0.00 174.74 177.01 2ddj n HIS 69 N -0.04 0.00 -1.71 1.40 -0.00 -1.26 -5.26 115.22 108.34 2ddj n HIS 69 Ca -0.08 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.10 2ddj n HIS 69 Cb 0.63 0.01 0.00 0.00 -0.12 0.00 0.00 29.99 30.51 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38