#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 2.60 -0.02 4.31 0.00 -1.26 -4.15 120.51 121.99 2ddj n ALA 2 Ca 0.00 -2.43 0.16 0.00 0.00 0.00 0.00 53.44 51.17 2ddj n ALA 2 Cb 0.00 -0.83 0.25 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.44 0.02 -1.43 0.00 -0.58 -1.26 -4.80 120.64 112.16 2ddj n GLU 3 Ca 0.03 0.91 -0.33 0.00 -0.42 0.00 0.00 57.16 57.36 2ddj n GLU 3 Cb 0.88 -2.33 0.08 0.00 -0.57 0.00 0.00 31.44 29.50 2ddj n GLU 3 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2ddj s ALA 4 N -4.05 2.19 -0.07 0.62 0.00 -1.26 -4.88 121.76 114.31 2ddj s ALA 4 Ca -0.02 0.59 0.16 0.00 0.00 0.00 0.00 51.96 52.70 2ddj s ALA 4 Cb 0.08 -3.37 -0.24 0.00 0.00 0.00 0.00 23.12 19.60 2ddj s ALA 4 CO 0.27 -1.74 0.26 0.39 0.00 0.00 0.00 175.76 174.93 2ddj n GLU 5 N -2.96 0.85 -0.21 0.00 4.71 -1.26 -4.81 120.64 116.96 2ddj n GLU 5 Ca 0.11 -0.10 0.00 0.00 -0.01 0.00 0.00 57.16 57.16 2ddj n GLU 5 Cb 0.52 -1.40 0.00 0.00 -1.01 0.00 0.00 31.44 29.55 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 -2.26 -2.74 -1.53 -0.32 7.35 -1.26 -4.92 117.46 111.78 2ddj n PHE 6 Ca -0.11 0.00 -0.25 0.00 -0.76 0.00 0.00 57.45 56.33 2ddj n PHE 6 Cb 0.64 0.00 -0.11 0.00 0.35 0.00 0.00 39.48 40.36 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 -1.27 -0.02 -1.00 -2.13 -1.04 -1.26 -4.92 114.28 102.64 2ddj n THR 7 Ca 0.00 -0.50 -0.30 0.00 -2.04 0.00 0.00 64.05 61.21 2ddj n THR 7 Cb 0.00 -1.52 0.16 0.00 -1.82 0.00 0.00 70.33 67.15 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 8.48 3.03 0.38 8.00 2.15 -1.26 -4.79 116.67 132.66 2ddj s ASP 8 Ca 1.10 1.65 0.14 0.00 0.43 0.00 0.00 52.55 55.87 2ddj s ASP 8 Cb -0.48 -2.29 0.99 0.00 -0.30 0.00 0.00 42.92 40.84 2ddj s ASP 8 CO 0.30 -2.94 1.80 0.00 -0.17 0.00 0.00 175.17 174.16 2ddj h ALA 9 N -1.76 2.06 0.00 3.66 0.00 -1.90 0.53 119.26 121.85 2ddj h ALA 9 Ca -0.50 0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 2ddj h ALA 9 Cb 1.28 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.05 2ddj h ALA 9 CO 0.51 -0.41 -0.15 0.00 0.00 0.00 0.00 179.25 179.20 2ddj n VAL 11 N -4.27 0.00 -4.16 0.00 0.31 0.09 -4.50 118.33 105.80 2ddj n VAL 11 Ca -0.02 -0.11 -0.32 0.00 -0.01 0.00 0.00 64.34 63.87 2ddj n VAL 11 Cb 0.22 0.85 -0.08 0.00 -0.91 0.00 0.00 33.84 33.93 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 -2.74 3.73 0.90 7.52 2.96 -0.64 -4.92 118.68 125.49 2ddj s LEU 12 Ca 0.15 0.06 -0.12 0.00 -0.22 0.00 0.00 54.13 54.00 2ddj s LEU 12 Cb 0.18 -2.20 0.13 0.00 0.50 0.00 0.00 46.19 44.79 2ddj s LEU 12 CO 0.68 0.26 1.10 -2.16 -1.32 0.00 0.00 176.35 174.90 2ddj s PRO 13 N -1.78 1.24 -0.24 0.98 0.04 -1.26 -4.80 135.00 129.18 2ddj s PRO 13 Ca 0.23 0.72 -0.29 0.00 0.04 0.00 0.00 61.00 61.69 2ddj s PRO 13 Cb -0.12 -1.81 -0.03 0.00 0.04 0.00 0.00 34.50 32.58 2ddj s PRO 13 CO 0.14 -2.23 1.67 0.00 0.04 0.00 0.00 177.00 176.62 2ddj s ALA 14 N -2.99 3.19 -0.20 8.56 0.00 -1.26 -4.63 121.76 124.43 2ddj s ALA 14 Ca 0.63 0.45 -0.20 0.00 0.00 0.00 0.00 51.96 52.85 2ddj s ALA 14 Cb -0.17 -3.89 -0.03 0.00 0.00 0.00 0.00 23.12 19.03 2ddj s ALA 14 CO 0.56 -2.10 0.57 0.08 0.00 0.00 0.00 175.76 174.88 2ddj s VAL 15 N 5.58 5.07 -0.16 0.00 1.01 -1.26 -4.94 120.40 125.70 2ddj s VAL 15 Ca 0.74 1.06 0.18 0.00 0.00 0.00 0.00 61.98 63.96 2ddj s VAL 15 Cb -0.25 -3.89 -0.06 0.00 0.00 0.00 0.00 36.38 32.18 2ddj s VAL 15 CO 0.31 0.15 0.99 1.56 0.00 0.00 0.00 175.10 178.11 2ddj h GLN 16 N 7.45 0.00 0.00 2.72 4.20 -1.87 -3.44 115.11 124.16 2ddj h GLN 16 Ca -0.33 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2ddj h GLN 16 Cb 1.15 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.93 2ddj h GLN 16 CO 0.75 0.24 0.00 0.41 -0.67 0.00 0.00 178.83 179.57 2ddj n GLY 17 N 1.31 -1.52 0.00 3.46 0.00 -1.24 -0.52 105.19 106.68 2ddj n GLY 17 Ca -0.05 -1.56 0.15 0.00 0.00 0.00 0.00 46.02 44.55 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 -1.92 0.58 -1.04 1.61 -0.04 -1.26 -4.82 135.00 128.11 2ddj n PRO 18 Ca 0.00 0.00 -0.28 0.00 -0.04 0.00 0.00 63.50 63.18 2ddj n PRO 18 Cb 0.00 -1.50 0.23 0.00 -0.04 0.00 0.00 33.50 32.19 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 -4.56 0.32 -3.11 0.00 3.00 -1.26 -4.97 116.66 106.08 2ddj n ARG 20 Ca 0.14 -0.59 -0.30 0.00 -0.01 0.00 0.00 57.85 57.09 2ddj n ARG 20 Cb 0.55 -0.78 -0.04 0.00 0.00 0.00 0.00 32.46 32.19 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 -0.22 1.99 -0.26 -0.13 0.00 -1.26 -5.08 107.32 102.36 2ddj s GLY 21 Ca 0.00 -0.31 0.01 0.00 0.00 0.00 0.00 44.72 44.42 2ddj s GLY 21 CO 0.00 -0.15 -0.01 -0.98 0.00 0.00 0.00 173.10 171.96 2ddj s TRP 22 N -2.17 2.47 -0.31 1.90 0.23 -1.26 -4.17 118.94 115.62 2ddj s TRP 22 Ca 0.49 -1.93 -0.08 0.00 -2.03 0.00 0.00 56.10 52.55 2ddj s TRP 22 Cb -0.11 -1.80 0.01 0.00 0.03 0.00 0.00 33.47 31.60 2ddj s TRP 22 CO 0.28 -0.82 0.11 -2.00 0.96 0.00 0.00 176.95 175.49 2ddj s GLU 23 N 1.36 3.05 0.10 4.98 2.56 0.58 -4.94 118.70 126.39 2ddj s GLU 23 Ca -0.00 -0.89 -0.31 0.00 0.00 0.00 0.00 54.97 53.76 2ddj s GLU 23 Cb -0.19 -3.47 -0.08 0.00 2.00 0.00 0.00 34.13 32.40 2ddj s GLU 23 CO -0.10 -0.50 1.41 -1.25 -0.56 0.00 0.00 175.26 174.26 2ddj s PRO 24 N 1.52 4.31 0.38 4.30 0.04 -1.26 -1.10 135.00 143.19 2ddj s PRO 24 Ca 0.02 2.08 0.04 0.00 0.04 0.00 0.00 61.00 63.19 2ddj s PRO 24 Cb -0.18 -3.30 -0.02 0.00 0.04 0.00 0.00 34.50 31.05 2ddj s PRO 24 CO 0.04 -0.47 0.15 0.54 0.04 0.00 0.00 177.00 177.30 2ddj n ARG 25 N 4.20 0.57 -4.98 4.56 5.12 -0.55 -4.92 116.66 120.66 2ddj n ARG 25 Ca 0.12 -3.27 -0.30 0.00 -1.93 0.00 0.00 57.85 52.47 2ddj n ARG 25 Cb 0.42 1.87 -0.15 0.00 -1.16 0.00 0.00 32.46 33.44 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 -3.04 2.26 0.01 -1.55 0.52 -0.33 -0.14 118.94 116.67 2ddj s TRP 26 Ca 0.21 -0.41 -0.01 0.00 0.02 0.00 0.00 56.10 55.92 2ddj s TRP 26 Cb 0.01 -1.38 -0.01 0.00 -1.15 0.00 0.00 33.47 30.94 2ddj s TRP 26 CO 0.15 0.08 0.00 0.00 0.02 0.00 0.00 176.95 177.20 2ddj s ALA 27 N -0.75 0.02 0.15 0.98 0.00 -0.37 -0.15 121.76 121.64 2ddj s ALA 27 Ca 0.11 -0.26 -0.30 0.00 0.00 0.00 0.00 51.96 51.51 2ddj s ALA 27 Cb -0.10 0.06 -0.07 0.00 0.00 0.00 0.00 23.12 23.02 2ddj s ALA 27 CO 0.01 -0.09 0.96 -0.47 0.00 0.00 0.00 175.76 176.17 2ddj s TYR 28 N -0.73 3.85 -0.25 0.00 5.04 -1.26 -1.44 117.35 122.56 2ddj s TYR 28 Ca -0.08 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.38 2ddj s TYR 28 Cb -0.05 -3.04 0.04 0.00 0.35 0.00 0.00 41.96 39.26 2ddj s TYR 28 CO -0.00 0.25 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.26 2ddj s SER 29 N -0.30 4.31 0.30 4.32 0.01 0.01 -4.76 113.70 117.58 2ddj s SER 29 Ca 0.45 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.70 2ddj s SER 29 Cb -0.24 -1.61 0.46 0.00 0.21 0.00 0.00 66.02 64.84 2ddj s SER 29 CO 0.31 -0.15 1.71 1.55 0.41 0.00 0.00 173.24 177.06 2ddj h PRO 30 N 7.93 0.24 0.00 12.44 0.13 -1.82 0.82 132.00 151.73 2ddj h PRO 30 Ca -0.28 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 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 0.61 0.00 1.28 -0.23 0.00 0.00 178.00 180.20 2ddj n LEU 31 N -4.03 0.42 -0.13 1.56 4.77 -1.26 -1.27 117.00 117.05 2ddj n LEU 31 Ca -0.01 0.64 0.02 0.00 -0.03 0.00 0.00 56.01 56.63 2ddj n LEU 31 Cb 0.47 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.94 2ddj n LEU 31 CO 0.42 -0.60 0.20 0.18 -1.33 0.00 0.00 177.39 176.26 2ddj n LEU 32 N -2.00 0.97 -3.28 2.23 4.77 -0.85 -5.01 117.00 113.83 2ddj n LEU 32 Ca 0.01 -0.81 -0.21 0.00 -0.03 0.00 0.00 56.01 54.97 2ddj n LEU 32 Cb 0.13 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 2ddj n LEU 32 CO 0.13 0.21 -0.06 1.67 -1.33 0.00 0.00 177.39 178.01 2ddj n GLN 33 N -0.24 -2.95 -3.68 3.23 7.27 0.19 -4.89 117.38 116.31 2ddj n GLN 33 Ca 0.02 0.39 -0.07 0.00 0.07 0.00 0.00 57.00 57.42 2ddj n GLN 33 Cb 0.11 -5.05 -0.02 0.00 2.41 0.00 0.00 30.24 27.70 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 -5.91 1.27 0.20 3.69 0.74 -0.66 -4.63 119.66 114.37 2ddj s GLN 34 Ca 0.35 -0.64 -0.08 0.00 0.05 0.00 0.00 55.36 55.05 2ddj s GLN 34 Cb -0.19 0.48 -0.07 0.00 1.10 0.00 0.00 33.01 34.33 2ddj s GLN 34 CO 0.44 -0.58 0.49 0.00 -0.55 0.00 0.00 175.29 175.09 2ddj s HIS 36 N -1.77 0.34 0.85 0.00 -3.43 -0.52 -4.95 115.29 105.82 2ddj s HIS 36 Ca 0.45 -0.72 -0.11 0.00 -0.80 0.00 0.00 55.06 53.88 2ddj s HIS 36 Cb -0.11 -0.25 0.10 0.00 -1.43 0.00 0.00 32.58 30.89 2ddj s HIS 36 CO 0.22 -0.31 1.10 -1.25 -2.00 0.00 0.00 174.74 172.50 2ddj s PRO 37 N -2.69 1.59 0.25 -0.38 0.05 -1.26 -1.24 135.00 131.32 2ddj s PRO 37 Ca -0.04 1.14 -0.20 0.00 0.05 0.00 0.00 61.00 61.96 2ddj s PRO 37 Cb -0.01 -1.82 0.02 0.00 0.05 0.00 0.00 34.50 32.74 2ddj s PRO 37 CO -0.05 -2.11 0.65 -0.59 0.05 0.00 0.00 177.00 174.95 2ddj s PHE 38 N -2.84 -0.13 -0.33 0.56 -0.71 0.80 -4.79 117.98 110.54 2ddj s PHE 38 Ca 0.63 -0.28 -0.19 0.00 -1.04 0.00 0.00 56.93 56.05 2ddj s PHE 38 Cb -0.19 0.58 -0.01 0.00 -1.21 0.00 0.00 43.02 42.19 2ddj s PHE 38 CO 0.57 -1.13 0.58 0.08 -1.34 0.00 0.00 175.22 173.99 2ddj s VAL 39 N -3.91 4.96 0.45 -2.49 1.01 -1.26 -1.49 120.40 117.67 2ddj s VAL 39 Ca 0.12 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.78 2ddj s VAL 39 Cb -0.04 -3.99 -0.04 0.00 0.00 0.00 0.00 36.38 32.31 2ddj s VAL 39 CO 0.04 -0.19 0.12 -0.47 0.00 0.00 0.00 175.10 174.60 2ddj s TYR 40 N 2.55 2.28 0.00 5.22 5.04 -0.26 -4.57 117.35 127.60 2ddj s TYR 40 Ca 0.23 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.12 2ddj s TYR 40 Cb -0.15 -1.82 0.00 0.00 0.35 0.00 0.00 41.96 40.34 2ddj s TYR 40 CO 0.13 0.18 0.81 0.41 -1.34 0.00 0.00 175.55 175.74 2ddj n GLY 41 N -1.24 1.16 3.38 8.97 0.00 0.32 -0.31 105.19 117.47 2ddj n GLY 41 Ca -0.07 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.32 2.30 1.20 -0.02 0.00 -1.26 -4.69 105.19 102.39 2ddj n GLY 42 Ca 0.00 -0.03 -0.10 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.12 0.00 -3.63 0.00 4.71 -1.26 -4.80 120.64 113.54 2ddj n GLU 44 Ca 0.05 0.00 -0.10 0.00 -0.01 0.00 0.00 57.16 57.10 2ddj n GLU 44 Cb 0.19 -0.91 -0.03 0.00 -1.01 0.00 0.00 31.44 29.67 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 -0.29 0.16 0.62 0.00 -1.26 -3.61 107.32 102.66 2ddj s GLY 45 Ca 0.56 0.03 0.00 0.00 0.00 0.00 0.00 44.72 45.32 2ddj s GLY 45 CO 0.40 -0.11 0.22 0.70 0.00 0.00 0.00 173.10 174.31 2ddj n ASN 46 N -0.35 0.35 -0.03 1.64 4.13 -1.26 -5.00 115.26 114.74 2ddj n ASN 46 Ca -0.12 -1.29 0.16 0.00 1.68 0.00 0.00 54.58 55.00 2ddj n ASN 46 Cb 0.63 -0.14 0.59 0.00 -1.54 0.00 0.00 39.78 39.33 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 -0.10 0.30 -5.95 7.41 0.00 -1.95 -3.31 103.07 99.46 2ddj h GLY 47 Ca -0.07 -0.08 -0.71 0.00 0.00 0.00 0.00 47.33 46.46 2ddj h GLY 47 CO 0.08 0.04 3.09 -2.01 0.00 0.00 0.00 176.54 177.75 2ddj n ASN 48 N -4.44 4.43 -3.60 0.19 2.85 -1.26 -4.71 115.26 108.72 2ddj n ASN 48 Ca 0.09 -2.85 -0.23 0.00 -0.11 0.00 0.00 54.58 51.49 2ddj n ASN 48 Cb 0.47 -1.63 -0.16 0.00 1.24 0.00 0.00 39.78 39.70 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 2.86 1.81 0.16 1.20 3.84 -1.25 -4.04 114.94 119.53 2ddj s ASN 49 Ca 0.48 -0.33 0.09 0.00 0.21 0.00 0.00 52.86 53.31 2ddj s ASN 49 Cb 0.14 -0.06 -0.04 0.00 -0.55 0.00 0.00 41.25 40.74 2ddj s ASN 49 CO -0.08 -0.32 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.42 2ddj s PHE 50 N 2.19 2.58 -1.00 0.43 0.08 0.79 -4.95 117.98 118.11 2ddj s PHE 50 Ca 0.03 -0.24 0.23 0.00 0.12 0.00 0.00 56.93 57.08 2ddj s PHE 50 Cb -0.15 -1.29 0.17 0.00 -0.57 0.00 0.00 43.02 41.18 2ddj s PHE 50 CO -0.08 0.48 1.18 0.72 -0.10 0.00 0.00 175.22 177.42 2ddj n HIS 51 N 0.26 0.00 -3.74 0.36 8.25 -1.26 -1.19 115.22 117.91 2ddj n HIS 51 Ca -0.12 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.29 2ddj n HIS 51 Cb 0.55 -0.14 -0.02 0.00 1.12 0.00 0.00 29.99 31.50 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 -3.00 -0.23 0.13 0.41 1.04 -1.26 -4.88 113.70 105.91 2ddj s SER 52 Ca 0.10 -0.39 -0.17 0.00 0.48 0.00 0.00 55.95 55.97 2ddj s SER 52 Cb 0.17 0.53 -0.02 0.00 0.10 0.00 0.00 66.02 66.79 2ddj s SER 52 CO 0.78 -0.96 1.67 -0.09 0.98 0.00 0.00 173.24 175.62 2ddj h ARG 53 N 2.00 0.54 -0.17 4.02 9.65 -1.98 -2.96 114.38 125.48 2ddj h ARG 53 Ca -0.23 -0.10 0.02 0.00 -1.10 0.00 0.00 59.98 58.57 2ddj h ARG 53 Cb 1.24 -0.09 -0.03 0.00 -1.39 0.00 0.00 29.97 29.70 2ddj h ARG 53 CO 0.26 0.52 -0.18 1.49 2.80 0.00 0.00 179.97 184.86 2ddj h GLU 54 N 0.44 -0.10 -0.58 0.20 4.22 -1.98 0.82 114.58 117.60 2ddj h GLU 54 Ca 0.12 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.55 2ddj h GLU 54 Cb 0.18 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2ddj h GLU 54 CO -0.01 -0.06 0.30 0.66 -2.18 0.00 0.00 179.01 177.71 2ddj h SER 55 N -0.10 0.72 0.22 1.04 4.64 -1.95 0.24 113.55 118.35 2ddj h SER 55 Ca 0.03 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.28 2ddj h SER 55 Cb 0.18 -0.18 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2ddj h SER 55 CO -0.22 0.59 -0.11 0.00 -0.87 0.00 0.00 176.83 176.23 2ddj h GLU 57 N -0.50 0.44 -0.91 0.00 4.39 -0.20 0.24 114.58 118.04 2ddj h GLU 57 Ca -0.03 -0.08 0.02 0.00 0.34 0.00 0.00 59.36 59.61 2ddj h GLU 57 Cb 0.38 -0.07 -0.05 0.00 -0.10 0.00 0.00 28.75 28.91 2ddj h GLU 57 CO 0.05 0.47 0.60 0.22 -1.16 0.00 0.00 179.01 179.19 2ddj h ASP 58 N 0.42 1.02 0.60 1.42 1.82 -0.81 -2.80 116.42 118.10 2ddj h ASP 58 Ca 0.09 -0.02 -0.03 0.00 -0.39 0.00 0.00 57.03 56.68 2ddj h ASP 58 Cb 0.28 -0.25 0.01 0.00 0.68 0.00 0.00 39.33 40.05 2ddj h ASP 58 CO 0.01 0.72 -0.29 0.00 -1.61 0.00 0.00 179.24 178.07 2ddj h ALA 59 N 1.45 -1.03 -2.90 -0.78 0.00 0.28 0.16 119.26 116.44 2ddj h ALA 59 Ca 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 55.05 2ddj h ALA 59 Cb -0.07 0.31 -0.12 0.00 0.00 0.00 0.00 17.79 17.91 2ddj h ALA 59 CO -0.09 -0.97 0.09 0.00 0.00 0.00 0.00 179.25 178.29 2ddj n PRO 61 N -0.32 0.92 -2.64 0.00 -0.04 -1.23 -3.58 135.00 128.11 2ddj n PRO 61 Ca -0.15 0.00 -0.21 0.00 -0.04 0.00 0.00 63.50 63.09 2ddj n PRO 61 Cb 0.64 -1.16 0.04 0.00 -0.04 0.00 0.00 33.50 32.98 2ddj n PRO 61 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ddj s VAL 62 N -2.00 2.75 0.14 0.52 1.01 -1.08 -5.01 120.40 116.73 2ddj s VAL 62 Ca 0.14 -0.63 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2ddj s VAL 62 Cb 0.06 -3.04 -0.07 0.00 0.00 0.00 0.00 36.38 33.33 2ddj s VAL 62 CO 0.11 -0.03 1.21 -0.69 0.00 0.00 0.00 175.10 175.70 2ddj s VAL 63 N -2.78 3.72 1.12 2.92 1.01 -1.26 -4.85 120.40 120.28 2ddj s VAL 63 Ca 0.57 1.35 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 2ddj s VAL 63 Cb -0.10 -3.86 0.25 0.00 0.00 0.00 0.00 36.38 32.66 2ddj s VAL 63 CO 0.39 0.17 1.08 -0.62 0.00 0.00 0.00 175.10 176.11 2ddj s ASP 64 N 0.51 1.57 -0.11 3.32 2.15 -1.26 -4.86 116.67 117.99 2ddj s ASP 64 Ca 0.56 1.04 0.15 0.00 0.43 0.00 0.00 52.55 54.73 2ddj s ASP 64 Cb -0.32 -1.60 0.23 0.00 -0.30 0.00 0.00 42.92 40.94 2ddj s ASP 64 CO 0.33 -3.77 1.12 1.41 -0.17 0.00 0.00 175.17 174.09 2ddj n HIS 65 N -4.58 0.00 -1.00 -5.34 8.25 -1.26 -4.95 115.22 106.34 2ddj n HIS 65 Ca 0.07 -0.83 -0.43 0.00 -0.26 0.00 0.00 57.72 56.28 2ddj n HIS 65 Cb 0.58 -0.13 -0.07 0.00 1.12 0.00 0.00 29.99 31.48 2ddj n HIS 65 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddj n HIS 66 N -1.18 0.97 -3.61 4.41 -0.00 -1.26 -4.90 115.22 109.65 2ddj n HIS 66 Ca 0.13 0.64 -0.27 0.00 0.46 0.00 0.00 57.72 58.67 2ddj n HIS 66 Cb 0.63 -1.50 -0.11 0.00 -0.12 0.00 0.00 29.99 28.89 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ddj n HIS 67 N 3.84 1.28 -1.02 1.57 8.25 -1.26 -5.08 115.22 122.80 2ddj n HIS 67 Ca 0.29 -3.83 -0.44 0.00 -0.26 0.00 0.00 57.72 53.48 2ddj n HIS 67 Cb -0.03 -0.23 -0.08 0.00 1.12 0.00 0.00 29.99 30.77 2ddj n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddj n HIS 68 N 2.21 1.00 -0.66 4.41 -0.00 -1.26 -4.94 115.22 115.97 2ddj n HIS 68 Ca 0.25 0.66 -0.31 0.00 0.46 0.00 0.00 57.72 58.77 2ddj n HIS 68 Cb 0.42 -1.54 0.17 0.00 -0.12 0.00 0.00 29.99 28.91 2ddj n HIS 68 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2ddj n HIS 69 N 3.93 -1.54 0.00 1.57 1.44 -1.26 -5.25 115.22 114.11 2ddj n HIS 69 Ca 0.29 0.13 0.00 0.00 -2.01 0.00 0.00 57.72 56.14 2ddj n HIS 69 Cb -0.03 -1.52 0.00 0.00 0.12 0.00 0.00 29.99 28.55 2ddj n HIS 69 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11