#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 0.12 0.00 0.62 0.00 -1.25 -5.06 121.76 116.18 2ddj s ALA 2 Ca 0.00 -0.93 0.00 0.00 0.00 0.00 0.00 51.96 51.03 2ddj s ALA 2 Cb 0.00 0.72 0.00 0.00 0.00 0.00 0.00 23.12 23.84 2ddj s ALA 2 CO 0.00 -0.56 0.00 0.39 0.00 0.00 0.00 175.76 175.59 2ddj n GLU 3 N -0.13 0.00 -0.02 0.00 -0.58 -1.26 -4.45 120.64 114.20 2ddj n GLU 3 Ca -0.10 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.62 2ddj n GLU 3 Cb 0.63 -0.16 -0.02 0.00 -0.57 0.00 0.00 31.44 31.31 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 -2.04 1.92 0.01 0.62 0.00 -1.26 -4.91 120.51 114.84 2ddj n ALA 4 Ca 0.00 -0.20 -0.01 0.00 0.00 0.00 0.00 53.44 53.23 2ddj n ALA 4 Cb 0.00 0.26 -0.01 0.00 0.00 0.00 0.00 19.45 19.70 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 0.00 -0.05 -3.52 0.00 4.39 -2.03 -3.38 114.58 109.99 2ddj h GLU 5 Ca -0.09 0.00 -0.62 0.00 0.34 0.00 0.00 59.36 58.99 2ddj h GLU 5 Cb 1.18 0.01 -0.40 0.00 -0.10 0.00 0.00 28.75 29.44 2ddj h GLU 5 CO -0.00 -0.04 -0.71 0.12 -1.16 0.00 0.00 179.01 177.22 2ddj s PHE 6 N -3.19 2.58 -0.30 4.33 5.36 -1.26 -4.97 117.98 120.52 2ddj s PHE 6 Ca -0.01 -2.61 -0.11 0.00 -0.96 0.00 0.00 56.93 53.24 2ddj s PHE 6 Cb 0.00 -2.30 0.18 0.00 -0.34 0.00 0.00 43.02 40.57 2ddj s PHE 6 CO 0.04 -0.82 1.00 0.99 -1.46 0.00 0.00 175.22 174.97 2ddj s THR 7 N 0.52 -0.37 -0.06 0.12 2.01 -1.26 -3.80 115.64 112.80 2ddj s THR 7 Ca 0.15 0.00 -0.03 0.00 0.31 0.00 0.00 61.69 62.12 2ddj s THR 7 Cb -0.23 -0.77 0.04 0.00 0.01 0.00 0.00 72.50 71.55 2ddj s THR 7 CO -0.06 0.00 0.13 -0.62 -0.69 0.00 0.00 174.62 173.38 2ddj s ASP 8 N 2.94 0.13 0.41 3.53 -1.08 -1.26 -4.98 116.67 116.36 2ddj s ASP 8 Ca 0.09 0.27 0.09 0.00 -0.52 0.00 0.00 52.55 52.48 2ddj s ASP 8 Cb -0.08 0.17 0.90 0.00 -1.46 0.00 0.00 42.92 42.44 2ddj s ASP 8 CO -0.16 -0.17 2.04 0.00 0.52 0.00 0.00 175.17 177.40 2ddj h ALA 9 N 7.52 1.78 0.00 3.66 0.00 -1.91 -1.20 119.26 129.11 2ddj h ALA 9 Ca -0.36 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2ddj h ALA 9 Cb 1.13 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 2ddj h ALA 9 CO 0.36 0.16 -0.04 0.00 0.00 0.00 0.00 179.25 179.74 2ddj n VAL 11 N -4.02 0.00 -4.25 0.00 0.31 -0.49 -4.63 118.33 105.25 2ddj n VAL 11 Ca -0.03 -0.02 -0.34 0.00 -0.01 0.00 0.00 64.34 63.94 2ddj n VAL 11 Cb 0.12 0.76 -0.08 0.00 -0.91 0.00 0.00 33.84 33.73 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 -2.94 3.68 0.88 7.52 2.96 -0.75 -5.00 118.68 125.01 2ddj s LEU 12 Ca 0.10 0.11 -0.12 0.00 -0.22 0.00 0.00 54.13 54.01 2ddj s LEU 12 Cb 0.17 -2.01 0.12 0.00 0.50 0.00 0.00 46.19 44.97 2ddj s LEU 12 CO 0.78 0.32 1.10 -2.16 -1.32 0.00 0.00 176.35 175.07 2ddj s PRO 13 N -1.32 1.42 -0.25 0.98 0.04 -1.26 -4.80 135.00 129.81 2ddj s PRO 13 Ca 0.18 0.73 -0.29 0.00 0.04 0.00 0.00 61.00 61.66 2ddj s PRO 13 Cb -0.12 -1.84 -0.02 0.00 0.04 0.00 0.00 34.50 32.56 2ddj s PRO 13 CO 0.08 -2.10 1.65 0.00 0.04 0.00 0.00 177.00 176.67 2ddj s ALA 14 N -3.01 3.18 -0.19 8.56 0.00 -1.26 -4.61 121.76 124.43 2ddj s ALA 14 Ca 0.63 0.41 -0.15 0.00 0.00 0.00 0.00 51.96 52.85 2ddj s ALA 14 Cb -0.17 -3.89 -0.04 0.00 0.00 0.00 0.00 23.12 19.02 2ddj s ALA 14 CO 0.56 -2.11 0.35 0.08 0.00 0.00 0.00 175.76 174.64 2ddj s VAL 15 N 5.57 5.24 -0.14 0.00 1.01 -1.26 -4.95 120.40 125.88 2ddj s VAL 15 Ca 0.73 0.64 0.18 0.00 0.00 0.00 0.00 61.98 63.53 2ddj s VAL 15 Cb -0.24 -3.69 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 2ddj s VAL 15 CO 0.31 0.30 0.83 0.00 0.00 0.00 0.00 175.10 176.54 2ddj n GLN 16 N 4.15 0.62 0.00 2.72 6.02 -1.26 -4.70 117.38 124.92 2ddj n GLN 16 Ca -0.10 0.20 0.00 0.00 -0.01 0.00 0.00 57.00 57.09 2ddj n GLN 16 Cb 0.51 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.97 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 1.37 -1.78 0.00 1.08 0.00 -1.23 -0.56 105.19 104.07 2ddj n GLY 17 Ca -0.09 -1.52 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 -2.28 0.57 -1.01 1.61 -0.04 -1.26 -4.81 135.00 127.78 2ddj n PRO 18 Ca 0.00 0.01 -0.28 0.00 -0.04 0.00 0.00 63.50 63.19 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 -4.57 0.31 -2.93 0.00 3.00 -1.26 -4.96 116.66 106.25 2ddj n ARG 20 Ca 0.14 -0.58 -0.31 0.00 -0.01 0.00 0.00 57.85 57.10 2ddj n ARG 20 Cb 0.55 -0.77 -0.04 0.00 0.00 0.00 0.00 32.46 32.20 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 -0.21 2.02 -0.23 -0.13 0.00 -1.26 -5.07 107.32 102.43 2ddj s GLY 21 Ca 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 44.72 44.55 2ddj s GLY 21 CO 0.00 0.02 -0.05 -0.98 0.00 0.00 0.00 173.10 172.09 2ddj s TRP 22 N -2.28 2.24 -0.21 1.90 0.23 -1.26 -4.15 118.94 115.41 2ddj s TRP 22 Ca 0.51 -1.64 0.00 0.00 -2.03 0.00 0.00 56.10 52.95 2ddj s TRP 22 Cb -0.10 -1.52 0.02 0.00 0.03 0.00 0.00 33.47 31.90 2ddj s TRP 22 CO 0.29 -0.75 -0.14 -2.00 0.96 0.00 0.00 176.95 175.31 2ddj s GLU 23 N 1.45 2.93 0.23 4.98 2.56 0.39 -4.96 118.70 126.28 2ddj s GLU 23 Ca -0.05 -0.89 -0.30 0.00 0.00 0.00 0.00 54.97 53.73 2ddj s GLU 23 Cb -0.18 -2.75 -0.09 0.00 2.00 0.00 0.00 34.13 33.10 2ddj s GLU 23 CO -0.06 -0.29 1.27 -1.25 -0.56 0.00 0.00 175.26 174.37 2ddj s PRO 24 N 1.30 4.43 0.37 4.30 0.04 -1.26 -1.02 135.00 143.16 2ddj s PRO 24 Ca 0.02 2.03 0.06 0.00 0.04 0.00 0.00 61.00 63.16 2ddj s PRO 24 Cb -0.15 -3.18 -0.02 0.00 0.04 0.00 0.00 34.50 31.19 2ddj s PRO 24 CO -0.09 -0.16 0.23 0.54 0.04 0.00 0.00 177.00 177.56 2ddj n ARG 25 N 2.09 0.47 -5.20 4.56 5.12 -0.43 -4.90 116.66 118.37 2ddj n ARG 25 Ca 0.04 -3.44 -0.30 0.00 -1.93 0.00 0.00 57.85 52.22 2ddj n ARG 25 Cb 0.43 2.43 -0.16 0.00 -1.16 0.00 0.00 32.46 34.00 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 -3.27 2.16 -0.00 -1.55 0.52 -0.26 -0.19 118.94 116.34 2ddj s TRP 26 Ca 0.33 -0.41 -0.08 0.00 0.02 0.00 0.00 56.10 55.95 2ddj s TRP 26 Cb 0.02 -1.39 0.01 0.00 -1.15 0.00 0.00 33.47 30.95 2ddj s TRP 26 CO 0.23 -0.04 0.17 0.00 0.02 0.00 0.00 176.95 177.33 2ddj s ALA 27 N -0.56 -0.41 0.20 0.98 0.00 -0.62 -0.10 121.76 121.25 2ddj s ALA 27 Ca 0.09 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.74 2ddj s ALA 27 Cb -0.09 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 2ddj s ALA 27 CO -0.01 -0.21 1.07 -0.47 0.00 0.00 0.00 175.76 176.14 2ddj s TYR 28 N -1.27 3.66 -0.25 0.00 5.04 -1.26 -1.48 117.35 121.79 2ddj s TYR 28 Ca -0.13 1.67 -0.00 0.00 -2.44 0.00 0.00 57.07 56.17 2ddj s TYR 28 Cb -0.07 -3.22 0.04 0.00 0.35 0.00 0.00 41.96 39.06 2ddj s TYR 28 CO 0.02 -0.40 -0.08 -1.12 -1.34 0.00 0.00 175.55 172.63 2ddj s SER 29 N -0.37 4.27 0.34 4.32 0.01 -0.19 -4.58 113.70 117.50 2ddj s SER 29 Ca 0.47 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.78 2ddj s SER 29 Cb -0.29 -1.62 0.61 0.00 0.21 0.00 0.00 66.02 64.93 2ddj s SER 29 CO 0.35 -0.14 1.80 1.55 0.41 0.00 0.00 173.24 177.21 2ddj h PRO 30 N 7.94 0.24 0.00 12.44 0.13 -1.83 0.22 132.00 151.14 2ddj h PRO 30 Ca -0.29 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ddj h PRO 30 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddj h PRO 30 CO 0.55 0.50 0.00 1.28 -0.23 0.00 0.00 178.00 180.10 2ddj n LEU 31 N -4.14 0.42 -0.06 1.56 4.77 -1.26 -1.32 117.00 116.97 2ddj n LEU 31 Ca -0.01 0.65 0.01 0.00 -0.03 0.00 0.00 56.01 56.63 2ddj n LEU 31 Cb 0.38 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.83 2ddj n LEU 31 CO 0.40 -0.64 0.18 0.18 -1.33 0.00 0.00 177.39 176.18 2ddj n LEU 32 N -2.01 0.80 -2.58 2.23 4.77 -0.77 -5.00 117.00 114.44 2ddj n LEU 32 Ca 0.01 -0.82 -0.10 0.00 -0.03 0.00 0.00 56.01 55.07 2ddj n LEU 32 Cb 0.12 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.20 2ddj n LEU 32 CO 0.12 0.18 -0.10 1.67 -1.33 0.00 0.00 177.39 177.94 2ddj n GLN 33 N -0.30 -2.57 -3.74 3.23 0.00 0.66 -4.88 117.38 109.79 2ddj n GLN 33 Ca 0.01 0.39 -0.05 0.00 -0.00 0.00 0.00 57.00 57.35 2ddj n GLN 33 Cb 0.05 -4.96 -0.02 0.00 0.00 0.00 0.00 30.24 25.31 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 -5.14 1.28 0.29 3.69 -0.44 -0.56 -4.62 119.66 114.16 2ddj s GLN 34 Ca 0.05 -0.68 -0.12 0.00 -2.50 0.00 0.00 55.36 52.11 2ddj s GLN 34 Cb -0.03 0.45 -0.08 0.00 -1.64 0.00 0.00 33.01 31.72 2ddj s GLN 34 CO 0.06 -0.58 0.66 0.00 0.50 0.00 0.00 175.29 175.92 2ddj s HIS 36 N -1.97 0.02 0.79 0.00 -3.43 -0.55 -4.94 115.29 105.21 2ddj s HIS 36 Ca 0.51 -0.33 -0.13 0.00 -0.80 0.00 0.00 55.06 54.31 2ddj s HIS 36 Cb -0.11 0.03 0.07 0.00 -1.43 0.00 0.00 32.58 31.15 2ddj s HIS 36 CO 0.21 -0.54 1.16 -2.14 -2.00 0.00 0.00 174.74 171.43 2ddj s PRO 37 N -3.34 1.85 0.22 -0.38 0.02 -1.26 -1.59 135.00 130.52 2ddj s PRO 37 Ca 0.01 1.58 -0.17 0.00 0.02 0.00 0.00 61.00 62.44 2ddj s PRO 37 Cb 0.02 -1.82 0.02 0.00 0.02 0.00 0.00 34.50 32.74 2ddj s PRO 37 CO -0.08 -2.02 0.54 -0.59 -0.33 0.00 0.00 177.00 174.52 2ddj s PHE 38 N -2.36 -0.02 -0.35 6.54 -0.71 0.73 -4.84 117.98 116.98 2ddj s PHE 38 Ca 0.69 -0.35 -0.21 0.00 -1.04 0.00 0.00 56.93 56.02 2ddj s PHE 38 Cb -0.25 0.39 0.00 0.00 -1.21 0.00 0.00 43.02 41.95 2ddj s PHE 38 CO 0.51 -0.98 0.68 0.08 -1.34 0.00 0.00 175.22 174.17 2ddj s VAL 39 N -3.91 4.85 0.48 -2.49 1.01 -1.26 -1.31 120.40 117.76 2ddj s VAL 39 Ca 0.12 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.88 2ddj s VAL 39 Cb -0.02 -4.11 -0.01 0.00 0.00 0.00 0.00 36.38 32.25 2ddj s VAL 39 CO 0.01 -0.32 0.27 -0.47 0.00 0.00 0.00 175.10 174.59 2ddj s TYR 40 N 2.81 2.11 0.00 5.22 5.04 -0.19 -4.68 117.35 127.67 2ddj s TYR 40 Ca 0.27 -0.73 0.00 0.00 -2.44 0.00 0.00 57.07 54.16 2ddj s TYR 40 Cb -0.14 -1.92 0.00 0.00 0.35 0.00 0.00 41.96 40.25 2ddj s TYR 40 CO 0.15 -0.12 0.80 0.41 -1.34 0.00 0.00 175.55 175.45 2ddj n GLY 41 N -1.50 1.14 3.27 8.97 0.00 0.28 -0.46 105.19 116.88 2ddj n GLY 41 Ca -0.03 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.99 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 1.15 -0.02 0.00 -1.26 -4.66 105.19 102.38 2ddj n GLY 42 Ca 0.00 -0.04 -0.09 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 -2.18 0.00 -3.53 0.00 4.71 -1.26 -4.79 120.64 113.59 2ddj n GLU 44 Ca 0.05 0.00 -0.11 0.00 -0.01 0.00 0.00 57.16 57.09 2ddj n GLU 44 Cb 0.18 -0.91 -0.03 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 -0.27 -0.46 0.23 0.62 0.00 -1.26 -3.48 107.32 102.69 2ddj s GLY 45 Ca 0.56 0.26 0.01 0.00 0.00 0.00 0.00 44.72 45.54 2ddj s GLY 45 CO 0.39 0.02 0.31 0.70 0.00 0.00 0.00 173.10 174.53 2ddj n ASN 46 N -0.36 0.49 0.17 1.64 4.13 -1.26 -5.01 115.26 115.06 2ddj n ASN 46 Ca -0.15 -1.40 0.06 0.00 1.68 0.00 0.00 54.58 54.77 2ddj n ASN 46 Cb 0.64 -0.19 0.55 0.00 -1.54 0.00 0.00 39.78 39.23 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 -0.14 0.19 -5.59 7.41 0.00 -1.98 -3.18 103.07 99.78 2ddj h GLY 47 Ca -0.10 -0.08 -0.71 0.00 0.00 0.00 0.00 47.33 46.44 2ddj h GLY 47 CO 0.12 0.07 3.03 -2.01 0.00 0.00 0.00 176.54 177.75 2ddj n ASN 48 N -4.49 7.14 -3.63 0.19 5.15 -1.26 -4.71 115.26 113.66 2ddj n ASN 48 Ca -0.01 -2.87 -0.24 0.00 -0.60 0.00 0.00 54.58 50.85 2ddj n ASN 48 Cb 0.10 -1.51 -0.17 0.00 -0.53 0.00 0.00 39.78 37.68 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 1.61 2.02 0.14 1.20 3.84 -1.20 -3.99 114.94 118.56 2ddj s ASN 49 Ca 0.57 -0.43 0.09 0.00 0.21 0.00 0.00 52.86 53.30 2ddj s ASN 49 Cb 0.16 -0.22 -0.04 0.00 -0.55 0.00 0.00 41.25 40.60 2ddj s ASN 49 CO -0.07 -0.32 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.40 2ddj s PHE 50 N 2.14 2.54 -0.95 0.43 0.08 0.86 -4.95 117.98 118.13 2ddj s PHE 50 Ca 0.03 -0.26 0.22 0.00 0.12 0.00 0.00 56.93 57.04 2ddj s PHE 50 Cb -0.15 -1.31 -0.02 0.00 -0.57 0.00 0.00 43.02 40.97 2ddj s PHE 50 CO -0.07 0.43 1.04 0.72 -0.10 0.00 0.00 175.22 177.23 2ddj n HIS 51 N 0.57 0.02 -3.81 0.36 8.25 -1.26 -1.10 115.22 118.26 2ddj n HIS 51 Ca -0.14 0.01 -0.09 0.00 -0.26 0.00 0.00 57.72 57.24 2ddj n HIS 51 Cb 0.54 -0.11 -0.03 0.00 1.12 0.00 0.00 29.99 31.51 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 -3.10 -0.26 0.05 0.41 1.04 -1.26 -4.91 113.70 105.66 2ddj s SER 52 Ca 0.08 -0.57 -0.24 0.00 0.48 0.00 0.00 55.95 55.70 2ddj s SER 52 Cb 0.16 0.65 -0.17 0.00 0.10 0.00 0.00 66.02 66.76 2ddj s SER 52 CO 0.82 -1.19 1.56 -0.09 0.98 0.00 0.00 173.24 175.33 2ddj h ARG 53 N 2.10 -0.03 -0.33 4.02 9.65 -1.98 -3.06 114.38 124.74 2ddj h ARG 53 Ca -0.25 0.00 0.03 0.00 -1.10 0.00 0.00 59.98 58.67 2ddj h ARG 53 Cb 1.26 0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.81 2ddj h ARG 53 CO 0.31 0.15 -0.20 -1.91 2.80 0.00 0.00 179.97 181.12 2ddj n GLU 54 N -5.02 -0.15 -0.06 0.20 0.00 -1.26 -0.50 120.64 113.85 2ddj n GLU 54 Ca -0.08 1.14 0.01 0.00 0.00 0.00 0.00 57.16 58.23 2ddj n GLU 54 Cb 0.12 -1.70 0.32 0.00 0.00 0.00 0.00 31.44 30.18 2ddj n GLU 54 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 2ddj h SER 55 N 0.00 0.59 -0.19 4.31 4.64 -1.97 -1.28 113.55 119.65 2ddj h SER 55 Ca 0.05 -0.06 -0.08 0.00 -0.47 0.00 0.00 61.79 61.24 2ddj h SER 55 Cb 0.14 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 62.07 2ddj h SER 55 CO -0.31 0.52 -0.18 0.00 -0.87 0.00 0.00 176.83 175.99 2ddj h GLU 57 N 0.12 0.87 -0.18 0.00 4.39 -0.09 -0.59 114.58 119.10 2ddj h GLU 57 Ca 0.03 -0.05 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2ddj h GLU 57 Cb 0.71 -0.20 -0.04 0.00 -0.10 0.00 0.00 28.75 29.13 2ddj h GLU 57 CO 0.04 0.58 -0.06 0.22 -1.16 0.00 0.00 179.01 178.64 2ddj h ASP 58 N 0.90 -0.20 -0.64 1.42 3.58 -1.13 -2.37 116.42 117.98 2ddj h ASP 58 Ca 0.34 0.06 0.13 0.00 0.42 0.00 0.00 57.03 57.97 2ddj h ASP 58 Cb 0.13 0.12 -0.12 0.00 1.72 0.00 0.00 39.33 41.18 2ddj h ASP 58 CO -0.16 -0.07 -0.15 0.00 -2.88 0.00 0.00 179.24 175.99 2ddj h ALA 59 N 1.16 0.45 -1.19 -0.78 0.00 -0.26 -3.39 119.26 115.24 2ddj h ALA 59 Ca 0.09 0.25 0.28 0.00 0.00 0.00 0.00 54.91 55.52 2ddj h ALA 59 Cb 0.15 0.48 -0.22 0.00 0.00 0.00 0.00 17.79 18.20 2ddj h ALA 59 CO -0.19 -0.42 0.91 0.00 0.00 0.00 0.00 179.25 179.54 2ddj s PRO 61 N -1.83 3.39 0.00 0.00 0.04 -1.20 -3.99 135.00 131.42 2ddj s PRO 61 Ca 0.10 -2.08 0.00 0.00 0.04 0.00 0.00 61.00 59.05 2ddj s PRO 61 Cb -0.01 -4.43 0.00 0.00 0.04 0.00 0.00 34.50 30.10 2ddj s PRO 61 CO -0.04 -1.38 0.00 0.28 0.04 0.00 0.00 177.00 175.90 2ddj n VAL 62 N 4.61 0.00 -1.54 -0.36 0.31 -1.23 -5.01 118.33 115.11 2ddj n VAL 62 Ca 0.05 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 64.00 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 2.80 -1.45 2.52 0.31 -1.26 -4.71 118.33 116.54 2ddj n VAL 63 Ca 0.00 -0.50 -0.58 0.00 -0.01 0.00 0.00 64.34 63.25 2ddj n VAL 63 Cb 0.00 -0.91 -0.09 0.00 -0.91 0.00 0.00 33.84 31.93 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 0.07 1.53 -4.53 4.52 2.03 -1.26 -4.84 116.55 114.07 2ddj n ASP 64 Ca 0.12 0.72 -0.42 0.00 0.52 0.00 0.00 54.79 55.74 2ddj n ASP 64 Cb 0.46 -1.05 -0.03 0.00 -0.72 0.00 0.00 41.12 39.77 2ddj n ASP 64 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ddj s HIS 65 N 5.64 2.57 0.00 -0.67 3.76 -1.26 -4.87 115.29 120.46 2ddj s HIS 65 Ca 1.11 -0.66 0.00 0.00 -0.15 0.00 0.00 55.06 55.37 2ddj s HIS 65 Cb -1.22 -4.56 0.00 0.00 1.11 0.00 0.00 32.58 27.91 2ddj s HIS 65 CO 0.63 -1.87 0.00 0.72 -0.85 0.00 0.00 174.74 173.37 2ddj n HIS 66 N 8.50 0.00 0.81 1.40 8.25 -1.26 -4.39 115.22 128.54 2ddj n HIS 66 Ca 0.18 0.00 0.07 0.00 -0.26 0.00 0.00 57.72 57.70 2ddj n HIS 66 Cb 0.49 0.00 0.39 0.00 1.12 0.00 0.00 29.99 31.99 2ddj n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddj n HIS 67 N 0.00 0.00 -1.00 4.41 8.25 -1.26 -4.19 115.22 121.43 2ddj n HIS 67 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 2ddj n HIS 67 Cb 0.00 -0.01 -0.06 0.00 1.12 0.00 0.00 29.99 31.03 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 -1.01 1.50 0.30 4.41 -0.00 -1.26 -4.76 115.22 114.40 2ddj n HIS 68 Ca 0.10 -1.57 0.19 0.00 -0.00 0.00 0.00 57.72 56.43 2ddj n HIS 68 Cb 0.05 -1.52 1.02 0.00 -0.00 0.00 0.00 29.99 29.54 2ddj n HIS 68 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 2ddj h HIS 69 N 8.18 0.00 0.00 1.57 2.76 -1.99 -3.54 115.15 122.13 2ddj h HIS 69 Ca 0.39 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.56 2ddj h HIS 69 Cb 0.64 0.00 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2ddj h HIS 69 CO 1.25 0.00 0.00 1.58 -1.30 0.00 0.00 177.93 179.46