#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 0.50 -0.02 0.62 0.00 -1.26 -4.95 120.51 115.41 2ddj n ALA 2 Ca 0.00 -0.14 -0.16 0.00 0.00 0.00 0.00 53.44 53.14 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 0.93 0.00 0.00 0.00 177.50 178.43 2ddj h GLU 3 N 0.00 0.21 0.00 0.00 3.07 -2.00 -3.40 114.58 112.46 2ddj h GLU 3 Ca 0.00 -0.24 0.00 0.00 -0.50 0.00 0.00 59.36 58.62 2ddj h GLU 3 Cb 0.75 0.07 0.00 0.00 -0.84 0.00 0.00 28.75 28.73 2ddj h GLU 3 CO 0.00 1.00 0.70 0.00 -1.40 0.00 0.00 179.01 179.31 2ddj n ALA 4 N -2.57 0.00 0.24 3.43 0.00 -1.26 -1.85 120.51 118.51 2ddj n ALA 4 Ca -0.10 0.00 0.11 0.00 0.00 0.00 0.00 53.44 53.45 2ddj n ALA 4 Cb 0.57 0.00 0.57 0.00 0.00 0.00 0.00 19.45 20.58 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 0.00 -3.70 0.00 5.08 -2.01 -3.46 114.58 110.48 2ddj h GLU 5 Ca 0.00 0.00 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2ddj h GLU 5 Cb 1.40 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.57 2ddj h GLU 5 CO 0.00 0.18 -0.11 0.12 -1.00 0.00 0.00 179.01 178.20 2ddj s PHE 6 N -3.83 0.47 -0.90 4.33 5.36 -0.77 -4.93 117.98 117.72 2ddj s PHE 6 Ca -0.01 -0.83 -0.25 0.00 -0.96 0.00 0.00 56.93 54.88 2ddj s PHE 6 Cb 0.11 0.18 0.03 0.00 -0.34 0.00 0.00 43.02 43.00 2ddj s PHE 6 CO 0.61 -1.05 1.50 0.99 -1.46 0.00 0.00 175.22 175.80 2ddj s THR 7 N -3.74 3.76 -0.72 0.12 2.01 -1.26 -4.91 115.64 110.90 2ddj s THR 7 Ca 0.24 -0.32 -0.26 0.00 0.31 0.00 0.00 61.69 61.66 2ddj s THR 7 Cb -0.01 -4.81 -0.08 0.00 0.01 0.00 0.00 72.50 67.61 2ddj s THR 7 CO 0.11 -1.72 2.20 -0.62 -0.69 0.00 0.00 174.62 173.90 2ddj s ASP 8 N 5.24 4.56 0.53 3.53 -1.08 -1.26 -4.81 116.67 123.39 2ddj s ASP 8 Ca 0.48 0.14 0.26 0.00 -0.52 0.00 0.00 52.55 52.90 2ddj s ASP 8 Cb -0.04 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.28 2ddj s ASP 8 CO 0.00 -3.11 1.98 0.00 0.52 0.00 0.00 175.17 174.56 2ddj h ALA 9 N 14.27 2.54 -0.10 3.66 0.00 -1.91 -1.64 119.26 136.09 2ddj h ALA 9 Ca -0.07 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2ddj h ALA 9 Cb 1.09 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.91 2ddj h ALA 9 CO 1.13 -0.71 -0.17 0.00 0.00 0.00 0.00 179.25 179.50 2ddj n VAL 11 N -4.26 0.00 -4.30 0.00 0.31 -0.63 -4.53 118.33 104.92 2ddj n VAL 11 Ca -0.01 -0.16 -0.35 0.00 -0.01 0.00 0.00 64.34 63.81 2ddj n VAL 11 Cb 0.28 0.88 -0.09 0.00 -0.91 0.00 0.00 33.84 34.01 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 -2.62 3.67 0.81 7.52 2.96 -0.73 -5.10 118.68 125.20 2ddj s LEU 12 Ca 0.18 0.16 -0.11 0.00 -0.22 0.00 0.00 54.13 54.13 2ddj s LEU 12 Cb 0.18 -1.90 0.08 0.00 0.50 0.00 0.00 46.19 45.05 2ddj s LEU 12 CO 0.62 0.36 1.09 -2.16 -1.32 0.00 0.00 176.35 174.94 2ddj s PRO 13 N -1.04 1.93 -0.25 0.98 0.04 -1.26 -4.77 135.00 130.63 2ddj s PRO 13 Ca 0.15 0.88 -0.29 0.00 0.04 0.00 0.00 61.00 61.78 2ddj s PRO 13 Cb -0.11 -1.88 -0.02 0.00 0.04 0.00 0.00 34.50 32.52 2ddj s PRO 13 CO 0.04 -1.79 1.65 0.00 0.04 0.00 0.00 177.00 176.94 2ddj s ALA 14 N -3.00 3.18 -0.14 8.56 0.00 -1.26 -4.61 121.76 124.50 2ddj s ALA 14 Ca 0.61 0.40 -0.16 0.00 0.00 0.00 0.00 51.96 52.82 2ddj s ALA 14 Cb -0.16 -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 0.39 0.08 0.00 0.00 0.00 175.76 174.68 2ddj s VAL 15 N 5.55 5.24 -0.02 0.00 1.01 -1.25 -4.97 120.40 125.96 2ddj s VAL 15 Ca 0.73 0.76 0.12 0.00 0.00 0.00 0.00 61.98 63.59 2ddj s VAL 15 Cb -0.24 -3.73 -0.20 0.00 0.00 0.00 0.00 36.38 32.21 2ddj s VAL 15 CO 0.30 0.36 0.83 1.56 0.00 0.00 0.00 175.10 178.16 2ddj h GLN 16 N 6.66 0.00 0.00 2.72 4.20 -1.86 -3.45 115.11 123.38 2ddj h GLN 16 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 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 0.57 0.00 0.41 -0.67 0.00 0.00 178.83 179.89 2ddj n GLY 17 N 1.48 -0.77 0.24 3.46 0.00 -1.21 -0.86 105.19 107.54 2ddj n GLY 17 Ca -0.12 -1.69 -0.01 0.00 0.00 0.00 0.00 46.02 44.20 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 0.41 -7.20 1.61 0.13 -1.91 -3.45 132.00 121.58 2ddj h PRO 18 Ca 0.00 -0.13 -0.52 0.00 -0.87 0.00 0.00 66.00 64.48 2ddj h PRO 18 Cb 0.00 -0.04 0.14 0.00 0.13 0.00 0.00 31.00 31.23 2ddj h PRO 18 CO 0.00 0.58 0.37 0.00 -0.23 0.00 0.00 178.00 178.72 2ddj n ARG 20 N -2.80 1.58 -1.39 0.00 3.00 -1.26 -4.56 116.66 111.24 2ddj n ARG 20 Ca 0.12 -1.59 -0.32 0.00 -0.01 0.00 0.00 57.85 56.05 2ddj n ARG 20 Cb 0.51 -1.26 0.09 0.00 0.00 0.00 0.00 32.46 31.79 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 -1.02 1.95 -0.18 -0.13 0.00 -1.26 -5.02 107.32 101.66 2ddj s GLY 21 Ca 0.19 0.50 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2ddj s GLY 21 CO 0.16 0.87 -0.12 -0.98 0.00 0.00 0.00 173.10 173.03 2ddj s TRP 22 N -2.53 2.42 -0.16 1.90 0.23 -1.26 -3.83 118.94 115.71 2ddj s TRP 22 Ca 0.66 -1.52 -0.00 0.00 -2.03 0.00 0.00 56.10 53.21 2ddj s TRP 22 Cb -0.21 -1.67 0.04 0.00 0.03 0.00 0.00 33.47 31.66 2ddj s TRP 22 CO 0.49 -0.73 -0.07 -2.00 0.96 0.00 0.00 176.95 175.60 2ddj s GLU 23 N 1.40 1.56 0.27 4.98 2.56 0.45 -4.98 118.70 124.94 2ddj s GLU 23 Ca 0.01 -0.50 -0.29 0.00 0.00 0.00 0.00 54.97 54.18 2ddj s GLU 23 Cb -0.15 -1.98 -0.10 0.00 2.00 0.00 0.00 34.13 33.91 2ddj s GLU 23 CO -0.09 -0.39 1.26 -1.25 -0.56 0.00 0.00 175.26 174.23 2ddj s PRO 24 N 1.61 4.43 0.37 4.30 0.04 -1.26 -1.30 135.00 143.19 2ddj s PRO 24 Ca 0.02 2.07 0.07 0.00 0.04 0.00 0.00 61.00 63.19 2ddj s PRO 24 Cb -0.15 -3.14 -0.02 0.00 0.04 0.00 0.00 34.50 31.23 2ddj s PRO 24 CO -0.08 -0.12 0.24 0.54 0.04 0.00 0.00 177.00 177.62 2ddj n ARG 25 N 1.52 0.47 -4.95 4.56 5.12 -0.45 -4.91 116.66 118.03 2ddj n ARG 25 Ca 0.02 -3.46 -0.30 0.00 -1.93 0.00 0.00 57.85 52.18 2ddj n ARG 25 Cb 0.43 2.47 -0.15 0.00 -1.16 0.00 0.00 32.46 34.05 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 -3.29 2.24 -0.01 -1.55 0.52 0.40 -0.13 118.94 117.13 2ddj s TRP 26 Ca 0.33 -0.41 -0.10 0.00 0.02 0.00 0.00 56.10 55.94 2ddj s TRP 26 Cb 0.02 -1.36 0.01 0.00 -1.15 0.00 0.00 33.47 30.98 2ddj s TRP 26 CO 0.24 0.09 0.20 0.00 0.02 0.00 0.00 176.95 177.49 2ddj s ALA 27 N -0.76 -0.49 0.15 0.98 0.00 -0.52 -0.41 121.76 120.71 2ddj s ALA 27 Ca 0.11 0.05 -0.30 0.00 0.00 0.00 0.00 51.96 51.81 2ddj s ALA 27 Cb -0.10 0.08 -0.07 0.00 0.00 0.00 0.00 23.12 23.04 2ddj s ALA 27 CO 0.01 -0.22 0.97 -0.47 0.00 0.00 0.00 175.76 176.05 2ddj s TYR 28 N -1.32 3.84 -0.25 0.00 5.04 -1.26 -1.37 117.35 122.03 2ddj s TYR 28 Ca -0.14 1.81 0.00 0.00 -2.44 0.00 0.00 57.07 56.31 2ddj s TYR 28 Cb -0.07 -3.06 0.04 0.00 0.35 0.00 0.00 41.96 39.23 2ddj s TYR 28 CO 0.02 0.20 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.23 2ddj s SER 29 N -0.32 4.25 0.32 4.32 0.01 -0.02 -4.74 113.70 117.52 2ddj s SER 29 Ca 0.46 -1.04 0.06 0.00 1.31 0.00 0.00 55.95 56.74 2ddj s SER 29 Cb -0.25 -1.61 0.56 0.00 0.21 0.00 0.00 66.02 64.93 2ddj s SER 29 CO 0.31 -0.14 1.78 1.55 0.41 0.00 0.00 173.24 177.15 2ddj h PRO 30 N 7.93 0.31 0.00 12.44 0.13 -1.83 0.97 132.00 151.95 2ddj h PRO 30 Ca -0.29 -0.11 0.00 0.00 -0.87 0.00 0.00 66.00 64.73 2ddj h PRO 30 Cb 1.09 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ddj h PRO 30 CO 0.55 0.55 0.00 1.28 -0.23 0.00 0.00 178.00 180.15 2ddj n LEU 31 N -4.14 0.44 -0.10 1.56 4.77 -1.26 -1.20 117.00 117.07 2ddj n LEU 31 Ca -0.01 0.65 0.02 0.00 -0.03 0.00 0.00 56.01 56.64 2ddj n LEU 31 Cb 0.38 -0.64 0.00 0.00 -2.33 0.00 0.00 43.42 40.84 2ddj n LEU 31 CO 0.40 -0.63 0.19 0.18 -1.33 0.00 0.00 177.39 176.20 2ddj n LEU 32 N -2.03 0.88 -4.35 2.23 4.77 -0.85 -5.01 117.00 112.65 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 -0.05 0.00 -2.33 0.00 0.00 43.42 41.16 2ddj n LEU 32 CO 0.13 0.20 -0.12 1.67 -1.33 0.00 0.00 177.39 177.93 2ddj n GLN 33 N -0.28 -2.04 -3.62 3.23 0.00 0.25 -4.89 117.38 110.02 2ddj n GLN 33 Ca 0.02 0.26 -0.06 0.00 -0.00 0.00 0.00 57.00 57.22 2ddj n GLN 33 Cb 0.08 -4.81 -0.02 0.00 0.00 0.00 0.00 30.24 25.50 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 -7.07 0.95 0.37 3.69 0.74 -0.67 -4.74 119.66 112.92 2ddj s GLN 34 Ca 0.69 -0.45 -0.14 0.00 0.05 0.00 0.00 55.36 55.50 2ddj s GLN 34 Cb -0.39 0.37 -0.08 0.00 1.10 0.00 0.00 33.01 34.01 2ddj s GLN 34 CO 0.97 -0.43 0.78 0.00 -0.55 0.00 0.00 175.29 176.07 2ddj s HIS 36 N -2.15 -0.09 0.84 0.00 -3.43 -0.47 -4.93 115.29 105.06 2ddj s HIS 36 Ca 0.54 -0.21 -0.11 0.00 -0.80 0.00 0.00 55.06 54.48 2ddj s HIS 36 Cb -0.10 0.13 0.10 0.00 -1.43 0.00 0.00 32.58 31.28 2ddj s HIS 36 CO 0.22 -0.61 1.13 -2.14 -2.00 0.00 0.00 174.74 171.33 2ddj s PRO 37 N -3.52 1.64 0.29 -0.38 0.02 -1.26 -1.44 135.00 130.36 2ddj s PRO 37 Ca 0.02 1.42 -0.17 0.00 0.02 0.00 0.00 61.00 62.29 2ddj s PRO 37 Cb 0.02 -1.81 0.02 0.00 0.02 0.00 0.00 34.50 32.75 2ddj s PRO 37 CO -0.10 -2.14 0.66 -0.59 -0.33 0.00 0.00 177.00 174.50 2ddj s PHE 38 N -2.68 0.08 -0.32 6.54 -0.71 0.82 -4.81 117.98 116.90 2ddj s PHE 38 Ca 0.65 -0.54 -0.10 0.00 -1.04 0.00 0.00 56.93 55.90 2ddj s PHE 38 Cb -0.21 0.55 -0.01 0.00 -1.21 0.00 0.00 43.02 42.14 2ddj s PHE 38 CO 0.55 -1.23 0.17 0.08 -1.34 0.00 0.00 175.22 173.45 2ddj s VAL 39 N -3.60 4.73 0.43 -2.49 1.01 -1.26 -1.34 120.40 117.88 2ddj s VAL 39 Ca 0.16 -0.38 0.07 0.00 0.00 0.00 0.00 61.98 61.83 2ddj s VAL 39 Cb -0.04 -3.41 -0.05 0.00 0.00 0.00 0.00 36.38 32.87 2ddj s VAL 39 CO 0.09 0.06 0.12 -0.47 0.00 0.00 0.00 175.10 174.90 2ddj s TYR 40 N 1.63 2.46 -0.07 5.22 5.04 -0.42 -4.71 117.35 126.50 2ddj s TYR 40 Ca 0.05 -0.66 0.10 0.00 -2.44 0.00 0.00 57.07 54.11 2ddj s TYR 40 Cb -0.17 -1.87 0.15 0.00 0.35 0.00 0.00 41.96 40.42 2ddj s TYR 40 CO 0.07 0.24 1.05 0.41 -1.34 0.00 0.00 175.55 175.98 2ddj n GLY 41 N -1.18 3.55 3.72 8.97 0.00 -0.04 -0.41 105.19 119.79 2ddj n GLY 41 Ca -0.04 -0.58 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.92 1.62 1.17 -0.02 0.00 -1.26 -4.62 105.19 101.15 2ddj n GLY 42 Ca 0.08 -0.04 -0.10 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.42 0.00 -3.70 0.00 4.71 -1.26 -4.75 120.64 113.22 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 -0.84 -0.04 0.00 -1.01 0.00 0.00 31.44 29.74 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 -0.41 -0.15 0.28 0.62 0.00 -1.26 -3.32 107.32 103.08 2ddj s GLY 45 Ca 0.52 -0.18 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2ddj s GLY 45 CO 0.39 -0.33 0.38 0.70 0.00 0.00 0.00 173.10 174.24 2ddj n ASN 46 N -0.27 0.59 0.19 1.64 4.13 -1.26 -5.00 115.26 115.28 2ddj n ASN 46 Ca -0.13 -1.48 0.14 0.00 1.68 0.00 0.00 54.58 54.79 2ddj n ASN 46 Cb 0.63 -0.24 0.73 0.00 -1.54 0.00 0.00 39.78 39.37 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 -0.18 0.00 -5.71 7.41 0.00 -1.93 -3.16 103.07 99.50 2ddj h GLY 47 Ca -0.13 0.00 -0.72 0.00 0.00 0.00 0.00 47.33 46.48 2ddj h GLY 47 CO 0.14 0.00 2.82 -2.01 0.00 0.00 0.00 176.54 177.49 2ddj n ASN 48 N -4.24 6.94 -3.57 0.19 5.15 -1.26 -4.70 115.26 113.76 2ddj n ASN 48 Ca 0.01 -2.94 -0.19 0.00 -0.60 0.00 0.00 54.58 50.86 2ddj n ASN 48 Cb 0.26 -1.48 -0.14 0.00 -0.53 0.00 0.00 39.78 37.88 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 1.37 1.35 0.08 1.20 3.84 -1.20 -3.86 114.94 117.74 2ddj s ASN 49 Ca 0.54 -0.12 0.09 0.00 0.21 0.00 0.00 52.86 53.58 2ddj s ASN 49 Cb 0.16 0.25 -0.03 0.00 -0.55 0.00 0.00 41.25 41.07 2ddj s ASN 49 CO -0.06 -0.31 -0.25 -0.36 -2.79 0.00 0.00 177.10 173.33 2ddj s PHE 50 N 2.29 2.17 -1.99 0.43 0.08 0.45 -4.95 117.98 116.46 2ddj s PHE 50 Ca 0.05 -0.40 0.25 0.00 0.12 0.00 0.00 56.93 56.95 2ddj s PHE 50 Cb -0.15 -1.24 0.51 0.00 -0.57 0.00 0.00 43.02 41.58 2ddj s PHE 50 CO -0.10 0.20 1.42 0.72 -0.10 0.00 0.00 175.22 177.36 2ddj n HIS 51 N 1.41 0.00 -3.79 0.36 8.25 -1.26 -0.45 115.22 119.73 2ddj n HIS 51 Ca -0.18 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.20 2ddj n HIS 51 Cb 0.53 -0.06 -0.03 0.00 1.12 0.00 0.00 29.99 31.54 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 -2.41 -0.27 0.04 0.41 1.04 -1.26 -4.87 113.70 106.37 2ddj s SER 52 Ca 0.24 -0.54 -0.22 0.00 0.48 0.00 0.00 55.95 55.90 2ddj s SER 52 Cb 0.19 0.65 -0.15 0.00 0.10 0.00 0.00 66.02 66.82 2ddj s SER 52 CO 0.51 -1.19 1.44 -0.09 0.98 0.00 0.00 173.24 174.88 2ddj h ARG 53 N 2.09 0.19 -0.34 4.02 9.65 -1.98 -3.11 114.38 124.90 2ddj h ARG 53 Ca -0.25 -0.07 0.03 0.00 -1.10 0.00 0.00 59.98 58.60 2ddj h ARG 53 Cb 1.26 -0.01 -0.04 0.00 -1.39 0.00 0.00 29.97 29.79 2ddj h ARG 53 CO 0.31 0.48 -0.20 -1.91 2.80 0.00 0.00 179.97 181.44 2ddj n GLU 54 N -4.78 -0.15 -0.26 0.20 0.00 -1.26 -0.53 120.64 113.86 2ddj n GLU 54 Ca -0.06 1.07 0.02 0.00 0.00 0.00 0.00 57.16 58.19 2ddj n GLU 54 Cb 0.22 -1.59 0.24 0.00 0.00 0.00 0.00 31.44 30.32 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 0.89 -0.71 4.31 4.64 -1.98 -0.28 113.55 120.42 2ddj h SER 55 Ca 0.05 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 61.30 2ddj h SER 55 Cb 0.14 -0.21 -0.03 0.00 -0.31 0.00 0.00 62.40 61.99 2ddj h SER 55 CO -0.32 0.61 0.21 0.00 -0.87 0.00 0.00 176.83 176.46 2ddj h GLU 57 N 1.06 0.52 0.00 0.00 4.39 0.31 0.15 114.58 121.01 2ddj h GLU 57 Ca 0.23 -0.11 -0.01 0.00 0.34 0.00 0.00 59.36 59.81 2ddj h GLU 57 Cb 0.32 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 2ddj h GLU 57 CO -0.00 0.54 -0.05 0.22 -1.16 0.00 0.00 179.01 178.56 2ddj h ASP 58 N 0.50 0.00 0.00 1.42 3.58 0.42 -3.14 116.42 119.21 2ddj h ASP 58 Ca 0.11 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.56 2ddj h ASP 58 Cb 0.30 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.35 2ddj h ASP 58 CO 0.01 0.05 -0.05 0.00 -2.88 0.00 0.00 179.24 176.37 2ddj h ALA 59 N 1.95 0.00 -2.88 -0.78 0.00 0.23 -2.70 119.26 115.08 2ddj h ALA 59 Ca -0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 2ddj h ALA 59 Cb 0.10 0.05 -0.09 0.00 0.00 0.00 0.00 17.79 17.85 2ddj h ALA 59 CO 0.01 0.05 0.03 0.00 0.00 0.00 0.00 179.25 179.33 2ddj s PRO 61 N -3.92 3.01 0.00 0.00 0.04 -1.26 -3.46 135.00 129.41 2ddj s PRO 61 Ca 0.13 -0.07 0.00 0.00 0.04 0.00 0.00 61.00 61.10 2ddj s PRO 61 Cb -0.02 -4.45 0.00 0.00 0.04 0.00 0.00 34.50 30.08 2ddj s PRO 61 CO 0.02 -2.44 0.00 0.28 0.04 0.00 0.00 177.00 174.90 2ddj n VAL 62 N 6.82 0.00 -4.46 -0.36 0.31 -1.26 -5.10 118.33 114.28 2ddj n VAL 62 Ca 0.15 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 64.18 2ddj n VAL 62 Cb 0.50 0.00 -0.12 0.00 -0.91 0.00 0.00 33.84 33.31 2ddj n VAL 62 CO 0.00 0.00 0.00 -0.69 -1.32 0.00 0.00 176.83 174.82 2ddj s VAL 63 N -1.47 2.75 -0.31 2.52 1.01 -1.26 -5.06 120.40 118.59 2ddj s VAL 63 Ca 0.00 -1.41 -0.43 0.00 0.00 0.00 0.00 61.98 60.15 2ddj s VAL 63 Cb 0.00 -2.22 -0.18 0.00 0.00 0.00 0.00 36.38 33.99 2ddj s VAL 63 CO 0.00 0.19 1.59 -0.67 0.00 0.00 0.00 175.10 176.21 2ddj n ASP 64 N 1.11 1.63 -4.04 3.32 2.03 -1.16 -4.73 116.55 114.71 2ddj n ASP 64 Ca -0.16 1.13 -0.38 0.00 0.52 0.00 0.00 54.79 55.90 2ddj n ASP 64 Cb 0.52 -1.02 -0.05 0.00 -0.72 0.00 0.00 41.12 39.86 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 4.21 2.54 -1.05 -0.67 8.25 -1.02 -4.83 115.22 122.65 2ddj n HIS 65 Ca 0.27 -1.88 -0.22 0.00 -0.26 0.00 0.00 57.72 55.63 2ddj n HIS 65 Cb 0.05 -2.17 -0.13 0.00 1.12 0.00 0.00 29.99 28.86 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 9.77 0.20 -1.95 4.41 -0.00 -1.26 -4.72 115.22 121.67 2ddj n HIS 66 Ca 0.48 0.13 -0.26 0.00 -0.00 0.00 0.00 57.72 58.08 2ddj n HIS 66 Cb 0.43 -1.01 -0.05 0.00 -0.00 0.00 0.00 29.99 29.36 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 3.16 1.65 0.66 4.41 3.76 -1.26 -4.90 115.29 122.77 2ddj s HIS 67 Ca 0.94 0.92 -0.17 0.00 -0.15 0.00 0.00 55.06 56.59 2ddj s HIS 67 Cb -0.74 -3.93 -0.01 0.00 1.11 0.00 0.00 32.58 29.01 2ddj s HIS 67 CO 0.37 -1.80 1.16 0.72 -0.85 0.00 0.00 174.74 174.34 2ddj n HIS 68 N 14.72 1.42 -4.01 1.40 8.25 -1.26 -4.97 115.22 130.77 2ddj n HIS 68 Ca 0.39 0.42 -0.10 0.00 -0.26 0.00 0.00 57.72 58.17 2ddj n HIS 68 Cb 0.47 -2.20 -0.05 0.00 1.12 0.00 0.00 29.99 29.33 2ddj n HIS 68 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddj s HIS 69 N -1.54 0.45 -2.00 4.41 -3.43 -1.26 -5.22 115.29 106.71 2ddj s HIS 69 Ca 0.79 -0.80 0.19 0.00 -0.80 0.00 0.00 55.06 54.44 2ddj s HIS 69 Cb -0.38 0.13 1.12 0.00 -1.43 0.00 0.00 32.58 32.03 2ddj s HIS 69 CO 0.44 -0.99 1.52 1.58 -2.00 0.00 0.00 174.74 175.28