#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddi n ALA 2 N 0.00 2.49 -0.10 4.31 0.00 -1.26 -4.93 120.51 121.02 2ddi n ALA 2 Ca 0.00 -0.74 -0.22 0.00 0.00 0.00 0.00 53.44 52.48 2ddi n ALA 2 Cb 0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 2ddi n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddi n GLU 3 N 0.07 0.43 0.00 0.00 4.71 -1.26 -4.58 120.64 120.02 2ddi n GLU 3 Ca -0.06 0.19 0.00 0.00 -0.01 0.00 0.00 57.16 57.28 2ddi n GLU 3 Cb 0.69 -1.22 0.00 0.00 -1.01 0.00 0.00 31.44 29.90 2ddi n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ddi n ALA 4 N -3.92 1.61 0.20 0.62 0.00 -1.19 -3.29 120.51 114.55 2ddi n ALA 4 Ca -0.40 0.00 0.08 0.00 0.00 0.00 0.00 53.44 53.12 2ddi n ALA 4 Cb 0.78 -1.00 0.34 0.00 0.00 0.00 0.00 19.45 19.57 2ddi n ALA 4 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddi h GLU 5 N 0.21 0.00 0.00 0.00 4.39 -1.91 -3.45 114.58 113.81 2ddi h GLU 5 Ca 0.00 0.00 -0.49 0.00 0.34 0.00 0.00 59.36 59.21 2ddi h GLU 5 Cb 0.03 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 28.57 2ddi h GLU 5 CO 0.00 0.27 -0.41 0.34 -1.16 0.00 0.00 179.01 178.05 2ddi n PHE 6 N -3.34 0.11 -2.22 4.33 7.35 -1.21 -5.07 117.46 117.42 2ddi n PHE 6 Ca 0.01 -2.31 -0.34 0.00 -0.76 0.00 0.00 57.45 54.04 2ddi n PHE 6 Cb 0.51 -0.00 -0.04 0.00 0.35 0.00 0.00 39.48 40.30 2ddi n PHE 6 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2ddi s THR 7 N -2.91 3.56 0.83 -2.13 2.01 -1.26 -4.98 115.64 110.76 2ddi s THR 7 Ca 0.18 -0.21 -0.12 0.00 0.31 0.00 0.00 61.69 61.85 2ddi s THR 7 Cb 0.01 -4.33 0.09 0.00 0.01 0.00 0.00 72.50 68.28 2ddi s THR 7 CO 0.13 -1.27 1.10 -0.62 -0.69 0.00 0.00 174.62 173.28 2ddi s ASP 8 N 6.86 4.17 0.62 3.53 2.15 -1.26 -4.93 116.67 127.81 2ddi s ASP 8 Ca 0.60 1.31 0.28 0.00 0.43 0.00 0.00 52.55 55.17 2ddi s ASP 8 Cb -0.07 -2.01 1.49 0.00 -0.30 0.00 0.00 42.92 42.03 2ddi s ASP 8 CO 0.05 -2.17 1.88 0.00 -0.17 0.00 0.00 175.17 174.76 2ddi h ALA 9 N -1.23 1.90 -0.73 3.66 0.00 -1.94 -1.91 119.26 119.01 2ddi h ALA 9 Ca -0.48 -0.01 0.20 0.00 0.00 0.00 0.00 54.91 54.63 2ddi h ALA 9 Cb 1.28 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 19.06 2ddi h ALA 9 CO 0.59 -0.59 0.52 0.00 0.00 0.00 0.00 179.25 179.76 2ddi h VAL 11 N 0.06 1.18 -3.03 0.00 2.07 -1.64 -3.40 116.25 111.49 2ddi h VAL 11 Ca 0.35 -2.48 -0.53 0.00 0.82 0.00 0.00 66.70 64.86 2ddi h VAL 11 Cb 1.32 2.46 0.02 0.00 -1.52 0.00 0.00 31.29 33.58 2ddi h VAL 11 CO -0.02 0.63 0.71 -0.22 0.02 0.00 0.00 177.57 178.69 2ddi s LEU 12 N -6.72 4.37 0.75 2.57 2.96 -0.04 -4.79 118.68 117.79 2ddi s LEU 12 Ca 0.02 2.31 -0.16 0.00 -0.22 0.00 0.00 54.13 56.08 2ddi s LEU 12 Cb 0.09 -3.59 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2ddi s LEU 12 CO 0.76 -0.63 0.55 -2.65 -1.32 0.00 0.00 176.35 173.06 2ddi n PRO 13 N 3.90 0.25 -2.64 0.98 -0.02 -1.26 -4.69 135.00 131.52 2ddi n PRO 13 Ca 0.11 0.13 -0.27 0.00 -2.02 0.00 0.00 63.50 61.44 2ddi n PRO 13 Cb 0.43 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.04 2ddi n PRO 13 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2ddi s ALA 14 N -1.96 3.41 0.02 3.55 0.00 -1.26 -4.76 121.76 120.75 2ddi s ALA 14 Ca 0.65 -0.53 -0.01 0.00 0.00 0.00 0.00 51.96 52.07 2ddi s ALA 14 Cb -0.33 -2.58 -0.02 0.00 0.00 0.00 0.00 23.12 20.19 2ddi s ALA 14 CO 0.58 -0.37 -0.01 0.08 0.00 0.00 0.00 175.76 176.05 2ddi s VAL 15 N -2.75 0.11 -0.01 0.00 1.01 -1.26 -5.00 120.40 112.50 2ddi s VAL 15 Ca 0.48 -0.88 -0.02 0.00 0.00 0.00 0.00 61.98 61.55 2ddi s VAL 15 Cb -0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 36.38 35.97 2ddi s VAL 15 CO 0.45 -0.49 0.40 1.56 0.00 0.00 0.00 175.10 177.02 2ddi h GLN 16 N 4.58 -0.06 0.00 2.72 4.20 -1.92 -3.41 115.11 121.22 2ddi h GLN 16 Ca -0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2ddi h GLN 16 Cb 1.21 0.01 0.00 0.00 0.30 0.00 0.00 27.48 29.00 2ddi h GLN 16 CO 0.41 -0.04 0.00 0.41 -0.67 0.00 0.00 178.83 178.94 2ddi n GLY 17 N 0.84 2.68 0.05 3.46 0.00 -1.26 -0.41 105.19 110.56 2ddi n GLY 17 Ca -0.01 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.21 2ddi n GLY 17 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2ddi n PRO 18 N -1.59 0.11 -0.65 1.61 -0.04 -1.26 -4.88 135.00 128.30 2ddi n PRO 18 Ca 0.00 0.15 -0.15 0.00 -0.04 0.00 0.00 63.50 63.46 2ddi n PRO 18 Cb 0.00 -1.65 0.12 0.00 -0.04 0.00 0.00 33.50 31.94 2ddi n PRO 18 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2ddi n ARG 20 N -2.99 0.25 -2.98 0.00 3.00 -1.26 -5.03 116.66 107.65 2ddi n ARG 20 Ca 0.08 -0.57 -0.31 0.00 -0.01 0.00 0.00 57.85 57.05 2ddi n ARG 20 Cb 0.30 -0.78 -0.04 0.00 0.00 0.00 0.00 32.46 31.94 2ddi n ARG 20 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.63 177.83 2ddi s GLY 21 N -0.20 2.03 -0.07 -0.13 0.00 -1.26 -5.08 107.32 102.60 2ddi s GLY 21 Ca 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 44.72 44.53 2ddi s GLY 21 CO 0.00 -0.00 -0.03 -0.98 0.00 0.00 0.00 173.10 172.09 2ddi s TRP 22 N -2.25 0.82 -0.23 1.90 0.23 -1.26 -4.37 118.94 113.77 2ddi s TRP 22 Ca 0.51 -0.27 0.02 0.00 -2.03 0.00 0.00 56.10 54.33 2ddi s TRP 22 Cb -0.10 -0.82 0.04 0.00 0.03 0.00 0.00 33.47 32.62 2ddi s TRP 22 CO 0.28 -0.31 -0.14 -2.00 0.96 0.00 0.00 176.95 175.75 2ddi s GLU 23 N 1.56 2.53 0.07 4.98 2.56 0.42 -4.97 118.70 125.86 2ddi s GLU 23 Ca -0.01 -1.15 -0.31 0.00 0.00 0.00 0.00 54.97 53.51 2ddi s GLU 23 Cb -0.13 -2.79 -0.06 0.00 2.00 0.00 0.00 34.13 33.15 2ddi s GLU 23 CO -0.04 -0.44 1.20 -1.25 -0.56 0.00 0.00 175.26 174.18 2ddi s PRO 24 N 1.18 4.44 0.36 4.30 0.04 -1.26 -0.87 135.00 143.18 2ddi s PRO 24 Ca -0.04 1.79 0.05 0.00 0.04 0.00 0.00 61.00 62.84 2ddi s PRO 24 Cb -0.17 -3.33 -0.03 0.00 0.04 0.00 0.00 34.50 31.00 2ddi s PRO 24 CO -0.08 -0.25 0.18 1.03 0.04 0.00 0.00 177.00 177.93 2ddi s ARG 25 N 0.94 1.79 -0.05 4.56 1.81 -0.65 -4.95 118.95 122.40 2ddi s ARG 25 Ca 0.58 -2.06 0.02 0.00 -1.72 0.00 0.00 55.73 52.55 2ddi s ARG 25 Cb -0.30 -0.21 -0.03 0.00 -0.45 0.00 0.00 34.95 33.97 2ddi s ARG 25 CO 0.30 -0.52 -0.08 -1.58 -0.68 0.00 0.00 175.30 172.74 2ddi s TRP 26 N -3.39 2.89 0.02 -0.53 0.52 -0.67 -0.45 118.94 117.33 2ddi s TRP 26 Ca 0.32 -0.02 0.02 0.00 0.02 0.00 0.00 56.10 56.44 2ddi s TRP 26 Cb 0.03 -1.67 -0.01 0.00 -1.15 0.00 0.00 33.47 30.67 2ddi s TRP 26 CO 0.19 0.32 -0.08 0.00 0.02 0.00 0.00 176.95 177.40 2ddi s ALA 27 N -0.85 0.63 0.22 0.98 0.00 -0.35 -0.10 121.76 122.29 2ddi s ALA 27 Ca 0.13 -0.52 -0.26 0.00 0.00 0.00 0.00 51.96 51.32 2ddi s ALA 27 Cb -0.11 -0.08 -0.09 0.00 0.00 0.00 0.00 23.12 22.85 2ddi s ALA 27 CO 0.03 0.09 0.84 -0.47 0.00 0.00 0.00 175.76 176.24 2ddi s TYR 28 N -0.67 3.86 -0.25 0.00 5.04 -1.26 -1.10 117.35 122.97 2ddi s TYR 28 Ca -0.02 1.69 0.00 0.00 -2.44 0.00 0.00 57.07 56.30 2ddi s TYR 28 Cb -0.06 -2.82 0.04 0.00 0.35 0.00 0.00 41.96 39.47 2ddi s TYR 28 CO 0.00 0.43 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.44 2ddi s SER 29 N -1.30 4.31 0.26 4.32 0.01 0.42 -4.77 113.70 116.95 2ddi s SER 29 Ca 0.40 -1.09 0.04 0.00 1.31 0.00 0.00 55.95 56.61 2ddi s SER 29 Cb -0.22 -1.61 0.35 0.00 0.21 0.00 0.00 66.02 64.75 2ddi s SER 29 CO 0.26 -0.16 1.65 1.55 0.41 0.00 0.00 173.24 176.96 2ddi h PRO 30 N 7.92 0.35 0.00 12.44 0.13 -1.82 0.69 132.00 151.71 2ddi h PRO 30 Ca -0.28 -0.18 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ddi h PRO 30 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.72 0.00 -0.07 -0.23 0.00 0.00 178.00 178.96 2ddi h LEU 31 N 0.29 0.00 -0.64 1.56 3.38 -1.94 -1.07 115.31 116.89 2ddi h LEU 31 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 2ddi h LEU 31 Cb 0.87 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.62 2ddi h LEU 31 CO 0.07 0.00 -0.21 0.18 0.09 0.00 0.00 178.44 178.57 2ddi n LEU 32 N -2.43 1.05 -3.75 1.67 4.77 -0.88 -5.00 117.00 112.43 2ddi n LEU 32 Ca 0.00 -0.73 -0.29 0.00 -0.03 0.00 0.00 56.01 54.96 2ddi n LEU 32 Cb 0.15 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.23 2ddi n LEU 32 CO 0.17 0.22 -0.03 1.67 -1.33 0.00 0.00 177.39 178.09 2ddi n GLN 33 N -0.39 -3.27 -3.69 3.23 7.27 0.16 -4.91 117.38 115.78 2ddi n GLN 33 Ca 0.03 0.40 -0.08 0.00 0.07 0.00 0.00 57.00 57.42 2ddi n GLN 33 Cb 0.18 -5.12 -0.02 0.00 2.41 0.00 0.00 30.24 27.69 2ddi n GLN 33 CO 0.00 0.00 0.00 -1.14 0.07 0.00 0.00 177.06 175.99 2ddi s GLN 34 N -6.42 1.53 0.06 3.69 0.74 -0.73 -4.97 119.66 113.56 2ddi s GLN 34 Ca 0.55 -0.76 0.00 0.00 0.05 0.00 0.00 55.36 55.21 2ddi s GLN 34 Cb -0.30 0.58 -0.04 0.00 1.10 0.00 0.00 33.01 34.35 2ddi s GLN 34 CO 0.68 -0.69 0.18 0.00 -0.55 0.00 0.00 175.29 174.91 2ddi s HIS 36 N -1.46 0.33 0.90 0.00 -3.43 -0.26 -4.96 115.29 106.42 2ddi s HIS 36 Ca 0.33 -0.70 -0.11 0.00 -0.80 0.00 0.00 55.06 53.78 2ddi s HIS 36 Cb -0.13 -0.25 0.14 0.00 -1.43 0.00 0.00 32.58 30.91 2ddi s HIS 36 CO 0.26 -0.29 1.11 -2.14 -2.00 0.00 0.00 174.74 171.67 2ddi s PRO 37 N -2.50 1.16 0.10 -0.38 0.02 -1.26 -1.21 135.00 130.92 2ddi s PRO 37 Ca -0.06 1.22 -0.20 0.00 0.02 0.00 0.00 61.00 61.98 2ddi s PRO 37 Cb -0.02 -1.77 0.05 0.00 0.02 0.00 0.00 34.50 32.78 2ddi s PRO 37 CO -0.05 -2.43 0.49 -0.59 -0.33 0.00 0.00 177.00 174.09 2ddi s PHE 38 N -2.75 -0.37 -0.02 6.54 -0.71 0.41 -4.77 117.98 116.32 2ddi s PHE 38 Ca 0.65 0.23 -0.27 0.00 -1.04 0.00 0.00 56.93 56.51 2ddi s PHE 38 Cb -0.21 0.35 -0.04 0.00 -1.21 0.00 0.00 43.02 41.92 2ddi s PHE 38 CO 0.58 -0.70 0.84 0.08 -1.34 0.00 0.00 175.22 174.67 2ddi s VAL 39 N -3.17 4.91 0.27 -2.49 1.01 -1.26 -1.64 120.40 118.03 2ddi s VAL 39 Ca -0.01 1.75 0.08 0.00 0.00 0.00 0.00 61.98 63.79 2ddi s VAL 39 Cb 0.00 -4.18 -0.06 0.00 0.00 0.00 0.00 36.38 32.15 2ddi s VAL 39 CO -0.07 0.23 -0.09 -0.47 0.00 0.00 0.00 175.10 174.69 2ddi s TYR 40 N 0.75 1.98 -2.19 5.22 5.04 -0.05 -4.09 117.35 123.99 2ddi s TYR 40 Ca 0.44 -0.62 0.18 0.00 -2.44 0.00 0.00 57.07 54.63 2ddi s TYR 40 Cb -0.20 -1.06 0.14 0.00 0.35 0.00 0.00 41.96 41.19 2ddi s TYR 40 CO 0.23 0.37 1.06 0.41 -1.34 0.00 0.00 175.55 176.28 2ddi n GLY 41 N -0.57 0.33 4.25 8.97 0.00 0.46 -0.44 105.19 118.19 2ddi n GLY 41 Ca -0.06 -0.51 0.00 0.00 0.00 0.00 0.00 46.02 45.45 2ddi n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2ddi n GLY 42 N 1.00 1.41 1.08 -0.02 0.00 -1.26 -4.62 105.19 102.78 2ddi n GLY 42 Ca 0.10 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.05 2ddi n GLY 42 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2ddi n GLU 44 N -1.59 0.00 -2.31 0.00 4.71 -1.26 -4.90 120.64 115.29 2ddi n GLU 44 Ca 0.05 0.00 0.01 0.00 -0.01 0.00 0.00 57.16 57.20 2ddi n GLU 44 Cb 0.16 -0.91 0.00 0.00 -1.01 0.00 0.00 31.44 29.69 2ddi n GLU 44 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2ddi n GLY 45 N 1.16 0.58 3.99 0.62 0.00 -1.26 -4.01 105.19 106.28 2ddi n GLY 45 Ca 0.13 -0.89 -0.22 0.00 0.00 0.00 0.00 46.02 45.04 2ddi n GLY 45 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2ddi s ASN 46 N -1.65 4.72 0.00 1.61 -0.87 -1.26 -5.01 114.94 112.48 2ddi s ASN 46 Ca 0.07 -0.34 0.26 0.00 -1.57 0.00 0.00 52.86 51.28 2ddi s ASN 46 Cb -0.00 -0.21 0.74 0.00 -0.02 0.00 0.00 41.25 41.76 2ddi s ASN 46 CO -0.00 -1.58 1.58 0.61 -2.57 0.00 0.00 177.10 175.14 2ddi n GLY 47 N -2.60 -1.30 3.58 0.66 0.00 -1.26 -4.53 105.19 99.74 2ddi n GLY 47 Ca 0.13 -0.28 -0.34 0.00 0.00 0.00 0.00 46.02 45.53 2ddi n GLY 47 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2ddi s ASN 48 N -2.97 5.75 -0.15 1.61 3.84 -1.26 -4.82 114.94 116.93 2ddi s ASN 48 Ca 0.13 -1.88 -0.04 0.00 0.21 0.00 0.00 52.86 51.27 2ddi s ASN 48 Cb 0.18 -2.58 0.07 0.00 -0.55 0.00 0.00 41.25 38.36 2ddi s ASN 48 CO 0.64 -2.31 0.14 0.21 -2.79 0.00 0.00 177.10 172.99 2ddi s ASN 49 N 5.70 1.59 0.29 -4.21 3.84 -1.26 -4.63 114.94 116.26 2ddi s ASN 49 Ca 0.62 -0.22 0.11 0.00 0.21 0.00 0.00 52.86 53.58 2ddi s ASN 49 Cb 0.01 0.08 -0.05 0.00 -0.55 0.00 0.00 41.25 40.73 2ddi s ASN 49 CO 0.10 -0.31 -0.12 -0.36 -2.79 0.00 0.00 177.10 173.61 2ddi s PHE 50 N 2.23 2.42 -0.24 0.43 0.08 0.86 -4.95 117.98 118.81 2ddi s PHE 50 Ca 0.04 -0.35 0.22 0.00 0.12 0.00 0.00 56.93 56.97 2ddi s PHE 50 Cb -0.15 -1.15 -0.08 0.00 -0.57 0.00 0.00 43.02 41.08 2ddi s PHE 50 CO -0.09 0.65 0.90 0.72 -0.10 0.00 0.00 175.22 177.30 2ddi n HIS 51 N -0.74 0.61 -3.73 0.36 8.25 -1.26 -1.67 115.22 117.03 2ddi n HIS 51 Ca -0.05 0.18 -0.04 0.00 -0.26 0.00 0.00 57.72 57.54 2ddi n HIS 51 Cb 0.61 -0.76 -0.01 0.00 1.12 0.00 0.00 29.99 30.94 2ddi n HIS 51 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 2ddi s SER 52 N -4.91 -0.21 0.13 0.41 1.04 -1.26 -4.86 113.70 104.04 2ddi s SER 52 Ca -0.02 -0.37 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 2ddi s SER 52 Cb 0.11 0.50 -0.04 0.00 0.10 0.00 0.00 66.02 66.70 2ddi s SER 52 CO 0.82 -0.91 1.75 -0.09 0.98 0.00 0.00 173.24 175.79 2ddi h ARG 53 N 2.00 0.38 -0.08 4.02 9.65 -1.97 -2.59 114.38 125.78 2ddi h ARG 53 Ca -0.24 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 2ddi h ARG 53 Cb 1.23 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.71 2ddi h ARG 53 CO 0.26 0.30 -0.19 1.49 2.80 0.00 0.00 179.97 184.63 2ddi h GLU 54 N 0.36 -0.17 -0.34 0.20 4.22 -1.98 -0.55 114.58 116.31 2ddi h GLU 54 Ca 0.10 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.55 2ddi h GLU 54 Cb 0.01 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.29 2ddi h GLU 54 CO -0.02 -0.11 0.20 0.66 -2.18 0.00 0.00 179.01 177.55 2ddi h SER 55 N -0.18 0.40 0.04 1.04 4.64 -1.94 0.12 113.55 117.67 2ddi h SER 55 Ca 0.02 -0.02 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.22 -0.10 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2ddi h SER 55 CO -0.17 0.32 -0.02 0.00 -0.87 0.00 0.00 176.83 176.09 2ddi h GLU 57 N -0.53 0.28 0.00 0.00 5.08 -0.68 -0.70 114.58 118.04 2ddi h GLU 57 Ca -0.01 -0.13 -0.09 0.00 -1.00 0.00 0.00 59.36 58.13 2ddi h GLU 57 Cb 0.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ddi h GLU 57 CO 0.01 0.65 -0.43 0.22 -1.00 0.00 0.00 179.01 178.46 2ddi h ASP 58 N 0.24 0.00 0.19 1.42 3.58 -0.79 -1.98 116.42 119.08 2ddi h ASP 58 Ca 0.02 0.00 -0.01 0.00 0.42 0.00 0.00 57.03 57.46 2ddi h ASP 58 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2ddi h ASP 58 CO 0.06 0.43 -0.09 0.00 -2.88 0.00 0.00 179.24 176.76 2ddi h ALA 59 N 1.57 -0.26 -3.00 -0.78 0.00 -0.29 -1.72 119.26 114.79 2ddi h ALA 59 Ca -0.00 -0.21 -0.62 0.00 0.00 0.00 0.00 54.91 54.08 2ddi h ALA 59 Cb 0.81 0.10 -0.41 0.00 0.00 0.00 0.00 17.79 18.28 2ddi h ALA 59 CO 0.06 -0.39 -0.62 0.00 0.00 0.00 0.00 179.25 178.29 2ddi n PRO 61 N 2.10 0.76 0.00 0.00 -0.04 -0.75 -4.64 135.00 132.43 2ddi n PRO 61 Ca 0.21 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.67 2ddi n PRO 61 Cb 0.36 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.82 2ddi n PRO 61 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2ddi n VAL 62 N -0.71 0.00 -1.50 0.52 0.31 -1.26 -5.03 118.33 110.66 2ddi n VAL 62 Ca 0.00 0.00 -0.38 0.00 -0.01 0.00 0.00 64.34 63.95 2ddi n VAL 62 Cb 0.00 -0.52 0.04 0.00 -0.91 0.00 0.00 33.84 32.45 2ddi n VAL 62 CO 0.00 0.00 0.00 0.52 -1.32 0.00 0.00 176.83 176.03 2ddi n VAL 63 N 0.00 2.54 -1.36 2.52 0.31 -1.26 -4.77 118.33 116.32 2ddi n VAL 63 Ca 0.00 -0.50 -0.53 0.00 -0.01 0.00 0.00 64.34 63.30 2ddi n VAL 63 Cb 0.00 -0.79 -0.08 0.00 -0.91 0.00 0.00 33.84 32.06 2ddi n VAL 63 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2ddi n ASP 64 N 0.28 0.68 -4.62 4.52 -0.08 -1.26 -4.81 116.55 111.26 2ddi n ASP 64 Ca 0.12 0.96 -0.43 0.00 -1.51 0.00 0.00 54.79 53.93 2ddi n ASP 64 Cb 0.47 -0.72 -0.03 0.00 2.34 0.00 0.00 41.12 43.17 2ddi n ASP 64 CO 0.00 0.00 0.00 -1.00 0.12 0.00 0.00 177.20 176.32 2ddi s HIS 65 N 1.68 1.23 -0.47 -0.67 3.76 -1.26 -4.58 115.29 114.97 2ddi s HIS 65 Ca 0.82 0.17 -0.04 0.00 -0.15 0.00 0.00 55.06 55.86 2ddi s HIS 65 Cb -1.16 -4.05 -0.16 0.00 1.11 0.00 0.00 32.58 28.32 2ddi s HIS 65 CO 0.60 -4.60 1.19 1.58 -0.85 0.00 0.00 174.74 172.67 2ddi n HIS 66 N 10.11 0.00 0.00 1.40 -0.00 -1.26 -4.63 115.22 120.84 2ddi n HIS 66 Ca 0.26 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.44 2ddi n HIS 66 Cb 0.44 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 2ddi n HIS 66 CO 0.00 0.00 0.00 0.72 0.46 0.00 0.00 176.34 177.52 2ddi n HIS 67 N 3.39 0.00 0.00 1.57 8.25 -1.26 -5.09 115.22 122.08 2ddi n HIS 67 Ca 0.32 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.78 2ddi n HIS 67 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 2ddi n HIS 67 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddi n HIS 68 N 0.00 0.00 0.27 4.41 -0.00 -1.26 -5.05 115.22 113.59 2ddi n HIS 68 Ca 0.00 0.00 0.15 0.00 0.46 0.00 0.00 57.72 58.33 2ddi n HIS 68 Cb 0.00 0.00 0.69 0.00 -0.12 0.00 0.00 29.99 30.56 2ddi n HIS 68 CO 0.00 0.00 0.00 1.12 0.46 0.00 0.00 176.34 177.92 2ddi h HIS 69 N 0.00 0.00 0.00 1.57 2.07 -1.91 -3.54 115.15 113.34 2ddi h HIS 69 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 2ddi h HIS 69 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 2ddi h HIS 69 CO 0.00 0.09 0.00 1.58 -3.07 0.00 0.00 177.93 176.53