#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 0.03 -0.01 -1.84 0.00 -1.26 -4.95 120.51 112.48 2ddi n ALA 2 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.34 2ddi n ALA 2 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 2ddi n ALA 2 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 2ddi h GLU 3 N 0.00 -0.08 -5.45 0.00 3.07 -1.97 -3.47 114.58 106.67 2ddi h GLU 3 Ca 0.00 0.01 -0.65 0.00 -0.50 0.00 0.00 59.36 58.22 2ddi h GLU 3 Cb 0.00 0.02 -0.10 0.00 -0.84 0.00 0.00 28.75 27.82 2ddi h GLU 3 CO 0.00 0.49 -0.45 0.00 -1.40 0.00 0.00 179.01 177.64 2ddi s ALA 4 N -3.01 4.17 0.62 3.43 0.00 -1.26 -4.92 121.76 120.78 2ddi s ALA 4 Ca -0.13 -0.75 0.31 0.00 0.00 0.00 0.00 51.96 51.39 2ddi s ALA 4 Cb -0.01 -0.21 1.72 0.00 0.00 0.00 0.00 23.12 24.62 2ddi s ALA 4 CO 0.49 -0.15 2.05 0.93 0.00 0.00 0.00 175.76 179.08 2ddi h GLU 5 N 1.18 0.00 -4.01 0.00 5.08 -1.95 -3.39 114.58 111.49 2ddi h GLU 5 Ca -0.42 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 57.82 2ddi h GLU 5 Cb 1.31 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 30.42 2ddi h GLU 5 CO 0.69 0.00 -0.41 0.12 -1.00 0.00 0.00 179.01 178.41 2ddi s PHE 6 N -4.43 0.49 -0.44 4.33 5.36 -1.26 -4.72 117.98 117.31 2ddi s PHE 6 Ca -0.04 -0.86 0.03 0.00 -0.96 0.00 0.00 56.93 55.10 2ddi s PHE 6 Cb 0.13 -0.16 0.12 0.00 -0.34 0.00 0.00 43.02 42.77 2ddi s PHE 6 CO 0.46 -0.65 0.18 0.99 -1.46 0.00 0.00 175.22 174.74 2ddi s THR 7 N -3.98 2.12 0.84 0.12 2.01 -1.26 -4.44 115.64 111.06 2ddi s THR 7 Ca 0.17 -2.73 -0.12 0.00 0.31 0.00 0.00 61.69 59.32 2ddi s THR 7 Cb 0.05 -2.51 0.10 0.00 0.01 0.00 0.00 72.50 70.14 2ddi s THR 7 CO -0.01 -0.75 1.18 -0.62 -0.69 0.00 0.00 174.62 173.73 2ddi s ASP 8 N 0.33 4.21 0.31 3.53 2.15 -1.26 -4.80 116.67 121.14 2ddi s ASP 8 Ca 0.15 0.77 0.07 0.00 0.43 0.00 0.00 52.55 53.97 2ddi s ASP 8 Cb -0.23 -1.24 0.84 0.00 -0.30 0.00 0.00 42.92 41.99 2ddi s ASP 8 CO -0.04 -2.09 1.68 0.00 -0.17 0.00 0.00 175.17 174.55 2ddi h ALA 9 N -1.18 1.57 0.00 3.66 0.00 -1.94 -0.87 119.26 120.50 2ddi h ALA 9 Ca -0.47 0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.60 2ddi h ALA 9 Cb 1.32 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.28 2ddi h ALA 9 CO 0.63 -0.42 -0.13 0.00 0.00 0.00 0.00 179.25 179.34 2ddi h VAL 11 N 0.00 1.22 -2.86 0.00 2.07 -1.43 -3.38 116.25 111.87 2ddi h VAL 11 Ca -0.00 -2.12 -0.54 0.00 0.82 0.00 0.00 66.70 64.86 2ddi h VAL 11 Cb 0.24 2.21 0.00 0.00 -1.52 0.00 0.00 31.29 32.22 2ddi h VAL 11 CO 0.02 0.57 0.87 -0.22 0.02 0.00 0.00 177.57 178.82 2ddi s LEU 12 N -7.15 4.33 0.76 2.57 2.96 -0.27 -4.51 118.68 117.37 2ddi s LEU 12 Ca 0.00 2.21 -0.16 0.00 -0.22 0.00 0.00 54.13 55.97 2ddi s LEU 12 Cb 0.11 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 43.19 2ddi s LEU 12 CO 0.74 -0.75 0.38 -2.65 -1.32 0.00 0.00 176.35 172.75 2ddi n PRO 13 N 5.34 0.18 -1.79 0.98 -0.02 -1.26 -4.75 135.00 133.68 2ddi n PRO 13 Ca 0.14 0.10 -0.31 0.00 -2.02 0.00 0.00 63.50 61.41 2ddi n PRO 13 Cb 0.43 -1.73 0.03 0.00 -0.02 0.00 0.00 33.50 32.21 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 -1.99 2.94 0.04 3.55 0.00 -1.26 -4.91 121.76 120.13 2ddi s ALA 14 Ca 0.62 -0.10 0.03 0.00 0.00 0.00 0.00 51.96 52.51 2ddi s ALA 14 Cb -0.33 -3.09 -0.02 0.00 0.00 0.00 0.00 23.12 19.68 2ddi s ALA 14 CO 0.61 -0.93 -0.09 0.08 0.00 0.00 0.00 175.76 175.44 2ddi s VAL 15 N -3.18 0.63 -0.06 0.00 1.01 -1.26 -5.03 120.40 112.51 2ddi s VAL 15 Ca 0.56 -1.02 -0.17 0.00 0.00 0.00 0.00 61.98 61.35 2ddi s VAL 15 Cb -0.12 -0.66 -0.12 0.00 0.00 0.00 0.00 36.38 35.48 2ddi s VAL 15 CO 0.54 -0.29 0.68 1.56 0.00 0.00 0.00 175.10 177.59 2ddi h GLN 16 N 4.64 -0.25 0.00 2.72 4.20 -1.91 -3.42 115.11 121.09 2ddi h GLN 16 Ca -0.36 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.37 2ddi h GLN 16 Cb 1.20 0.06 0.00 0.00 0.30 0.00 0.00 27.48 29.04 2ddi h GLN 16 CO 0.42 0.08 0.00 0.41 -0.67 0.00 0.00 178.83 179.07 2ddi n GLY 17 N 0.76 2.17 0.25 3.46 0.00 -1.25 -0.53 105.19 110.06 2ddi n GLY 17 Ca -0.07 -2.17 -0.05 0.00 0.00 0.00 0.00 46.02 43.74 2ddi n GLY 17 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2ddi h PRO 18 N 0.00 0.60 -7.26 1.61 0.13 -1.91 -3.45 132.00 121.72 2ddi h PRO 18 Ca 0.00 -0.22 -0.52 0.00 -0.87 0.00 0.00 66.00 64.39 2ddi h PRO 18 Cb 0.00 -0.04 0.16 0.00 0.13 0.00 0.00 31.00 31.25 2ddi h PRO 18 CO 0.00 0.77 0.29 0.00 -0.23 0.00 0.00 178.00 178.83 2ddi n ARG 20 N -3.61 1.63 -1.96 0.00 3.00 -1.26 -4.76 116.66 109.70 2ddi n ARG 20 Ca 0.11 -1.63 -0.33 0.00 -0.01 0.00 0.00 57.85 55.99 2ddi n ARG 20 Cb 0.52 -1.28 0.02 0.00 0.00 0.00 0.00 32.46 31.73 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 -1.06 2.21 -0.28 -0.13 0.00 -1.26 -5.03 107.32 101.77 2ddi s GLY 21 Ca 0.20 0.52 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2ddi s GLY 21 CO 0.17 0.86 0.01 -0.98 0.00 0.00 0.00 173.10 173.16 2ddi s TRP 22 N -2.30 2.68 -0.29 1.90 0.23 -1.26 -4.14 118.94 115.76 2ddi s TRP 22 Ca 0.66 -2.14 -0.12 0.00 -2.03 0.00 0.00 56.10 52.47 2ddi s TRP 22 Cb -0.19 -2.02 -0.04 0.00 0.03 0.00 0.00 33.47 31.25 2ddi s TRP 22 CO 0.37 -0.85 0.23 -2.00 0.96 0.00 0.00 176.95 175.66 2ddi s GLU 23 N 1.29 3.89 -0.02 4.98 2.56 0.20 -4.95 118.70 126.64 2ddi s GLU 23 Ca 0.02 -0.31 -0.30 0.00 0.00 0.00 0.00 54.97 54.38 2ddi s GLU 23 Cb -0.19 -3.68 -0.04 0.00 2.00 0.00 0.00 34.13 32.22 2ddi s GLU 23 CO -0.11 -0.24 1.27 -1.25 -0.56 0.00 0.00 175.26 174.37 2ddi s PRO 24 N 1.81 4.33 0.39 4.30 0.04 -1.26 -0.85 135.00 143.77 2ddi s PRO 24 Ca 0.08 1.79 0.04 0.00 0.04 0.00 0.00 61.00 62.95 2ddi s PRO 24 Cb -0.16 -3.54 -0.03 0.00 0.04 0.00 0.00 34.50 30.81 2ddi s PRO 24 CO 0.11 -0.48 0.13 1.03 0.04 0.00 0.00 177.00 177.83 2ddi s ARG 25 N 2.17 1.89 -0.04 4.56 1.81 -0.58 -4.95 118.95 123.82 2ddi s ARG 25 Ca 0.59 -2.14 0.03 0.00 -1.72 0.00 0.00 55.73 52.49 2ddi s ARG 25 Cb -0.28 -0.59 -0.03 0.00 -0.45 0.00 0.00 34.95 33.60 2ddi s ARG 25 CO 0.24 -0.45 -0.11 -1.58 -0.68 0.00 0.00 175.30 172.72 2ddi s TRP 26 N -3.24 2.79 0.03 -0.53 0.52 -0.64 -0.20 118.94 117.66 2ddi s TRP 26 Ca 0.26 -0.09 0.01 0.00 0.02 0.00 0.00 56.10 56.30 2ddi s TRP 26 Cb 0.03 -1.63 -0.02 0.00 -1.15 0.00 0.00 33.47 30.70 2ddi s TRP 26 CO 0.15 0.27 -0.05 0.00 0.02 0.00 0.00 176.95 177.33 2ddi s ALA 27 N -0.82 0.38 0.01 0.98 0.00 -0.37 -0.10 121.76 121.85 2ddi s ALA 27 Ca 0.13 -0.57 -0.25 0.00 0.00 0.00 0.00 51.96 51.28 2ddi s ALA 27 Cb -0.11 0.04 -0.05 0.00 0.00 0.00 0.00 23.12 23.01 2ddi s ALA 27 CO 0.02 -0.03 0.76 -0.47 0.00 0.00 0.00 175.76 176.04 2ddi s TYR 28 N -1.08 3.69 -0.25 0.00 5.04 -1.26 -0.97 117.35 122.52 2ddi s TYR 28 Ca -0.09 1.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.97 2ddi s TYR 28 Cb -0.08 -2.83 0.04 0.00 0.35 0.00 0.00 41.96 39.44 2ddi s TYR 28 CO -0.00 0.21 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.21 2ddi s SER 29 N 0.23 4.25 0.26 4.32 0.01 -0.19 -4.70 113.70 117.88 2ddi s SER 29 Ca 0.39 -1.08 0.01 0.00 1.31 0.00 0.00 55.95 56.58 2ddi s SER 29 Cb -0.20 -1.60 0.33 0.00 0.21 0.00 0.00 66.02 64.76 2ddi s SER 29 CO 0.22 -0.15 1.67 1.55 0.41 0.00 0.00 173.24 176.94 2ddi h PRO 30 N 7.91 0.52 0.00 12.44 0.13 -1.82 -0.34 132.00 150.84 2ddi h PRO 30 Ca -0.28 -0.22 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2ddi h PRO 30 Cb 1.08 -0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ddi h PRO 30 CO 0.54 0.77 0.00 -0.07 -0.23 0.00 0.00 178.00 179.01 2ddi h LEU 31 N 0.45 0.00 -1.05 1.56 4.07 -1.93 -0.20 115.31 118.20 2ddi h LEU 31 Ca 0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 58.02 2ddi h LEU 31 Cb 0.76 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.50 2ddi h LEU 31 CO 0.06 0.00 -0.35 0.18 -1.08 0.00 0.00 178.44 177.25 2ddi n LEU 32 N -3.04 1.93 -2.43 1.67 4.77 -0.95 -4.99 117.00 113.96 2ddi n LEU 32 Ca -0.01 -0.79 -0.13 0.00 -0.03 0.00 0.00 56.01 55.05 2ddi n LEU 32 Cb 0.22 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.31 2ddi n LEU 32 CO 0.24 0.36 -0.17 1.67 -1.33 0.00 0.00 177.39 178.16 2ddi n GLN 33 N 0.08 -2.16 -3.68 3.23 7.27 -0.09 -4.90 117.38 117.12 2ddi n GLN 33 Ca 0.08 0.64 -0.06 0.00 0.07 0.00 0.00 57.00 57.74 2ddi n GLN 33 Cb 0.41 -5.25 -0.02 0.00 2.41 0.00 0.00 30.24 27.80 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 -5.03 1.21 0.14 3.69 0.74 -0.62 -4.92 119.66 114.88 2ddi s GLN 34 Ca 0.00 -0.61 -0.09 0.00 0.05 0.00 0.00 55.36 54.71 2ddi s GLN 34 Cb 0.00 0.45 -0.06 0.00 1.10 0.00 0.00 33.01 34.50 2ddi s GLN 34 CO 0.00 -0.55 0.46 0.00 -0.55 0.00 0.00 175.29 174.65 2ddi s HIS 36 N -1.57 0.23 0.84 0.00 -3.43 -0.14 -4.95 115.29 106.26 2ddi s HIS 36 Ca 0.39 -0.52 -0.10 0.00 -0.80 0.00 0.00 55.06 54.03 2ddi s HIS 36 Cb -0.13 -0.17 0.10 0.00 -1.43 0.00 0.00 32.58 30.95 2ddi s HIS 36 CO 0.20 -0.32 1.12 -2.14 -2.00 0.00 0.00 174.74 171.60 2ddi s PRO 37 N -2.35 1.66 0.13 -0.38 0.02 -1.26 -1.24 135.00 131.58 2ddi s PRO 37 Ca -0.07 1.34 -0.16 0.00 0.02 0.00 0.00 61.00 62.13 2ddi s PRO 37 Cb -0.03 -1.82 0.03 0.00 0.02 0.00 0.00 34.50 32.71 2ddi s PRO 37 CO -0.04 -2.12 0.40 -0.59 -0.33 0.00 0.00 177.00 174.33 2ddi s PHE 38 N -2.79 -0.19 -0.38 6.54 -0.71 0.72 -4.79 117.98 116.39 2ddi s PHE 38 Ca 0.64 -0.14 -0.22 0.00 -1.04 0.00 0.00 56.93 56.17 2ddi s PHE 38 Cb -0.20 0.26 0.01 0.00 -1.21 0.00 0.00 43.02 41.88 2ddi s PHE 38 CO 0.57 -0.71 0.72 0.08 -1.34 0.00 0.00 175.22 174.54 2ddi s VAL 39 N -3.81 4.79 0.38 -2.49 1.01 -1.26 -1.52 120.40 117.49 2ddi s VAL 39 Ca 0.03 0.66 0.08 0.00 0.00 0.00 0.00 61.98 62.75 2ddi s VAL 39 Cb 0.02 -4.18 -0.03 0.00 0.00 0.00 0.00 36.38 32.20 2ddi s VAL 39 CO -0.11 -0.44 0.31 -0.47 0.00 0.00 0.00 175.10 174.39 2ddi s TYR 40 N 2.96 2.77 0.00 5.22 5.04 -0.03 -4.31 117.35 129.01 2ddi s TYR 40 Ca 0.28 -0.42 0.00 0.00 -2.44 0.00 0.00 57.07 54.49 2ddi s TYR 40 Cb -0.14 -1.97 0.00 0.00 0.35 0.00 0.00 41.96 40.21 2ddi s TYR 40 CO 0.17 0.06 0.95 0.41 -1.34 0.00 0.00 175.55 175.80 2ddi n GLY 41 N -1.42 2.52 3.95 8.97 0.00 0.31 -0.63 105.19 118.89 2ddi n GLY 41 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.03 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 -0.45 1.08 1.17 -0.02 0.00 -1.26 -4.58 105.19 101.13 2ddi n GLY 42 Ca 0.00 -0.01 -0.09 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.85 0.00 -0.84 0.00 4.71 -1.26 -4.84 120.64 116.56 2ddi n GLU 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2ddi n GLU 44 Cb 0.18 -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 1.19 1.99 3.99 0.62 0.00 -1.26 -3.81 105.19 107.89 2ddi n GLY 45 Ca 0.13 -0.91 -0.22 0.00 0.00 0.00 0.00 46.02 45.03 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 -0.17 4.91 0.26 1.61 0.01 -1.26 -4.99 114.94 115.31 2ddi s ASN 46 Ca 0.00 -0.21 0.25 0.00 -0.71 0.00 0.00 52.86 52.19 2ddi s ASN 46 Cb 0.00 -0.46 0.90 0.00 0.41 0.00 0.00 41.25 42.10 2ddi s ASN 46 CO 0.00 -1.43 1.75 1.23 -1.51 0.00 0.00 177.10 177.14 2ddi h GLY 47 N -0.14 0.00 -7.62 0.66 0.00 -1.95 -3.38 103.07 90.64 2ddi h GLY 47 Ca -0.39 0.00 -0.51 0.00 0.00 0.00 0.00 47.33 46.43 2ddi h GLY 47 CO 0.47 0.00 1.68 -2.01 0.00 0.00 0.00 176.54 176.67 2ddi n ASN 48 N -2.33 4.00 -3.52 0.19 2.85 -1.26 -4.81 115.26 110.38 2ddi n ASN 48 Ca 0.04 -2.81 -0.15 0.00 -0.11 0.00 0.00 54.58 51.54 2ddi n ASN 48 Cb 0.34 -1.74 -0.12 0.00 1.24 0.00 0.00 39.78 39.50 2ddi n ASN 48 CO 0.00 0.00 0.00 0.21 -2.11 0.00 0.00 177.26 175.36 2ddi s ASN 49 N 5.30 0.89 0.31 1.20 3.84 -1.26 -4.70 114.94 120.52 2ddi s ASN 49 Ca 0.61 0.09 0.11 0.00 0.21 0.00 0.00 52.86 53.88 2ddi s ASN 49 Cb 0.02 0.59 -0.06 0.00 -0.55 0.00 0.00 41.25 41.25 2ddi s ASN 49 CO 0.11 -0.30 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.61 2ddi s PHE 50 N 2.39 2.32 -0.21 0.43 0.40 0.86 -4.95 117.98 119.21 2ddi s PHE 50 Ca 0.06 -0.42 0.22 0.00 -0.60 0.00 0.00 56.93 56.19 2ddi s PHE 50 Cb -0.15 -1.16 -0.10 0.00 0.51 0.00 0.00 43.02 42.12 2ddi s PHE 50 CO -0.11 0.64 0.87 0.72 0.70 0.00 0.00 175.22 178.03 2ddi n HIS 51 N -0.69 0.60 -3.79 0.36 8.25 -1.26 -1.62 115.22 117.06 2ddi n HIS 51 Ca -0.05 0.17 -0.06 0.00 -0.26 0.00 0.00 57.72 57.53 2ddi n HIS 51 Cb 0.62 -0.77 -0.02 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 -4.95 -0.24 0.08 0.41 1.04 -1.26 -4.83 113.70 103.94 2ddi s SER 52 Ca -0.02 -0.49 -0.22 0.00 0.48 0.00 0.00 55.95 55.69 2ddi s SER 52 Cb 0.11 0.62 -0.14 0.00 0.10 0.00 0.00 66.02 66.72 2ddi s SER 52 CO 0.83 -1.14 1.67 -0.09 0.98 0.00 0.00 173.24 175.48 2ddi h ARG 53 N 2.00 0.09 -0.13 4.02 9.65 -1.97 -2.70 114.38 125.33 2ddi h ARG 53 Ca -0.22 -0.01 0.02 0.00 -1.10 0.00 0.00 59.98 58.67 2ddi h ARG 53 Cb 1.24 -0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.78 2ddi h ARG 53 CO 0.25 0.15 -0.19 1.49 2.80 0.00 0.00 179.97 184.47 2ddi h GLU 54 N 0.00 -0.14 -0.32 0.20 4.22 -1.98 -0.83 114.58 115.73 2ddi h GLU 54 Ca 0.02 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.47 2ddi h GLU 54 Cb 0.09 0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2ddi h GLU 54 CO -0.00 -0.09 0.19 0.66 -2.18 0.00 0.00 179.01 177.59 2ddi h SER 55 N -0.14 0.37 0.11 1.04 4.64 -1.95 0.65 113.55 118.27 2ddi h SER 55 Ca 0.02 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.21 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2ddi h SER 55 CO -0.20 0.29 -0.05 0.00 -0.87 0.00 0.00 176.83 176.00 2ddi h GLU 57 N -0.57 0.31 -0.33 0.00 5.08 -0.69 0.21 114.58 118.59 2ddi h GLU 57 Ca -0.01 -0.16 -0.08 0.00 -1.00 0.00 0.00 59.36 58.10 2ddi h GLU 57 Cb 0.46 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.69 2ddi h GLU 57 CO 0.02 0.71 -0.14 0.22 -1.00 0.00 0.00 179.01 178.83 2ddi h ASP 58 N 0.25 0.56 0.04 1.42 3.58 -0.93 -3.25 116.42 118.09 2ddi h ASP 58 Ca 0.02 -0.16 -0.00 0.00 0.42 0.00 0.00 57.03 57.31 2ddi h ASP 58 Cb 0.90 -0.15 0.00 0.00 1.72 0.00 0.00 39.33 41.80 2ddi h ASP 58 CO 0.07 0.73 -0.02 0.00 -2.88 0.00 0.00 179.24 177.14 2ddi h ALA 59 N 1.33 -0.05 -3.41 -0.78 0.00 -0.18 -3.44 119.26 112.72 2ddi h ALA 59 Ca 0.09 -0.25 -0.58 0.00 0.00 0.00 0.00 54.91 54.17 2ddi h ALA 59 Cb 0.54 0.02 -0.38 0.00 0.00 0.00 0.00 17.79 17.97 2ddi h ALA 59 CO 0.03 -0.27 -0.79 0.00 0.00 0.00 0.00 179.25 178.23 2ddi n PRO 61 N 4.80 0.63 -0.53 0.00 -0.04 -1.26 -4.57 135.00 134.04 2ddi n PRO 61 Ca -0.12 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.34 2ddi n PRO 61 Cb 0.47 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.93 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 -1.67 0.52 0.31 -1.26 -4.94 118.33 110.57 2ddi n VAL 62 Ca 0.00 0.00 -0.58 0.00 -0.01 0.00 0.00 64.34 63.75 2ddi n VAL 62 Cb 0.00 -1.37 -0.07 0.00 -0.91 0.00 0.00 33.84 31.48 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 -1.15 0.17 -2.22 2.52 0.31 -1.26 -4.74 118.33 111.96 2ddi n VAL 63 Ca 0.00 -0.03 -0.43 0.00 -0.01 0.00 0.00 64.34 63.87 2ddi n VAL 63 Cb 0.00 -0.95 -0.02 0.00 -0.91 0.00 0.00 33.84 31.96 2ddi n VAL 63 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2ddi s ASP 64 N 2.51 6.38 -1.25 4.52 2.15 -1.26 -4.89 116.67 124.84 2ddi s ASP 64 Ca 0.95 1.31 -0.15 0.00 0.43 0.00 0.00 52.55 55.10 2ddi s ASP 64 Cb -1.11 -2.53 0.14 0.00 -0.30 0.00 0.00 42.92 39.11 2ddi s ASP 64 CO 0.63 -1.31 1.56 1.41 -0.17 0.00 0.00 175.17 177.29 2ddi n HIS 65 N 8.56 4.79 -0.75 -5.34 8.25 -1.26 -4.87 115.22 124.60 2ddi n HIS 65 Ca 0.18 -3.18 -0.04 0.00 -0.26 0.00 0.00 57.72 54.42 2ddi n HIS 65 Cb 0.46 -2.33 -0.05 0.00 1.12 0.00 0.00 29.99 29.20 2ddi n HIS 65 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddi n HIS 66 N 6.42 0.00 -2.49 4.41 -0.00 -1.26 -4.85 115.22 117.45 2ddi n HIS 66 Ca 0.41 0.00 -0.40 0.00 -0.00 0.00 0.00 57.72 57.73 2ddi n HIS 66 Cb 0.43 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.99 30.07 2ddi n HIS 66 CO 0.00 0.00 0.00 -3.38 -0.00 0.00 0.00 176.34 172.96 2ddi s HIS 67 N 0.00 2.28 -0.89 4.41 -3.43 -1.26 -4.94 115.29 111.46 2ddi s HIS 67 Ca 0.26 -0.17 -0.26 0.00 -0.80 0.00 0.00 55.06 54.09 2ddi s HIS 67 Cb -0.17 -4.58 -0.13 0.00 -1.43 0.00 0.00 32.58 26.27 2ddi s HIS 67 CO 0.11 -2.05 2.24 -3.38 -2.00 0.00 0.00 174.74 169.66 2ddi s HIS 68 N 5.96 1.33 -1.57 0.38 -3.43 -1.26 -4.42 115.29 112.28 2ddi s HIS 68 Ca 0.42 1.69 0.00 0.00 -0.80 0.00 0.00 55.06 56.37 2ddi s HIS 68 Cb -0.06 -3.57 0.00 0.00 -1.43 0.00 0.00 32.58 27.52 2ddi s HIS 68 CO 0.08 -1.42 0.00 1.58 -2.00 0.00 0.00 174.74 172.98 2ddi n HIS 69 N 17.69 0.00 0.64 0.38 -0.00 -1.26 -5.33 115.22 127.34 2ddi n HIS 69 Ca 0.44 0.00 0.05 0.00 -0.00 0.00 0.00 57.72 58.21 2ddi n HIS 69 Cb 0.45 0.00 0.30 0.00 -0.00 0.00 0.00 29.99 30.74 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92