#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ddi s ALA 2 N 0.00 -1.17 0.52 0.62 0.00 -1.25 -5.01 121.76 115.48 2ddi s ALA 2 Ca 0.00 -0.25 0.32 0.00 0.00 0.00 0.00 51.96 52.03 2ddi s ALA 2 Cb 0.00 0.87 1.79 0.00 0.00 0.00 0.00 23.12 25.79 2ddi s ALA 2 CO 0.00 -0.98 2.21 0.93 0.00 0.00 0.00 175.76 177.92 2ddi h GLU 3 N 2.03 0.00 0.00 0.00 5.08 -1.93 0.17 114.58 119.94 2ddi h GLU 3 Ca -0.22 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 2ddi h GLU 3 Cb 1.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.51 2ddi h GLU 3 CO 0.27 0.04 0.00 0.00 -1.00 0.00 0.00 179.01 178.32 2ddi n ALA 4 N -2.25 2.53 -0.88 3.43 0.00 -1.26 -4.40 120.51 117.67 2ddi n ALA 4 Ca -0.02 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2ddi n ALA 4 Cb 0.14 -1.48 0.00 0.00 0.00 0.00 0.00 19.45 18.11 2ddi n ALA 4 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddi n GLU 5 N -1.13 0.00 -3.63 0.00 1.02 -0.09 -5.12 120.64 111.69 2ddi n GLU 5 Ca 0.18 0.00 -0.11 0.00 -0.02 0.00 0.00 57.16 57.21 2ddi n GLU 5 Cb 0.16 -0.01 -0.07 0.00 -0.02 0.00 0.00 31.44 31.50 2ddi n GLU 5 CO 0.00 0.00 0.00 0.12 1.18 0.00 0.00 177.13 178.43 2ddi s PHE 6 N -0.12 -0.68 -0.27 -0.32 5.36 -0.41 -5.00 117.98 116.54 2ddi s PHE 6 Ca 0.00 1.63 -0.05 0.00 -0.96 0.00 0.00 56.93 57.55 2ddi s PHE 6 Cb 0.00 0.33 0.15 0.00 -0.34 0.00 0.00 43.02 43.15 2ddi s PHE 6 CO 0.00 -0.33 0.54 0.99 -1.46 0.00 0.00 175.22 174.96 2ddi s THR 7 N 0.43 -0.87 0.77 0.12 2.01 -1.25 -3.84 115.64 113.02 2ddi s THR 7 Ca 0.00 0.02 -0.11 0.00 0.31 0.00 0.00 61.69 61.91 2ddi s THR 7 Cb -0.05 -0.91 0.06 0.00 0.01 0.00 0.00 72.50 71.61 2ddi s THR 7 CO -0.03 -0.01 1.10 -0.62 -0.69 0.00 0.00 174.62 174.37 2ddi s ASP 8 N 2.77 4.39 0.25 3.53 2.15 -1.26 -4.82 116.67 123.68 2ddi s ASP 8 Ca 0.08 1.89 -0.04 0.00 0.43 0.00 0.00 52.55 54.91 2ddi s ASP 8 Cb -0.14 -2.53 0.49 0.00 -0.30 0.00 0.00 42.92 40.45 2ddi s ASP 8 CO -0.18 -2.11 1.67 0.00 -0.17 0.00 0.00 175.17 174.37 2ddi h ALA 9 N -1.07 0.96 0.00 3.66 0.00 -1.92 -0.67 119.26 120.22 2ddi h ALA 9 Ca -0.44 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 2ddi h ALA 9 Cb 1.24 0.29 -0.00 0.00 0.00 0.00 0.00 17.79 19.32 2ddi h ALA 9 CO 0.50 -0.38 -0.05 0.00 0.00 0.00 0.00 179.25 179.32 2ddi h VAL 11 N 0.00 1.23 -2.96 0.00 2.07 -1.43 -3.38 116.25 111.79 2ddi h VAL 11 Ca -0.00 -3.00 -0.53 0.00 0.82 0.00 0.00 66.70 63.99 2ddi h VAL 11 Cb 0.17 2.64 0.04 0.00 -1.52 0.00 0.00 31.29 32.61 2ddi h VAL 11 CO 0.01 0.73 0.81 -0.22 0.02 0.00 0.00 177.57 178.92 2ddi s LEU 12 N -6.47 4.37 0.71 2.57 2.96 0.14 -4.85 118.68 118.11 2ddi s LEU 12 Ca -0.03 2.53 -0.16 0.00 -0.22 0.00 0.00 54.13 56.24 2ddi s LEU 12 Cb 0.09 -3.60 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2ddi s LEU 12 CO 0.83 -0.75 0.43 -2.65 -1.32 0.00 0.00 176.35 172.89 2ddi n PRO 13 N 3.74 0.27 -2.98 0.98 -0.02 -1.26 -4.76 135.00 130.96 2ddi n PRO 13 Ca 0.12 0.13 -0.37 0.00 -2.02 0.00 0.00 63.50 61.36 2ddi n PRO 13 Cb 0.40 -1.73 -0.06 0.00 -0.02 0.00 0.00 33.50 32.09 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 -1.92 3.36 0.06 3.55 0.00 -1.26 -4.81 121.76 120.74 2ddi s ALA 14 Ca 0.64 0.30 0.06 0.00 0.00 0.00 0.00 51.96 52.96 2ddi s ALA 14 Cb -0.36 -2.95 -0.03 0.00 0.00 0.00 0.00 23.12 19.79 2ddi s ALA 14 CO 0.59 0.28 -0.16 0.08 0.00 0.00 0.00 175.76 176.55 2ddi s VAL 15 N -1.49 1.27 -0.11 0.00 1.01 -1.26 -5.05 120.40 114.77 2ddi s VAL 15 Ca 0.44 -1.22 -0.20 0.00 0.00 0.00 0.00 61.98 61.00 2ddi s VAL 15 Cb -0.18 -1.16 -0.17 0.00 0.00 0.00 0.00 36.38 34.86 2ddi s VAL 15 CO 0.23 -0.07 0.62 1.56 0.00 0.00 0.00 175.10 177.44 2ddi h GLN 16 N 4.55 -0.04 0.00 2.72 4.20 -1.91 -3.41 115.11 121.22 2ddi h GLN 16 Ca -0.41 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.30 2ddi h GLN 16 Cb 1.18 0.01 0.00 0.00 0.30 0.00 0.00 27.48 28.97 2ddi h GLN 16 CO 0.42 0.56 0.00 0.41 -0.67 0.00 0.00 178.83 179.55 2ddi n GLY 17 N 1.38 1.48 0.17 3.46 0.00 -1.25 -0.41 105.19 110.02 2ddi n GLY 17 Ca -0.07 -2.26 -0.10 0.00 0.00 0.00 0.00 46.02 43.59 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 0.42 -7.33 1.61 0.13 -1.91 -3.47 132.00 121.45 2ddi h PRO 18 Ca 0.00 -0.35 -0.51 0.00 -0.87 0.00 0.00 66.00 64.27 2ddi h PRO 18 Cb 0.00 0.08 0.12 0.00 0.13 0.00 0.00 31.00 31.33 2ddi h PRO 18 CO 0.00 0.99 0.33 0.00 -0.23 0.00 0.00 178.00 179.09 2ddi n ARG 20 N -3.42 1.40 -1.59 0.00 3.00 -1.26 -4.73 116.66 110.06 2ddi n ARG 20 Ca 0.08 -1.48 -0.32 0.00 -0.01 0.00 0.00 57.85 56.12 2ddi n ARG 20 Cb 0.54 -1.23 0.06 0.00 0.00 0.00 0.00 32.46 31.83 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 -0.94 1.94 -0.08 -0.13 0.00 -1.26 -5.04 107.32 101.81 2ddi s GLY 21 Ca 0.16 0.39 0.01 0.00 0.00 0.00 0.00 44.72 45.28 2ddi s GLY 21 CO 0.14 0.73 -0.09 -0.98 0.00 0.00 0.00 173.10 172.91 2ddi s TRP 22 N -2.61 1.31 -0.17 1.90 0.23 -1.26 -4.21 118.94 114.13 2ddi s TRP 22 Ca 0.64 -0.54 -0.01 0.00 -2.03 0.00 0.00 56.10 54.15 2ddi s TRP 22 Cb -0.18 -1.05 0.05 0.00 0.03 0.00 0.00 33.47 32.31 2ddi s TRP 22 CO 0.47 -0.36 -0.02 -2.00 0.96 0.00 0.00 176.95 176.01 2ddi s GLU 23 N 1.17 1.10 0.21 4.98 2.56 0.07 -4.99 118.70 123.80 2ddi s GLU 23 Ca -0.06 -0.44 -0.30 0.00 0.00 0.00 0.00 54.97 54.17 2ddi s GLU 23 Cb -0.14 -1.94 -0.09 0.00 2.00 0.00 0.00 34.13 33.96 2ddi s GLU 23 CO -0.02 -0.49 1.42 -1.25 -0.56 0.00 0.00 175.26 174.37 2ddi s PRO 24 N 1.73 4.29 0.37 4.30 0.04 -1.26 -0.96 135.00 143.52 2ddi s PRO 24 Ca 0.00 2.23 0.04 0.00 0.04 0.00 0.00 61.00 63.31 2ddi s PRO 24 Cb -0.16 -3.15 -0.03 0.00 0.04 0.00 0.00 34.50 31.20 2ddi s PRO 24 CO -0.07 -0.41 0.16 1.03 0.04 0.00 0.00 177.00 177.75 2ddi s ARG 25 N 0.07 1.82 0.02 4.56 1.81 -0.30 -4.88 118.95 122.05 2ddi s ARG 25 Ca 0.61 -2.08 0.06 0.00 -1.72 0.00 0.00 55.73 52.60 2ddi s ARG 25 Cb -0.40 -0.33 -0.02 0.00 -0.45 0.00 0.00 34.95 33.75 2ddi s ARG 25 CO 0.39 -0.50 -0.19 -1.58 -0.68 0.00 0.00 175.30 172.74 2ddi s TRP 26 N -3.34 1.64 0.01 -0.53 0.52 0.43 -0.33 118.94 117.34 2ddi s TRP 26 Ca 0.30 -0.35 0.01 0.00 0.02 0.00 0.00 56.10 56.08 2ddi s TRP 26 Cb 0.03 -1.00 -0.01 0.00 -1.15 0.00 0.00 33.47 31.34 2ddi s TRP 26 CO 0.18 0.04 -0.04 0.00 0.02 0.00 0.00 176.95 177.15 2ddi s ALA 27 N -0.69 0.30 0.16 0.98 0.00 -0.32 -0.81 121.76 121.39 2ddi s ALA 27 Ca 0.06 -0.36 -0.29 0.00 0.00 0.00 0.00 51.96 51.38 2ddi s ALA 27 Cb -0.08 -0.00 -0.07 0.00 0.00 0.00 0.00 23.12 22.97 2ddi s ALA 27 CO 0.01 0.00 0.90 -0.47 0.00 0.00 0.00 175.76 176.20 2ddi s TYR 28 N -0.62 3.89 -0.25 0.00 6.14 -1.26 -1.12 117.35 124.13 2ddi s TYR 28 Ca -0.04 1.78 0.00 0.00 0.64 0.00 0.00 57.07 59.45 2ddi s TYR 28 Cb -0.05 -2.95 0.04 0.00 0.42 0.00 0.00 41.96 39.42 2ddi s TYR 28 CO -0.00 0.36 -0.09 -1.12 0.64 0.00 0.00 175.55 175.34 2ddi s SER 29 N -0.66 4.24 0.27 4.32 0.01 0.63 -4.69 113.70 117.82 2ddi s SER 29 Ca 0.42 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.66 2ddi s SER 29 Cb -0.24 -1.60 0.38 0.00 0.21 0.00 0.00 66.02 64.77 2ddi s SER 29 CO 0.29 -0.14 1.67 1.55 0.41 0.00 0.00 173.24 177.02 2ddi h PRO 30 N 7.92 0.36 0.00 12.44 0.13 -1.81 0.53 132.00 151.57 2ddi h PRO 30 Ca -0.29 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ddi h PRO 30 Cb 1.09 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.70 0.00 1.28 -0.23 0.00 0.00 178.00 180.29 2ddi n LEU 31 N -4.04 0.57 -0.18 1.56 4.77 -1.26 -1.00 117.00 117.42 2ddi n LEU 31 Ca -0.01 0.70 0.04 0.00 -0.03 0.00 0.00 56.01 56.70 2ddi n LEU 31 Cb 0.48 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.88 2ddi n LEU 31 CO 0.43 -0.74 0.21 0.18 -1.33 0.00 0.00 177.39 176.14 2ddi n LEU 32 N -2.19 1.09 -3.73 2.23 4.77 -0.89 -5.00 117.00 113.27 2ddi n LEU 32 Ca 0.00 -0.78 -0.28 0.00 -0.03 0.00 0.00 56.01 54.92 2ddi n LEU 32 Cb 0.12 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.19 2ddi n LEU 32 CO 0.14 0.22 -0.06 1.67 -1.33 0.00 0.00 177.39 178.03 2ddi n GLN 33 N -0.25 -2.60 -3.81 3.23 7.27 0.10 -4.87 117.38 116.46 2ddi n GLN 33 Ca 0.03 0.30 -0.05 0.00 0.07 0.00 0.00 57.00 57.35 2ddi n GLN 33 Cb 0.16 -4.95 -0.01 0.00 2.41 0.00 0.00 30.24 27.85 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 -6.38 1.55 -0.04 3.69 2.00 -0.75 -4.99 119.66 114.74 2ddi s GLN 34 Ca 0.53 -0.90 -0.01 0.00 -2.00 0.00 0.00 55.36 52.98 2ddi s GLN 34 Cb -0.29 0.50 -0.04 0.00 0.80 0.00 0.00 33.01 33.98 2ddi s GLN 34 CO 0.65 -0.71 0.06 0.00 -0.50 0.00 0.00 175.29 174.78 2ddi s HIS 36 N -1.07 1.94 0.96 0.00 -3.43 -0.27 -4.93 115.29 108.49 2ddi s HIS 36 Ca 0.19 -0.43 -0.12 0.00 -0.80 0.00 0.00 55.06 53.89 2ddi s HIS 36 Cb -0.12 -0.99 0.17 0.00 -1.43 0.00 0.00 32.58 30.21 2ddi s HIS 36 CO 0.09 0.34 1.10 -1.25 -2.00 0.00 0.00 174.74 173.02 2ddi s PRO 37 N -2.56 0.71 0.14 -0.38 0.04 -1.26 -1.18 135.00 130.52 2ddi s PRO 37 Ca 0.15 0.54 -0.24 0.00 0.04 0.00 0.00 61.00 61.48 2ddi s PRO 37 Cb -0.07 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.77 2ddi s PRO 37 CO 0.07 -2.54 0.77 -0.59 0.04 0.00 0.00 177.00 174.74 2ddi s PHE 38 N -3.01 -0.34 -0.37 0.56 -0.71 0.55 -4.78 117.98 109.87 2ddi s PHE 38 Ca 0.65 0.08 -0.18 0.00 -1.04 0.00 0.00 56.93 56.44 2ddi s PHE 38 Cb -0.18 0.60 0.00 0.00 -1.21 0.00 0.00 43.02 42.24 2ddi s PHE 38 CO 0.57 -0.85 0.49 0.08 -1.34 0.00 0.00 175.22 174.17 2ddi s VAL 39 N -3.53 5.03 0.30 -2.49 1.01 -1.26 -1.14 120.40 118.32 2ddi s VAL 39 Ca 0.06 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.23 2ddi s VAL 39 Cb -0.02 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 32.36 2ddi s VAL 39 CO -0.05 -0.28 0.43 -0.47 0.00 0.00 0.00 175.10 174.74 2ddi s TYR 40 N 2.33 3.25 -2.27 5.22 5.04 -0.13 -4.60 117.35 126.18 2ddi s TYR 40 Ca 0.17 -0.13 0.21 0.00 -2.44 0.00 0.00 57.07 54.87 2ddi s TYR 40 Cb -0.16 -1.84 0.36 0.00 0.35 0.00 0.00 41.96 40.67 2ddi s TYR 40 CO 0.14 0.15 1.32 0.41 -1.34 0.00 0.00 175.55 176.23 2ddi n GLY 41 N -1.56 1.55 4.02 8.97 0.00 0.45 -0.76 105.19 117.86 2ddi n GLY 41 Ca -0.03 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.32 1.44 1.14 -0.02 0.00 -1.26 -4.35 105.19 103.46 2ddi n GLY 42 Ca 0.17 0.00 -0.07 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.65 0.00 -1.11 0.00 4.71 -1.26 -4.84 120.64 116.50 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 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 1.15 1.46 3.99 0.62 0.00 -1.26 -3.87 105.19 107.28 2ddi n GLY 45 Ca 0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.31 4.81 0.26 1.61 0.01 -1.26 -5.01 114.94 115.05 2ddi s ASN 46 Ca 0.00 -0.28 0.26 0.00 -0.71 0.00 0.00 52.86 52.13 2ddi s ASN 46 Cb 0.00 -0.33 0.78 0.00 0.41 0.00 0.00 41.25 42.11 2ddi s ASN 46 CO 0.00 -1.51 1.75 1.23 -1.51 0.00 0.00 177.10 177.06 2ddi h GLY 47 N -0.20 0.00 -6.12 0.66 0.00 -1.92 -3.36 103.07 92.12 2ddi h GLY 47 Ca -0.38 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.25 2ddi h GLY 47 CO 0.45 0.00 2.98 -2.01 0.00 0.00 0.00 176.54 177.96 2ddi n ASN 48 N -2.41 3.67 -3.67 0.19 2.85 -1.26 -4.82 115.26 109.81 2ddi n ASN 48 Ca 0.05 -2.81 -0.25 0.00 -0.11 0.00 0.00 54.58 51.45 2ddi n ASN 48 Cb 0.42 -1.57 -0.17 0.00 1.24 0.00 0.00 39.78 39.69 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 3.53 2.16 0.10 1.20 3.84 -1.26 -4.51 114.94 120.00 2ddi s ASN 49 Ca 0.49 -0.47 0.07 0.00 0.21 0.00 0.00 52.86 53.16 2ddi s ASN 49 Cb 0.14 -0.33 -0.03 0.00 -0.55 0.00 0.00 41.25 40.47 2ddi s ASN 49 CO -0.05 -0.30 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.43 2ddi s PHE 50 N 2.06 1.48 -1.34 0.43 0.08 0.01 -4.94 117.98 115.76 2ddi s PHE 50 Ca 0.02 -0.48 0.24 0.00 0.12 0.00 0.00 56.93 56.84 2ddi s PHE 50 Cb -0.15 -0.80 0.38 0.00 -0.57 0.00 0.00 43.02 41.88 2ddi s PHE 50 CO -0.07 0.15 1.32 0.72 -0.10 0.00 0.00 175.22 177.24 2ddi n HIS 51 N 0.90 0.00 -3.57 0.36 8.25 -1.26 -0.43 115.22 119.47 2ddi n HIS 51 Ca -0.18 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.17 2ddi n HIS 51 Cb 0.55 -0.14 -0.03 0.00 1.12 0.00 0.00 29.99 31.50 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 -2.79 -0.43 0.04 0.41 1.04 -1.26 -4.83 113.70 105.87 2ddi s SER 52 Ca 0.15 -0.22 -0.24 0.00 0.48 0.00 0.00 55.95 56.13 2ddi s SER 52 Cb 0.18 0.61 -0.16 0.00 0.10 0.00 0.00 66.02 66.74 2ddi s SER 52 CO 0.67 -1.04 1.50 -0.09 0.98 0.00 0.00 173.24 175.25 2ddi h ARG 53 N 2.07 0.06 -0.22 4.02 2.43 -1.95 -3.15 114.38 117.64 2ddi h ARG 53 Ca -0.30 -0.02 0.01 0.00 -0.81 0.00 0.00 59.98 58.86 2ddi h ARG 53 Cb 1.29 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.81 2ddi h ARG 53 CO 0.36 0.31 0.10 1.49 -1.51 0.00 0.00 179.97 180.72 2ddi h GLU 54 N -0.19 0.22 -0.99 0.20 4.81 -1.98 -0.25 114.58 116.40 2ddi h GLU 54 Ca 0.01 -0.01 0.20 0.00 -0.13 0.00 0.00 59.36 59.43 2ddi h GLU 54 Cb 0.27 -0.05 -0.10 0.00 0.63 0.00 0.00 28.75 29.50 2ddi h GLU 54 CO 0.00 0.14 0.62 0.66 -0.73 0.00 0.00 179.01 179.70 2ddi h SER 55 N 0.23 0.70 -0.02 1.04 4.64 -1.98 0.41 113.55 118.56 2ddi h SER 55 Ca 0.09 0.09 -0.04 0.00 -0.47 0.00 0.00 61.79 61.46 2ddi h SER 55 Cb 0.03 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 2ddi h SER 55 CO -0.06 0.24 -0.13 0.00 -0.87 0.00 0.00 176.83 176.00 2ddi h GLU 57 N -0.51 0.45 -0.02 0.00 5.08 -0.62 -1.61 114.58 117.35 2ddi h GLU 57 Ca -0.01 -0.03 -0.16 0.00 -1.00 0.00 0.00 59.36 58.16 2ddi h GLU 57 Cb 0.82 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.96 2ddi h GLU 57 CO 0.03 0.30 -0.73 0.22 -1.00 0.00 0.00 179.01 177.82 2ddi h ASP 58 N 0.46 0.16 0.57 1.42 3.58 0.06 -2.72 116.42 119.94 2ddi h ASP 58 Ca 0.15 -0.11 -0.03 0.00 0.42 0.00 0.00 57.03 57.47 2ddi h ASP 58 Cb 0.05 -0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.06 2ddi h ASP 58 CO -0.04 0.84 -0.27 0.00 -2.88 0.00 0.00 179.24 176.89 2ddi h ALA 59 N 1.16 -0.76 -2.92 -0.78 0.00 -0.53 -3.40 119.26 112.03 2ddi h ALA 59 Ca -0.02 -0.18 -0.71 0.00 0.00 0.00 0.00 54.91 54.00 2ddi h ALA 59 Cb 1.29 0.29 -0.32 0.00 0.00 0.00 0.00 17.79 19.06 2ddi h ALA 59 CO 0.11 -0.73 -0.45 0.00 0.00 0.00 0.00 179.25 178.18 2ddi s PRO 61 N 1.09 0.47 0.00 0.00 0.04 -1.03 -4.41 135.00 131.16 2ddi s PRO 61 Ca 0.08 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.89 2ddi s PRO 61 Cb -0.24 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.49 2ddi s PRO 61 CO -0.03 -2.55 0.00 0.28 0.04 0.00 0.00 177.00 174.74 2ddi n VAL 62 N -3.91 0.00 -1.60 -0.36 0.31 -1.26 -5.07 118.33 106.45 2ddi n VAL 62 Ca 0.13 0.00 -0.50 0.00 -0.01 0.00 0.00 64.34 63.96 2ddi n VAL 62 Cb 0.60 0.00 -0.05 0.00 -0.91 0.00 0.00 33.84 33.48 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 0.00 0.36 -1.68 2.52 0.31 -1.26 -4.78 118.33 113.81 2ddi n VAL 63 Ca 0.00 -0.09 -0.47 0.00 -0.01 0.00 0.00 64.34 63.77 2ddi n VAL 63 Cb 0.00 -0.91 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 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 2.39 3.61 0.03 4.52 2.03 -1.26 -4.92 116.55 122.96 2ddi n ASP 64 Ca 0.17 0.96 -0.10 0.00 0.52 0.00 0.00 54.79 56.34 2ddi n ASP 64 Cb 0.22 -1.41 -0.06 0.00 -0.72 0.00 0.00 41.12 39.15 2ddi n ASP 64 CO 0.00 0.00 0.00 0.45 -1.92 0.00 0.00 177.20 175.73 2ddi h HIS 65 N 9.35 -0.95 0.00 -0.67 3.86 -1.94 -3.44 115.15 121.35 2ddi h HIS 65 Ca -0.49 0.03 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2ddi h HIS 65 Cb 1.26 0.42 0.00 0.00 1.06 0.00 0.00 27.41 30.15 2ddi h HIS 65 CO 0.88 -0.35 0.00 0.72 0.86 0.00 0.00 177.93 180.05 2ddi n HIS 66 N -4.28 0.00 -1.08 2.45 8.25 -1.26 -5.08 115.22 114.22 2ddi n HIS 66 Ca -0.04 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.01 2ddi n HIS 66 Cb 0.24 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.29 2ddi n HIS 66 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70 2ddi n HIS 67 N 0.00 1.76 -3.88 4.41 8.25 -1.26 -4.83 115.22 119.66 2ddi n HIS 67 Ca 0.00 -1.78 -0.11 0.00 -0.26 0.00 0.00 57.72 55.57 2ddi n HIS 67 Cb 0.00 -1.67 -0.10 0.00 1.12 0.00 0.00 29.99 29.34 2ddi n HIS 67 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2ddi s HIS 68 N 4.88 0.08 0.00 4.41 3.76 -1.26 -5.01 115.29 122.15 2ddi s HIS 68 Ca 0.55 -0.23 0.00 0.00 -0.15 0.00 0.00 55.06 55.23 2ddi s HIS 68 Cb 0.14 -0.07 0.00 0.00 1.11 0.00 0.00 32.58 33.76 2ddi s HIS 68 CO 0.11 -0.31 0.07 0.72 -0.85 0.00 0.00 174.74 174.47 2ddi n HIS 69 N 1.24 0.00 -1.10 1.40 8.25 -1.26 -5.26 115.22 118.49 2ddi n HIS 69 Ca -0.22 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.24 2ddi n HIS 69 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 2ddi n HIS 69 CO 0.00 0.00 0.00 0.72 0.64 0.00 0.00 176.34 177.70