#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 1.13 0.25 0.62 0.00 -1.26 -2.16 120.51 119.10 2ddi n ALA 2 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.54 2ddi n ALA 2 Cb 0.00 -0.86 0.67 0.00 0.00 0.00 0.00 19.45 19.26 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 0.00 -5.69 0.00 3.07 -2.06 -3.44 114.58 106.46 2ddi h GLU 3 Ca 0.00 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.25 2ddi h GLU 3 Cb 0.05 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 27.86 2ddi h GLU 3 CO 0.00 0.13 -0.51 0.00 -1.40 0.00 0.00 179.01 177.23 2ddi s ALA 4 N -4.41 3.67 0.45 3.43 0.00 -0.92 -5.05 121.76 118.94 2ddi s ALA 4 Ca -0.03 -1.71 0.13 0.00 0.00 0.00 0.00 51.96 50.35 2ddi s ALA 4 Cb 0.14 -0.18 1.06 0.00 0.00 0.00 0.00 23.12 24.15 2ddi s ALA 4 CO 0.62 -0.15 2.05 0.93 0.00 0.00 0.00 175.76 179.20 2ddi h GLU 5 N 1.43 0.32 -3.34 0.00 5.08 -1.85 -3.45 114.58 112.78 2ddi h GLU 5 Ca -0.43 -0.02 -0.03 0.00 -1.00 0.00 0.00 59.36 57.88 2ddi h GLU 5 Cb 1.27 -0.07 -0.05 0.00 0.50 0.00 0.00 28.75 30.39 2ddi h GLU 5 CO 0.73 0.21 0.08 0.12 -1.00 0.00 0.00 179.01 179.15 2ddi s PHE 6 N -5.32 0.20 -0.25 4.33 5.36 -1.26 -5.05 117.98 115.98 2ddi s PHE 6 Ca -0.07 -0.65 -0.02 0.00 -0.96 0.00 0.00 56.93 55.23 2ddi s PHE 6 Cb 0.18 0.48 0.13 0.00 -0.34 0.00 0.00 43.02 43.48 2ddi s PHE 6 CO 0.72 -1.23 0.33 0.99 -1.46 0.00 0.00 175.22 174.58 2ddi s THR 7 N -3.49 -0.51 0.81 0.12 2.01 -1.26 -4.79 115.64 108.54 2ddi s THR 7 Ca 0.18 -0.21 -0.11 0.00 0.31 0.00 0.00 61.69 61.85 2ddi s THR 7 Cb -0.03 -0.86 0.08 0.00 0.01 0.00 0.00 72.50 71.69 2ddi s THR 7 CO 0.10 -0.25 1.09 -0.62 -0.69 0.00 0.00 174.62 174.25 2ddi s ASP 8 N 2.46 4.23 0.26 3.53 2.15 -1.26 -4.85 116.67 123.19 2ddi s ASP 8 Ca 0.10 1.62 -0.02 0.00 0.43 0.00 0.00 52.55 54.68 2ddi s ASP 8 Cb -0.15 -2.34 0.54 0.00 -0.30 0.00 0.00 42.92 40.67 2ddi s ASP 8 CO -0.22 -2.18 1.69 0.00 -0.17 0.00 0.00 175.17 174.30 2ddi h ALA 9 N -1.23 1.10 0.00 3.66 0.00 -1.93 -0.65 119.26 120.22 2ddi h ALA 9 Ca -0.46 0.16 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 2ddi h ALA 9 Cb 1.25 0.19 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 2ddi h ALA 9 CO 0.54 -0.32 -0.05 0.00 0.00 0.00 0.00 179.25 179.42 2ddi h VAL 11 N 0.00 1.48 -2.81 0.00 2.07 -1.42 -3.38 116.25 112.18 2ddi h VAL 11 Ca -0.00 -2.82 -0.53 0.00 0.82 0.00 0.00 66.70 64.17 2ddi h VAL 11 Cb 0.11 2.70 0.04 0.00 -1.52 0.00 0.00 31.29 32.62 2ddi h VAL 11 CO 0.01 0.83 0.89 -0.22 0.02 0.00 0.00 177.57 179.09 2ddi s LEU 12 N -7.35 4.37 0.92 2.57 2.96 0.13 -4.82 118.68 117.47 2ddi s LEU 12 Ca -0.04 2.58 -0.13 0.00 -0.22 0.00 0.00 54.13 56.31 2ddi s LEU 12 Cb 0.08 -3.59 0.02 0.00 0.50 0.00 0.00 46.19 43.20 2ddi s LEU 12 CO 0.87 -0.82 0.36 -2.65 -1.32 0.00 0.00 176.35 172.78 2ddi n PRO 13 N 4.22 -0.20 -3.89 0.98 -0.02 -1.26 -4.72 135.00 130.11 2ddi n PRO 13 Ca 0.14 -0.02 -0.35 0.00 -2.02 0.00 0.00 63.50 61.25 2ddi n PRO 13 Cb 0.39 -1.81 -0.14 0.00 -0.02 0.00 0.00 33.50 31.93 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 -2.31 2.83 0.40 3.55 0.00 -1.26 -4.78 121.76 120.18 2ddi s ALA 14 Ca 0.57 -1.54 -0.24 0.00 0.00 0.00 0.00 51.96 50.75 2ddi s ALA 14 Cb -0.23 -1.88 -0.09 0.00 0.00 0.00 0.00 23.12 20.92 2ddi s ALA 14 CO 0.67 -0.96 1.06 0.08 0.00 0.00 0.00 175.76 176.61 2ddi s VAL 15 N 1.35 3.67 -0.14 0.00 1.01 -1.26 -4.96 120.40 120.08 2ddi s VAL 15 Ca -0.01 1.28 0.19 0.00 0.00 0.00 0.00 61.98 63.45 2ddi s VAL 15 Cb -0.18 -3.67 -0.16 0.00 0.00 0.00 0.00 36.38 32.38 2ddi s VAL 15 CO -0.02 0.01 0.71 0.00 0.00 0.00 0.00 175.10 175.80 2ddi n GLN 16 N -0.07 0.63 0.00 2.72 6.02 -1.26 -4.21 117.38 121.21 2ddi n GLN 16 Ca 0.05 0.09 0.00 0.00 -0.01 0.00 0.00 57.00 57.13 2ddi n GLN 16 Cb 0.49 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.03 2ddi n GLN 16 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2ddi n GLY 17 N 1.37 0.76 0.09 1.08 0.00 -1.23 -0.39 105.19 106.87 2ddi n GLY 17 Ca -0.09 -1.89 -0.04 0.00 0.00 0.00 0.00 46.02 43.99 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 0.00 -7.38 1.61 0.13 -1.92 -3.47 132.00 120.97 2ddi h PRO 18 Ca 0.00 0.00 -0.48 0.00 -0.87 0.00 0.00 66.00 64.65 2ddi h PRO 18 Cb 0.00 0.00 0.13 0.00 0.13 0.00 0.00 31.00 31.26 2ddi h PRO 18 CO 0.00 0.73 0.29 0.00 -0.23 0.00 0.00 178.00 178.80 2ddi n ARG 20 N -3.66 1.31 -2.40 0.00 5.12 -1.26 -4.78 116.66 110.98 2ddi n ARG 20 Ca 0.07 -1.42 -0.32 0.00 -1.93 0.00 0.00 57.85 54.24 2ddi n ARG 20 Cb 0.56 -1.21 -0.03 0.00 -1.16 0.00 0.00 32.46 30.62 2ddi n ARG 20 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2ddi s GLY 21 N -0.88 2.08 -0.04 -0.13 0.00 -1.26 -5.07 107.32 102.02 2ddi s GLY 21 Ca 0.15 0.20 0.01 0.00 0.00 0.00 0.00 44.72 45.07 2ddi s GLY 21 CO 0.13 0.47 -0.02 -0.98 0.00 0.00 0.00 173.10 172.70 2ddi s TRP 22 N -2.60 0.52 -0.17 1.90 0.23 -1.26 -4.26 118.94 113.30 2ddi s TRP 22 Ca 0.59 -0.10 -0.01 0.00 -2.03 0.00 0.00 56.10 54.55 2ddi s TRP 22 Cb -0.10 -0.53 0.05 0.00 0.03 0.00 0.00 33.47 32.92 2ddi s TRP 22 CO 0.31 -0.16 -0.02 -2.00 0.96 0.00 0.00 176.95 176.04 2ddi s GLU 23 N 0.96 1.13 0.12 4.98 2.56 0.39 -4.99 118.70 123.86 2ddi s GLU 23 Ca -0.11 -0.45 -0.31 0.00 0.00 0.00 0.00 54.97 54.10 2ddi s GLU 23 Cb -0.14 -1.96 -0.09 0.00 2.00 0.00 0.00 34.13 33.95 2ddi s GLU 23 CO -0.01 -0.49 1.48 -1.25 -0.56 0.00 0.00 175.26 174.44 2ddi s PRO 24 N 1.72 4.27 0.38 4.30 0.04 -1.26 -1.29 135.00 143.16 2ddi s PRO 24 Ca 0.00 2.20 0.04 0.00 0.04 0.00 0.00 61.00 63.28 2ddi s PRO 24 Cb -0.16 -3.26 -0.03 0.00 0.04 0.00 0.00 34.50 31.09 2ddi s PRO 24 CO -0.07 -0.54 0.12 1.03 0.04 0.00 0.00 177.00 177.58 2ddi s ARG 25 N 1.31 1.84 -0.01 4.56 1.81 -0.62 -4.92 118.95 122.93 2ddi s ARG 25 Ca 0.67 -2.10 0.04 0.00 -1.72 0.00 0.00 55.73 52.63 2ddi s ARG 25 Cb -0.40 -0.58 -0.01 0.00 -0.45 0.00 0.00 34.95 33.51 2ddi s ARG 25 CO 0.31 -0.43 -0.13 -1.58 -0.68 0.00 0.00 175.30 172.79 2ddi s TRP 26 N -3.28 1.20 0.02 -0.53 0.52 -0.06 -0.29 118.94 116.51 2ddi s TRP 26 Ca 0.27 -0.24 0.01 0.00 0.02 0.00 0.00 56.10 56.16 2ddi s TRP 26 Cb 0.04 -0.78 -0.01 0.00 -1.15 0.00 0.00 33.47 31.56 2ddi s TRP 26 CO 0.15 -0.04 -0.04 0.00 0.02 0.00 0.00 176.95 177.04 2ddi s ALA 27 N -0.22 0.30 0.19 0.98 0.00 -0.44 -0.54 121.76 122.02 2ddi s ALA 27 Ca 0.03 -0.42 -0.28 0.00 0.00 0.00 0.00 51.96 51.30 2ddi s ALA 27 Cb -0.06 0.02 -0.08 0.00 0.00 0.00 0.00 23.12 23.00 2ddi s ALA 27 CO -0.00 -0.02 0.88 -0.47 0.00 0.00 0.00 175.76 176.14 2ddi s TYR 28 N -0.78 3.93 -0.25 0.00 5.04 -1.26 -1.19 117.35 122.83 2ddi s TYR 28 Ca -0.06 1.78 0.00 0.00 -2.44 0.00 0.00 57.07 56.35 2ddi s TYR 28 Cb -0.06 -2.91 0.04 0.00 0.35 0.00 0.00 41.96 39.39 2ddi s TYR 28 CO -0.00 0.44 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.44 2ddi s SER 29 N -0.97 4.24 0.29 4.32 0.01 -0.13 -4.72 113.70 116.75 2ddi s SER 29 Ca 0.40 -1.06 0.03 0.00 1.31 0.00 0.00 55.95 56.63 2ddi s SER 29 Cb -0.24 -1.60 0.46 0.00 0.21 0.00 0.00 66.02 64.84 2ddi s SER 29 CO 0.29 -0.15 1.75 1.55 0.41 0.00 0.00 173.24 177.10 2ddi h PRO 30 N 7.92 0.46 0.00 12.44 0.13 -1.82 0.37 132.00 151.50 2ddi h PRO 30 Ca -0.29 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2ddi h PRO 30 Cb 1.08 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.18 2ddi h PRO 30 CO 0.54 0.66 -0.02 -0.07 -0.23 0.00 0.00 178.00 178.88 2ddi h LEU 31 N 0.41 0.00 -0.82 1.56 3.38 -1.95 -0.67 115.31 117.23 2ddi h LEU 31 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2ddi h LEU 31 Cb 0.62 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.37 2ddi h LEU 31 CO 0.04 0.02 -0.46 0.18 0.09 0.00 0.00 178.44 178.32 2ddi n LEU 32 N -3.16 1.69 -2.44 1.67 4.77 -0.88 -4.98 117.00 113.67 2ddi n LEU 32 Ca -0.01 -0.73 -0.09 0.00 -0.03 0.00 0.00 56.01 55.14 2ddi n LEU 32 Cb 0.21 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.29 2ddi n LEU 32 CO 0.25 0.33 -0.12 1.67 -1.33 0.00 0.00 177.39 178.18 2ddi n GLN 33 N -0.24 -2.39 -3.73 3.23 7.27 0.03 -4.88 117.38 116.67 2ddi n GLN 33 Ca 0.07 0.46 -0.05 0.00 0.07 0.00 0.00 57.00 57.55 2ddi n GLN 33 Cb 0.38 -5.03 -0.02 0.00 2.41 0.00 0.00 30.24 27.99 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 -5.00 1.24 0.19 3.69 0.74 -0.67 -3.29 119.66 116.56 2ddi s GLN 34 Ca 0.00 -0.66 -0.11 0.00 0.05 0.00 0.00 55.36 54.64 2ddi s GLN 34 Cb 0.00 0.44 -0.07 0.00 1.10 0.00 0.00 33.01 34.48 2ddi s GLN 34 CO 0.00 -0.56 0.54 0.00 -0.55 0.00 0.00 175.29 174.72 2ddi s HIS 36 N -1.65 1.69 0.92 0.00 -3.43 -0.33 -4.95 115.29 107.54 2ddi s HIS 36 Ca 0.43 -0.51 -0.12 0.00 -0.80 0.00 0.00 55.06 54.05 2ddi s HIS 36 Cb -0.13 -0.84 0.14 0.00 -1.43 0.00 0.00 32.58 30.32 2ddi s HIS 36 CO 0.20 0.29 1.11 -1.25 -2.00 0.00 0.00 174.74 173.09 2ddi s PRO 37 N -2.94 1.05 0.22 -0.38 0.04 -1.26 -1.32 135.00 130.40 2ddi s PRO 37 Ca 0.15 0.46 -0.21 0.00 0.04 0.00 0.00 61.00 61.44 2ddi s PRO 37 Cb -0.04 -1.81 0.04 0.00 0.04 0.00 0.00 34.50 32.72 2ddi s PRO 37 CO 0.06 -2.30 0.65 -0.59 0.04 0.00 0.00 177.00 174.86 2ddi s PHE 38 N -3.13 -0.32 -0.36 0.56 -0.71 0.61 -4.79 117.98 109.83 2ddi s PHE 38 Ca 0.64 -0.02 -0.18 0.00 -1.04 0.00 0.00 56.93 56.33 2ddi s PHE 38 Cb -0.16 0.61 0.00 0.00 -1.21 0.00 0.00 43.02 42.26 2ddi s PHE 38 CO 0.55 -1.05 0.48 0.08 -1.34 0.00 0.00 175.22 173.95 2ddi s VAL 39 N -3.85 5.04 0.01 -2.49 1.01 -1.26 -1.58 120.40 117.29 2ddi s VAL 39 Ca 0.07 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.23 2ddi s VAL 39 Cb -0.03 -3.97 -0.04 0.00 0.00 0.00 0.00 36.38 32.34 2ddi s VAL 39 CO -0.02 -0.25 0.03 -0.47 0.00 0.00 0.00 175.10 174.39 2ddi s TYR 40 N 2.32 3.15 -2.27 5.22 5.04 -0.41 -4.47 117.35 125.92 2ddi s TYR 40 Ca 0.17 0.11 0.22 0.00 -2.44 0.00 0.00 57.07 55.13 2ddi s TYR 40 Cb -0.16 -1.68 0.90 0.00 0.35 0.00 0.00 41.96 41.38 2ddi s TYR 40 CO 0.13 0.50 1.63 0.41 -1.34 0.00 0.00 175.55 176.89 2ddi n GLY 41 N 1.16 0.01 4.91 8.97 0.00 0.47 -0.46 105.19 120.25 2ddi n GLY 41 Ca -0.13 -0.37 0.00 0.00 0.00 0.00 0.00 46.02 45.51 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 1.09 1.38 1.07 -0.02 0.00 -1.26 -4.49 105.19 102.96 2ddi n GLY 42 Ca 0.17 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.10 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 -2.32 0.00 -3.88 0.00 4.71 -1.26 -4.85 120.64 113.03 2ddi n GLU 44 Ca 0.05 0.00 -0.00 0.00 -0.01 0.00 0.00 57.16 57.19 2ddi n GLU 44 Cb 0.17 -0.87 0.01 0.00 -1.01 0.00 0.00 31.44 29.75 2ddi n GLU 44 CO 0.00 0.00 0.00 0.20 0.09 0.00 0.00 177.13 177.42 2ddi s GLY 45 N -0.22 -0.06 0.67 0.62 0.00 -1.26 -3.51 107.32 103.56 2ddi s GLY 45 Ca 0.53 -0.05 0.02 0.00 0.00 0.00 0.00 44.72 45.22 2ddi s GLY 45 CO 0.37 3.23 0.93 -1.31 0.00 0.00 0.00 173.10 176.32 2ddi s ASN 46 N -3.48 4.60 0.21 1.64 0.01 -1.26 -4.95 114.94 111.71 2ddi s ASN 46 Ca 0.23 -0.43 0.25 0.00 -0.71 0.00 0.00 52.86 52.21 2ddi s ASN 46 Cb -0.01 -0.05 0.89 0.00 0.41 0.00 0.00 41.25 42.50 2ddi s ASN 46 CO 0.02 -1.67 1.75 0.61 -1.51 0.00 0.00 177.10 176.30 2ddi n GLY 47 N -2.66 -1.51 3.02 0.66 0.00 -1.26 -4.16 105.19 99.28 2ddi n GLY 47 Ca 0.14 0.01 -0.42 0.00 0.00 0.00 0.00 46.02 45.76 2ddi n GLY 47 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2ddi n ASN 48 N -2.17 3.54 -3.73 1.61 2.85 -1.26 -4.82 115.26 111.27 2ddi n ASN 48 Ca 0.04 -2.79 -0.26 0.00 -0.11 0.00 0.00 54.58 51.46 2ddi n ASN 48 Cb 0.34 -1.51 -0.17 0.00 1.24 0.00 0.00 39.78 39.68 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 4.13 2.47 0.11 1.20 3.84 -1.26 -4.51 114.94 120.92 2ddi s ASN 49 Ca 0.53 -0.58 0.09 0.00 0.21 0.00 0.00 52.86 53.11 2ddi s ASN 49 Cb 0.12 -0.52 -0.04 0.00 -0.55 0.00 0.00 41.25 40.26 2ddi s ASN 49 CO 0.01 -0.28 -0.23 -0.36 -2.79 0.00 0.00 177.10 173.45 2ddi s PHE 50 N 1.92 2.01 -1.25 0.43 0.40 0.30 -4.94 117.98 116.84 2ddi s PHE 50 Ca 0.01 -0.40 0.24 0.00 -0.60 0.00 0.00 56.93 56.18 2ddi s PHE 50 Cb -0.16 -1.10 0.32 0.00 0.51 0.00 0.00 43.02 42.60 2ddi s PHE 50 CO -0.07 0.25 1.28 0.72 0.70 0.00 0.00 175.22 178.11 2ddi n HIS 51 N 1.06 0.00 -3.58 0.36 8.25 -1.26 -0.88 115.22 119.16 2ddi n HIS 51 Ca -0.19 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.16 2ddi n HIS 51 Cb 0.53 -0.14 -0.04 0.00 1.12 0.00 0.00 29.99 31.46 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 -2.85 -0.34 0.09 0.41 1.04 -1.26 -4.88 113.70 105.91 2ddi s SER 52 Ca 0.14 -0.16 -0.32 0.00 0.48 0.00 0.00 55.95 56.08 2ddi s SER 52 Cb 0.18 0.50 -0.15 0.00 0.10 0.00 0.00 66.02 66.64 2ddi s SER 52 CO 0.69 -0.85 1.61 -0.09 0.98 0.00 0.00 173.24 175.59 2ddi h ARG 53 N 2.39 -0.79 -0.20 4.02 9.65 -1.97 -2.73 114.38 124.75 2ddi h ARG 53 Ca -0.33 0.05 -0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2ddi h ARG 53 Cb 1.26 0.18 -0.01 0.00 -1.39 0.00 0.00 29.97 30.01 2ddi h ARG 53 CO 0.44 -0.53 0.08 1.49 2.80 0.00 0.00 179.97 184.25 2ddi h GLU 54 N -0.82 0.30 -0.83 0.20 4.57 -1.98 -0.58 114.58 115.44 2ddi h GLU 54 Ca -0.05 -0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.24 2ddi h GLU 54 Cb 0.70 -0.05 -0.06 0.00 -0.16 0.00 0.00 28.75 29.18 2ddi h GLU 54 CO 0.00 0.36 0.55 0.66 -1.18 0.00 0.00 179.01 179.40 2ddi h SER 55 N 0.17 0.47 -0.00 1.04 4.64 -1.99 0.25 113.55 118.14 2ddi h SER 55 Ca 0.07 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 61.38 2ddi h SER 55 Cb 0.17 -0.06 0.00 0.00 -0.31 0.00 0.00 62.40 62.20 2ddi h SER 55 CO -0.01 0.23 -0.16 0.00 -0.87 0.00 0.00 176.83 176.02 2ddi h GLU 57 N -0.60 0.53 0.00 0.00 5.08 -0.60 -0.04 114.58 118.94 2ddi h GLU 57 Ca -0.02 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.16 2ddi h GLU 57 Cb 0.93 -0.11 -0.02 0.00 0.50 0.00 0.00 28.75 30.05 2ddi h GLU 57 CO 0.03 0.38 -0.63 0.22 -1.00 0.00 0.00 179.01 178.00 2ddi h ASP 58 N 0.54 0.00 0.42 1.42 3.58 -0.50 -2.50 116.42 119.38 2ddi h ASP 58 Ca 0.14 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.57 2ddi h ASP 58 Cb -0.01 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.05 2ddi h ASP 58 CO -0.03 0.63 -0.20 0.00 -2.88 0.00 0.00 179.24 176.77 2ddi h ALA 59 N 1.37 -0.74 -3.75 -0.78 0.00 -0.38 -3.42 119.26 111.55 2ddi h ALA 59 Ca -0.01 -0.12 -0.65 0.00 0.00 0.00 0.00 54.91 54.13 2ddi h ALA 59 Cb 1.39 0.22 -0.38 0.00 0.00 0.00 0.00 17.79 19.01 2ddi h ALA 59 CO 0.08 -0.70 -0.77 0.00 0.00 0.00 0.00 179.25 177.86 2ddi n PRO 61 N 4.43 0.59 0.00 0.00 -0.04 -0.94 -4.12 135.00 134.92 2ddi n PRO 61 Ca -0.08 -0.55 0.00 0.00 -0.04 0.00 0.00 63.50 62.84 2ddi n PRO 61 Cb 0.42 -0.11 0.00 0.00 -0.04 0.00 0.00 33.50 33.77 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 -1.56 0.00 -1.67 0.52 0.31 -1.21 -4.57 118.33 110.15 2ddi n VAL 62 Ca 0.03 0.00 -0.56 0.00 -0.01 0.00 0.00 64.34 63.80 2ddi n VAL 62 Cb 0.11 -0.37 -0.07 0.00 -0.91 0.00 0.00 33.84 32.61 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 0.20 -0.98 2.52 0.31 -1.26 -4.60 118.33 114.51 2ddi n VAL 63 Ca 0.00 -0.04 -0.43 0.00 -0.01 0.00 0.00 64.34 63.86 2ddi n VAL 63 Cb 0.00 -1.07 -0.08 0.00 -0.91 0.00 0.00 33.84 31.79 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 4.37 0.63 -0.15 4.52 2.03 -1.26 -4.88 116.55 121.81 2ddi n ASP 64 Ca 0.24 0.60 0.12 0.00 0.52 0.00 0.00 54.79 56.26 2ddi n ASP 64 Cb 0.15 -0.61 0.46 0.00 -0.72 0.00 0.00 41.12 40.39 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 5.14 0.56 0.00 -0.67 3.86 -1.87 -3.25 115.15 118.91 2ddi h HIS 65 Ca -0.16 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.07 2ddi h HIS 65 Cb 0.96 -0.18 0.00 0.00 1.06 0.00 0.00 27.41 29.25 2ddi h HIS 65 CO 0.59 0.25 0.00 0.72 0.86 0.00 0.00 177.93 180.35 2ddi n HIS 66 N -4.48 0.00 -2.61 2.45 8.25 -1.26 -4.65 115.22 112.91 2ddi n HIS 66 Ca 0.12 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.15 2ddi n HIS 66 Cb 0.40 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.50 2ddi n HIS 66 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddi s HIS 67 N 0.18 2.81 -0.72 4.41 -3.43 -1.26 -4.92 115.29 112.37 2ddi s HIS 67 Ca 0.00 -1.60 -0.24 0.00 -0.80 0.00 0.00 55.06 52.42 2ddi s HIS 67 Cb 0.00 -4.72 -0.16 0.00 -1.43 0.00 0.00 32.58 26.27 2ddi s HIS 67 CO 0.00 -1.79 1.98 0.72 -2.00 0.00 0.00 174.74 173.65 2ddi n HIS 68 N 8.23 0.46 -1.81 0.38 -0.00 -1.23 -4.85 115.22 116.40 2ddi n HIS 68 Ca 0.47 0.31 -0.36 0.00 -0.00 0.00 0.00 57.72 58.14 2ddi n HIS 68 Cb 0.46 -1.77 0.06 0.00 -0.00 0.00 0.00 29.99 28.73 2ddi n HIS 68 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ddi s HIS 69 N 6.54 2.22 0.00 4.41 5.04 -1.26 -4.99 115.29 127.24 2ddi s HIS 69 Ca 1.01 1.52 0.00 0.00 -1.54 0.00 0.00 55.06 56.04 2ddi s HIS 69 Cb -0.96 -3.56 0.00 0.00 0.04 0.00 0.00 32.58 28.10 2ddi s HIS 69 CO 0.38 -2.55 0.15 1.58 -2.34 0.00 0.00 174.74 171.96