#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 -3.92 0.20 0.62 0.00 -1.26 -4.94 120.51 111.21 2ddi n ALA 2 Ca 0.00 -1.66 0.09 0.00 0.00 0.00 0.00 53.44 51.87 2ddi n ALA 2 Cb 0.00 -1.47 0.33 0.00 0.00 0.00 0.00 19.45 18.31 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 -3.30 0.00 -6.33 0.00 4.39 -1.96 -3.39 114.58 103.98 2ddi h GLU 3 Ca -0.40 0.00 -0.58 0.00 0.34 0.00 0.00 59.36 58.73 2ddi h GLU 3 Cb 1.21 0.00 -0.09 0.00 -0.10 0.00 0.00 28.75 29.77 2ddi h GLU 3 CO 0.26 0.26 0.79 0.00 -1.16 0.00 0.00 179.01 179.15 2ddi s ALA 4 N -3.44 3.11 -0.01 3.43 0.00 -1.26 -4.82 121.76 118.77 2ddi s ALA 4 Ca 0.02 -0.87 0.02 0.00 0.00 0.00 0.00 51.96 51.12 2ddi s ALA 4 Cb 0.09 -3.86 -0.02 0.00 0.00 0.00 0.00 23.12 19.32 2ddi s ALA 4 CO 0.66 -2.42 0.03 0.39 0.00 0.00 0.00 175.76 174.42 2ddi n GLU 5 N 7.86 1.48 -2.28 0.00 1.02 -1.26 -4.95 120.64 122.52 2ddi n GLU 5 Ca 0.07 -0.01 -0.41 0.00 -0.02 0.00 0.00 57.16 56.79 2ddi n GLU 5 Cb 0.48 -1.04 -0.03 0.00 -0.02 0.00 0.00 31.44 30.83 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 -2.09 3.32 -0.90 -0.32 5.36 -1.26 -4.92 117.98 117.16 2ddi s PHE 6 Ca -0.01 1.32 -0.25 0.00 -0.96 0.00 0.00 56.93 57.04 2ddi s PHE 6 Cb 0.01 -3.53 0.03 0.00 -0.34 0.00 0.00 43.02 39.18 2ddi s PHE 6 CO 0.07 -1.59 1.47 0.99 -1.46 0.00 0.00 175.22 174.70 2ddi s THR 7 N -0.06 3.78 0.74 0.12 2.01 -1.26 -4.92 115.64 116.05 2ddi s THR 7 Ca 0.54 -0.32 -0.09 0.00 0.31 0.00 0.00 61.69 62.13 2ddi s THR 7 Cb -0.35 -4.85 0.06 0.00 0.01 0.00 0.00 72.50 67.37 2ddi s THR 7 CO 0.39 -1.76 1.08 -0.62 -0.69 0.00 0.00 174.62 173.01 2ddi s ASP 8 N 5.10 4.79 0.44 3.53 2.15 -1.26 -4.94 116.67 126.48 2ddi s ASP 8 Ca 0.46 0.65 0.21 0.00 0.43 0.00 0.00 52.55 54.31 2ddi s ASP 8 Cb -0.04 -1.28 1.18 0.00 -0.30 0.00 0.00 42.92 42.48 2ddi s ASP 8 CO -0.00 -1.66 1.85 0.00 -0.17 0.00 0.00 175.17 175.18 2ddi h ALA 9 N -0.76 2.35 0.00 3.66 0.00 -1.93 -1.40 119.26 121.19 2ddi h ALA 9 Ca -0.45 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.46 2ddi h ALA 9 Cb 1.31 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.10 2ddi h ALA 9 CO 0.63 -0.65 -0.05 0.00 0.00 0.00 0.00 179.25 179.17 2ddi h VAL 11 N 0.00 0.97 -3.29 0.00 2.07 -1.54 -3.39 116.25 111.07 2ddi h VAL 11 Ca -0.00 -2.30 -0.54 0.00 0.82 0.00 0.00 66.70 64.68 2ddi h VAL 11 Cb 0.12 2.43 -0.01 0.00 -1.52 0.00 0.00 31.29 32.31 2ddi h VAL 11 CO 0.01 0.54 0.48 -0.22 0.02 0.00 0.00 177.57 178.40 2ddi s LEU 12 N -6.55 4.37 0.71 2.57 2.96 -0.02 -4.70 118.68 118.02 2ddi s LEU 12 Ca 0.03 1.88 -0.16 0.00 -0.22 0.00 0.00 54.13 55.66 2ddi s LEU 12 Cb 0.08 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2ddi s LEU 12 CO 0.75 -0.38 0.64 -2.65 -1.32 0.00 0.00 176.35 173.39 2ddi n PRO 13 N 3.87 0.37 -2.66 0.98 -0.02 -1.26 -4.73 135.00 131.55 2ddi n PRO 13 Ca 0.08 0.17 -0.24 0.00 -2.02 0.00 0.00 63.50 61.48 2ddi n PRO 13 Cb 0.48 -1.92 0.03 0.00 -0.02 0.00 0.00 33.50 32.07 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 -1.88 3.56 0.02 3.55 0.00 -1.26 -4.83 121.76 120.92 2ddi s ALA 14 Ca 0.68 -0.94 0.01 0.00 0.00 0.00 0.00 51.96 51.70 2ddi s ALA 14 Cb -0.35 -2.34 -0.02 0.00 0.00 0.00 0.00 23.12 20.40 2ddi s ALA 14 CO 0.56 -0.65 -0.04 0.08 0.00 0.00 0.00 175.76 175.70 2ddi s VAL 15 N -2.80 0.24 -0.08 0.00 1.01 -1.26 -4.99 120.40 112.52 2ddi s VAL 15 Ca 0.52 -0.84 -0.14 0.00 0.00 0.00 0.00 61.98 61.53 2ddi s VAL 15 Cb -0.10 -0.34 -0.10 0.00 0.00 0.00 0.00 36.38 35.83 2ddi s VAL 15 CO 0.41 -0.39 0.49 1.56 0.00 0.00 0.00 175.10 177.17 2ddi h GLN 16 N 4.81 -0.16 0.00 2.72 4.20 -1.88 -3.42 115.11 121.38 2ddi h GLN 16 Ca -0.32 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.40 2ddi h GLN 16 Cb 1.21 0.04 0.00 0.00 0.30 0.00 0.00 27.48 29.02 2ddi h GLN 16 CO 0.42 0.16 0.00 0.41 -0.67 0.00 0.00 178.83 179.15 2ddi n GLY 17 N 1.16 1.40 0.00 3.46 0.00 -1.24 -0.79 105.19 109.19 2ddi n GLY 17 Ca -0.05 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.91 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 -0.14 0.25 -1.39 1.61 -0.04 -1.26 -4.87 135.00 129.17 2ddi n PRO 18 Ca 0.00 0.09 -0.30 0.00 -0.04 0.00 0.00 63.50 63.26 2ddi n PRO 18 Cb 0.00 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.16 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 -4.27 0.21 -3.52 0.00 3.00 -1.26 -4.98 116.66 105.83 2ddi n ARG 20 Ca 0.12 -0.53 -0.29 0.00 -0.01 0.00 0.00 57.85 57.14 2ddi n ARG 20 Cb 0.59 -0.76 -0.03 0.00 0.00 0.00 0.00 32.46 32.25 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 -0.19 1.90 -0.27 -0.13 0.00 -1.26 -5.09 107.32 102.29 2ddi s GLY 21 Ca 0.00 -0.65 0.01 0.00 0.00 0.00 0.00 44.72 44.07 2ddi s GLY 21 CO 0.00 -0.57 0.00 -0.98 0.00 0.00 0.00 173.10 171.55 2ddi s TRP 22 N -1.93 2.39 -0.35 1.90 0.23 -1.26 -4.29 118.94 115.63 2ddi s TRP 22 Ca 0.42 -1.91 -0.12 0.00 -2.03 0.00 0.00 56.10 52.46 2ddi s TRP 22 Cb -0.11 -1.80 -0.00 0.00 0.03 0.00 0.00 33.47 31.58 2ddi s TRP 22 CO 0.28 -0.82 0.22 -2.00 0.96 0.00 0.00 176.95 175.59 2ddi s GLU 23 N 1.39 3.26 0.04 4.98 2.56 0.31 -4.93 118.70 126.31 2ddi s GLU 23 Ca 0.01 -0.79 -0.31 0.00 0.00 0.00 0.00 54.97 53.88 2ddi s GLU 23 Cb -0.18 -3.74 -0.07 0.00 2.00 0.00 0.00 34.13 32.14 2ddi s GLU 23 CO -0.11 -0.52 1.44 -1.25 -0.56 0.00 0.00 175.26 174.26 2ddi s PRO 24 N 1.65 4.28 0.41 4.30 0.04 -1.26 -0.68 135.00 143.74 2ddi s PRO 24 Ca 0.05 2.05 0.05 0.00 0.04 0.00 0.00 61.00 63.19 2ddi s PRO 24 Cb -0.18 -3.49 -0.02 0.00 0.04 0.00 0.00 34.50 30.86 2ddi s PRO 24 CO 0.08 -0.56 0.18 0.54 0.04 0.00 0.00 177.00 177.28 2ddi n ARG 25 N 5.00 0.54 -4.93 4.56 5.12 -0.54 -4.93 116.66 121.48 2ddi n ARG 25 Ca 0.13 -3.54 -0.30 0.00 -1.93 0.00 0.00 57.85 52.21 2ddi n ARG 25 Cb 0.43 2.10 -0.15 0.00 -1.16 0.00 0.00 32.46 33.68 2ddi n ARG 25 CO 0.00 0.00 0.00 -1.58 -1.93 0.00 0.00 177.63 174.12 2ddi s TRP 26 N -3.18 2.35 0.01 -1.55 0.52 -0.51 -0.24 118.94 116.34 2ddi s TRP 26 Ca 0.25 -0.40 0.01 0.00 0.02 0.00 0.00 56.10 55.98 2ddi s TRP 26 Cb 0.01 -1.41 -0.01 0.00 -1.15 0.00 0.00 33.47 30.91 2ddi s TRP 26 CO 0.18 0.12 -0.03 0.00 0.02 0.00 0.00 176.95 177.24 2ddi s ALA 27 N -0.79 0.20 0.19 0.98 0.00 -0.29 -0.16 121.76 121.89 2ddi s ALA 27 Ca 0.12 -0.37 -0.29 0.00 0.00 0.00 0.00 51.96 51.42 2ddi s ALA 27 Cb -0.10 0.05 -0.08 0.00 0.00 0.00 0.00 23.12 22.98 2ddi s ALA 27 CO 0.02 -0.05 0.91 -0.47 0.00 0.00 0.00 175.76 176.18 2ddi s TYR 28 N -0.76 3.93 -0.25 0.00 5.04 -1.26 -1.17 117.35 122.88 2ddi s TYR 28 Ca -0.07 1.83 0.00 0.00 -2.44 0.00 0.00 57.07 56.39 2ddi s TYR 28 Cb -0.05 -2.96 0.04 0.00 0.35 0.00 0.00 41.96 39.34 2ddi s TYR 28 CO -0.00 0.40 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.40 2ddi s SER 29 N -0.86 4.25 0.28 4.32 0.01 0.35 -4.75 113.70 117.29 2ddi s SER 29 Ca 0.41 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.67 2ddi s SER 29 Cb -0.25 -1.61 0.40 0.00 0.21 0.00 0.00 66.02 64.78 2ddi s SER 29 CO 0.30 -0.14 1.69 1.55 0.41 0.00 0.00 173.24 177.05 2ddi h PRO 30 N 7.93 0.36 0.00 12.44 0.13 -1.82 0.18 132.00 151.21 2ddi h PRO 30 Ca -0.29 -0.16 -0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2ddi h PRO 30 Cb 1.09 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.55 0.68 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.92 2ddi h LEU 31 N 0.31 0.00 -0.72 1.56 3.38 -1.94 -0.83 115.31 117.07 2ddi h LEU 31 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 2ddi h LEU 31 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 2ddi h LEU 31 CO 0.06 0.01 -0.31 0.18 0.09 0.00 0.00 178.44 178.47 2ddi n LEU 32 N -3.15 1.33 -3.91 1.67 4.77 -0.90 -5.00 117.00 111.81 2ddi n LEU 32 Ca -0.02 -0.73 -0.31 0.00 -0.03 0.00 0.00 56.01 54.92 2ddi n LEU 32 Cb 0.15 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.21 2ddi n LEU 32 CO 0.23 0.26 -0.05 1.67 -1.33 0.00 0.00 177.39 178.17 2ddi n GLN 33 N -0.32 -2.74 -3.75 3.23 7.27 0.54 -4.90 117.38 116.72 2ddi n GLN 33 Ca 0.05 0.32 -0.06 0.00 0.07 0.00 0.00 57.00 57.38 2ddi n GLN 33 Cb 0.27 -5.00 -0.02 0.00 2.41 0.00 0.00 30.24 27.90 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 -6.58 1.46 0.11 3.69 0.74 -0.69 -4.97 119.66 113.41 2ddi s GLN 34 Ca 0.61 -0.77 -0.02 0.00 0.05 0.00 0.00 55.36 55.24 2ddi s GLN 34 Cb -0.34 0.52 -0.05 0.00 1.10 0.00 0.00 33.01 34.25 2ddi s GLN 34 CO 0.75 -0.66 0.30 0.00 -0.55 0.00 0.00 175.29 175.12 2ddi s HIS 36 N -1.61 0.34 0.89 0.00 -3.43 -0.31 -4.95 115.29 106.21 2ddi s HIS 36 Ca 0.38 -0.72 -0.11 0.00 -0.80 0.00 0.00 55.06 53.81 2ddi s HIS 36 Cb -0.12 -0.25 0.13 0.00 -1.43 0.00 0.00 32.58 30.90 2ddi s HIS 36 CO 0.27 -0.29 1.10 -2.14 -2.00 0.00 0.00 174.74 171.67 2ddi s PRO 37 N -2.59 1.28 0.19 -0.38 0.02 -1.26 -1.14 135.00 131.13 2ddi s PRO 37 Ca -0.05 1.11 -0.21 0.00 0.02 0.00 0.00 61.00 61.86 2ddi s PRO 37 Cb -0.02 -1.79 0.05 0.00 0.02 0.00 0.00 34.50 32.76 2ddi s PRO 37 CO -0.05 -2.31 0.61 -0.59 -0.33 0.00 0.00 177.00 174.33 2ddi s PHE 38 N -2.81 -0.37 -0.11 6.54 -0.71 0.67 -4.77 117.98 116.42 2ddi s PHE 38 Ca 0.64 0.07 -0.24 0.00 -1.04 0.00 0.00 56.93 56.36 2ddi s PHE 38 Cb -0.20 0.55 -0.03 0.00 -1.21 0.00 0.00 43.02 42.14 2ddi s PHE 38 CO 0.58 -0.95 0.74 0.08 -1.34 0.00 0.00 175.22 174.33 2ddi s VAL 39 N -3.81 4.98 0.40 -2.49 1.01 -1.26 -1.47 120.40 117.75 2ddi s VAL 39 Ca 0.05 1.49 0.08 0.00 0.00 0.00 0.00 61.98 63.60 2ddi s VAL 39 Cb -0.02 -4.07 -0.07 0.00 0.00 0.00 0.00 36.38 32.22 2ddi s VAL 39 CO -0.06 0.16 0.01 -0.47 0.00 0.00 0.00 175.10 174.73 2ddi s TYR 40 N 1.38 2.51 -0.16 5.22 5.04 0.15 -4.37 117.35 127.11 2ddi s TYR 40 Ca 0.37 -0.62 0.01 0.00 -2.44 0.00 0.00 57.07 54.39 2ddi s TYR 40 Cb -0.17 -1.72 0.01 0.00 0.35 0.00 0.00 41.96 40.44 2ddi s TYR 40 CO 0.16 0.45 0.61 0.41 -1.34 0.00 0.00 175.55 175.83 2ddi n GLY 41 N -0.97 -0.77 2.90 8.97 0.00 0.03 -0.53 105.19 114.83 2ddi n GLY 41 Ca -0.05 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 0.01 2.37 1.05 -0.02 0.00 -1.26 -4.53 105.19 102.81 2ddi n GLY 42 Ca 0.01 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 0.00 -3.06 0.00 4.71 -1.26 -4.79 120.64 115.81 2ddi n GLU 44 Ca -0.05 0.00 -0.03 0.00 -0.01 0.00 0.00 57.16 57.07 2ddi n GLU 44 Cb 0.18 -0.90 0.02 0.00 -1.01 0.00 0.00 31.44 29.73 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 1.14 0.92 3.99 0.62 0.00 -1.26 -3.58 105.19 107.02 2ddi n GLY 45 Ca 0.13 -1.10 -0.22 0.00 0.00 0.00 0.00 46.02 44.83 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 -2.62 4.79 0.08 1.61 0.01 -1.26 -5.00 114.94 112.55 2ddi s ASN 46 Ca 0.15 -0.30 0.26 0.00 -0.71 0.00 0.00 52.86 52.26 2ddi s ASN 46 Cb -0.02 -0.29 1.01 0.00 0.41 0.00 0.00 41.25 42.35 2ddi s ASN 46 CO 0.05 -1.53 1.80 0.61 -1.51 0.00 0.00 177.10 176.53 2ddi n GLY 47 N -2.57 -1.47 3.13 0.66 0.00 -1.26 -4.23 105.19 99.44 2ddi n GLY 47 Ca 0.12 -0.06 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.78 4.00 -3.54 1.61 2.85 -1.26 -4.79 115.26 112.35 2ddi n ASN 48 Ca 0.06 -2.84 -0.17 0.00 -0.11 0.00 0.00 54.58 51.52 2ddi n ASN 48 Cb 0.33 -1.63 -0.13 0.00 1.24 0.00 0.00 39.78 39.59 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 4.03 1.06 0.28 1.20 3.84 -1.26 -4.64 114.94 119.45 2ddi s ASN 49 Ca 0.52 0.02 0.11 0.00 0.21 0.00 0.00 52.86 53.72 2ddi s ASN 49 Cb 0.10 0.46 -0.05 0.00 -0.55 0.00 0.00 41.25 41.20 2ddi s ASN 49 CO 0.01 -0.30 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.49 2ddi s PHE 50 N 2.35 2.22 -0.58 0.43 0.08 0.77 -4.94 117.98 118.31 2ddi s PHE 50 Ca 0.06 -0.41 0.23 0.00 0.12 0.00 0.00 56.93 56.93 2ddi s PHE 50 Cb -0.15 -1.03 0.08 0.00 -0.57 0.00 0.00 43.02 41.35 2ddi s PHE 50 CO -0.11 0.63 1.05 0.72 -0.10 0.00 0.00 175.22 177.41 2ddi n HIS 51 N -0.62 0.33 -3.77 0.36 8.25 -1.26 -1.42 115.22 117.10 2ddi n HIS 51 Ca -0.05 0.10 -0.04 0.00 -0.26 0.00 0.00 57.72 57.47 2ddi n HIS 51 Cb 0.61 -0.49 -0.01 0.00 1.12 0.00 0.00 29.99 31.21 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 -4.05 -0.15 0.11 0.41 1.04 -1.26 -4.86 113.70 104.93 2ddi s SER 52 Ca 0.03 -0.46 -0.19 0.00 0.48 0.00 0.00 55.95 55.82 2ddi s SER 52 Cb 0.14 0.50 -0.07 0.00 0.10 0.00 0.00 66.02 66.69 2ddi s SER 52 CO 0.79 -0.94 1.68 -0.09 0.98 0.00 0.00 173.24 175.67 2ddi h ARG 53 N 2.00 0.33 -0.00 4.02 9.65 -1.97 -2.94 114.38 125.47 2ddi h ARG 53 Ca -0.24 -0.05 0.01 0.00 -1.10 0.00 0.00 59.98 58.59 2ddi h ARG 53 Cb 1.23 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.73 2ddi h ARG 53 CO 0.27 0.34 -0.17 1.49 2.80 0.00 0.00 179.97 184.70 2ddi h GLU 54 N 0.25 -0.20 -0.67 0.20 4.81 -1.98 -1.39 114.58 115.60 2ddi h GLU 54 Ca 0.08 0.01 0.14 0.00 -0.13 0.00 0.00 59.36 59.46 2ddi h GLU 54 Cb 0.11 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.50 2ddi h GLU 54 CO -0.01 -0.13 0.45 0.66 -0.73 0.00 0.00 179.01 179.25 2ddi h SER 55 N -0.21 0.30 0.03 1.04 4.64 -1.95 0.22 113.55 117.62 2ddi h SER 55 Ca 0.00 0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ddi h SER 55 Cb 0.22 -0.05 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ddi h SER 55 CO -0.11 0.16 -0.01 0.00 -0.87 0.00 0.00 176.83 176.00 2ddi h GLU 57 N -0.64 0.33 -0.88 0.00 5.08 -0.70 -1.57 114.58 116.19 2ddi h GLU 57 Ca -0.00 -0.12 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 2ddi h GLU 57 Cb 0.59 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.78 2ddi h GLU 57 CO 0.01 0.59 0.56 0.22 -1.00 0.00 0.00 179.01 179.39 2ddi h ASP 58 N 0.29 1.03 -0.26 1.42 3.58 -0.59 -0.01 116.42 121.88 2ddi h ASP 58 Ca 0.04 -0.04 -0.10 0.00 0.42 0.00 0.00 57.03 57.35 2ddi h ASP 58 Cb 0.66 -0.26 -0.00 0.00 1.72 0.00 0.00 39.33 41.45 2ddi h ASP 58 CO 0.05 0.76 -0.22 0.00 -2.88 0.00 0.00 179.24 176.95 2ddi h ALA 59 N 1.42 0.38 -2.79 -0.78 0.00 -0.64 -3.38 119.26 113.47 2ddi h ALA 59 Ca 0.32 -0.37 -0.61 0.00 0.00 0.00 0.00 54.91 54.25 2ddi h ALA 59 Cb -0.10 -0.08 -0.40 0.00 0.00 0.00 0.00 17.79 17.20 2ddi h ALA 59 CO -0.07 0.33 -0.74 0.00 0.00 0.00 0.00 179.25 178.78 2ddi s PRO 61 N -0.80 3.15 -0.07 0.00 0.04 -0.03 -4.63 135.00 132.66 2ddi s PRO 61 Ca 0.28 0.61 -0.08 0.00 0.04 0.00 0.00 61.00 61.84 2ddi s PRO 61 Cb -0.02 -2.04 -0.04 0.00 0.04 0.00 0.00 34.50 32.44 2ddi s PRO 61 CO -0.17 -0.86 0.22 0.08 0.04 0.00 0.00 177.00 176.30 2ddi s VAL 62 N -3.26 5.38 0.26 -0.36 1.01 -1.26 -4.96 120.40 117.20 2ddi s VAL 62 Ca 0.57 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.94 2ddi s VAL 62 Cb -0.11 -3.49 -0.06 0.00 0.00 0.00 0.00 36.38 32.72 2ddi s VAL 62 CO 0.53 0.57 -0.05 -0.69 0.00 0.00 0.00 175.10 175.46 2ddi s VAL 63 N -1.08 1.48 0.35 2.92 1.01 -1.26 -5.11 120.40 118.71 2ddi s VAL 63 Ca 0.19 -2.10 -0.28 0.00 0.00 0.00 0.00 61.98 59.78 2ddi s VAL 63 Cb -0.13 -2.40 -0.11 0.00 0.00 0.00 0.00 36.38 33.74 2ddi s VAL 63 CO 0.08 -0.33 1.47 -0.67 0.00 0.00 0.00 175.10 175.65 2ddi n ASP 64 N -0.53 3.59 -3.72 3.32 2.03 -1.26 -4.80 116.55 115.19 2ddi n ASP 64 Ca -0.06 1.21 -0.42 0.00 0.52 0.00 0.00 54.79 56.04 2ddi n ASP 64 Cb 0.63 -1.59 -0.04 0.00 -0.72 0.00 0.00 41.12 39.40 2ddi n ASP 64 CO 0.00 0.00 0.00 1.41 -1.92 0.00 0.00 177.20 176.69 2ddi n HIS 65 N 0.74 2.31 -1.62 -0.67 8.25 -1.26 -4.80 115.22 118.17 2ddi n HIS 65 Ca 0.03 -2.04 -0.40 0.00 -0.26 0.00 0.00 57.72 55.06 2ddi n HIS 65 Cb 0.38 -1.95 -0.04 0.00 1.12 0.00 0.00 29.99 29.50 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 7.63 2.67 -1.53 4.41 8.25 -1.26 -4.89 115.22 130.50 2ddi n HIS 66 Ca 0.50 -2.05 -0.25 0.00 -0.26 0.00 0.00 57.72 55.66 2ddi n HIS 66 Cb 0.41 -2.17 -0.12 0.00 1.12 0.00 0.00 29.99 29.23 2ddi n HIS 66 CO 0.00 0.00 0.00 -2.39 0.64 0.00 0.00 176.34 174.59 2ddi n HIS 67 N 8.91 0.82 0.10 4.41 1.44 -1.26 -4.76 115.22 124.88 2ddi n HIS 67 Ca 0.49 0.08 -0.04 0.00 -2.01 0.00 0.00 57.72 56.24 2ddi n HIS 67 Cb 0.42 -2.03 0.11 0.00 0.12 0.00 0.00 29.99 28.61 2ddi n HIS 67 CO 0.00 0.00 0.00 1.12 -2.81 0.00 0.00 176.34 174.65 2ddi h HIS 68 N 13.69 0.18 -4.20 -1.40 2.07 -1.95 -3.44 115.15 120.10 2ddi h HIS 68 Ca -0.05 -0.08 -0.46 0.00 -2.85 0.00 0.00 60.37 56.93 2ddi h HIS 68 Cb 1.15 -0.03 0.13 0.00 2.57 0.00 0.00 27.41 31.23 2ddi h HIS 68 CO 1.16 0.76 0.29 -3.38 -3.07 0.00 0.00 177.93 173.69 2ddi s HIS 69 N -3.57 2.51 -0.79 6.12 -3.43 -1.26 -5.14 115.29 109.73 2ddi s HIS 69 Ca -0.03 0.93 0.00 0.00 -0.80 0.00 0.00 55.06 55.16 2ddi s HIS 69 Cb 0.12 -3.32 0.00 0.00 -1.43 0.00 0.00 32.58 27.95 2ddi s HIS 69 CO 0.79 -2.34 0.20 1.58 -2.00 0.00 0.00 174.74 172.97