#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 3.71 0.00 0.62 0.00 -1.26 -4.88 121.76 119.95 2ddi s ALA 2 Ca 0.00 1.27 0.00 0.00 0.00 0.00 0.00 51.96 53.23 2ddi s ALA 2 Cb 0.00 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.53 2ddi s ALA 2 CO 0.00 -0.73 0.00 0.39 0.00 0.00 0.00 175.76 175.42 2ddi n GLU 3 N 4.03 3.33 -2.69 0.00 1.02 -1.26 -4.99 120.64 120.08 2ddi n GLU 3 Ca 0.13 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 57.17 2ddi n GLU 3 Cb 0.40 -0.58 -0.01 0.00 -0.02 0.00 0.00 31.44 31.23 2ddi n GLU 3 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2ddi n ALA 4 N -0.42 0.20 0.27 0.62 0.00 -1.26 -1.82 120.51 118.09 2ddi n ALA 4 Ca 0.00 -0.78 0.15 0.00 0.00 0.00 0.00 53.44 52.81 2ddi n ALA 4 Cb 0.03 0.39 0.88 0.00 0.00 0.00 0.00 19.45 20.74 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 0.00 0.00 -5.64 0.00 3.07 -2.01 -3.38 114.58 106.62 2ddi h GLU 5 Ca -0.14 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.43 2ddi h GLU 5 Cb 0.44 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.33 2ddi h GLU 5 CO 0.22 0.00 0.86 0.12 -1.40 0.00 0.00 179.01 178.81 2ddi s PHE 6 N -4.67 1.41 -0.89 4.33 5.36 -1.26 -4.87 117.98 117.39 2ddi s PHE 6 Ca -0.05 1.28 -0.24 0.00 -0.96 0.00 0.00 56.93 56.97 2ddi s PHE 6 Cb 0.15 -3.77 0.06 0.00 -0.34 0.00 0.00 43.02 39.12 2ddi s PHE 6 CO 0.56 -1.99 1.31 0.99 -1.46 0.00 0.00 175.22 174.62 2ddi s THR 7 N 11.77 4.01 0.79 0.12 2.01 -1.26 -4.74 115.64 128.33 2ddi s THR 7 Ca 0.82 -0.47 -0.12 0.00 0.31 0.00 0.00 61.69 62.23 2ddi s THR 7 Cb -0.12 -4.94 0.07 0.00 0.01 0.00 0.00 72.50 67.52 2ddi s THR 7 CO 0.12 -1.81 1.14 -0.62 -0.69 0.00 0.00 174.62 172.77 2ddi s ASP 8 N 4.29 4.03 0.48 3.53 2.15 -1.26 -4.91 116.67 124.99 2ddi s ASP 8 Ca 0.38 2.11 0.25 0.00 0.43 0.00 0.00 52.55 55.72 2ddi s ASP 8 Cb -0.05 -2.56 1.29 0.00 -0.30 0.00 0.00 42.92 41.31 2ddi s ASP 8 CO -0.00 -2.36 1.86 0.00 -0.17 0.00 0.00 175.17 174.50 2ddi h ALA 9 N -0.95 2.54 0.00 3.66 0.00 -1.94 -1.78 119.26 120.79 2ddi h ALA 9 Ca -0.45 -0.00 -0.00 0.00 0.00 0.00 0.00 54.91 54.45 2ddi h ALA 9 Cb 1.26 0.03 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ddi h ALA 9 CO 0.48 -0.83 -0.02 0.00 0.00 0.00 0.00 179.25 178.89 2ddi h VAL 11 N 0.00 1.35 -3.05 0.00 2.07 -1.61 -3.39 116.25 111.63 2ddi h VAL 11 Ca -0.00 -2.18 -0.53 0.00 0.82 0.00 0.00 66.70 64.81 2ddi h VAL 11 Cb 0.18 2.17 0.02 0.00 -1.52 0.00 0.00 31.29 32.14 2ddi h VAL 11 CO 0.00 0.66 0.69 -0.22 0.02 0.00 0.00 177.57 178.72 2ddi s LEU 12 N -8.02 4.37 0.72 2.57 2.96 0.10 -4.68 118.68 116.70 2ddi s LEU 12 Ca -0.07 2.25 -0.16 0.00 -0.22 0.00 0.00 54.13 55.93 2ddi s LEU 12 Cb 0.09 -3.58 -0.03 0.00 0.50 0.00 0.00 46.19 43.17 2ddi s LEU 12 CO 0.87 -0.61 0.60 -2.65 -1.32 0.00 0.00 176.35 173.23 2ddi n PRO 13 N 3.95 0.32 -2.24 0.98 -0.02 -1.26 -4.71 135.00 132.01 2ddi n PRO 13 Ca 0.11 0.15 -0.27 0.00 -2.02 0.00 0.00 63.50 61.47 2ddi n PRO 13 Cb 0.43 -1.89 0.05 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 -1.91 3.18 0.03 3.55 0.00 -1.26 -4.83 121.76 120.51 2ddi s ALA 14 Ca 0.66 -0.73 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2ddi s ALA 14 Cb -0.35 -2.67 -0.02 0.00 0.00 0.00 0.00 23.12 20.09 2ddi s ALA 14 CO 0.57 -1.05 -0.08 0.08 0.00 0.00 0.00 175.76 175.27 2ddi s VAL 15 N -3.15 0.60 -0.12 0.00 1.01 -1.26 -4.94 120.40 112.55 2ddi s VAL 15 Ca 0.57 -0.81 0.20 0.00 0.00 0.00 0.00 61.98 61.93 2ddi s VAL 15 Cb -0.11 -0.60 -0.25 0.00 0.00 0.00 0.00 36.38 35.42 2ddi s VAL 15 CO 0.46 -0.17 0.45 0.00 0.00 0.00 0.00 175.10 175.84 2ddi n GLN 16 N 1.98 0.66 0.00 2.72 6.02 -1.26 -4.41 117.38 123.08 2ddi n GLN 16 Ca -0.19 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.76 2ddi n GLN 16 Cb 0.56 -1.59 0.00 0.00 1.02 0.00 0.00 30.24 30.22 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 1.44 -1.37 0.00 1.08 0.00 -0.98 -1.12 105.19 104.23 2ddi n GLY 17 Ca -0.14 -1.59 0.12 0.00 0.00 0.00 0.00 46.02 44.41 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 -1.72 0.52 -0.34 1.61 -0.04 -1.26 -4.86 135.00 128.91 2ddi n PRO 18 Ca 0.00 0.04 -0.31 0.00 -0.04 0.00 0.00 63.50 63.19 2ddi n PRO 18 Cb 0.00 -1.50 0.29 0.00 -0.04 0.00 0.00 33.50 32.25 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 -5.68 0.18 -3.65 0.00 3.00 -1.26 -5.02 116.66 104.22 2ddi n ARG 20 Ca 0.12 -0.45 -0.29 0.00 -0.01 0.00 0.00 57.85 57.23 2ddi n ARG 20 Cb 0.60 -0.69 -0.04 0.00 0.00 0.00 0.00 32.46 32.33 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 -0.14 1.91 -0.26 -0.13 0.00 -1.26 -5.09 107.32 102.35 2ddi s GLY 21 Ca 0.00 -0.73 -0.01 0.00 0.00 0.00 0.00 44.72 43.98 2ddi s GLY 21 CO 0.00 -0.67 0.03 -0.98 0.00 0.00 0.00 173.10 171.48 2ddi s TRP 22 N -1.84 1.85 -0.35 1.90 0.23 -1.26 -4.29 118.94 115.19 2ddi s TRP 22 Ca 0.40 -1.58 -0.18 0.00 -2.03 0.00 0.00 56.10 52.71 2ddi s TRP 22 Cb -0.11 -1.56 -0.00 0.00 0.03 0.00 0.00 33.47 31.82 2ddi s TRP 22 CO 0.28 -0.78 0.50 -2.00 0.96 0.00 0.00 176.95 175.91 2ddi s GLU 23 N 1.57 3.61 -0.05 4.98 2.56 0.53 -4.92 118.70 126.97 2ddi s GLU 23 Ca 0.02 -0.19 -0.30 0.00 0.00 0.00 0.00 54.97 54.50 2ddi s GLU 23 Cb -0.18 -3.81 -0.05 0.00 2.00 0.00 0.00 34.13 32.09 2ddi s GLU 23 CO -0.14 -0.64 1.49 -1.25 -0.56 0.00 0.00 175.26 174.16 2ddi s PRO 24 N 2.36 4.23 0.49 4.30 0.04 -1.26 -0.94 135.00 144.22 2ddi s PRO 24 Ca 0.18 2.02 0.02 0.00 0.04 0.00 0.00 61.00 63.25 2ddi s PRO 24 Cb -0.16 -3.77 -0.01 0.00 0.04 0.00 0.00 34.50 30.61 2ddi s PRO 24 CO 0.13 -0.72 0.05 1.03 0.04 0.00 0.00 177.00 177.53 2ddi s ARG 25 N 3.26 2.15 0.04 4.56 1.81 -0.44 -4.95 118.95 125.37 2ddi s ARG 25 Ca 0.66 -2.38 0.07 0.00 -1.72 0.00 0.00 55.73 52.37 2ddi s ARG 25 Cb -0.31 -1.21 -0.02 0.00 -0.45 0.00 0.00 34.95 32.95 2ddi s ARG 25 CO 0.26 -0.45 -0.20 -1.58 -0.68 0.00 0.00 175.30 172.65 2ddi s TRP 26 N -2.99 1.75 -0.00 -0.53 0.52 -0.45 -0.16 118.94 117.08 2ddi s TRP 26 Ca 0.08 -0.37 -0.01 0.00 0.02 0.00 0.00 56.10 55.83 2ddi s TRP 26 Cb 0.01 -1.06 -0.00 0.00 -1.15 0.00 0.00 33.47 31.27 2ddi s TRP 26 CO 0.05 0.07 0.02 0.00 0.02 0.00 0.00 176.95 177.11 2ddi s ALA 27 N -0.76 -0.04 0.21 0.98 0.00 -0.32 -0.13 121.76 121.70 2ddi s ALA 27 Ca 0.07 -0.02 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2ddi s ALA 27 Cb -0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 2ddi s ALA 27 CO 0.01 -0.03 1.04 -0.47 0.00 0.00 0.00 175.76 176.31 2ddi s TYR 28 N -0.18 3.73 -0.25 0.00 6.14 -1.26 -1.22 117.35 124.31 2ddi s TYR 28 Ca -0.02 1.74 0.00 0.00 0.64 0.00 0.00 57.07 59.43 2ddi s TYR 28 Cb -0.01 -3.16 0.04 0.00 0.42 0.00 0.00 41.96 39.24 2ddi s TYR 28 CO -0.00 -0.18 -0.09 -1.12 0.64 0.00 0.00 175.55 174.80 2ddi s SER 29 N -0.56 4.25 0.28 4.32 0.01 -0.01 -4.73 113.70 117.26 2ddi s SER 29 Ca 0.46 -1.05 0.04 0.00 1.31 0.00 0.00 55.95 56.70 2ddi s SER 29 Cb -0.28 -1.61 0.41 0.00 0.21 0.00 0.00 66.02 64.76 2ddi s SER 29 CO 0.35 -0.15 1.70 1.55 0.41 0.00 0.00 173.24 177.10 2ddi h PRO 30 N 7.93 0.38 0.00 12.44 0.13 -1.83 0.10 132.00 151.15 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 1.09 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddi h PRO 30 CO 0.54 0.67 -0.01 -0.07 -0.23 0.00 0.00 178.00 178.91 2ddi h LEU 31 N 0.32 0.00 -1.02 1.56 3.38 -1.94 -0.63 115.31 116.99 2ddi h LEU 31 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ddi h LEU 31 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 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 -3.12 1.82 -1.01 1.67 4.77 -0.81 -4.98 117.00 115.32 2ddi n LEU 32 Ca -0.01 -0.80 -0.11 0.00 -0.03 0.00 0.00 56.01 55.06 2ddi n LEU 32 Cb 0.18 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.22 2ddi n LEU 32 CO 0.24 0.34 -0.11 1.67 -1.33 0.00 0.00 177.39 178.20 2ddi n GLN 33 N 0.05 -1.56 -3.81 3.23 0.00 0.23 -4.89 117.38 110.64 2ddi n GLN 33 Ca 0.08 0.79 -0.05 0.00 -0.00 0.00 0.00 57.00 57.81 2ddi n GLN 33 Cb 0.38 -5.02 -0.01 0.00 0.00 0.00 0.00 30.24 25.59 2ddi n GLN 33 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 177.06 175.92 2ddi s GLN 34 N -2.82 1.51 0.26 3.69 0.74 -0.46 -4.94 119.66 117.64 2ddi s GLN 34 Ca 0.00 -0.87 -0.14 0.00 0.05 0.00 0.00 55.36 54.40 2ddi s GLN 34 Cb 0.00 0.49 -0.08 0.00 1.10 0.00 0.00 33.01 34.52 2ddi s GLN 34 CO 0.00 -0.70 0.66 0.00 -0.55 0.00 0.00 175.29 174.70 2ddi s HIS 36 N -1.83 0.99 0.89 0.00 -3.43 -0.35 -4.93 115.29 106.62 2ddi s HIS 36 Ca 0.49 -0.70 -0.12 0.00 -0.80 0.00 0.00 55.06 53.94 2ddi s HIS 36 Cb -0.12 -0.55 0.12 0.00 -1.43 0.00 0.00 32.58 30.61 2ddi s HIS 36 CO 0.19 -0.04 1.10 -1.25 -2.00 0.00 0.00 174.74 172.74 2ddi s PRO 37 N -2.91 1.34 0.22 -0.38 0.04 -1.26 -1.17 135.00 130.88 2ddi s PRO 37 Ca 0.05 0.70 -0.20 0.00 0.04 0.00 0.00 61.00 61.59 2ddi s PRO 37 Cb -0.02 -1.83 0.04 0.00 0.04 0.00 0.00 34.50 32.73 2ddi s PRO 37 CO -0.01 -2.15 0.63 -0.59 0.04 0.00 0.00 177.00 174.91 2ddi s PHE 38 N -3.02 -0.26 -0.09 0.56 -0.71 0.78 -4.79 117.98 110.46 2ddi s PHE 38 Ca 0.63 -0.10 -0.21 0.00 -1.04 0.00 0.00 56.93 56.21 2ddi s PHE 38 Cb -0.17 0.57 -0.04 0.00 -1.21 0.00 0.00 43.02 42.17 2ddi s PHE 38 CO 0.56 -1.03 0.60 0.08 -1.34 0.00 0.00 175.22 174.08 2ddi s VAL 39 N -3.86 5.11 0.28 -2.49 1.01 -1.26 -1.33 120.40 117.86 2ddi s VAL 39 Ca 0.08 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.29 2ddi s VAL 39 Cb -0.03 -3.94 -0.05 0.00 0.00 0.00 0.00 36.38 32.36 2ddi s VAL 39 CO -0.01 0.29 0.09 -0.47 0.00 0.00 0.00 175.10 174.99 2ddi s TYR 40 N 0.72 1.67 0.00 5.22 5.04 -0.12 -4.47 117.35 125.42 2ddi s TYR 40 Ca 0.32 -1.12 0.00 0.00 -2.44 0.00 0.00 57.07 53.83 2ddi s TYR 40 Cb -0.16 -1.02 0.00 0.00 0.35 0.00 0.00 41.96 41.13 2ddi s TYR 40 CO 0.14 -0.23 0.27 0.41 -1.34 0.00 0.00 175.55 174.80 2ddi n GLY 41 N -0.54 -0.34 1.89 8.97 0.00 -0.28 -0.35 105.19 114.54 2ddi n GLY 41 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.01 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 0.25 2.77 1.18 -0.02 0.00 -1.26 -4.77 105.19 103.34 2ddi n GLY 42 Ca 0.00 0.00 -0.10 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 -2.36 0.00 -3.83 0.00 4.71 -1.26 -4.76 120.64 113.14 2ddi n GLU 44 Ca 0.05 0.00 -0.04 0.00 -0.01 0.00 0.00 57.16 57.16 2ddi n GLU 44 Cb 0.19 -0.92 0.01 0.00 -1.01 0.00 0.00 31.44 29.71 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 -0.29 0.05 0.68 0.62 0.00 -1.26 -2.33 107.32 104.80 2ddi s GLY 45 Ca 0.57 -0.28 0.01 0.00 0.00 0.00 0.00 44.72 45.02 2ddi s GLY 45 CO 0.40 1.10 0.94 -1.31 0.00 0.00 0.00 173.10 174.23 2ddi s ASN 46 N -3.19 4.54 0.31 1.64 0.01 -1.26 -4.97 114.94 112.03 2ddi s ASN 46 Ca 0.17 -0.45 0.26 0.00 -0.71 0.00 0.00 52.86 52.13 2ddi s ASN 46 Cb -0.03 0.01 1.01 0.00 0.41 0.00 0.00 41.25 42.65 2ddi s ASN 46 CO 0.06 -1.72 1.77 1.23 -1.51 0.00 0.00 177.10 176.92 2ddi h GLY 47 N -0.36 0.00 -6.09 0.66 0.00 -1.92 -3.33 103.07 92.04 2ddi h GLY 47 Ca -0.35 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.27 2ddi h GLY 47 CO 0.41 0.00 3.03 -2.01 0.00 0.00 0.00 176.54 177.97 2ddi n ASN 48 N -2.44 3.75 -3.56 0.19 2.85 -1.26 -4.78 115.26 110.01 2ddi n ASN 48 Ca 0.02 -2.82 -0.18 0.00 -0.11 0.00 0.00 54.58 51.49 2ddi n ASN 48 Cb 0.28 -1.60 -0.14 0.00 1.24 0.00 0.00 39.78 39.56 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 3.41 1.25 0.31 1.20 3.84 -1.25 -4.59 114.94 119.10 2ddi s ASN 49 Ca 0.48 -0.07 0.11 0.00 0.21 0.00 0.00 52.86 53.59 2ddi s ASN 49 Cb 0.14 0.33 -0.06 0.00 -0.55 0.00 0.00 41.25 41.11 2ddi s ASN 49 CO -0.06 -0.30 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.43 2ddi s PHE 50 N 2.31 2.35 -0.65 0.43 0.08 0.82 -4.92 117.98 118.39 2ddi s PHE 50 Ca 0.05 -0.40 0.23 0.00 0.12 0.00 0.00 56.93 56.94 2ddi s PHE 50 Cb -0.15 -1.16 0.10 0.00 -0.57 0.00 0.00 43.02 41.25 2ddi s PHE 50 CO -0.10 0.66 1.08 0.72 -0.10 0.00 0.00 175.22 177.48 2ddi n HIS 51 N -0.70 0.27 -3.77 0.36 8.25 -1.26 -1.35 115.22 117.02 2ddi n HIS 51 Ca -0.05 0.08 -0.04 0.00 -0.26 0.00 0.00 57.72 57.45 2ddi n HIS 51 Cb 0.61 -0.43 -0.01 0.00 1.12 0.00 0.00 29.99 31.28 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 -3.87 -0.16 0.12 0.41 1.04 -1.26 -4.87 113.70 105.11 2ddi s SER 52 Ca 0.05 -0.45 -0.18 0.00 0.48 0.00 0.00 55.95 55.85 2ddi s SER 52 Cb 0.15 0.51 -0.04 0.00 0.10 0.00 0.00 66.02 66.73 2ddi s SER 52 CO 0.79 -0.95 1.68 -0.09 0.98 0.00 0.00 173.24 175.64 2ddi h ARG 53 N 2.00 0.45 0.00 4.02 9.65 -1.97 -2.93 114.38 125.60 2ddi h ARG 53 Ca -0.24 -0.07 0.01 0.00 -1.10 0.00 0.00 59.98 58.57 2ddi h ARG 53 Cb 1.23 -0.08 -0.02 0.00 -1.39 0.00 0.00 29.97 29.72 2ddi h ARG 53 CO 0.26 0.44 -0.17 1.49 2.80 0.00 0.00 179.97 184.79 2ddi h GLU 54 N 0.35 -0.21 -0.69 0.20 4.81 -1.98 -1.33 114.58 115.72 2ddi h GLU 54 Ca 0.10 0.01 0.15 0.00 -0.13 0.00 0.00 59.36 59.49 2ddi h GLU 54 Cb 0.15 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.54 2ddi h GLU 54 CO -0.01 -0.14 0.47 0.66 -0.73 0.00 0.00 179.01 179.26 2ddi h SER 55 N -0.21 0.30 -0.01 1.04 4.64 -1.95 0.12 113.55 117.48 2ddi h SER 55 Ca 0.00 0.02 -0.01 0.00 -0.47 0.00 0.00 61.79 61.33 2ddi h SER 55 Cb 0.23 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ddi h SER 55 CO -0.11 0.16 -0.04 0.00 -0.87 0.00 0.00 176.83 175.97 2ddi h GLU 57 N -0.56 0.44 -0.77 0.00 5.08 -0.51 -1.68 114.58 116.57 2ddi h GLU 57 Ca -0.00 -0.10 -0.02 0.00 -1.00 0.00 0.00 59.36 58.24 2ddi h GLU 57 Cb 0.67 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.82 2ddi h GLU 57 CO 0.01 0.50 0.40 0.22 -1.00 0.00 0.00 179.01 179.15 2ddi h ASP 58 N 0.42 0.97 -0.34 1.42 3.58 -0.79 -1.38 116.42 120.30 2ddi h ASP 58 Ca 0.09 -0.11 -0.12 0.00 0.42 0.00 0.00 57.03 57.31 2ddi h ASP 58 Cb 0.36 -0.25 -0.01 0.00 1.72 0.00 0.00 39.33 41.15 2ddi h ASP 58 CO 0.02 0.81 -0.26 0.00 -2.88 0.00 0.00 179.24 176.92 2ddi h ALA 59 N 1.21 0.49 -2.84 -0.78 0.00 -0.70 -3.34 119.26 113.29 2ddi h ALA 59 Ca 0.27 -0.39 -0.61 0.00 0.00 0.00 0.00 54.91 54.17 2ddi h ALA 59 Cb 0.06 -0.11 -0.42 0.00 0.00 0.00 0.00 17.79 17.33 2ddi h ALA 59 CO -0.04 0.49 -0.62 0.00 0.00 0.00 0.00 179.25 179.08 2ddi s PRO 61 N -1.52 2.55 0.22 0.00 0.04 -0.53 -4.71 135.00 131.06 2ddi s PRO 61 Ca 0.28 1.08 0.07 0.00 0.04 0.00 0.00 61.00 62.48 2ddi s PRO 61 Cb 0.00 -1.94 -0.05 0.00 0.04 0.00 0.00 34.50 32.56 2ddi s PRO 61 CO -0.14 -1.41 -0.12 0.08 0.04 0.00 0.00 177.00 175.44 2ddi s VAL 62 N -2.96 1.69 0.34 -0.36 1.01 -1.26 -1.13 120.40 117.73 2ddi s VAL 62 Ca 0.60 -2.19 0.02 0.00 0.00 0.00 0.00 61.98 60.41 2ddi s VAL 62 Cb -0.16 -2.12 -0.01 0.00 0.00 0.00 0.00 36.38 34.10 2ddi s VAL 62 CO 0.55 -0.54 0.07 0.52 0.00 0.00 0.00 175.10 175.70 2ddi n VAL 63 N -0.41 0.00 -1.59 2.92 0.31 -1.26 -4.98 118.33 113.32 2ddi n VAL 63 Ca -0.07 -1.80 -0.46 0.00 -0.01 0.00 0.00 64.34 61.99 2ddi n VAL 63 Cb 0.61 0.54 -0.03 0.00 -0.91 0.00 0.00 33.84 34.05 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 -1.49 1.40 0.00 4.52 2.03 -1.26 -4.85 116.55 116.89 2ddi n ASP 64 Ca -0.09 1.16 0.04 0.00 0.52 0.00 0.00 54.79 56.42 2ddi n ASP 64 Cb 0.47 -1.26 0.18 0.00 -0.72 0.00 0.00 41.12 39.79 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 0.91 0.00 0.93 -0.67 8.25 -1.26 -1.22 115.22 122.16 2ddi n HIS 65 Ca 0.12 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.71 2ddi n HIS 65 Cb 0.29 -0.35 0.57 0.00 1.12 0.00 0.00 29.99 31.62 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 -1.35 0.00 -1.55 4.41 8.25 -1.26 -4.76 115.22 118.96 2ddi n HIS 66 Ca 0.03 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.35 2ddi n HIS 66 Cb 0.07 -0.49 -0.10 0.00 1.12 0.00 0.00 29.99 30.59 2ddi n HIS 66 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 2ddi n HIS 67 N -1.49 0.97 -1.97 4.41 -0.00 -0.36 -4.94 115.22 111.84 2ddi n HIS 67 Ca 0.07 -0.02 -0.42 0.00 -0.00 0.00 0.00 57.72 57.35 2ddi n HIS 67 Cb 0.31 -2.29 -0.02 0.00 -0.00 0.00 0.00 29.99 27.99 2ddi n HIS 67 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 2ddi s HIS 68 N 12.68 3.01 0.00 1.57 2.46 -1.26 -5.02 115.29 128.73 2ddi s HIS 68 Ca 0.97 0.90 0.00 0.00 0.47 0.00 0.00 55.06 57.40 2ddi s HIS 68 Cb -0.23 -3.87 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 2ddi s HIS 68 CO 0.16 -2.94 0.00 0.72 -2.47 0.00 0.00 174.74 170.20 2ddi n HIS 69 N 2.75 0.00 0.15 3.88 8.25 -1.26 -5.17 115.22 123.82 2ddi n HIS 69 Ca 0.09 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.56 2ddi n HIS 69 Cb 0.40 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.58 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56