#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 0.00 -0.30 -1.84 0.00 -1.26 -4.62 120.51 112.49 2ddi n ALA 2 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 2ddi n ALA 2 Cb 0.00 0.00 0.15 0.00 0.00 0.00 0.00 19.45 19.60 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 0.87 -5.55 0.00 3.07 -1.91 -3.43 114.58 107.63 2ddi h GLU 3 Ca 0.00 -0.05 -0.63 0.00 -0.50 0.00 0.00 59.36 58.18 2ddi h GLU 3 Cb 0.00 -0.20 -0.10 0.00 -0.84 0.00 0.00 28.75 27.61 2ddi h GLU 3 CO 0.00 0.58 -0.46 0.00 -1.40 0.00 0.00 179.01 177.73 2ddi s ALA 4 N -6.05 4.03 0.41 3.43 0.00 -1.19 -5.03 121.76 117.35 2ddi s ALA 4 Ca -0.13 -1.08 0.15 0.00 0.00 0.00 0.00 51.96 50.91 2ddi s ALA 4 Cb 0.18 -0.23 0.92 0.00 0.00 0.00 0.00 23.12 24.00 2ddi s ALA 4 CO 0.79 -0.17 1.93 0.93 0.00 0.00 0.00 175.76 179.23 2ddi h GLU 5 N 1.24 0.00 -2.10 0.00 4.39 -1.91 -3.36 114.58 112.84 2ddi h GLU 5 Ca -0.42 0.00 -0.39 0.00 0.34 0.00 0.00 59.36 58.89 2ddi h GLU 5 Cb 1.29 0.00 -0.33 0.00 -0.10 0.00 0.00 28.75 29.62 2ddi h GLU 5 CO 0.70 0.26 -0.70 0.12 -1.16 0.00 0.00 179.01 178.23 2ddi s PHE 6 N -4.40 -0.19 0.00 4.33 5.36 -1.26 -0.08 117.98 121.74 2ddi s PHE 6 Ca -0.03 -0.78 0.00 0.00 -0.96 0.00 0.00 56.93 55.16 2ddi s PHE 6 Cb 0.15 -0.50 0.00 0.00 -0.34 0.00 0.00 43.02 42.33 2ddi s PHE 6 CO 0.70 -0.94 0.00 2.41 -1.46 0.00 0.00 175.22 175.93 2ddi n THR 7 N 4.49 0.00 -4.08 0.12 -1.04 -1.26 -5.10 114.28 107.41 2ddi n THR 7 Ca 0.08 0.00 -0.17 0.00 -2.04 0.00 0.00 64.05 61.92 2ddi n THR 7 Cb 0.44 0.00 -0.15 0.00 -1.82 0.00 0.00 70.33 68.80 2ddi n THR 7 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 2ddi s ASP 8 N 0.00 0.59 0.55 8.00 -1.08 -1.26 -3.16 116.67 120.31 2ddi s ASP 8 Ca 0.00 -0.08 0.38 0.00 -0.52 0.00 0.00 52.55 52.33 2ddi s ASP 8 Cb 0.00 -0.20 1.55 0.00 -1.46 0.00 0.00 42.92 42.82 2ddi s ASP 8 CO 0.00 -0.01 1.76 0.00 0.52 0.00 0.00 175.17 177.44 2ddi h ALA 9 N 6.65 3.17 0.00 3.66 0.00 -1.95 -1.65 119.26 129.14 2ddi h ALA 9 Ca -0.35 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.52 2ddi h ALA 9 Cb 1.17 0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.05 2ddi h ALA 9 CO 0.49 -1.56 0.00 0.00 0.00 0.00 0.00 179.25 178.18 2ddi h VAL 11 N 0.00 1.45 -3.21 0.00 2.07 -1.60 -3.40 116.25 111.55 2ddi h VAL 11 Ca 0.00 -3.10 -0.53 0.00 0.82 0.00 0.00 66.70 63.90 2ddi h VAL 11 Cb 0.25 2.71 0.02 0.00 -1.52 0.00 0.00 31.29 32.75 2ddi h VAL 11 CO 0.00 0.82 0.64 -0.22 0.02 0.00 0.00 177.57 178.83 2ddi s LEU 12 N -6.58 4.39 0.87 2.57 2.96 -0.10 -4.90 118.68 117.90 2ddi s LEU 12 Ca 0.01 2.25 -0.14 0.00 -0.22 0.00 0.00 54.13 56.03 2ddi s LEU 12 Cb 0.09 -3.59 0.00 0.00 0.50 0.00 0.00 46.19 43.19 2ddi s LEU 12 CO 0.81 -0.53 0.40 -2.65 -1.32 0.00 0.00 176.35 173.06 2ddi n PRO 13 N 3.41 -0.06 -1.83 0.98 -0.02 -1.26 -4.72 135.00 131.50 2ddi n PRO 13 Ca 0.08 0.03 -0.30 0.00 -2.02 0.00 0.00 63.50 61.29 2ddi n PRO 13 Cb 0.44 -1.81 0.05 0.00 -0.02 0.00 0.00 33.50 32.15 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 -2.20 2.80 0.04 3.55 0.00 -1.26 -4.82 121.76 119.87 2ddi s ALA 14 Ca 0.59 -0.32 0.01 0.00 0.00 0.00 0.00 51.96 52.25 2ddi s ALA 14 Cb -0.26 -3.04 -0.03 0.00 0.00 0.00 0.00 23.12 19.80 2ddi s ALA 14 CO 0.65 -1.22 -0.06 0.08 0.00 0.00 0.00 175.76 175.21 2ddi s VAL 15 N -3.33 0.41 -0.15 0.00 1.01 -1.26 -4.96 120.40 112.12 2ddi s VAL 15 Ca 0.59 -1.15 0.19 0.00 0.00 0.00 0.00 61.98 61.61 2ddi s VAL 15 Cb -0.12 -0.65 -0.27 0.00 0.00 0.00 0.00 36.38 35.35 2ddi s VAL 15 CO 0.52 -0.49 0.21 0.00 0.00 0.00 0.00 175.10 175.34 2ddi n GLN 16 N 1.29 0.68 0.00 2.72 6.02 -1.26 -4.60 117.38 122.23 2ddi n GLN 16 Ca -0.22 -0.04 0.00 0.00 -0.01 0.00 0.00 57.00 56.74 2ddi n GLN 16 Cb 0.56 -1.54 0.00 0.00 1.02 0.00 0.00 30.24 30.28 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 1.62 -0.69 0.21 1.08 0.00 -0.69 -0.98 105.19 105.75 2ddi n GLY 17 Ca -0.25 -1.70 0.07 0.00 0.00 0.00 0.00 46.02 44.14 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 -7.20 1.61 0.13 -1.92 -3.45 132.00 121.17 2ddi h PRO 18 Ca 0.00 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.61 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 0.28 0.37 0.00 -0.23 0.00 0.00 178.00 178.41 2ddi n ARG 20 N -2.71 1.43 -1.29 0.00 3.00 -1.26 -4.55 116.66 111.28 2ddi n ARG 20 Ca 0.11 -1.49 -0.32 0.00 -0.01 0.00 0.00 57.85 56.14 2ddi n ARG 20 Cb 0.51 -1.23 0.10 0.00 0.00 0.00 0.00 32.46 31.85 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 -0.93 1.94 -0.22 -0.13 0.00 -1.26 -5.01 107.32 101.71 2ddi s GLY 21 Ca 0.16 0.55 -0.02 0.00 0.00 0.00 0.00 44.72 45.41 2ddi s GLY 21 CO 0.14 0.92 0.03 -0.98 0.00 0.00 0.00 173.10 173.21 2ddi s TRP 22 N -2.50 1.35 -0.20 1.90 0.23 -1.26 -3.68 118.94 114.78 2ddi s TRP 22 Ca 0.67 -1.14 -0.06 0.00 -2.03 0.00 0.00 56.10 53.53 2ddi s TRP 22 Cb -0.22 -1.22 -0.03 0.00 0.03 0.00 0.00 33.47 32.03 2ddi s TRP 22 CO 0.50 -0.68 0.04 -2.00 0.96 0.00 0.00 176.95 175.77 2ddi s GLU 23 N 1.75 3.78 -0.27 4.98 2.12 0.32 -4.94 118.70 126.43 2ddi s GLU 23 Ca -0.00 -0.44 -0.29 0.00 0.36 0.00 0.00 54.97 54.60 2ddi s GLU 23 Cb -0.17 -3.18 -0.02 0.00 0.26 0.00 0.00 34.13 31.02 2ddi s GLU 23 CO -0.11 0.09 1.56 -1.25 -0.54 0.00 0.00 175.26 175.02 2ddi s PRO 24 N 0.83 3.73 0.55 4.30 0.04 -1.26 -1.62 135.00 141.58 2ddi s PRO 24 Ca 0.02 1.48 0.06 0.00 0.04 0.00 0.00 61.00 62.60 2ddi s PRO 24 Cb -0.14 -4.03 0.05 0.00 0.04 0.00 0.00 34.50 30.42 2ddi s PRO 24 CO 0.02 -1.37 0.48 1.03 0.04 0.00 0.00 177.00 177.21 2ddi s ARG 25 N 4.75 2.26 0.02 4.56 1.81 -0.30 -4.83 118.95 127.21 2ddi s ARG 25 Ca 0.69 -1.96 0.03 0.00 -1.72 0.00 0.00 55.73 52.77 2ddi s ARG 25 Cb -0.22 -2.20 -0.01 0.00 -0.45 0.00 0.00 34.95 32.07 2ddi s ARG 25 CO 0.29 -0.68 -0.10 -1.58 -0.68 0.00 0.00 175.30 172.55 2ddi s TRP 26 N -2.76 0.85 0.00 -0.53 0.52 0.46 -0.27 118.94 117.21 2ddi s TRP 26 Ca 0.39 -0.27 -0.05 0.00 0.02 0.00 0.00 56.10 56.19 2ddi s TRP 26 Cb -0.03 -0.52 -0.00 0.00 -1.15 0.00 0.00 33.47 31.76 2ddi s TRP 26 CO 0.24 -0.01 0.09 0.00 0.02 0.00 0.00 176.95 177.29 2ddi s ALA 27 N -0.61 -0.20 0.20 0.98 0.00 -0.44 -0.58 121.76 121.11 2ddi s ALA 27 Ca 0.00 -0.23 -0.25 0.00 0.00 0.00 0.00 51.96 51.48 2ddi s ALA 27 Cb -0.06 0.10 -0.08 0.00 0.00 0.00 0.00 23.12 23.08 2ddi s ALA 27 CO 0.00 -0.19 0.80 -0.47 0.00 0.00 0.00 175.76 175.90 2ddi s TYR 28 N -1.32 3.84 -0.25 0.00 5.04 -1.26 -1.27 117.35 122.13 2ddi s TYR 28 Ca -0.14 1.62 0.00 0.00 -2.44 0.00 0.00 57.07 56.11 2ddi s TYR 28 Cb -0.08 -2.77 0.04 0.00 0.35 0.00 0.00 41.96 39.50 2ddi s TYR 28 CO 0.01 0.44 -0.09 -1.12 -1.34 0.00 0.00 175.55 173.45 2ddi s SER 29 N -1.31 4.29 0.30 4.32 0.01 0.21 -4.78 113.70 116.73 2ddi s SER 29 Ca 0.39 -1.08 0.07 0.00 1.31 0.00 0.00 55.95 56.64 2ddi s SER 29 Cb -0.21 -1.61 0.46 0.00 0.21 0.00 0.00 66.02 64.87 2ddi s SER 29 CO 0.25 -0.15 1.70 1.55 0.41 0.00 0.00 173.24 177.00 2ddi h PRO 30 N 7.92 0.21 0.00 12.44 0.13 -1.82 0.83 132.00 151.71 2ddi h PRO 30 Ca -0.28 -0.10 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 2ddi h PRO 30 Cb 1.08 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.61 0.00 -0.07 -0.23 0.00 0.00 178.00 178.85 2ddi h LEU 31 N 0.18 0.00 -0.73 1.56 3.38 -1.94 -0.88 115.31 116.88 2ddi h LEU 31 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2ddi h LEU 31 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 2ddi h LEU 31 CO 0.06 0.00 -0.17 0.18 0.09 0.00 0.00 178.44 178.61 2ddi n LEU 32 N -2.35 1.11 -3.63 1.67 4.77 -0.79 -5.00 117.00 112.78 2ddi n LEU 32 Ca 0.00 -0.77 -0.27 0.00 -0.03 0.00 0.00 56.01 54.94 2ddi n LEU 32 Cb 0.13 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2ddi n LEU 32 CO 0.15 0.23 -0.04 1.67 -1.33 0.00 0.00 177.39 178.07 2ddi n GLN 33 N -0.27 -3.01 -3.75 3.23 7.27 0.21 -4.89 117.38 116.16 2ddi n GLN 33 Ca 0.03 0.37 -0.05 0.00 0.07 0.00 0.00 57.00 57.43 2ddi n GLN 33 Cb 0.17 -5.05 -0.02 0.00 2.41 0.00 0.00 30.24 27.75 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 -6.29 1.32 0.16 3.69 0.74 -0.73 -4.56 119.66 114.00 2ddi s GLN 34 Ca 0.50 -0.71 -0.04 0.00 0.05 0.00 0.00 55.36 55.16 2ddi s GLN 34 Cb -0.27 0.46 -0.05 0.00 1.10 0.00 0.00 33.01 34.24 2ddi s GLN 34 CO 0.62 -0.60 0.39 0.00 -0.55 0.00 0.00 175.29 175.15 2ddi s HIS 36 N -1.72 0.88 0.95 0.00 -3.43 -0.39 -4.95 115.29 106.62 2ddi s HIS 36 Ca 0.41 -0.72 -0.12 0.00 -0.80 0.00 0.00 55.06 53.83 2ddi s HIS 36 Cb -0.12 -0.50 0.16 0.00 -1.43 0.00 0.00 32.58 30.69 2ddi s HIS 36 CO 0.25 -0.09 1.11 -1.25 -2.00 0.00 0.00 174.74 172.77 2ddi s PRO 37 N -2.86 0.85 0.29 -0.38 0.04 -1.26 -1.33 135.00 130.35 2ddi s PRO 37 Ca 0.03 0.41 -0.20 0.00 0.04 0.00 0.00 61.00 61.29 2ddi s PRO 37 Cb -0.02 -1.79 0.05 0.00 0.04 0.00 0.00 34.50 32.78 2ddi s PRO 37 CO -0.02 -2.42 0.85 -0.59 0.04 0.00 0.00 177.00 174.85 2ddi s PHE 38 N -3.13 -0.01 -0.16 0.56 -0.71 0.63 -4.77 117.98 110.41 2ddi s PHE 38 Ca 0.64 -0.51 -0.01 0.00 -1.04 0.00 0.00 56.93 56.02 2ddi s PHE 38 Cb -0.17 0.75 -0.01 0.00 -1.21 0.00 0.00 43.02 42.39 2ddi s PHE 38 CO 0.55 -1.25 -0.12 0.08 -1.34 0.00 0.00 175.22 173.14 2ddi s VAL 39 N -2.84 3.04 0.15 -2.49 1.01 -1.26 -1.15 120.40 116.85 2ddi s VAL 39 Ca 0.15 -0.65 0.04 0.00 0.00 0.00 0.00 61.98 61.53 2ddi s VAL 39 Cb -0.04 -2.30 -0.04 0.00 0.00 0.00 0.00 36.38 33.99 2ddi s VAL 39 CO 0.08 0.50 -0.10 -0.47 0.00 0.00 0.00 175.10 175.11 2ddi s TYR 40 N 0.72 1.25 -0.15 5.22 6.14 -0.64 -4.68 117.35 125.21 2ddi s TYR 40 Ca -0.05 -0.77 0.17 0.00 0.64 0.00 0.00 57.07 57.06 2ddi s TYR 40 Cb -0.15 -0.64 0.33 0.00 0.42 0.00 0.00 41.96 41.92 2ddi s TYR 40 CO 0.02 0.07 1.21 0.41 0.64 0.00 0.00 175.55 177.90 2ddi n GLY 41 N -0.19 4.56 2.63 8.97 0.00 -0.15 -0.52 105.19 120.47 2ddi n GLY 41 Ca -0.10 -1.05 0.00 0.00 0.00 0.00 0.00 46.02 44.87 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 -1.14 2.06 1.08 -0.02 0.00 -1.26 -4.63 105.19 101.27 2ddi n GLY 42 Ca 0.16 -0.35 -0.10 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.84 0.00 -3.88 0.00 4.71 -1.26 -4.60 120.64 112.78 2ddi n GLU 44 Ca 0.05 0.00 -0.09 0.00 -0.01 0.00 0.00 57.16 57.11 2ddi n GLU 44 Cb 0.19 -0.89 -0.01 0.00 -1.01 0.00 0.00 31.44 29.73 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 -0.26 0.35 0.56 0.62 0.00 -1.26 -1.70 107.32 105.63 2ddi s GLY 45 Ca 0.55 -0.70 0.01 0.00 0.00 0.00 0.00 44.72 44.58 2ddi s GLY 45 CO 0.38 -0.35 0.76 0.70 0.00 0.00 0.00 173.10 174.60 2ddi n ASN 46 N -0.98 1.15 0.24 1.64 3.02 -1.26 -4.99 115.26 114.08 2ddi n ASN 46 Ca -0.05 -1.94 0.11 0.00 -0.03 0.00 0.00 54.58 52.67 2ddi n ASN 46 Cb 0.60 -0.48 0.56 0.00 -0.61 0.00 0.00 39.78 39.85 2ddi n ASN 46 CO 0.00 0.00 0.00 1.23 -2.62 0.00 0.00 177.26 175.87 2ddi h GLY 47 N -0.39 0.00 -5.97 7.41 0.00 -1.92 -3.31 103.07 98.89 2ddi h GLY 47 Ca -0.25 0.00 -0.70 0.00 0.00 0.00 0.00 47.33 46.38 2ddi h GLY 47 CO 0.28 0.00 3.09 -2.01 0.00 0.00 0.00 176.54 177.90 2ddi n ASN 48 N -3.42 4.10 -3.43 0.19 5.15 -1.26 -4.77 115.26 111.82 2ddi n ASN 48 Ca -0.00 -2.79 -0.08 0.00 -0.60 0.00 0.00 54.58 51.10 2ddi n ASN 48 Cb 0.36 -1.58 -0.08 0.00 -0.53 0.00 0.00 39.78 37.96 2ddi n ASN 48 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2ddi s ASN 49 N 3.34 -0.03 0.15 1.20 3.84 -1.25 -4.55 114.94 117.66 2ddi s ASN 49 Ca 0.50 0.51 0.07 0.00 0.21 0.00 0.00 52.86 54.15 2ddi s ASN 49 Cb 0.14 1.26 -0.04 0.00 -0.55 0.00 0.00 41.25 42.06 2ddi s ASN 49 CO -0.06 -0.28 -0.15 -0.36 -2.79 0.00 0.00 177.10 173.47 2ddi s PHE 50 N 2.59 1.55 -1.30 0.43 0.08 0.25 -4.93 117.98 116.64 2ddi s PHE 50 Ca 0.09 -0.57 0.24 0.00 0.12 0.00 0.00 56.93 56.81 2ddi s PHE 50 Cb -0.14 -0.77 0.34 0.00 -0.57 0.00 0.00 43.02 41.88 2ddi s PHE 50 CO -0.15 0.23 1.30 0.72 -0.10 0.00 0.00 175.22 177.21 2ddi n HIS 51 N 0.17 0.00 -3.75 0.36 8.25 -1.26 -0.41 115.22 118.58 2ddi n HIS 51 Ca -0.12 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.24 2ddi n HIS 51 Cb 0.58 -0.13 -0.03 0.00 1.12 0.00 0.00 29.99 31.53 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 -2.82 -0.29 0.13 0.41 1.04 -1.26 -4.82 113.70 106.09 2ddi s SER 52 Ca 0.14 -0.49 -0.19 0.00 0.48 0.00 0.00 55.95 55.89 2ddi s SER 52 Cb 0.18 0.63 -0.05 0.00 0.10 0.00 0.00 66.02 66.88 2ddi s SER 52 CO 0.68 -1.14 1.78 -0.09 0.98 0.00 0.00 173.24 175.45 2ddi h ARG 53 N 2.12 0.35 -0.18 4.02 9.65 -1.96 -2.58 114.38 125.79 2ddi h ARG 53 Ca -0.26 -0.02 0.02 0.00 -1.10 0.00 0.00 59.98 58.61 2ddi h ARG 53 Cb 1.26 -0.08 -0.03 0.00 -1.39 0.00 0.00 29.97 29.74 2ddi h ARG 53 CO 0.33 0.24 -0.19 1.49 2.80 0.00 0.00 179.97 184.64 2ddi h GLU 54 N 0.34 -0.11 -0.59 0.20 4.22 -1.97 0.11 114.58 116.79 2ddi h GLU 54 Ca 0.09 0.01 -0.00 0.00 0.08 0.00 0.00 59.36 59.54 2ddi h GLU 54 Cb -0.02 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2ddi h GLU 54 CO -0.02 -0.07 0.35 0.66 -2.18 0.00 0.00 179.01 177.75 2ddi h SER 55 N -0.11 0.70 -0.09 1.04 4.64 -1.94 -0.33 113.55 117.45 2ddi h SER 55 Ca 0.03 -0.04 -0.04 0.00 -0.47 0.00 0.00 61.79 61.28 2ddi h SER 55 Cb 0.19 -0.18 -0.00 0.00 -0.31 0.00 0.00 62.40 62.11 2ddi h SER 55 CO -0.23 0.54 -0.08 0.00 -0.87 0.00 0.00 176.83 176.19 2ddi h GLU 57 N -0.18 0.35 -0.27 0.00 4.39 -0.24 -0.22 114.58 118.41 2ddi h GLU 57 Ca 0.02 -0.07 -0.19 0.00 0.34 0.00 0.00 59.36 59.46 2ddi h GLU 57 Cb 0.58 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.18 2ddi h GLU 57 CO 0.02 0.41 -0.57 0.22 -1.16 0.00 0.00 179.01 177.93 2ddi h ASP 58 N 0.34 0.97 0.79 1.42 3.58 -1.01 -3.10 116.42 119.40 2ddi h ASP 58 Ca 0.07 -0.55 -0.04 0.00 0.42 0.00 0.00 57.03 56.94 2ddi h ASP 58 Cb 0.30 -0.28 0.01 0.00 1.72 0.00 0.00 39.33 41.08 2ddi h ASP 58 CO 0.01 1.34 -0.38 0.00 -2.88 0.00 0.00 179.24 177.33 2ddi h ALA 59 N 0.66 -1.05 -3.73 -0.78 0.00 -0.18 -3.40 119.26 110.78 2ddi h ALA 59 Ca 0.01 -0.24 -0.65 0.00 0.00 0.00 0.00 54.91 54.03 2ddi h ALA 59 Cb 1.18 0.41 -0.38 0.00 0.00 0.00 0.00 17.79 19.00 2ddi h ALA 59 CO 0.13 -1.01 -0.78 0.00 0.00 0.00 0.00 179.25 177.59 2ddi n PRO 61 N 4.48 1.36 0.00 0.00 -0.04 -1.17 -4.20 135.00 135.42 2ddi n PRO 61 Ca -0.09 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.37 2ddi n PRO 61 Cb 0.43 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.89 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 -0.80 0.00 -1.62 0.52 0.31 -1.26 -4.69 118.33 110.78 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 -0.25 -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 0.07 -1.89 2.52 0.31 -1.26 -4.80 118.33 113.29 2ddi n VAL 63 Ca 0.00 -0.01 -0.42 0.00 -0.01 0.00 0.00 64.34 63.90 2ddi n VAL 63 Cb 0.00 -0.64 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 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 1.51 6.52 0.28 4.52 -1.08 -1.26 -4.92 116.67 122.24 2ddi s ASP 64 Ca 0.93 2.77 0.24 0.00 -0.52 0.00 0.00 52.55 55.96 2ddi s ASP 64 Cb -1.16 -2.62 0.31 0.00 -1.46 0.00 0.00 42.92 37.99 2ddi s ASP 64 CO 0.60 -0.83 1.42 0.45 0.52 0.00 0.00 175.17 177.33 2ddi h HIS 65 N 5.66 0.00 0.00 -5.34 3.86 -1.93 -3.48 115.15 113.92 2ddi h HIS 65 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2ddi h HIS 65 Cb 1.21 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.68 2ddi h HIS 65 CO 0.61 0.00 0.00 -2.39 0.86 0.00 0.00 177.93 177.01 2ddi n HIS 66 N -2.68 0.00 -3.58 2.45 1.44 -1.26 -5.19 115.22 106.40 2ddi n HIS 66 Ca 0.03 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.66 2ddi n HIS 66 Cb 0.51 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.57 2ddi n HIS 66 CO 0.00 0.00 0.00 -1.01 -2.81 0.00 0.00 176.34 172.52 2ddi s HIS 67 N 1.02 -0.29 -0.58 -1.40 3.76 -1.26 -5.06 115.29 111.49 2ddi s HIS 67 Ca 0.00 0.43 -0.07 0.00 -0.15 0.00 0.00 55.06 55.27 2ddi s HIS 67 Cb 0.00 0.47 -0.18 0.00 1.11 0.00 0.00 32.58 33.98 2ddi s HIS 67 CO 0.00 -0.30 3.15 0.72 -0.85 0.00 0.00 174.74 177.46 2ddi n HIS 68 N 0.49 0.86 -3.81 1.40 8.25 -1.26 -4.84 115.22 116.31 2ddi n HIS 68 Ca -0.07 -1.96 -0.08 0.00 -0.26 0.00 0.00 57.72 55.35 2ddi n HIS 68 Cb 0.59 -1.83 0.03 0.00 1.12 0.00 0.00 29.99 29.90 2ddi n HIS 68 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ddi s HIS 69 N 1.65 0.14 0.00 4.41 2.46 -1.26 -4.28 115.29 118.41 2ddi s HIS 69 Ca 0.62 -0.80 0.00 0.00 0.47 0.00 0.00 55.06 55.35 2ddi s HIS 69 Cb 0.24 0.84 0.00 0.00 -0.13 0.00 0.00 32.58 33.53 2ddi s HIS 69 CO -0.02 -1.52 0.00 1.58 -2.47 0.00 0.00 174.74 172.31