#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 2.45 -0.09 0.62 0.00 -1.26 -3.96 121.76 119.52 2ddi s ALA 2 Ca 0.00 -2.03 -0.05 0.00 0.00 0.00 0.00 51.96 49.88 2ddi s ALA 2 Cb 0.00 0.43 -0.02 0.00 0.00 0.00 0.00 23.12 23.53 2ddi s ALA 2 CO 0.00 -0.20 -0.09 0.93 0.00 0.00 0.00 175.76 176.40 2ddi h GLU 3 N 2.13 0.00 -5.48 0.00 4.39 -1.63 -3.40 114.58 110.59 2ddi h GLU 3 Ca -0.41 0.00 -0.64 0.00 0.34 0.00 0.00 59.36 58.65 2ddi h GLU 3 Cb 1.24 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.79 2ddi h GLU 3 CO 0.70 0.00 -0.46 0.00 -1.16 0.00 0.00 179.01 178.09 2ddi s ALA 4 N -2.78 4.12 0.46 3.43 0.00 -1.23 -5.02 121.76 120.76 2ddi s ALA 4 Ca -0.07 -0.85 0.21 0.00 0.00 0.00 0.00 51.96 51.26 2ddi s ALA 4 Cb 0.01 -0.21 1.21 0.00 0.00 0.00 0.00 23.12 24.13 2ddi s ALA 4 CO 0.11 -0.16 1.90 0.93 0.00 0.00 0.00 175.76 178.54 2ddi h GLU 5 N 1.20 0.25 -2.70 0.00 5.08 -2.05 -3.22 114.58 113.14 2ddi h GLU 5 Ca -0.42 -0.02 -0.57 0.00 -1.00 0.00 0.00 59.36 57.36 2ddi h GLU 5 Cb 1.30 -0.06 -0.39 0.00 0.50 0.00 0.00 28.75 30.10 2ddi h GLU 5 CO 0.69 0.17 -0.82 0.12 -1.00 0.00 0.00 179.01 178.17 2ddi s PHE 6 N -5.26 0.74 0.00 4.33 5.36 -1.26 -4.94 117.98 116.94 2ddi s PHE 6 Ca -0.07 -1.49 0.00 0.00 -0.96 0.00 0.00 56.93 54.41 2ddi s PHE 6 Cb 0.22 -1.01 0.00 0.00 -0.34 0.00 0.00 43.02 41.89 2ddi s PHE 6 CO 0.77 -0.83 0.00 2.41 -1.46 0.00 0.00 175.22 176.11 2ddi n THR 7 N 4.36 0.00 -2.45 0.12 -1.04 -1.22 -5.06 114.28 109.00 2ddi n THR 7 Ca 0.07 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.65 2ddi n THR 7 Cb 0.38 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.87 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 6.96 0.63 8.00 -1.08 -1.26 -1.61 116.67 128.31 2ddi s ASP 8 Ca 0.00 1.67 0.25 0.00 -0.52 0.00 0.00 52.55 53.95 2ddi s ASP 8 Cb 0.00 -2.54 1.27 0.00 -1.46 0.00 0.00 42.92 40.19 2ddi s ASP 8 CO 0.00 -0.75 1.71 0.00 0.52 0.00 0.00 175.17 176.65 2ddi h ALA 9 N 8.11 2.00 -1.12 3.66 0.00 -1.86 -2.11 119.26 127.95 2ddi h ALA 9 Ca -0.26 -0.01 0.32 0.00 0.00 0.00 0.00 54.91 54.96 2ddi h ALA 9 Cb 1.10 0.03 -0.04 0.00 0.00 0.00 0.00 17.79 18.87 2ddi h ALA 9 CO 0.97 -0.78 0.82 0.00 0.00 0.00 0.00 179.25 180.26 2ddi h VAL 11 N 0.00 1.01 -3.82 0.00 2.07 -1.72 -3.40 116.25 110.40 2ddi h VAL 11 Ca 0.53 -1.64 -0.49 0.00 0.82 0.00 0.00 66.70 65.93 2ddi h VAL 11 Cb 2.17 1.97 -0.00 0.00 -1.52 0.00 0.00 31.29 33.90 2ddi h VAL 11 CO -0.01 0.42 0.17 -0.22 0.02 0.00 0.00 177.57 177.96 2ddi s LEU 12 N -7.22 3.87 0.97 2.57 2.96 0.01 -4.85 118.68 116.99 2ddi s LEU 12 Ca -0.00 1.30 -0.12 0.00 -0.22 0.00 0.00 54.13 55.08 2ddi s LEU 12 Cb 0.11 -4.16 0.09 0.00 0.50 0.00 0.00 46.19 42.73 2ddi s LEU 12 CO 0.70 -0.37 0.60 -2.65 -1.32 0.00 0.00 176.35 173.32 2ddi n PRO 13 N -1.02 -0.57 -2.32 0.98 -0.02 -1.26 -4.87 135.00 125.92 2ddi n PRO 13 Ca 0.04 -0.12 -0.43 0.00 -2.02 0.00 0.00 63.50 60.97 2ddi n PRO 13 Cb 0.54 -2.00 -0.02 0.00 -0.02 0.00 0.00 33.50 31.99 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 -2.45 3.25 -0.35 3.55 0.00 -1.26 -4.74 121.76 119.77 2ddi s ALA 14 Ca 0.60 0.13 -0.19 0.00 0.00 0.00 0.00 51.96 52.50 2ddi s ALA 14 Cb -0.21 -3.84 -0.00 0.00 0.00 0.00 0.00 23.12 19.07 2ddi s ALA 14 CO 0.65 -1.99 0.54 0.08 0.00 0.00 0.00 175.76 175.03 2ddi s VAL 15 N 4.90 4.99 -0.14 0.00 1.01 -1.26 -4.92 120.40 124.99 2ddi s VAL 15 Ca 0.62 0.42 0.17 0.00 0.00 0.00 0.00 61.98 63.19 2ddi s VAL 15 Cb -0.18 -3.98 0.11 0.00 0.00 0.00 0.00 36.38 32.33 2ddi s VAL 15 CO 0.27 -0.22 1.51 1.56 0.00 0.00 0.00 175.10 178.23 2ddi h GLN 16 N 8.43 0.00 0.00 2.72 4.20 -1.93 -3.42 115.11 125.11 2ddi h GLN 16 Ca -0.28 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.43 2ddi h GLN 16 Cb 1.12 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.90 2ddi h GLN 16 CO 0.78 0.42 0.00 0.41 -0.67 0.00 0.00 178.83 179.77 2ddi n GLY 17 N 1.05 -1.21 0.14 3.46 0.00 -1.26 -0.23 105.19 107.15 2ddi n GLY 17 Ca 0.02 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.56 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 -1.35 0.60 -1.15 1.61 -0.04 -1.25 -4.82 135.00 128.59 2ddi n PRO 18 Ca 0.00 -0.28 -0.25 0.00 -0.04 0.00 0.00 63.50 62.93 2ddi n PRO 18 Cb 0.00 -1.49 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 -3.94 0.23 -3.32 0.00 1.74 -1.26 -4.92 116.66 105.18 2ddi n ARG 20 Ca 0.13 -0.51 -0.29 0.00 -0.77 0.00 0.00 57.85 56.41 2ddi n ARG 20 Cb 0.49 -0.74 -0.03 0.00 -1.02 0.00 0.00 32.46 31.16 2ddi n ARG 20 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 2ddi s GLY 21 N -0.18 1.89 -0.08 -0.13 0.00 -1.26 -5.09 107.32 102.47 2ddi s GLY 21 Ca 0.00 -0.52 -0.00 0.00 0.00 0.00 0.00 44.72 44.19 2ddi s GLY 21 CO 0.00 -0.41 -0.05 -0.98 0.00 0.00 0.00 173.10 171.67 2ddi s TRP 22 N -2.08 1.05 -0.20 1.90 0.23 -1.26 -4.22 118.94 114.36 2ddi s TRP 22 Ca 0.44 -0.41 0.01 0.00 -2.03 0.00 0.00 56.10 54.11 2ddi s TRP 22 Cb -0.11 -0.96 0.05 0.00 0.03 0.00 0.00 33.47 32.48 2ddi s TRP 22 CO 0.29 -0.37 -0.09 -2.00 0.96 0.00 0.00 176.95 175.75 2ddi s GLU 23 N 1.57 1.88 0.06 4.98 2.56 0.43 -4.98 118.70 125.20 2ddi s GLU 23 Ca 0.00 -0.83 -0.31 0.00 0.00 0.00 0.00 54.97 53.84 2ddi s GLU 23 Cb -0.13 -2.40 -0.07 0.00 2.00 0.00 0.00 34.13 33.53 2ddi s GLU 23 CO -0.05 -0.46 1.48 -1.25 -0.56 0.00 0.00 175.26 174.42 2ddi s PRO 24 N 1.42 4.26 0.40 4.30 0.04 -1.26 -1.00 135.00 143.17 2ddi s PRO 24 Ca -0.02 2.13 0.04 0.00 0.04 0.00 0.00 61.00 63.19 2ddi s PRO 24 Cb -0.17 -3.46 -0.02 0.00 0.04 0.00 0.00 34.50 30.89 2ddi s PRO 24 CO -0.08 -0.58 0.16 1.03 0.04 0.00 0.00 177.00 177.56 2ddi s ARG 25 N 2.02 1.91 0.04 4.56 1.81 -0.59 -4.92 118.95 123.77 2ddi s ARG 25 Ca 0.67 -2.16 0.08 0.00 -1.72 0.00 0.00 55.73 52.60 2ddi s ARG 25 Cb -0.36 -0.45 -0.03 0.00 -0.45 0.00 0.00 34.95 33.66 2ddi s ARG 25 CO 0.29 -0.52 -0.21 -1.58 -0.68 0.00 0.00 175.30 172.61 2ddi s TRP 26 N -3.25 2.47 0.00 -0.53 0.52 -0.54 -0.21 118.94 117.41 2ddi s TRP 26 Ca 0.26 -0.31 -0.03 0.00 0.02 0.00 0.00 56.10 56.04 2ddi s TRP 26 Cb 0.02 -1.45 -0.01 0.00 -1.15 0.00 0.00 33.47 30.89 2ddi s TRP 26 CO 0.17 0.19 0.05 0.00 0.02 0.00 0.00 176.95 177.38 2ddi s ALA 27 N -0.86 -0.10 0.18 0.98 0.00 -0.51 -0.01 121.76 121.43 2ddi s ALA 27 Ca 0.13 -0.27 -0.27 0.00 0.00 0.00 0.00 51.96 51.55 2ddi s ALA 27 Cb -0.10 0.08 -0.08 0.00 0.00 0.00 0.00 23.12 23.02 2ddi s ALA 27 CO 0.04 -0.15 0.83 -0.47 0.00 0.00 0.00 175.76 176.00 2ddi s TYR 28 N -1.14 3.92 -0.25 0.00 5.04 -1.26 -1.25 117.35 122.40 2ddi s TYR 28 Ca -0.12 1.71 0.00 0.00 -2.44 0.00 0.00 57.07 56.22 2ddi s TYR 28 Cb -0.07 -2.84 0.04 0.00 0.35 0.00 0.00 41.96 39.43 2ddi s TYR 28 CO 0.00 0.47 -0.08 -1.12 -1.34 0.00 0.00 175.55 173.48 2ddi s SER 29 N -1.03 4.30 0.31 4.32 0.01 0.29 -4.64 113.70 117.26 2ddi s SER 29 Ca 0.38 -1.06 0.07 0.00 1.31 0.00 0.00 55.95 56.65 2ddi s SER 29 Cb -0.24 -1.62 0.50 0.00 0.21 0.00 0.00 66.02 64.88 2ddi s SER 29 CO 0.28 -0.15 1.73 1.55 0.41 0.00 0.00 173.24 177.05 2ddi h PRO 30 N 7.93 0.23 0.00 12.44 0.13 -1.82 0.13 132.00 151.04 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 -0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2ddi h PRO 30 CO 0.54 0.58 0.00 -0.07 -0.23 0.00 0.00 178.00 178.82 2ddi h LEU 31 N 0.19 0.00 -0.71 1.56 3.38 -1.94 -1.01 115.31 116.79 2ddi h LEU 31 Ca 0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.99 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 0.00 -0.10 0.18 0.09 0.00 0.00 178.44 178.67 2ddi n LEU 32 N -2.29 0.96 -3.42 1.67 4.77 -0.81 -5.01 117.00 112.87 2ddi n LEU 32 Ca 0.00 -0.79 -0.23 0.00 -0.03 0.00 0.00 56.01 54.96 2ddi n LEU 32 Cb 0.12 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.20 2ddi n LEU 32 CO 0.14 0.20 -0.05 1.67 -1.33 0.00 0.00 177.39 178.03 2ddi n GLN 33 N -0.28 -2.93 -3.77 3.23 7.27 0.38 -4.90 117.38 116.38 2ddi n GLN 33 Ca 0.02 0.37 -0.06 0.00 0.07 0.00 0.00 57.00 57.40 2ddi n GLN 33 Cb 0.12 -5.03 -0.02 0.00 2.41 0.00 0.00 30.24 27.72 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 -6.06 1.51 0.13 3.69 0.74 -0.71 -4.95 119.66 114.02 2ddi s GLN 34 Ca 0.41 -0.81 -0.05 0.00 0.05 0.00 0.00 55.36 54.96 2ddi s GLN 34 Cb -0.22 0.53 -0.06 0.00 1.10 0.00 0.00 33.01 34.36 2ddi s GLN 34 CO 0.50 -0.69 0.37 0.00 -0.55 0.00 0.00 175.29 174.93 2ddi s HIS 36 N -1.63 0.39 0.82 0.00 -3.43 -0.38 -4.95 115.29 106.10 2ddi s HIS 36 Ca 0.40 -0.77 -0.11 0.00 -0.80 0.00 0.00 55.06 53.78 2ddi s HIS 36 Cb -0.12 -0.29 0.08 0.00 -1.43 0.00 0.00 32.58 30.82 2ddi s HIS 36 CO 0.24 -0.27 1.09 -1.25 -2.00 0.00 0.00 174.74 172.55 2ddi s PRO 37 N -2.57 1.90 0.28 -0.38 0.05 -1.26 -1.43 135.00 131.60 2ddi s PRO 37 Ca -0.05 1.04 -0.20 0.00 0.05 0.00 0.00 61.00 61.84 2ddi s PRO 37 Cb -0.02 -1.87 0.02 0.00 0.05 0.00 0.00 34.50 32.69 2ddi s PRO 37 CO -0.05 -1.86 0.70 -0.59 0.05 0.00 0.00 177.00 175.25 2ddi s PHE 38 N -2.92 -0.10 -0.36 0.56 -0.71 0.70 -4.82 117.98 110.33 2ddi s PHE 38 Ca 0.62 -0.36 -0.16 0.00 -1.04 0.00 0.00 56.93 55.98 2ddi s PHE 38 Cb -0.17 0.66 -0.00 0.00 -1.21 0.00 0.00 43.02 42.29 2ddi s PHE 38 CO 0.56 -1.24 0.41 0.08 -1.34 0.00 0.00 175.22 173.69 2ddi s VAL 39 N -3.81 5.12 0.21 -2.49 1.01 -1.26 -1.54 120.40 117.64 2ddi s VAL 39 Ca 0.13 -0.01 0.06 0.00 0.00 0.00 0.00 61.98 62.15 2ddi s VAL 39 Cb -0.05 -3.91 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 2ddi s VAL 39 CO 0.08 -0.20 0.20 -0.47 0.00 0.00 0.00 175.10 174.71 2ddi s TYR 40 N 2.12 3.19 -2.89 5.22 5.04 -0.17 -4.52 117.35 125.35 2ddi s TYR 40 Ca 0.13 -0.05 0.24 0.00 -2.44 0.00 0.00 57.07 54.95 2ddi s TYR 40 Cb -0.16 -1.48 0.34 0.00 0.35 0.00 0.00 41.96 41.00 2ddi s TYR 40 CO 0.12 0.51 1.34 0.41 -1.34 0.00 0.00 175.55 176.60 2ddi n GLY 41 N -0.90 0.90 3.08 8.97 0.00 0.68 -0.43 105.19 117.49 2ddi n GLY 41 Ca -0.08 -0.66 0.00 0.00 0.00 0.00 0.00 46.02 45.28 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 1.33 0.48 0.90 -0.02 0.00 -1.26 -4.35 105.19 102.28 2ddi n GLY 42 Ca 0.15 0.00 -0.07 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 -0.28 0.00 -3.64 0.00 4.71 -1.26 -4.87 120.64 115.30 2ddi n GLU 44 Ca -0.04 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.11 2ddi n GLU 44 Cb 0.16 -0.88 -0.01 0.00 -1.01 0.00 0.00 31.44 29.70 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 -0.24 -0.36 0.30 0.62 0.00 -1.26 -3.97 107.32 102.42 2ddi s GLY 45 Ca 0.54 0.72 0.01 0.00 0.00 0.00 0.00 44.72 45.99 2ddi s GLY 45 CO 0.38 0.16 0.41 0.70 0.00 0.00 0.00 173.10 174.76 2ddi n ASN 46 N -0.42 0.65 -0.01 1.64 4.13 -1.26 -5.02 115.26 114.97 2ddi n ASN 46 Ca -0.07 -1.52 0.14 0.00 1.68 0.00 0.00 54.58 54.81 2ddi n ASN 46 Cb 0.62 -0.26 0.69 0.00 -1.54 0.00 0.00 39.78 39.29 2ddi n ASN 46 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2ddi n GLY 47 N 1.76 -1.32 2.61 7.41 0.00 -1.26 -4.20 105.19 110.18 2ddi n GLY 47 Ca 0.07 -0.15 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 -1.33 5.72 -3.53 1.61 5.15 -1.26 -0.08 115.26 121.55 2ddi n ASN 48 Ca 0.12 -2.82 -0.15 0.00 -0.60 0.00 0.00 54.58 51.13 2ddi n ASN 48 Cb 0.28 -1.59 -0.12 0.00 -0.53 0.00 0.00 39.78 37.82 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 2.39 0.77 0.27 1.20 3.84 -1.25 -4.07 114.94 118.08 2ddi s ASN 49 Ca 0.53 0.17 0.09 0.00 0.21 0.00 0.00 52.86 53.86 2ddi s ASN 49 Cb 0.15 0.66 -0.05 0.00 -0.55 0.00 0.00 41.25 41.45 2ddi s ASN 49 CO -0.07 -0.29 -0.12 -0.36 -2.79 0.00 0.00 177.10 173.47 2ddi s PHE 50 N 2.41 2.03 -0.62 0.43 0.08 0.99 -0.68 117.98 122.61 2ddi s PHE 50 Ca 0.06 -0.54 0.23 0.00 0.12 0.00 0.00 56.93 56.80 2ddi s PHE 50 Cb -0.14 -1.03 0.11 0.00 -0.57 0.00 0.00 43.02 41.39 2ddi s PHE 50 CO -0.12 0.46 1.08 0.72 -0.10 0.00 0.00 175.22 177.26 2ddi n HIS 51 N -0.56 0.31 -3.72 0.36 8.25 -1.26 -1.46 115.22 117.13 2ddi n HIS 51 Ca -0.06 0.09 -0.03 0.00 -0.26 0.00 0.00 57.72 57.46 2ddi n HIS 51 Cb 0.62 -0.47 -0.01 0.00 1.12 0.00 0.00 29.99 31.24 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 -3.96 -0.18 0.16 0.41 1.04 -1.26 -4.87 113.70 105.04 2ddi s SER 52 Ca 0.04 -0.34 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 2ddi s SER 52 Cb 0.14 0.44 0.04 0.00 0.10 0.00 0.00 66.02 66.74 2ddi s SER 52 CO 0.79 -0.81 1.77 -0.09 0.98 0.00 0.00 173.24 175.88 2ddi h ARG 53 N 2.00 0.67 -0.07 4.02 9.65 -1.97 -2.79 114.38 125.88 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 -0.13 -0.02 0.00 -1.39 0.00 0.00 29.97 29.65 2ddi h ARG 53 CO 0.26 0.52 -0.19 1.49 2.80 0.00 0.00 179.97 184.84 2ddi h GLU 54 N 0.64 -0.18 -0.41 0.20 4.22 -1.98 -0.52 114.58 116.56 2ddi h GLU 54 Ca 0.17 0.01 0.03 0.00 0.08 0.00 0.00 59.36 59.65 2ddi h GLU 54 Cb 0.04 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2ddi h GLU 54 CO -0.03 -0.12 0.27 0.66 -2.18 0.00 0.00 179.01 177.61 2ddi h SER 55 N -0.19 0.39 -0.00 1.04 4.64 -1.93 0.35 113.55 117.85 2ddi h SER 55 Ca 0.01 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.33 2ddi h SER 55 Cb 0.23 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 62.23 2ddi h SER 55 CO -0.17 0.27 -0.00 0.00 -0.87 0.00 0.00 176.83 176.06 2ddi h GLU 57 N -0.57 0.31 -0.42 0.00 5.08 -0.69 -1.59 114.58 116.69 2ddi h GLU 57 Ca 0.00 -0.11 0.05 0.00 -1.00 0.00 0.00 59.36 58.30 2ddi h GLU 57 Cb 0.58 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.77 2ddi h GLU 57 CO 0.00 0.57 0.14 0.22 -1.00 0.00 0.00 179.01 178.94 2ddi h ASP 58 N 0.27 0.14 0.76 1.42 3.58 -0.28 -2.17 116.42 120.13 2ddi h ASP 58 Ca 0.04 0.05 -0.03 0.00 0.42 0.00 0.00 57.03 57.51 2ddi h ASP 58 Cb 0.65 0.04 0.00 0.00 1.72 0.00 0.00 39.33 41.74 2ddi h ASP 58 CO 0.05 0.11 -0.42 0.00 -2.88 0.00 0.00 179.24 176.10 2ddi h ALA 59 N 1.28 -1.11 -2.91 -0.78 0.00 -0.27 -3.39 119.26 112.07 2ddi h ALA 59 Ca 0.20 -0.23 -0.61 0.00 0.00 0.00 0.00 54.91 54.27 2ddi h ALA 59 Cb 0.19 0.49 -0.40 0.00 0.00 0.00 0.00 17.79 18.08 2ddi h ALA 59 CO -0.21 -1.13 -0.74 0.00 0.00 0.00 0.00 179.25 177.16 2ddi n PRO 61 N 3.09 -0.50 -2.66 0.00 -0.04 -0.82 -4.66 135.00 129.40 2ddi n PRO 61 Ca 0.15 -1.69 -0.22 0.00 -0.04 0.00 0.00 63.50 61.70 2ddi n PRO 61 Cb 0.37 -0.77 0.06 0.00 -0.04 0.00 0.00 33.50 33.11 2ddi n PRO 61 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 2ddi s VAL 62 N -2.71 2.49 0.05 0.52 1.01 -1.26 -4.99 120.40 115.51 2ddi s VAL 62 Ca 0.52 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 61.51 2ddi s VAL 62 Cb -0.02 -2.81 -0.07 0.00 0.00 0.00 0.00 36.38 33.48 2ddi s VAL 62 CO 0.36 0.00 1.55 -0.69 0.00 0.00 0.00 175.10 176.32 2ddi s VAL 63 N -2.85 3.27 0.31 2.92 1.01 -1.26 -4.97 120.40 118.83 2ddi s VAL 63 Ca 0.60 0.71 0.05 0.00 0.00 0.00 0.00 61.98 63.34 2ddi s VAL 63 Cb -0.09 -3.46 -0.06 0.00 0.00 0.00 0.00 36.38 32.78 2ddi s VAL 63 CO 0.40 0.00 0.01 -0.62 0.00 0.00 0.00 175.10 174.89 2ddi s ASP 64 N 2.15 2.67 0.00 3.32 2.15 -1.26 -5.07 116.67 120.62 2ddi s ASP 64 Ca 0.70 -1.30 0.20 0.00 0.43 0.00 0.00 52.55 52.58 2ddi s ASP 64 Cb -0.37 -0.15 0.53 0.00 -0.30 0.00 0.00 42.92 42.63 2ddi s ASP 64 CO 0.30 -0.48 1.44 1.41 -0.17 0.00 0.00 175.17 177.67 2ddi n HIS 65 N -0.67 0.79 0.15 -5.34 8.25 -1.26 -4.73 115.22 112.41 2ddi n HIS 65 Ca -0.04 -0.46 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2ddi n HIS 65 Cb 0.65 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.76 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 1.34 -3.04 -2.01 4.41 8.25 -1.26 -5.14 115.22 117.77 2ddi n HIS 66 Ca 0.21 0.78 -0.37 0.00 -0.26 0.00 0.00 57.72 58.08 2ddi n HIS 66 Cb 0.57 1.78 0.03 0.00 1.12 0.00 0.00 29.99 33.49 2ddi n HIS 66 CO 0.00 0.00 0.00 -1.58 0.64 0.00 0.00 176.34 175.40 2ddi s HIS 67 N -2.00 2.46 0.24 4.41 5.04 -1.26 -5.06 115.29 119.12 2ddi s HIS 67 Ca 0.00 1.49 -0.14 0.00 -1.54 0.00 0.00 55.06 54.86 2ddi s HIS 67 Cb 0.00 -3.53 0.00 0.00 0.04 0.00 0.00 32.58 29.09 2ddi s HIS 67 CO 0.00 -2.23 0.51 -1.58 -2.34 0.00 0.00 174.74 169.10 2ddi s HIS 68 N -1.52 0.22 0.00 3.88 2.46 -1.26 -4.75 115.29 114.32 2ddi s HIS 68 Ca 0.74 -0.60 0.00 0.00 0.47 0.00 0.00 55.06 55.67 2ddi s HIS 68 Cb -0.32 0.28 0.00 0.00 -0.13 0.00 0.00 32.58 32.40 2ddi s HIS 68 CO 0.37 -1.00 0.00 1.58 -2.47 0.00 0.00 174.74 173.21 2ddi n HIS 69 N -0.38 0.00 1.95 3.88 -0.00 -1.26 -5.01 115.22 114.40 2ddi n HIS 69 Ca -0.03 0.00 0.16 0.00 -0.00 0.00 0.00 57.72 57.85 2ddi n HIS 69 Cb 0.62 0.00 0.91 0.00 -0.00 0.00 0.00 29.99 31.52 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92