#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 0.27 0.62 0.00 -1.26 -4.95 120.51 115.19 2ddi n ALA 2 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 2ddi n ALA 2 Cb 0.00 0.00 0.76 0.00 0.00 0.00 0.00 19.45 20.21 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 -5.96 0.00 3.07 -1.93 -3.43 114.58 106.33 2ddi h GLU 3 Ca 0.00 0.00 -0.59 0.00 -0.50 0.00 0.00 59.36 58.27 2ddi h GLU 3 Cb 0.00 0.00 -0.11 0.00 -0.84 0.00 0.00 28.75 27.80 2ddi h GLU 3 CO 0.00 0.10 -0.60 0.00 -1.40 0.00 0.00 179.01 177.11 2ddi s ALA 4 N -4.12 3.25 0.56 3.43 0.00 -1.26 -5.05 121.76 118.58 2ddi s ALA 4 Ca -0.02 -2.02 0.33 0.00 0.00 0.00 0.00 51.96 50.24 2ddi s ALA 4 Cb 0.13 -0.31 1.88 0.00 0.00 0.00 0.00 23.12 24.81 2ddi s ALA 4 CO 0.56 0.01 2.24 0.93 0.00 0.00 0.00 175.76 179.51 2ddi h GLU 5 N 1.75 0.00 -4.93 0.00 3.07 -1.98 -3.43 114.58 109.06 2ddi h GLU 5 Ca -0.43 0.00 -0.41 0.00 -0.50 0.00 0.00 59.36 58.02 2ddi h GLU 5 Cb 1.25 0.00 -0.14 0.00 -0.84 0.00 0.00 28.75 29.02 2ddi h GLU 5 CO 0.69 0.03 -0.58 0.12 -1.40 0.00 0.00 179.01 177.87 2ddi s PHE 6 N -4.40 1.64 -0.33 4.33 5.36 -1.26 -4.81 117.98 118.51 2ddi s PHE 6 Ca -0.04 -1.26 -0.00 0.00 -0.96 0.00 0.00 56.93 54.66 2ddi s PHE 6 Cb 0.14 -0.95 0.13 0.00 -0.34 0.00 0.00 43.02 42.01 2ddi s PHE 6 CO 0.52 -0.39 0.24 0.99 -1.46 0.00 0.00 175.22 175.13 2ddi s THR 7 N -3.58 -0.12 0.90 0.12 2.01 -1.26 -4.42 115.64 109.29 2ddi s THR 7 Ca 0.35 -1.08 -0.12 0.00 0.31 0.00 0.00 61.69 61.16 2ddi s THR 7 Cb 0.06 -0.96 0.13 0.00 0.01 0.00 0.00 72.50 71.74 2ddi s THR 7 CO 0.16 -0.74 1.09 -0.62 -0.69 0.00 0.00 174.62 173.82 2ddi s ASP 8 N 1.66 3.43 0.25 3.53 2.15 -1.26 -4.75 116.67 121.68 2ddi s ASP 8 Ca 0.14 1.47 -0.06 0.00 0.43 0.00 0.00 52.55 54.53 2ddi s ASP 8 Cb -0.18 -2.15 0.47 0.00 -0.30 0.00 0.00 42.92 40.76 2ddi s ASP 8 CO -0.16 -2.66 1.63 0.00 -0.17 0.00 0.00 175.17 173.80 2ddi h ALA 9 N -1.57 0.82 0.00 3.66 0.00 -1.93 -0.35 119.26 119.89 2ddi h ALA 9 Ca -0.50 0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2ddi h ALA 9 Cb 1.29 0.44 -0.00 0.00 0.00 0.00 0.00 17.79 19.52 2ddi h ALA 9 CO 0.55 -0.43 -0.13 0.00 0.00 0.00 0.00 179.25 179.23 2ddi h VAL 11 N 0.00 1.32 -2.53 0.00 2.07 -1.38 -3.39 116.25 112.35 2ddi h VAL 11 Ca -0.00 -2.01 -0.53 0.00 0.82 0.00 0.00 66.70 64.98 2ddi h VAL 11 Cb 0.26 1.99 0.02 0.00 -1.52 0.00 0.00 31.29 32.04 2ddi h VAL 11 CO 0.02 0.62 1.12 -0.22 0.02 0.00 0.00 177.57 179.14 2ddi s LEU 12 N -8.25 4.39 0.68 2.57 2.96 0.19 -4.55 118.68 116.66 2ddi s LEU 12 Ca -0.08 2.55 -0.17 0.00 -0.22 0.00 0.00 54.13 56.20 2ddi s LEU 12 Cb 0.10 -3.55 -0.07 0.00 0.50 0.00 0.00 46.19 43.17 2ddi s LEU 12 CO 0.87 -0.98 0.38 -2.65 -1.32 0.00 0.00 176.35 172.66 2ddi n PRO 13 N 6.65 0.30 -2.36 0.98 -0.02 -1.26 -4.75 135.00 134.54 2ddi n PRO 13 Ca 0.18 0.13 -0.33 0.00 -2.02 0.00 0.00 63.50 61.46 2ddi n PRO 13 Cb 0.41 -1.66 -0.03 0.00 -0.02 0.00 0.00 33.50 32.20 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 2.94 0.02 3.55 0.00 -1.26 -4.92 121.76 120.21 2ddi s ALA 14 Ca 0.64 0.32 0.03 0.00 0.00 0.00 0.00 51.96 52.94 2ddi s ALA 14 Cb -0.38 -3.17 -0.01 0.00 0.00 0.00 0.00 23.12 19.56 2ddi s ALA 14 CO 0.59 -0.37 -0.09 0.08 0.00 0.00 0.00 175.76 175.97 2ddi s VAL 15 N -2.45 0.69 -0.09 0.00 1.01 -1.26 -5.05 120.40 113.26 2ddi s VAL 15 Ca 0.62 -0.70 -0.21 0.00 0.00 0.00 0.00 61.98 61.69 2ddi s VAL 15 Cb -0.12 -0.65 -0.17 0.00 0.00 0.00 0.00 36.38 35.44 2ddi s VAL 15 CO 0.30 -0.04 0.73 1.56 0.00 0.00 0.00 175.10 177.65 2ddi h GLN 16 N 5.28 -0.09 0.00 2.72 4.20 -1.91 -3.40 115.11 121.91 2ddi h GLN 16 Ca -0.33 0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.38 2ddi h GLN 16 Cb 1.19 0.02 0.00 0.00 0.30 0.00 0.00 27.48 28.99 2ddi h GLN 16 CO 0.46 0.46 0.00 0.41 -0.67 0.00 0.00 178.83 179.49 2ddi n GLY 17 N 1.09 1.61 0.11 3.46 0.00 -1.25 -0.40 105.19 109.81 2ddi n GLY 17 Ca -0.07 -2.25 -0.02 0.00 0.00 0.00 0.00 46.02 43.68 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 -7.35 1.61 0.13 -1.91 -3.47 132.00 121.01 2ddi h PRO 18 Ca 0.00 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.62 2ddi h PRO 18 Cb 0.00 0.00 0.06 0.00 0.13 0.00 0.00 31.00 31.19 2ddi h PRO 18 CO 0.00 0.72 0.41 0.00 -0.23 0.00 0.00 178.00 178.90 2ddi n ARG 20 N -2.79 2.23 -1.94 0.00 3.00 -1.26 -4.69 116.66 111.20 2ddi n ARG 20 Ca 0.06 -2.04 -0.33 0.00 -0.01 0.00 0.00 57.85 55.53 2ddi n ARG 20 Cb 0.54 -1.44 0.02 0.00 0.00 0.00 0.00 32.46 31.58 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 -1.49 2.10 -0.03 -0.13 0.00 -1.26 -5.05 107.32 101.47 2ddi s GLY 21 Ca 0.32 0.41 0.01 0.00 0.00 0.00 0.00 44.72 45.46 2ddi s GLY 21 CO 0.28 0.74 -0.02 -0.98 0.00 0.00 0.00 173.10 173.11 2ddi s TRP 22 N -2.46 0.44 -0.09 1.90 0.23 -1.26 -4.20 118.94 113.50 2ddi s TRP 22 Ca 0.64 -0.07 -0.02 0.00 -2.03 0.00 0.00 56.10 54.62 2ddi s TRP 22 Cb -0.17 -0.43 0.03 0.00 0.03 0.00 0.00 33.47 32.94 2ddi s TRP 22 CO 0.39 -0.11 0.01 -2.00 0.96 0.00 0.00 176.95 176.20 2ddi s GLU 23 N 0.68 0.60 0.03 4.98 2.56 -0.11 -4.96 118.70 122.47 2ddi s GLU 23 Ca -0.07 0.05 -0.30 0.00 0.00 0.00 0.00 54.97 54.65 2ddi s GLU 23 Cb -0.11 -1.10 -0.07 0.00 2.00 0.00 0.00 34.13 34.85 2ddi s GLU 23 CO -0.01 -0.34 1.54 -1.25 -0.56 0.00 0.00 175.26 174.64 2ddi s PRO 24 N 1.97 4.23 0.45 4.30 0.04 -1.26 -0.78 135.00 143.94 2ddi s PRO 24 Ca 0.04 2.16 0.03 0.00 0.04 0.00 0.00 61.00 63.28 2ddi s PRO 24 Cb -0.13 -3.62 -0.01 0.00 0.04 0.00 0.00 34.50 30.78 2ddi s PRO 24 CO -0.06 -0.68 0.12 1.03 0.04 0.00 0.00 177.00 177.46 2ddi s ARG 25 N 2.66 2.05 0.03 4.56 1.81 -0.34 -4.88 118.95 124.84 2ddi s ARG 25 Ca 0.69 -2.28 0.05 0.00 -1.72 0.00 0.00 55.73 52.47 2ddi s ARG 25 Cb -0.35 -0.73 -0.02 0.00 -0.45 0.00 0.00 34.95 33.40 2ddi s ARG 25 CO 0.29 -0.52 -0.13 -1.58 -0.68 0.00 0.00 175.30 172.68 2ddi s TRP 26 N -3.12 1.18 0.01 -0.53 0.52 0.55 -0.34 118.94 117.21 2ddi s TRP 26 Ca 0.18 -0.32 -0.03 0.00 0.02 0.00 0.00 56.10 55.94 2ddi s TRP 26 Cb 0.01 -0.71 -0.01 0.00 -1.15 0.00 0.00 33.47 31.61 2ddi s TRP 26 CO 0.12 0.02 0.04 0.00 0.02 0.00 0.00 176.95 177.16 2ddi s ALA 27 N -0.74 -0.08 0.16 0.98 0.00 -0.41 -0.50 121.76 121.17 2ddi s ALA 27 Ca 0.02 -0.30 -0.27 0.00 0.00 0.00 0.00 51.96 51.41 2ddi s ALA 27 Cb -0.07 0.09 -0.08 0.00 0.00 0.00 0.00 23.12 23.06 2ddi s ALA 27 CO 0.01 -0.16 0.85 -0.47 0.00 0.00 0.00 175.76 175.99 2ddi s TYR 28 N -1.18 3.90 -0.25 0.00 6.14 -1.26 -1.15 117.35 123.55 2ddi s TYR 28 Ca -0.13 1.72 0.00 0.00 0.64 0.00 0.00 57.07 59.30 2ddi s TYR 28 Cb -0.08 -2.88 0.04 0.00 0.42 0.00 0.00 41.96 39.46 2ddi s TYR 28 CO 0.00 0.43 -0.09 -1.12 0.64 0.00 0.00 175.55 175.40 2ddi s SER 29 N -0.86 4.21 0.27 4.32 0.01 0.31 -4.73 113.70 117.23 2ddi s SER 29 Ca 0.39 -1.02 0.02 0.00 1.31 0.00 0.00 55.95 56.65 2ddi s SER 29 Cb -0.24 -1.61 0.37 0.00 0.21 0.00 0.00 66.02 64.76 2ddi s SER 29 CO 0.28 -0.14 1.70 1.55 0.41 0.00 0.00 173.24 177.04 2ddi h PRO 30 N 7.93 0.49 0.00 12.44 0.13 -1.80 0.17 132.00 151.36 2ddi h PRO 30 Ca -0.30 -0.20 -0.01 0.00 -0.87 0.00 0.00 66.00 64.62 2ddi h PRO 30 Cb 1.09 -0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.20 2ddi h PRO 30 CO 0.55 0.73 -0.04 -0.07 -0.23 0.00 0.00 178.00 178.94 2ddi h LEU 31 N 0.43 0.00 -0.60 1.56 3.38 -1.94 0.02 115.31 118.16 2ddi h LEU 31 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 2ddi h LEU 31 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 2ddi h LEU 31 CO 0.06 0.04 -0.58 0.18 0.09 0.00 0.00 178.44 178.23 2ddi n LEU 32 N -3.55 1.49 -4.37 1.67 4.77 -0.93 -4.98 117.00 111.09 2ddi n LEU 32 Ca -0.02 -0.67 -0.39 0.00 -0.03 0.00 0.00 56.01 54.90 2ddi n LEU 32 Cb 0.15 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.19 2ddi n LEU 32 CO 0.27 0.30 -0.11 1.67 -1.33 0.00 0.00 177.39 178.19 2ddi n GLN 33 N -0.56 -1.96 -3.78 3.23 7.27 0.51 -4.89 117.38 117.20 2ddi n GLN 33 Ca 0.06 0.26 -0.06 0.00 0.07 0.00 0.00 57.00 57.33 2ddi n GLN 33 Cb 0.36 -4.86 -0.02 0.00 2.41 0.00 0.00 30.24 28.14 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 -7.09 1.49 0.05 3.69 0.74 -0.71 -5.00 119.66 112.84 2ddi s GLN 34 Ca 0.74 -0.80 -0.02 0.00 0.05 0.00 0.00 55.36 55.33 2ddi s GLN 34 Cb -0.42 0.52 -0.04 0.00 1.10 0.00 0.00 33.01 34.17 2ddi s GLN 34 CO 0.98 -0.68 0.24 0.00 -0.55 0.00 0.00 175.29 175.28 2ddi s HIS 36 N -1.46 0.87 0.93 0.00 -3.43 -0.30 -4.96 115.29 106.94 2ddi s HIS 36 Ca 0.33 -0.62 -0.12 0.00 -0.80 0.00 0.00 55.06 53.85 2ddi s HIS 36 Cb -0.13 -0.50 0.15 0.00 -1.43 0.00 0.00 32.58 30.67 2ddi s HIS 36 CO 0.23 -0.06 1.12 -1.25 -2.00 0.00 0.00 174.74 172.78 2ddi s PRO 37 N -2.34 1.01 0.08 -0.38 0.04 -1.26 -1.29 135.00 130.86 2ddi s PRO 37 Ca -0.01 0.43 -0.26 0.00 0.04 0.00 0.00 61.00 61.21 2ddi s PRO 37 Cb -0.05 -1.81 0.08 0.00 0.04 0.00 0.00 34.50 32.76 2ddi s PRO 37 CO -0.00 -2.32 0.74 -0.59 0.04 0.00 0.00 177.00 174.86 2ddi s PHE 38 N -3.14 -0.45 -0.38 0.56 -0.71 0.54 -4.80 117.98 109.60 2ddi s PHE 38 Ca 0.64 0.27 -0.21 0.00 -1.04 0.00 0.00 56.93 56.59 2ddi s PHE 38 Cb -0.16 0.55 0.01 0.00 -1.21 0.00 0.00 43.02 42.21 2ddi s PHE 38 CO 0.55 -0.71 0.67 0.08 -1.34 0.00 0.00 175.22 174.47 2ddi s VAL 39 N -3.46 4.83 0.25 -2.49 1.01 -1.26 -1.19 120.40 118.10 2ddi s VAL 39 Ca 0.03 0.53 0.00 0.00 0.00 0.00 0.00 61.98 62.55 2ddi s VAL 39 Cb -0.01 -4.14 -0.04 0.00 0.00 0.00 0.00 36.38 32.19 2ddi s VAL 39 CO -0.11 -0.42 0.44 -0.47 0.00 0.00 0.00 175.10 174.54 2ddi s TYR 40 N 2.84 3.48 -2.57 5.22 5.04 0.04 -4.63 117.35 126.77 2ddi s TYR 40 Ca 0.26 0.31 0.24 0.00 -2.44 0.00 0.00 57.07 55.44 2ddi s TYR 40 Cb -0.14 -1.84 0.65 0.00 0.35 0.00 0.00 41.96 40.98 2ddi s TYR 40 CO 0.17 0.31 1.51 0.41 -1.34 0.00 0.00 175.55 176.60 2ddi n GLY 41 N -1.10 0.62 4.09 8.97 0.00 0.46 -0.94 105.19 117.30 2ddi n GLY 41 Ca -0.05 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 1.27 1.11 1.12 -0.02 0.00 -1.26 -4.25 105.19 103.15 2ddi n GLY 42 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 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 -1.70 0.00 -1.05 0.00 4.71 -1.26 -4.85 120.64 116.49 2ddi n GLU 44 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.20 2ddi n GLU 44 Cb 0.17 -0.89 0.00 0.00 -1.01 0.00 0.00 31.44 29.71 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 1.16 1.54 3.99 0.62 0.00 -1.26 -3.85 105.19 107.39 2ddi n GLY 45 Ca 0.13 -0.87 -0.22 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.25 4.81 0.23 1.61 0.01 -1.26 -5.00 114.94 115.07 2ddi s ASN 46 Ca 0.00 -0.28 0.26 0.00 -0.71 0.00 0.00 52.86 52.13 2ddi s ASN 46 Cb 0.00 -0.33 0.77 0.00 0.41 0.00 0.00 41.25 42.10 2ddi s ASN 46 CO 0.00 -1.51 1.76 1.23 -1.51 0.00 0.00 177.10 177.07 2ddi h GLY 47 N -0.21 0.00 -7.52 0.66 0.00 -1.94 -3.38 103.07 90.68 2ddi h GLY 47 Ca -0.38 0.00 -0.56 0.00 0.00 0.00 0.00 47.33 46.39 2ddi h GLY 47 CO 0.45 0.00 1.90 -2.01 0.00 0.00 0.00 176.54 176.88 2ddi n ASN 48 N -2.33 4.12 -3.48 0.19 2.85 -1.26 -4.83 115.26 110.52 2ddi n ASN 48 Ca 0.05 -2.83 -0.12 0.00 -0.11 0.00 0.00 54.58 51.58 2ddi n ASN 48 Cb 0.44 -1.71 -0.10 0.00 1.24 0.00 0.00 39.78 39.65 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 4.94 0.46 0.19 1.20 3.84 -1.26 -4.61 114.94 119.70 2ddi s ASN 49 Ca 0.58 0.29 0.08 0.00 0.21 0.00 0.00 52.86 54.03 2ddi s ASN 49 Cb 0.04 0.90 -0.04 0.00 -0.55 0.00 0.00 41.25 41.60 2ddi s ASN 49 CO 0.09 -0.29 -0.16 -0.36 -2.79 0.00 0.00 177.10 173.60 2ddi s PHE 50 N 2.48 1.74 -0.91 0.43 0.08 0.34 -4.94 117.98 117.20 2ddi s PHE 50 Ca 0.07 -0.53 0.23 0.00 0.12 0.00 0.00 56.93 56.83 2ddi s PHE 50 Cb -0.14 -0.83 0.18 0.00 -0.57 0.00 0.00 43.02 41.66 2ddi s PHE 50 CO -0.13 0.34 1.17 0.72 -0.10 0.00 0.00 175.22 177.22 2ddi n HIS 51 N -0.09 0.06 -3.81 0.36 8.25 -1.26 -0.33 115.22 118.39 2ddi n HIS 51 Ca -0.10 0.02 -0.09 0.00 -0.26 0.00 0.00 57.72 57.28 2ddi n HIS 51 Cb 0.59 -0.22 -0.06 0.00 1.12 0.00 0.00 29.99 31.42 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 -3.21 0.02 0.08 0.41 1.04 -1.26 -4.77 113.70 106.01 2ddi s SER 52 Ca 0.08 -0.59 -0.24 0.00 0.48 0.00 0.00 55.95 55.68 2ddi s SER 52 Cb 0.16 0.39 -0.16 0.00 0.10 0.00 0.00 66.02 66.51 2ddi s SER 52 CO 0.77 -0.78 1.70 -0.09 0.98 0.00 0.00 173.24 175.81 2ddi h ARG 53 N 2.62 -0.10 -0.12 4.02 9.65 -1.97 -2.79 114.38 125.70 2ddi h ARG 53 Ca -0.34 0.01 0.01 0.00 -1.10 0.00 0.00 59.98 58.57 2ddi h ARG 53 Cb 1.22 0.02 -0.03 0.00 -1.39 0.00 0.00 29.97 29.79 2ddi h ARG 53 CO 0.53 -0.04 -0.18 1.49 2.80 0.00 0.00 179.97 184.57 2ddi h GLU 54 N -0.13 -0.14 -0.46 0.20 4.81 -1.98 -1.12 114.58 115.75 2ddi h GLU 54 Ca -0.01 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.28 2ddi h GLU 54 Cb 0.11 0.03 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2ddi h GLU 54 CO 0.02 -0.09 0.31 0.66 -0.73 0.00 0.00 179.01 179.17 2ddi h SER 55 N -0.14 0.38 0.02 1.04 4.64 -1.97 0.72 113.55 118.24 2ddi h SER 55 Ca 0.02 -0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.34 2ddi h SER 55 Cb 0.20 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.21 2ddi h SER 55 CO -0.19 0.25 -0.01 0.00 -0.87 0.00 0.00 176.83 176.02 2ddi h GLU 57 N -0.51 0.31 0.00 0.00 5.08 -0.63 -1.60 114.58 117.22 2ddi h GLU 57 Ca -0.00 -0.15 -0.08 0.00 -1.00 0.00 0.00 59.36 58.13 2ddi h GLU 57 Cb 0.48 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 2ddi h GLU 57 CO 0.01 0.66 -0.39 0.22 -1.00 0.00 0.00 179.01 178.51 2ddi h ASP 58 N 0.26 0.00 -0.12 1.42 3.58 -0.90 -1.64 116.42 119.03 2ddi h ASP 58 Ca 0.02 0.00 -0.12 0.00 0.42 0.00 0.00 57.03 57.35 2ddi h ASP 58 Cb 0.82 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.87 2ddi h ASP 58 CO 0.07 0.39 -0.40 0.00 -2.88 0.00 0.00 179.24 176.42 2ddi h ALA 59 N 1.61 0.21 -2.68 -0.78 0.00 -0.27 -3.37 119.26 113.98 2ddi h ALA 59 Ca -0.00 -0.46 -0.61 0.00 0.00 0.00 0.00 54.91 53.84 2ddi h ALA 59 Cb 0.89 -0.02 -0.41 0.00 0.00 0.00 0.00 17.79 18.24 2ddi h ALA 59 CO 0.05 0.31 -0.64 0.00 0.00 0.00 0.00 179.25 178.97 2ddi s PRO 61 N -1.64 0.23 0.19 0.00 0.04 -0.62 -4.76 135.00 128.44 2ddi s PRO 61 Ca 0.31 -0.47 0.00 0.00 0.04 0.00 0.00 61.00 60.88 2ddi s PRO 61 Cb 0.04 -1.80 -0.04 0.00 0.04 0.00 0.00 34.50 32.73 2ddi s PRO 61 CO -0.12 -2.68 0.07 0.08 0.04 0.00 0.00 177.00 174.38 2ddi s VAL 62 N -3.86 0.34 0.33 -0.36 1.01 -1.26 -5.10 120.40 111.51 2ddi s VAL 62 Ca 0.76 -1.97 -0.29 0.00 0.00 0.00 0.00 61.98 60.48 2ddi s VAL 62 Cb -0.03 -2.30 -0.11 0.00 0.00 0.00 0.00 36.38 33.94 2ddi s VAL 62 CO 0.54 -0.26 1.54 -0.69 0.00 0.00 0.00 175.10 176.23 2ddi s VAL 63 N -3.90 2.06 -0.24 2.92 1.01 -1.26 -4.78 120.40 116.22 2ddi s VAL 63 Ca 0.30 0.06 -0.34 0.00 0.00 0.00 0.00 61.98 62.00 2ddi s VAL 63 Cb 0.07 -3.04 -0.11 0.00 0.00 0.00 0.00 36.38 33.30 2ddi s VAL 63 CO 0.07 0.01 2.04 -0.67 0.00 0.00 0.00 175.10 176.56 2ddi n ASP 64 N 1.36 2.76 0.24 3.32 2.03 -1.26 -4.85 116.55 120.15 2ddi n ASP 64 Ca 0.05 0.64 0.16 0.00 0.52 0.00 0.00 54.79 56.16 2ddi n ASP 64 Cb 0.38 -1.32 0.61 0.00 -0.72 0.00 0.00 41.12 40.07 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 11.13 0.00 -4.11 -0.67 3.86 -2.04 -3.44 115.15 119.87 2ddi h HIS 65 Ca -0.38 0.00 -0.53 0.00 -1.16 0.00 0.00 60.37 58.30 2ddi h HIS 65 Cb 1.29 0.00 0.12 0.00 1.06 0.00 0.00 27.41 29.89 2ddi h HIS 65 CO 0.91 0.00 0.46 -1.01 0.86 0.00 0.00 177.93 179.15 2ddi s HIS 66 N -3.56 2.33 -1.43 2.45 3.76 -1.26 -4.87 115.29 112.71 2ddi s HIS 66 Ca 0.02 1.53 -0.14 0.00 -0.15 0.00 0.00 55.06 56.32 2ddi s HIS 66 Cb 0.09 -3.48 0.05 0.00 1.11 0.00 0.00 32.58 30.34 2ddi s HIS 66 CO 0.52 -2.31 2.16 0.72 -0.85 0.00 0.00 174.74 174.98 2ddi n HIS 67 N -1.81 3.67 -1.48 1.40 8.25 -1.26 -4.95 115.22 119.03 2ddi n HIS 67 Ca 0.14 -2.96 -0.34 0.00 -0.26 0.00 0.00 57.72 54.30 2ddi n HIS 67 Cb 0.50 -2.55 0.08 0.00 1.12 0.00 0.00 29.99 29.14 2ddi n HIS 67 CO 0.00 0.00 0.00 -3.38 0.64 0.00 0.00 176.34 173.60 2ddi s HIS 68 N 3.25 2.18 0.75 4.41 -3.43 -1.26 -5.02 115.29 116.17 2ddi s HIS 68 Ca 0.48 1.60 -0.12 0.00 -0.80 0.00 0.00 55.06 56.21 2ddi s HIS 68 Cb 0.13 -3.38 0.05 0.00 -1.43 0.00 0.00 32.58 27.94 2ddi s HIS 68 CO -0.07 -2.37 1.12 -3.38 -2.00 0.00 0.00 174.74 168.04 2ddi s HIS 69 N -2.11 2.40 -2.00 0.38 -3.43 -1.26 -5.20 115.29 104.08 2ddi s HIS 69 Ca 0.72 1.59 0.11 0.00 -0.80 0.00 0.00 55.06 56.68 2ddi s HIS 69 Cb -0.27 -3.17 0.65 0.00 -1.43 0.00 0.00 32.58 28.37 2ddi s HIS 69 CO 0.45 -1.99 1.09 1.58 -2.00 0.00 0.00 174.74 173.87