#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 -0.76 0.00 4.31 0.00 -1.26 -5.02 121.76 119.03 2ddi s ALA 2 Ca 0.00 -0.69 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2ddi s ALA 2 Cb 0.00 0.75 0.00 0.00 0.00 0.00 0.00 23.12 23.87 2ddi s ALA 2 CO 0.00 -0.99 0.00 0.39 0.00 0.00 0.00 175.76 175.16 2ddi n GLU 3 N -0.51 0.00 0.00 0.00 1.02 -1.26 -4.95 120.64 114.94 2ddi n GLU 3 Ca -0.07 0.00 0.02 0.00 -0.02 0.00 0.00 57.16 57.09 2ddi n GLU 3 Cb 0.60 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 32.01 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 -2.29 2.49 0.04 0.62 0.00 -1.26 -4.82 120.51 115.28 2ddi n ALA 4 Ca 0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 53.44 53.03 2ddi n ALA 4 Cb 0.00 -0.14 -0.08 0.00 0.00 0.00 0.00 19.45 19.23 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 0.33 -0.05 -2.86 0.00 3.07 -1.99 -3.47 114.58 109.61 2ddi h GLU 5 Ca 0.00 0.00 0.04 0.00 -0.50 0.00 0.00 59.36 58.90 2ddi h GLU 5 Cb 0.12 0.01 -0.10 0.00 -0.84 0.00 0.00 28.75 27.94 2ddi h GLU 5 CO 0.00 0.14 0.27 0.12 -1.40 0.00 0.00 179.01 178.14 2ddi s PHE 6 N -5.48 -0.38 -0.69 4.33 5.36 -1.26 -5.10 117.98 114.76 2ddi s PHE 6 Ca -0.14 0.10 -0.26 0.00 -0.96 0.00 0.00 56.93 55.67 2ddi s PHE 6 Cb 0.04 0.61 0.04 0.00 -0.34 0.00 0.00 43.02 43.37 2ddi s PHE 6 CO 0.66 -0.92 1.16 0.99 -1.46 0.00 0.00 175.22 175.64 2ddi s THR 7 N -3.68 3.97 0.43 0.12 2.01 -1.26 -4.74 115.64 112.49 2ddi s THR 7 Ca 0.05 0.23 -0.25 0.00 0.31 0.00 0.00 61.69 62.03 2ddi s THR 7 Cb -0.02 -4.80 -0.09 0.00 0.01 0.00 0.00 72.50 67.59 2ddi s THR 7 CO -0.05 -1.63 1.31 -0.67 -0.69 0.00 0.00 174.62 172.88 2ddi n ASP 8 N 8.66 2.74 -0.12 3.53 -0.08 -1.26 -4.88 116.55 125.15 2ddi n ASP 8 Ca 0.02 1.11 0.24 0.00 -1.51 0.00 0.00 54.79 54.64 2ddi n ASP 8 Cb 0.48 -1.53 0.69 0.00 2.34 0.00 0.00 41.12 43.10 2ddi n ASP 8 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2ddi h ALA 9 N 2.12 2.64 0.00 -1.67 0.00 -1.94 -1.68 119.26 118.72 2ddi h ALA 9 Ca -0.49 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 2ddi h ALA 9 Cb 1.29 0.04 -0.00 0.00 0.00 0.00 0.00 17.79 19.12 2ddi h ALA 9 CO 0.60 -0.85 -0.01 0.00 0.00 0.00 0.00 179.25 178.98 2ddi h VAL 11 N 0.00 1.39 -3.13 0.00 2.07 -1.59 -3.39 116.25 111.59 2ddi h VAL 11 Ca -0.00 -2.04 -0.54 0.00 0.82 0.00 0.00 66.70 64.94 2ddi h VAL 11 Cb 0.12 2.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.93 2ddi h VAL 11 CO 0.00 0.60 0.62 -0.22 0.02 0.00 0.00 177.57 178.60 2ddi s LEU 12 N -7.90 4.34 0.98 2.57 2.96 -0.05 -4.70 118.68 116.89 2ddi s LEU 12 Ca -0.04 1.98 -0.12 0.00 -0.22 0.00 0.00 54.13 55.73 2ddi s LEU 12 Cb 0.12 -3.57 0.18 0.00 0.50 0.00 0.00 46.19 43.42 2ddi s LEU 12 CO 0.80 -0.52 1.08 -2.16 -1.32 0.00 0.00 176.35 174.23 2ddi s PRO 13 N 1.46 0.53 0.53 0.98 0.04 -1.26 -4.70 135.00 132.58 2ddi s PRO 13 Ca 0.59 0.87 0.01 0.00 0.04 0.00 0.00 61.00 62.51 2ddi s PRO 13 Cb -0.29 -1.72 0.02 0.00 0.04 0.00 0.00 34.50 32.56 2ddi s PRO 13 CO 0.27 -2.76 0.76 0.00 0.04 0.00 0.00 177.00 175.31 2ddi s ALA 14 N -2.78 3.83 0.02 8.56 0.00 -1.26 -4.79 121.76 125.33 2ddi s ALA 14 Ca 0.65 -1.23 -0.05 0.00 0.00 0.00 0.00 51.96 51.33 2ddi s ALA 14 Cb -0.20 -2.12 -0.01 0.00 0.00 0.00 0.00 23.12 20.79 2ddi s ALA 14 CO 0.59 -0.67 0.08 0.08 0.00 0.00 0.00 175.76 175.84 2ddi s VAL 15 N -2.73 0.11 -0.08 0.00 1.01 -1.26 -4.97 120.40 112.47 2ddi s VAL 15 Ca 0.55 -0.87 0.14 0.00 0.00 0.00 0.00 61.98 61.80 2ddi s VAL 15 Cb -0.10 -0.52 -0.24 0.00 0.00 0.00 0.00 36.38 35.52 2ddi s VAL 15 CO 0.39 -0.48 0.51 0.00 0.00 0.00 0.00 175.10 175.52 2ddi n GLN 16 N 1.29 0.65 0.00 2.72 6.02 -1.26 -4.70 117.38 122.10 2ddi n GLN 16 Ca -0.22 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 2ddi n GLN 16 Cb 0.56 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.10 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 1.61 -1.30 0.24 1.08 0.00 -1.10 -2.02 105.19 103.70 2ddi n GLY 17 Ca -0.21 -1.57 0.16 0.00 0.00 0.00 0.00 46.02 44.40 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 -7.31 1.61 0.13 -1.92 -3.46 132.00 121.05 2ddi h PRO 18 Ca 0.00 0.00 -0.50 0.00 -0.87 0.00 0.00 66.00 64.63 2ddi h PRO 18 Cb 0.00 0.00 0.15 0.00 0.13 0.00 0.00 31.00 31.28 2ddi h PRO 18 CO 0.00 0.00 0.27 0.00 -0.23 0.00 0.00 178.00 178.04 2ddi n ARG 20 N -3.80 1.07 -2.70 0.00 3.00 -1.26 -4.92 116.66 108.06 2ddi n ARG 20 Ca 0.09 -1.29 -0.32 0.00 -0.01 0.00 0.00 57.85 56.32 2ddi n ARG 20 Cb 0.53 -1.16 -0.04 0.00 0.00 0.00 0.00 32.46 31.79 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 -0.77 2.11 -0.30 -0.13 0.00 -1.26 -5.05 107.32 101.92 2ddi s GLY 21 Ca 0.12 0.08 0.01 0.00 0.00 0.00 0.00 44.72 44.93 2ddi s GLY 21 CO 0.10 0.32 0.04 -0.98 0.00 0.00 0.00 173.10 172.57 2ddi s TRP 22 N -2.40 2.64 -0.37 1.90 0.23 -1.26 -4.28 118.94 115.41 2ddi s TRP 22 Ca 0.56 -2.19 -0.17 0.00 -2.03 0.00 0.00 56.10 52.27 2ddi s TRP 22 Cb -0.10 -2.10 0.00 0.00 0.03 0.00 0.00 33.47 31.30 2ddi s TRP 22 CO 0.27 -0.87 0.46 -2.00 0.96 0.00 0.00 176.95 175.77 2ddi s GLU 23 N 1.30 3.49 0.00 4.98 2.56 0.17 -4.92 118.70 126.27 2ddi s GLU 23 Ca 0.05 -0.36 -0.30 0.00 0.00 0.00 0.00 54.97 54.36 2ddi s GLU 23 Cb -0.18 -3.85 -0.06 0.00 2.00 0.00 0.00 34.13 32.05 2ddi s GLU 23 CO -0.13 -0.67 1.41 -1.25 -0.56 0.00 0.00 175.26 174.06 2ddi s PRO 24 N 2.26 4.28 0.33 4.30 0.04 -1.26 -0.81 135.00 144.15 2ddi s PRO 24 Ca 0.16 1.98 0.04 0.00 0.04 0.00 0.00 61.00 63.21 2ddi s PRO 24 Cb -0.16 -3.57 -0.01 0.00 0.04 0.00 0.00 34.50 30.80 2ddi s PRO 24 CO 0.13 -0.58 0.13 0.54 0.04 0.00 0.00 177.00 177.26 2ddi n ARG 25 N 5.37 0.62 -4.71 4.56 5.12 -0.54 -4.94 116.66 122.13 2ddi n ARG 25 Ca 0.13 -2.86 -0.25 0.00 -1.93 0.00 0.00 57.85 52.95 2ddi n ARG 25 Cb 0.43 1.61 -0.14 0.00 -1.16 0.00 0.00 32.46 33.20 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 -2.84 1.72 -0.01 -1.55 0.52 -0.41 -0.13 118.94 116.23 2ddi s TRP 26 Ca 0.18 -0.35 -0.04 0.00 0.02 0.00 0.00 56.10 55.91 2ddi s TRP 26 Cb 0.01 -1.05 0.00 0.00 -1.15 0.00 0.00 33.47 31.28 2ddi s TRP 26 CO 0.13 0.04 0.09 0.00 0.02 0.00 0.00 176.95 177.23 2ddi s ALA 27 N -0.68 -0.20 0.19 0.98 0.00 -0.52 -0.06 121.76 121.46 2ddi s ALA 27 Ca 0.07 -0.01 -0.30 0.00 0.00 0.00 0.00 51.96 51.71 2ddi s ALA 27 Cb -0.08 -0.02 -0.08 0.00 0.00 0.00 0.00 23.12 22.94 2ddi s ALA 27 CO 0.01 -0.12 1.01 -0.47 0.00 0.00 0.00 175.76 176.19 2ddi s TYR 28 N -0.69 3.78 -0.25 0.00 5.04 -1.26 -1.43 117.35 122.54 2ddi s TYR 28 Ca -0.08 1.77 0.00 0.00 -2.44 0.00 0.00 57.07 56.32 2ddi s TYR 28 Cb -0.05 -3.12 0.04 0.00 0.35 0.00 0.00 41.96 39.18 2ddi s TYR 28 CO 0.00 -0.03 -0.09 -1.12 -1.34 0.00 0.00 175.55 172.97 2ddi s SER 29 N -0.49 4.23 0.34 4.32 0.01 -0.02 -4.75 113.70 117.33 2ddi s SER 29 Ca 0.45 -1.03 0.08 0.00 1.31 0.00 0.00 55.95 56.76 2ddi s SER 29 Cb -0.27 -1.61 0.60 0.00 0.21 0.00 0.00 66.02 64.96 2ddi s SER 29 CO 0.33 -0.14 1.80 1.55 0.41 0.00 0.00 173.24 177.19 2ddi h PRO 30 N 7.93 0.24 0.00 12.44 0.13 -1.83 0.15 132.00 151.06 2ddi h PRO 30 Ca -0.30 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 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 0.51 0.00 -0.07 -0.23 0.00 0.00 178.00 178.75 2ddi h LEU 31 N 0.21 0.00 -0.80 1.56 4.07 -1.94 -0.96 115.31 117.45 2ddi h LEU 31 Ca 0.03 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.99 2ddi h LEU 31 Cb 0.61 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.35 2ddi h LEU 31 CO 0.04 0.00 -0.12 0.18 -1.08 0.00 0.00 178.44 177.46 2ddi n LEU 32 N -2.41 1.14 -1.72 1.67 4.77 -0.74 -5.01 117.00 114.71 2ddi n LEU 32 Ca -0.00 -0.81 -0.15 0.00 -0.03 0.00 0.00 56.01 55.02 2ddi n LEU 32 Cb 0.13 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.18 2ddi n LEU 32 CO 0.16 0.24 -0.16 1.67 -1.33 0.00 0.00 177.39 177.97 2ddi n GLN 33 N -0.17 -1.54 -3.76 3.23 7.27 0.42 -4.89 117.38 117.94 2ddi n GLN 33 Ca 0.03 0.83 -0.03 0.00 0.07 0.00 0.00 57.00 57.90 2ddi n GLN 33 Cb 0.16 -5.21 -0.01 0.00 2.41 0.00 0.00 30.24 27.59 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 -3.76 1.22 0.29 3.69 0.74 -0.59 -4.81 119.66 116.44 2ddi s GLN 34 Ca 0.00 -0.68 -0.19 0.00 0.05 0.00 0.00 55.36 54.53 2ddi s GLN 34 Cb 0.00 0.41 -0.09 0.00 1.10 0.00 0.00 33.01 34.43 2ddi s GLN 34 CO 0.00 -0.56 0.79 0.00 -0.55 0.00 0.00 175.29 174.97 2ddi s HIS 36 N -1.76 0.77 0.83 0.00 -3.43 -0.52 -4.95 115.29 106.24 2ddi s HIS 36 Ca 0.50 -0.82 -0.11 0.00 -0.80 0.00 0.00 55.06 53.83 2ddi s HIS 36 Cb -0.14 -0.46 0.09 0.00 -1.43 0.00 0.00 32.58 30.64 2ddi s HIS 36 CO 0.19 -0.16 1.09 -1.25 -2.00 0.00 0.00 174.74 172.61 2ddi s PRO 37 N -3.21 1.79 0.18 -0.38 0.05 -1.26 -1.45 135.00 130.73 2ddi s PRO 37 Ca 0.05 1.03 -0.18 0.00 0.05 0.00 0.00 61.00 61.95 2ddi s PRO 37 Cb 0.01 -1.85 0.04 0.00 0.05 0.00 0.00 34.50 32.74 2ddi s PRO 37 CO -0.04 -1.93 0.51 -0.59 0.05 0.00 0.00 177.00 175.00 2ddi s PHE 38 N -2.91 -0.20 -0.15 0.56 -0.71 0.81 -4.81 117.98 110.58 2ddi s PHE 38 Ca 0.62 -0.13 -0.24 0.00 -1.04 0.00 0.00 56.93 56.15 2ddi s PHE 38 Cb -0.18 0.39 -0.02 0.00 -1.21 0.00 0.00 43.02 42.00 2ddi s PHE 38 CO 0.56 -0.87 0.75 0.08 -1.34 0.00 0.00 175.22 174.40 2ddi s VAL 39 N -3.84 4.96 0.45 -2.49 1.01 -1.26 -1.47 120.40 117.75 2ddi s VAL 39 Ca 0.07 1.47 0.03 0.00 0.00 0.00 0.00 61.98 63.55 2ddi s VAL 39 Cb -0.00 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 32.27 2ddi s VAL 39 CO -0.06 0.11 0.03 -0.47 0.00 0.00 0.00 175.10 174.71 2ddi s TYR 40 N 1.73 2.04 0.00 5.22 5.04 0.01 -4.45 117.35 126.93 2ddi s TYR 40 Ca 0.36 -0.93 0.00 0.00 -2.44 0.00 0.00 57.07 54.05 2ddi s TYR 40 Cb -0.17 -1.55 0.00 0.00 0.35 0.00 0.00 41.96 40.59 2ddi s TYR 40 CO 0.13 0.18 0.46 0.41 -1.34 0.00 0.00 175.55 175.40 2ddi n GLY 41 N -1.07 -0.46 3.27 8.97 0.00 -0.86 -0.66 105.19 114.38 2ddi n GLY 41 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.10 1.60 1.14 -0.02 0.00 -1.26 -4.74 105.19 101.81 2ddi n GLY 42 Ca 0.00 -0.13 -0.09 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.18 0.00 -3.84 0.00 4.71 -1.26 -4.76 120.64 113.30 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 0.18 -0.93 0.01 0.00 -1.01 0.00 0.00 31.44 29.69 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 -0.27 0.05 0.68 0.62 0.00 -1.26 -2.71 107.32 104.44 2ddi s GLY 45 Ca 0.57 -0.27 0.02 0.00 0.00 0.00 0.00 44.72 45.04 2ddi s GLY 45 CO 0.40 1.39 0.94 -1.31 0.00 0.00 0.00 173.10 174.53 2ddi s ASN 46 N -3.23 4.53 0.25 1.64 0.01 -1.26 -5.00 114.94 111.88 2ddi s ASN 46 Ca 0.18 -0.46 0.25 0.00 -0.71 0.00 0.00 52.86 52.12 2ddi s ASN 46 Cb -0.03 0.03 0.92 0.00 0.41 0.00 0.00 41.25 42.59 2ddi s ASN 46 CO 0.05 -1.73 1.74 0.61 -1.51 0.00 0.00 177.10 176.27 2ddi n GLY 47 N -2.69 -1.46 2.93 0.66 0.00 -1.26 -4.01 105.19 99.36 2ddi n GLY 47 Ca 0.15 0.05 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.27 4.14 -3.58 1.61 5.15 -1.26 -4.81 115.26 114.24 2ddi n ASN 48 Ca 0.03 -2.86 -0.20 0.00 -0.60 0.00 0.00 54.58 50.95 2ddi n ASN 48 Cb 0.31 -1.68 -0.15 0.00 -0.53 0.00 0.00 39.78 37.73 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 3.42 1.46 0.30 1.20 3.84 -1.26 -4.60 114.94 119.31 2ddi s ASN 49 Ca 0.49 -0.16 0.11 0.00 0.21 0.00 0.00 52.86 53.50 2ddi s ASN 49 Cb 0.12 0.16 -0.05 0.00 -0.55 0.00 0.00 41.25 40.92 2ddi s ASN 49 CO -0.05 -0.31 -0.12 -0.36 -2.79 0.00 0.00 177.10 173.47 2ddi s PHE 50 N 2.26 2.41 -0.46 0.43 0.08 0.91 -4.93 117.98 118.67 2ddi s PHE 50 Ca 0.04 -0.36 0.23 0.00 0.12 0.00 0.00 56.93 56.96 2ddi s PHE 50 Cb -0.15 -1.17 0.03 0.00 -0.57 0.00 0.00 43.02 41.16 2ddi s PHE 50 CO -0.09 0.65 1.00 0.72 -0.10 0.00 0.00 175.22 177.40 2ddi n HIS 51 N -0.74 0.43 -3.79 0.36 8.25 -1.26 -1.28 115.22 117.19 2ddi n HIS 51 Ca -0.05 0.13 -0.04 0.00 -0.26 0.00 0.00 57.72 57.49 2ddi n HIS 51 Cb 0.61 -0.59 -0.01 0.00 1.12 0.00 0.00 29.99 31.12 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 -4.36 -0.14 0.10 0.41 1.04 -1.26 -4.85 113.70 104.64 2ddi s SER 52 Ca 0.02 -0.52 -0.20 0.00 0.48 0.00 0.00 55.95 55.72 2ddi s SER 52 Cb 0.13 0.54 -0.09 0.00 0.10 0.00 0.00 66.02 66.70 2ddi s SER 52 CO 0.80 -1.02 1.70 -0.09 0.98 0.00 0.00 173.24 175.62 2ddi h ARG 53 N 2.00 0.24 -0.05 4.02 9.65 -1.97 -2.78 114.38 125.49 2ddi h ARG 53 Ca -0.25 -0.03 0.01 0.00 -1.10 0.00 0.00 59.98 58.62 2ddi h ARG 53 Cb 1.23 -0.05 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 2ddi h ARG 53 CO 0.28 0.24 -0.17 1.49 2.80 0.00 0.00 179.97 184.60 2ddi h GLU 54 N 0.18 -0.17 -0.50 0.20 4.81 -1.98 -0.28 114.58 116.84 2ddi h GLU 54 Ca 0.06 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.38 2ddi h GLU 54 Cb 0.06 0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.45 2ddi h GLU 54 CO -0.01 -0.11 0.34 0.66 -0.73 0.00 0.00 179.01 179.15 2ddi h SER 55 N -0.18 0.32 -0.05 1.04 4.64 -1.95 0.79 113.55 118.16 2ddi h SER 55 Ca 0.01 0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.29 2ddi h SER 55 Cb 0.21 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.24 2ddi h SER 55 CO -0.14 0.20 -0.13 0.00 -0.87 0.00 0.00 176.83 175.89 2ddi h GLU 57 N -0.34 0.40 -0.52 0.00 5.08 -0.46 0.10 114.58 118.84 2ddi h GLU 57 Ca -0.00 -0.10 0.01 0.00 -1.00 0.00 0.00 59.36 58.27 2ddi h GLU 57 Cb 0.73 -0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.90 2ddi h GLU 57 CO 0.03 0.51 0.34 0.22 -1.00 0.00 0.00 179.01 179.11 2ddi h ASP 58 N 0.38 0.58 -0.18 1.42 3.58 -0.87 -0.63 116.42 120.70 2ddi h ASP 58 Ca 0.08 -0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.46 2ddi h ASP 58 Cb 0.41 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.32 2ddi h ASP 58 CO 0.02 0.42 -0.09 0.00 -2.88 0.00 0.00 179.24 176.71 2ddi h ALA 59 N 1.20 0.26 -2.66 -0.78 0.00 -0.79 -3.41 119.26 113.07 2ddi h ALA 59 Ca 0.20 -0.28 -0.59 0.00 0.00 0.00 0.00 54.91 54.23 2ddi h ALA 59 Cb -0.06 -0.06 -0.39 0.00 0.00 0.00 0.00 17.79 17.27 2ddi h ALA 59 CO -0.05 0.08 -0.83 0.00 0.00 0.00 0.00 179.25 178.45 2ddi n PRO 61 N 3.80 0.92 -3.24 0.00 -0.04 -0.26 -4.35 135.00 131.82 2ddi n PRO 61 Ca 0.13 0.00 -0.27 0.00 -0.04 0.00 0.00 63.50 63.32 2ddi n PRO 61 Cb 0.37 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 33.81 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 -0.06 5.04 -0.16 0.52 1.01 -1.26 -4.96 120.40 120.53 2ddi s VAL 62 Ca 0.00 -0.12 -0.41 0.00 0.00 0.00 0.00 61.98 61.44 2ddi s VAL 62 Cb 0.00 -3.80 -0.19 0.00 0.00 0.00 0.00 36.38 32.39 2ddi s VAL 62 CO 0.00 -0.50 1.35 0.52 0.00 0.00 0.00 175.10 176.48 2ddi n VAL 63 N -1.47 0.04 -0.73 2.92 0.31 -1.26 -4.93 118.33 113.21 2ddi n VAL 63 Ca -0.03 -0.01 -0.30 0.00 -0.01 0.00 0.00 64.34 64.00 2ddi n VAL 63 Cb 0.55 -0.43 0.26 0.00 -0.91 0.00 0.00 33.84 33.31 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 1.38 0.16 0.37 4.52 2.15 -1.26 -4.90 116.67 119.09 2ddi s ASP 64 Ca 0.95 0.84 0.16 0.00 0.43 0.00 0.00 52.55 54.92 2ddi s ASP 64 Cb -1.26 -1.21 1.03 0.00 -0.30 0.00 0.00 42.92 41.18 2ddi s ASP 64 CO 0.64 -4.62 1.76 0.45 -0.17 0.00 0.00 175.17 173.22 2ddi h HIS 65 N -2.91 0.77 -2.61 -5.34 3.86 -2.06 -3.38 115.15 103.48 2ddi h HIS 65 Ca -0.47 0.03 -0.53 0.00 -1.16 0.00 0.00 60.37 58.24 2ddi h HIS 65 Cb 1.32 -0.22 0.03 0.00 1.06 0.00 0.00 27.41 29.59 2ddi h HIS 65 CO -2.24 0.06 1.06 -3.38 0.86 0.00 0.00 177.93 174.29 2ddi s HIS 66 N -5.58 2.24 -0.07 2.45 -3.43 -1.26 -4.99 115.29 104.65 2ddi s HIS 66 Ca -0.09 0.15 -0.01 0.00 -0.80 0.00 0.00 55.06 54.30 2ddi s HIS 66 Cb 0.26 -4.05 0.03 0.00 -1.43 0.00 0.00 32.58 27.38 2ddi s HIS 66 CO 0.80 -4.31 -0.00 -1.01 -2.00 0.00 0.00 174.74 168.21 2ddi s HIS 67 N 2.85 0.65 0.78 0.38 3.76 -1.26 -5.01 115.29 117.44 2ddi s HIS 67 Ca 0.77 -0.16 -0.13 0.00 -0.15 0.00 0.00 55.06 55.40 2ddi s HIS 67 Cb -0.42 -0.77 0.06 0.00 1.11 0.00 0.00 32.58 32.56 2ddi s HIS 67 CO 0.34 -0.31 1.14 -1.01 -0.85 0.00 0.00 174.74 174.05 2ddi s HIS 68 N 1.87 2.17 0.19 1.40 3.76 -1.26 -5.06 115.29 118.35 2ddi s HIS 68 Ca 0.03 1.63 -0.23 0.00 -0.15 0.00 0.00 55.06 56.34 2ddi s HIS 68 Cb -0.12 -3.28 0.05 0.00 1.11 0.00 0.00 32.58 30.34 2ddi s HIS 68 CO -0.05 -2.29 0.77 -3.38 -0.85 0.00 0.00 174.74 168.94 2ddi s HIS 69 N -2.46 -0.28 -2.00 1.40 -3.43 -1.26 -5.20 115.29 102.06 2ddi s HIS 69 Ca 0.68 -0.04 0.18 0.00 -0.80 0.00 0.00 55.06 55.07 2ddi s HIS 69 Cb -0.23 0.64 1.07 0.00 -1.43 0.00 0.00 32.58 32.63 2ddi s HIS 69 CO 0.51 -0.96 1.47 1.58 -2.00 0.00 0.00 174.74 175.34