#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 3.38 0.00 0.62 0.00 -1.26 -4.97 120.51 118.29 2ddi n ALA 2 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 53.44 52.81 2ddi n ALA 2 Cb 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 19.45 19.13 2ddi n ALA 2 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 2ddi n GLU 3 N 0.00 2.90 0.00 0.00 4.71 -1.26 -4.90 120.64 122.09 2ddi n GLU 3 Ca -0.26 0.00 0.02 0.00 -0.01 0.00 0.00 57.16 56.91 2ddi n GLU 3 Cb 0.67 -0.53 -0.02 0.00 -1.01 0.00 0.00 31.44 30.55 2ddi n GLU 3 CO 0.00 0.00 0.00 0.00 0.09 0.00 0.00 177.13 177.22 2ddi n ALA 4 N -0.34 2.49 -0.12 0.62 0.00 -1.26 -4.74 120.51 117.16 2ddi n ALA 4 Ca 0.00 -0.17 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2ddi n ALA 4 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 19.45 19.30 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 0.13 0.77 -2.21 0.00 3.07 -1.91 -3.31 114.58 111.12 2ddi h GLU 5 Ca 0.00 -0.34 0.01 0.00 -0.50 0.00 0.00 59.36 58.53 2ddi h GLU 5 Cb 0.10 -0.02 -0.23 0.00 -0.84 0.00 0.00 28.75 27.76 2ddi h GLU 5 CO 0.00 0.96 -0.22 0.12 -1.40 0.00 0.00 179.01 178.47 2ddi s PHE 6 N -4.62 -1.11 -1.66 4.33 5.36 -1.26 -4.94 117.98 114.08 2ddi s PHE 6 Ca -0.12 2.00 0.00 0.00 -0.96 0.00 0.00 56.93 57.85 2ddi s PHE 6 Cb 0.10 0.60 0.00 0.00 -0.34 0.00 0.00 43.02 43.38 2ddi s PHE 6 CO 0.83 -0.58 0.00 2.41 -1.46 0.00 0.00 175.22 176.41 2ddi n THR 7 N 5.34 0.00 -0.85 0.12 -1.04 -1.26 -5.05 114.28 111.54 2ddi n THR 7 Ca -0.11 0.00 -0.34 0.00 -2.04 0.00 0.00 64.05 61.56 2ddi n THR 7 Cb 0.50 0.00 0.10 0.00 -1.82 0.00 0.00 70.33 69.11 2ddi n THR 7 CO 0.00 0.00 0.00 -0.67 -0.64 0.00 0.00 175.07 173.76 2ddi n ASP 8 N 0.71 -3.11 -0.34 8.00 2.03 -1.26 -4.77 116.55 117.81 2ddi n ASP 8 Ca 0.00 0.27 0.28 0.00 0.52 0.00 0.00 54.79 55.86 2ddi n ASP 8 Cb 0.00 -1.08 0.59 0.00 -0.72 0.00 0.00 41.12 39.91 2ddi n ASP 8 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2ddi h ALA 9 N -1.43 2.52 -0.56 -1.67 0.00 -1.94 -0.26 119.26 115.92 2ddi h ALA 9 Ca -0.44 0.04 0.13 0.00 0.00 0.00 0.00 54.91 54.65 2ddi h ALA 9 Cb 1.29 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.12 2ddi h ALA 9 CO 0.31 -0.95 0.39 0.00 0.00 0.00 0.00 179.25 179.01 2ddi h VAL 11 N 0.16 1.44 -2.70 0.00 2.07 -1.31 -3.37 116.25 112.53 2ddi h VAL 11 Ca 0.27 -2.50 -0.52 0.00 0.82 0.00 0.00 66.70 64.76 2ddi h VAL 11 Cb 0.84 2.42 0.05 0.00 -1.52 0.00 0.00 31.29 33.08 2ddi h VAL 11 CO -0.04 0.74 0.99 -0.22 0.02 0.00 0.00 177.57 179.06 2ddi s LEU 12 N -7.60 4.37 0.63 2.57 2.96 -0.09 -4.51 118.68 117.01 2ddi s LEU 12 Ca -0.04 2.76 -0.17 0.00 -0.22 0.00 0.00 54.13 56.45 2ddi s LEU 12 Cb 0.10 -3.59 -0.07 0.00 0.50 0.00 0.00 46.19 43.12 2ddi s LEU 12 CO 0.85 -0.93 0.53 -2.65 -1.32 0.00 0.00 176.35 172.83 2ddi n PRO 13 N 4.28 0.45 -2.81 0.98 -0.02 -1.26 -4.74 135.00 131.88 2ddi n PRO 13 Ca 0.16 0.18 -0.31 0.00 -2.02 0.00 0.00 63.50 61.51 2ddi n PRO 13 Cb 0.37 -1.75 -0.04 0.00 -0.02 0.00 0.00 33.50 32.05 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 -1.78 3.27 -0.01 3.55 0.00 -1.26 -4.85 121.76 120.69 2ddi s ALA 14 Ca 0.68 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 52.63 2ddi s ALA 14 Cb -0.41 -2.83 -0.01 0.00 0.00 0.00 0.00 23.12 19.87 2ddi s ALA 14 CO 0.55 0.02 -0.10 0.08 0.00 0.00 0.00 175.76 176.31 2ddi s VAL 15 N -2.34 0.77 -0.07 0.00 1.01 -1.26 -5.02 120.40 113.49 2ddi s VAL 15 Ca 0.54 -0.42 -0.12 0.00 0.00 0.00 0.00 61.98 61.99 2ddi s VAL 15 Cb -0.10 -0.65 -0.08 0.00 0.00 0.00 0.00 36.38 35.55 2ddi s VAL 15 CO 0.28 0.22 0.45 1.56 0.00 0.00 0.00 175.10 177.61 2ddi h GLN 16 N 5.90 -0.24 0.00 2.72 4.20 -1.91 -3.38 115.11 122.40 2ddi h GLN 16 Ca -0.31 0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.41 2ddi h GLN 16 Cb 1.18 0.05 0.00 0.00 0.30 0.00 0.00 27.48 29.01 2ddi h GLN 16 CO 0.49 -0.03 0.00 0.41 -0.67 0.00 0.00 178.83 179.04 2ddi n GLY 17 N 1.02 2.64 0.05 3.46 0.00 -1.26 -0.29 105.19 110.81 2ddi n GLY 17 Ca -0.05 -1.93 0.13 0.00 0.00 0.00 0.00 46.02 44.18 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 -1.61 0.12 -1.41 1.61 -0.04 -1.26 -4.87 135.00 127.54 2ddi n PRO 18 Ca 0.00 0.13 -0.30 0.00 -0.04 0.00 0.00 63.50 63.29 2ddi n PRO 18 Cb 0.00 -1.65 0.20 0.00 -0.04 0.00 0.00 33.50 32.02 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 -4.28 0.38 -3.43 0.00 3.00 -1.26 -4.95 116.66 106.12 2ddi n ARG 20 Ca 0.12 -0.72 -0.29 0.00 -0.01 0.00 0.00 57.85 56.95 2ddi n ARG 20 Cb 0.59 -0.89 -0.03 0.00 0.00 0.00 0.00 32.46 32.13 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 -0.29 1.87 -0.10 -0.13 0.00 -1.26 -5.10 107.32 102.32 2ddi s GLY 21 Ca 0.00 -0.61 -0.01 0.00 0.00 0.00 0.00 44.72 44.11 2ddi s GLY 21 CO 0.00 -0.51 -0.04 -0.98 0.00 0.00 0.00 173.10 171.57 2ddi s TRP 22 N -2.01 1.13 -0.23 1.90 0.23 -1.26 -4.29 118.94 114.40 2ddi s TRP 22 Ca 0.43 -0.49 0.02 0.00 -2.03 0.00 0.00 56.10 54.03 2ddi s TRP 22 Cb -0.11 -1.04 0.05 0.00 0.03 0.00 0.00 33.47 32.39 2ddi s TRP 22 CO 0.29 -0.43 -0.14 -2.00 0.96 0.00 0.00 176.95 175.63 2ddi s GLU 23 N 1.83 2.50 0.00 4.98 2.56 0.47 -4.97 118.70 126.07 2ddi s GLU 23 Ca 0.05 -1.14 -0.30 0.00 0.00 0.00 0.00 54.97 53.57 2ddi s GLU 23 Cb -0.12 -2.76 -0.06 0.00 2.00 0.00 0.00 34.13 33.19 2ddi s GLU 23 CO -0.07 -0.44 1.48 -1.25 -0.56 0.00 0.00 175.26 174.43 2ddi s PRO 24 N 1.18 4.25 0.42 4.30 0.04 -1.26 -0.85 135.00 143.07 2ddi s PRO 24 Ca -0.04 2.07 0.04 0.00 0.04 0.00 0.00 61.00 63.11 2ddi s PRO 24 Cb -0.17 -3.64 -0.02 0.00 0.04 0.00 0.00 34.50 30.71 2ddi s PRO 24 CO -0.08 -0.65 0.12 1.03 0.04 0.00 0.00 177.00 177.46 2ddi s ARG 25 N 2.70 1.96 -0.00 4.56 1.81 -0.53 -4.93 118.95 124.53 2ddi s ARG 25 Ca 0.67 -2.20 0.08 0.00 -1.72 0.00 0.00 55.73 52.56 2ddi s ARG 25 Cb -0.33 -0.66 -0.02 0.00 -0.45 0.00 0.00 34.95 33.48 2ddi s ARG 25 CO 0.28 -0.48 -0.26 -1.58 -0.68 0.00 0.00 175.30 172.57 2ddi s TRP 26 N -3.18 2.32 0.04 -0.53 0.52 -0.52 -0.30 118.94 117.28 2ddi s TRP 26 Ca 0.22 -0.43 0.03 0.00 0.02 0.00 0.00 56.10 55.94 2ddi s TRP 26 Cb 0.02 -1.47 -0.02 0.00 -1.15 0.00 0.00 33.47 30.86 2ddi s TRP 26 CO 0.14 0.00 -0.10 0.00 0.02 0.00 0.00 176.95 177.01 2ddi s ALA 27 N -0.66 0.83 0.08 0.98 0.00 -0.26 -0.05 121.76 122.68 2ddi s ALA 27 Ca 0.10 -0.72 -0.25 0.00 0.00 0.00 0.00 51.96 51.10 2ddi s ALA 27 Cb -0.10 -0.08 -0.06 0.00 0.00 0.00 0.00 23.12 22.88 2ddi s ALA 27 CO -0.00 0.11 0.77 -0.47 0.00 0.00 0.00 175.76 176.17 2ddi s TYR 28 N -0.96 3.79 -0.25 0.00 6.14 -1.26 -0.96 117.35 123.85 2ddi s TYR 28 Ca -0.03 1.52 0.00 0.00 0.64 0.00 0.00 57.07 59.20 2ddi s TYR 28 Cb -0.08 -2.80 0.04 0.00 0.42 0.00 0.00 41.96 39.53 2ddi s TYR 28 CO 0.01 0.34 -0.09 -1.12 0.64 0.00 0.00 175.55 175.33 2ddi s SER 29 N -0.37 4.23 0.23 4.32 0.01 0.23 -4.70 113.70 117.65 2ddi s SER 29 Ca 0.38 -1.03 -0.02 0.00 1.31 0.00 0.00 55.95 56.59 2ddi s SER 29 Cb -0.21 -1.61 0.26 0.00 0.21 0.00 0.00 66.02 64.67 2ddi s SER 29 CO 0.24 -0.14 1.66 1.55 0.41 0.00 0.00 173.24 176.96 2ddi h PRO 30 N 7.93 0.67 0.00 12.44 0.13 -1.82 0.53 132.00 151.88 2ddi h PRO 30 Ca -0.30 -0.27 -0.01 0.00 -0.87 0.00 0.00 66.00 64.56 2ddi h PRO 30 Cb 1.09 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2ddi h PRO 30 CO 0.55 0.85 -0.03 -0.07 -0.23 0.00 0.00 178.00 179.07 2ddi h LEU 31 N 0.59 0.00 -1.01 1.56 3.38 -1.94 0.43 115.31 118.32 2ddi h LEU 31 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 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 0.03 -0.37 0.18 0.09 0.00 0.00 178.44 178.42 2ddi n LEU 32 N -3.53 1.91 -3.60 1.67 4.77 -0.96 -4.98 117.00 112.28 2ddi n LEU 32 Ca -0.02 -0.78 -0.25 0.00 -0.03 0.00 0.00 56.01 54.92 2ddi n LEU 32 Cb 0.13 0.00 -0.03 0.00 -2.33 0.00 0.00 43.42 41.20 2ddi n LEU 32 CO 0.26 0.36 -0.06 1.67 -1.33 0.00 0.00 177.39 178.28 2ddi n GLN 33 N 0.03 -2.60 -3.79 3.23 7.27 0.14 -4.87 117.38 116.78 2ddi n GLN 33 Ca 0.08 0.29 -0.05 0.00 0.07 0.00 0.00 57.00 57.40 2ddi n GLN 33 Cb 0.41 -4.93 -0.02 0.00 2.41 0.00 0.00 30.24 28.11 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 -6.24 1.41 0.02 3.69 0.74 -0.67 -5.00 119.66 113.62 2ddi s GLN 34 Ca 0.48 -0.78 -0.04 0.00 0.05 0.00 0.00 55.36 55.07 2ddi s GLN 34 Cb -0.26 0.48 -0.04 0.00 1.10 0.00 0.00 33.01 34.28 2ddi s GLN 34 CO 0.58 -0.65 0.23 0.00 -0.55 0.00 0.00 175.29 174.91 2ddi s HIS 36 N -1.36 1.07 0.89 0.00 -3.43 -0.13 -4.96 115.29 107.37 2ddi s HIS 36 Ca 0.29 -0.61 -0.12 0.00 -0.80 0.00 0.00 55.06 53.83 2ddi s HIS 36 Cb -0.13 -0.59 0.13 0.00 -1.43 0.00 0.00 32.58 30.56 2ddi s HIS 36 CO 0.19 0.01 1.10 -1.25 -2.00 0.00 0.00 174.74 172.79 2ddi s PRO 37 N -2.53 1.31 0.17 -0.38 0.04 -1.26 -1.10 135.00 131.24 2ddi s PRO 37 Ca 0.03 0.71 -0.20 0.00 0.04 0.00 0.00 61.00 61.58 2ddi s PRO 37 Cb -0.05 -1.82 0.05 0.00 0.04 0.00 0.00 34.50 32.72 2ddi s PRO 37 CO 0.01 -2.18 0.55 -0.59 0.04 0.00 0.00 177.00 174.83 2ddi s PHE 38 N -3.01 -0.36 -0.38 0.56 -0.71 0.58 -4.78 117.98 109.90 2ddi s PHE 38 Ca 0.63 0.08 -0.24 0.00 -1.04 0.00 0.00 56.93 56.36 2ddi s PHE 38 Cb -0.17 0.47 0.01 0.00 -1.21 0.00 0.00 43.02 42.12 2ddi s PHE 38 CO 0.56 -0.86 0.84 0.08 -1.34 0.00 0.00 175.22 174.51 2ddi s VAL 39 N -3.80 4.66 0.23 -2.49 1.01 -1.26 -1.45 120.40 117.30 2ddi s VAL 39 Ca 0.04 0.95 0.05 0.00 0.00 0.00 0.00 61.98 63.02 2ddi s VAL 39 Cb -0.01 -4.27 -0.03 0.00 0.00 0.00 0.00 36.38 32.07 2ddi s VAL 39 CO -0.09 -0.51 0.28 -0.47 0.00 0.00 0.00 175.10 174.30 2ddi s TYR 40 N 3.28 3.32 -2.52 5.22 5.04 -0.03 -4.32 117.35 127.32 2ddi s TYR 40 Ca 0.34 -0.04 0.21 0.00 -2.44 0.00 0.00 57.07 55.14 2ddi s TYR 40 Cb -0.12 -1.52 0.22 0.00 0.35 0.00 0.00 41.96 40.88 2ddi s TYR 40 CO 0.18 0.48 1.21 0.41 -1.34 0.00 0.00 175.55 176.49 2ddi n GLY 41 N -1.16 0.93 3.52 8.97 0.00 0.60 -0.39 105.19 117.66 2ddi n GLY 41 Ca -0.08 -0.62 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 1.21 1.93 0.96 -0.02 0.00 -1.26 -4.45 105.19 103.56 2ddi n GLY 42 Ca 0.13 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.37 0.00 -2.69 0.00 4.71 -1.26 -4.86 120.64 116.17 2ddi n GLU 44 Ca -0.05 0.00 -0.01 0.00 -0.01 0.00 0.00 57.16 57.09 2ddi n GLU 44 Cb 0.17 -0.89 0.01 0.00 -1.01 0.00 0.00 31.44 29.72 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 1.13 0.84 3.99 0.62 0.00 -1.26 -3.98 105.19 106.53 2ddi n GLY 45 Ca 0.13 -1.01 -0.22 0.00 0.00 0.00 0.00 46.02 44.92 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 -2.24 4.78 0.05 1.61 0.01 -1.26 -5.00 114.94 112.89 2ddi s ASN 46 Ca 0.12 -0.29 0.28 0.00 -0.71 0.00 0.00 52.86 52.26 2ddi s ASN 46 Cb -0.01 -0.30 1.14 0.00 0.41 0.00 0.00 41.25 42.49 2ddi s ASN 46 CO 0.02 -1.53 1.89 0.61 -1.51 0.00 0.00 177.10 176.58 2ddi n GLY 47 N -2.58 -1.54 3.09 0.66 0.00 -1.26 -4.30 105.19 99.26 2ddi n GLY 47 Ca 0.12 -0.09 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.67 3.67 -3.67 1.61 2.85 -1.26 -4.81 115.26 111.98 2ddi n ASN 48 Ca 0.07 -2.80 -0.25 0.00 -0.11 0.00 0.00 54.58 51.49 2ddi n ASN 48 Cb 0.36 -1.55 -0.17 0.00 1.24 0.00 0.00 39.78 39.66 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 4.21 2.17 0.25 1.20 3.84 -1.26 -4.56 114.94 120.79 2ddi s ASN 49 Ca 0.53 -0.48 0.11 0.00 0.21 0.00 0.00 52.86 53.23 2ddi s ASN 49 Cb 0.11 -0.33 -0.05 0.00 -0.55 0.00 0.00 41.25 40.43 2ddi s ASN 49 CO 0.02 -0.30 -0.13 -0.36 -2.79 0.00 0.00 177.10 173.53 2ddi s PHE 50 N 2.06 2.47 -0.46 0.43 0.08 0.93 -4.95 117.98 118.54 2ddi s PHE 50 Ca 0.02 -0.28 0.23 0.00 0.12 0.00 0.00 56.93 57.01 2ddi s PHE 50 Cb -0.15 -1.12 0.02 0.00 -0.57 0.00 0.00 43.02 41.20 2ddi s PHE 50 CO -0.07 0.63 1.00 0.72 -0.10 0.00 0.00 175.22 177.39 2ddi n HIS 51 N -0.47 0.42 -3.61 0.36 8.25 -1.26 -1.44 115.22 117.48 2ddi n HIS 51 Ca -0.07 0.12 -0.07 0.00 -0.26 0.00 0.00 57.72 57.44 2ddi n HIS 51 Cb 0.58 -0.58 -0.02 0.00 1.12 0.00 0.00 29.99 31.09 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 -4.35 -0.30 0.12 0.41 1.04 -1.26 -4.87 113.70 104.49 2ddi s SER 52 Ca 0.02 -0.19 -0.20 0.00 0.48 0.00 0.00 55.95 56.06 2ddi s SER 52 Cb 0.13 0.46 -0.07 0.00 0.10 0.00 0.00 66.02 66.64 2ddi s SER 52 CO 0.80 -0.79 1.77 -0.09 0.98 0.00 0.00 173.24 175.91 2ddi h ARG 53 N 2.00 0.27 -0.05 4.02 9.65 -1.97 -2.61 114.38 125.69 2ddi h ARG 53 Ca -0.24 -0.02 0.01 0.00 -1.10 0.00 0.00 59.98 58.63 2ddi h ARG 53 Cb 1.24 -0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 29.74 2ddi h ARG 53 CO 0.29 0.19 -0.20 1.49 2.80 0.00 0.00 179.97 184.54 2ddi h GLU 54 N 0.27 -0.21 -0.49 0.20 4.22 -1.98 -1.42 114.58 115.17 2ddi h GLU 54 Ca 0.07 0.01 0.06 0.00 0.08 0.00 0.00 59.36 59.59 2ddi h GLU 54 Cb -0.02 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 2ddi h GLU 54 CO -0.02 -0.14 0.33 0.66 -2.18 0.00 0.00 179.01 177.66 2ddi h SER 55 N -0.22 0.36 0.25 1.04 4.64 -1.94 0.11 113.55 117.80 2ddi h SER 55 Ca 0.01 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.32 2ddi h SER 55 Cb 0.25 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 2ddi h SER 55 CO -0.17 0.24 -0.12 0.00 -0.87 0.00 0.00 176.83 175.91 2ddi h GLU 57 N -0.74 0.37 0.00 0.00 5.08 -0.71 -1.39 114.58 117.20 2ddi h GLU 57 Ca -0.03 -0.09 -0.08 0.00 -1.00 0.00 0.00 59.36 58.16 2ddi h GLU 57 Cb 0.49 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.68 2ddi h GLU 57 CO 0.06 0.47 -0.37 0.22 -1.00 0.00 0.00 179.01 178.39 2ddi h ASP 58 N 0.35 0.00 0.33 1.42 3.58 -0.82 -3.36 116.42 117.92 2ddi h ASP 58 Ca 0.07 0.00 -0.02 0.00 0.42 0.00 0.00 57.03 57.50 2ddi h ASP 58 Cb 0.39 0.00 0.00 0.00 1.72 0.00 0.00 39.33 41.44 2ddi h ASP 58 CO 0.02 0.37 -0.16 0.00 -2.88 0.00 0.00 179.24 176.59 2ddi h ALA 59 N 1.63 -0.78 -2.55 -0.78 0.00 0.25 -3.42 119.26 113.61 2ddi h ALA 59 Ca -0.00 -0.10 -0.73 0.00 0.00 0.00 0.00 54.91 54.08 2ddi h ALA 59 Cb 1.14 0.17 -0.28 0.00 0.00 0.00 0.00 17.79 18.82 2ddi h ALA 59 CO 0.05 -0.75 -0.37 0.00 0.00 0.00 0.00 179.25 178.18 2ddi s PRO 61 N 1.41 1.00 0.00 0.00 0.04 -1.26 -4.75 135.00 131.45 2ddi s PRO 61 Ca 0.05 -0.02 0.00 0.00 0.04 0.00 0.00 61.00 61.07 2ddi s PRO 61 Cb -0.26 -1.85 0.00 0.00 0.04 0.00 0.00 34.50 32.42 2ddi s PRO 61 CO 0.00 -2.23 0.00 0.28 0.04 0.00 0.00 177.00 175.09 2ddi n VAL 62 N -3.73 0.00 -1.69 -0.36 0.31 -1.26 -5.08 118.33 106.52 2ddi n VAL 62 Ca 0.10 0.00 -0.44 0.00 -0.01 0.00 0.00 64.34 64.00 2ddi n VAL 62 Cb 0.60 0.00 -0.02 0.00 -0.91 0.00 0.00 33.84 33.51 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 1.14 -1.56 2.52 0.31 -1.26 -4.73 118.33 114.75 2ddi n VAL 63 Ca 0.00 -0.28 -0.49 0.00 -0.01 0.00 0.00 64.34 63.56 2ddi n VAL 63 Cb 0.00 -1.61 -0.05 0.00 -0.91 0.00 0.00 33.84 31.26 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 1.93 2.79 -4.59 4.52 2.03 -1.26 -4.84 116.55 117.13 2ddi n ASP 64 Ca 0.10 0.57 -0.42 0.00 0.52 0.00 0.00 54.79 55.56 2ddi n ASP 64 Cb 0.33 -1.35 -0.03 0.00 -0.72 0.00 0.00 41.12 39.35 2ddi n ASP 64 CO 0.00 0.00 0.00 -1.00 -1.92 0.00 0.00 177.20 174.28 2ddi s HIS 65 N 6.39 1.77 -0.53 -0.67 3.76 -1.26 -4.68 115.29 120.06 2ddi s HIS 65 Ca 1.02 0.69 -0.05 0.00 -0.15 0.00 0.00 55.06 56.57 2ddi s HIS 65 Cb -0.70 -4.11 -0.18 0.00 1.11 0.00 0.00 32.58 28.70 2ddi s HIS 65 CO 0.48 -2.79 1.25 1.58 -0.85 0.00 0.00 174.74 174.41 2ddi n HIS 66 N 10.92 0.00 0.00 1.40 -0.00 -1.26 -4.49 115.22 121.79 2ddi n HIS 66 Ca 0.23 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.41 2ddi n HIS 66 Cb 0.48 -0.32 0.00 0.00 -0.12 0.00 0.00 29.99 30.03 2ddi n HIS 66 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2ddi n HIS 67 N 3.40 0.00 0.00 1.57 1.44 -1.26 -5.13 115.22 115.24 2ddi n HIS 67 Ca 0.36 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 56.07 2ddi n HIS 67 Cb 0.13 0.00 0.00 0.00 0.12 0.00 0.00 29.99 30.24 2ddi n HIS 67 CO 0.00 0.00 0.00 1.58 -2.81 0.00 0.00 176.34 175.11 2ddi n HIS 68 N 0.00 0.00 -1.65 -1.40 -0.00 -1.26 -5.12 115.22 105.79 2ddi n HIS 68 Ca 0.00 0.00 -0.47 0.00 0.46 0.00 0.00 57.72 57.71 2ddi n HIS 68 Cb 0.00 0.00 -0.05 0.00 -0.12 0.00 0.00 29.99 29.82 2ddi n HIS 68 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2ddi n HIS 69 N 0.00 2.07 0.00 1.57 -0.00 -1.26 -5.03 115.22 112.57 2ddi n HIS 69 Ca 0.00 0.37 0.00 0.00 0.46 0.00 0.00 57.72 58.55 2ddi n HIS 69 Cb 0.00 -2.48 0.00 0.00 -0.12 0.00 0.00 29.99 27.39 2ddi n HIS 69 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38