#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr h SER 2 N 0.00 0.00 -4.30 1.61 0.02 -2.05 -3.44 113.55 105.38 2dkr h SER 2 Ca 0.00 -0.85 -0.51 0.00 -0.84 0.00 0.00 61.79 59.58 2dkr h SER 2 Cb 0.00 -0.00 0.13 0.00 0.14 0.00 0.00 62.40 62.67 2dkr h SER 2 CO 0.00 1.15 0.32 -0.44 -1.14 0.00 0.00 176.83 176.72 2dkr s SER 3 N -6.41 4.56 0.00 3.07 0.01 -1.26 -3.51 113.70 110.16 2dkr s SER 3 Ca -0.22 1.84 0.00 0.00 1.31 0.00 0.00 55.95 58.88 2dkr s SER 3 Cb -0.00 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 63.70 2dkr s SER 3 CO 0.66 -2.00 0.00 0.61 0.41 0.00 0.00 173.24 172.93 2dkr n GLY 4 N -1.16 2.12 0.24 3.44 0.00 -1.26 -4.81 105.19 103.77 2dkr n GLY 4 Ca 0.09 -0.21 -0.09 0.00 0.00 0.00 0.00 46.02 45.81 2dkr n GLY 4 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2dkr h SER 5 N 0.00 -0.50 -3.37 1.61 0.87 -1.85 -3.43 113.55 106.88 2dkr h SER 5 Ca 0.00 0.02 -0.41 0.00 -1.23 0.00 0.00 61.79 60.17 2dkr h SER 5 Cb 0.00 0.13 0.20 0.00 -0.44 0.00 0.00 62.40 62.29 2dkr h SER 5 CO 0.00 -0.29 0.05 -0.44 -0.53 0.00 0.00 176.83 175.61 2dkr s SER 6 N -3.42 0.47 -0.65 6.23 0.01 -1.26 -4.78 113.70 110.29 2dkr s SER 6 Ca -0.09 0.85 -0.26 0.00 1.31 0.00 0.00 55.95 57.76 2dkr s SER 6 Cb 0.01 -1.23 -0.12 0.00 0.21 0.00 0.00 66.02 64.89 2dkr s SER 6 CO 0.26 -4.42 2.45 0.61 0.41 0.00 0.00 173.24 172.54 2dkr n GLY 7 N -0.07 -0.02 3.33 3.44 0.00 -1.23 -4.90 105.19 105.75 2dkr n GLY 7 Ca 0.11 0.62 -0.37 0.00 0.00 0.00 0.00 46.02 46.38 2dkr n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 8 N 11.78 3.86 -0.25 1.61 1.01 -1.26 -0.50 120.40 136.64 2dkr s VAL 8 Ca 1.04 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 62.17 2dkr s VAL 8 Cb -0.35 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.98 2dkr s VAL 8 CO 0.27 0.07 0.13 -0.69 0.00 0.00 0.00 175.10 174.88 2dkr s VAL 9 N 1.48 4.97 -0.34 2.92 1.01 -0.61 -4.97 120.40 124.85 2dkr s VAL 9 Ca 0.02 0.05 -0.09 0.00 0.00 0.00 0.00 61.98 61.96 2dkr s VAL 9 Cb -0.17 -3.33 0.02 0.00 0.00 0.00 0.00 36.38 32.90 2dkr s VAL 9 CO 0.02 0.33 0.15 -0.70 0.00 0.00 0.00 175.10 174.89 2dkr s GLU 10 N 1.37 2.93 0.05 2.72 -6.30 -1.26 -0.52 118.70 117.69 2dkr s GLU 10 Ca 0.06 -0.99 0.07 0.00 -2.50 0.00 0.00 54.97 51.62 2dkr s GLU 10 Cb -0.15 -3.57 -0.03 0.00 0.00 0.00 0.00 34.13 30.38 2dkr s GLU 10 CO 0.06 -0.58 -0.17 -0.51 0.02 0.00 0.00 175.26 174.08 2dkr s LEU 11 N 1.52 2.68 0.23 2.70 1.43 -0.64 -4.98 118.68 121.63 2dkr s LEU 11 Ca 0.02 -0.41 -0.30 0.00 -1.03 0.00 0.00 54.13 52.41 2dkr s LEU 11 Cb -0.18 -1.56 -0.09 0.00 0.03 0.00 0.00 46.19 44.39 2dkr s LEU 11 CO 0.05 0.25 1.28 -2.16 0.23 0.00 0.00 176.35 176.00 2dkr s PRO 12 N -1.51 4.41 -0.37 1.29 0.04 -1.26 -0.85 135.00 136.74 2dkr s PRO 12 Ca 0.15 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 62.96 2dkr s PRO 12 Cb -0.11 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.28 2dkr s PRO 12 CO 0.06 -0.18 1.23 0.21 0.04 0.00 0.00 177.00 178.35 2dkr s LYS 13 N -0.59 3.84 -0.14 4.56 2.47 -0.33 -4.81 119.74 124.74 2dkr s LYS 13 Ca 0.54 0.97 -0.04 0.00 -1.56 0.00 0.00 55.97 55.88 2dkr s LYS 13 Cb -0.36 -3.88 0.05 0.00 -1.46 0.00 0.00 37.83 32.18 2dkr s LYS 13 CO 0.41 -1.22 0.08 0.95 0.16 0.00 0.00 175.35 175.73 2dkr s THR 14 N 4.41 -0.04 0.42 3.43 -4.23 -1.26 -4.57 115.64 113.81 2dkr s THR 14 Ca 0.52 -0.06 0.33 0.00 -1.18 0.00 0.00 61.69 61.30 2dkr s THR 14 Cb -0.13 -0.52 0.50 0.00 1.34 0.00 0.00 72.50 73.70 2dkr s THR 14 CO 0.25 -0.17 1.41 -0.67 -0.54 0.00 0.00 174.62 174.90 2dkr n ASP 15 N 5.26 0.15 -0.29 3.99 2.03 -1.26 0.55 116.55 126.99 2dkr n ASP 15 Ca -0.06 1.18 0.09 0.00 0.52 0.00 0.00 54.79 56.52 2dkr n ASP 15 Cb 0.49 -0.58 0.23 0.00 -0.72 0.00 0.00 41.12 40.54 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2dkr h GLU 16 N 0.00 0.11 0.00 -0.67 4.57 -2.00 -3.47 114.58 113.13 2dkr h GLU 16 Ca 0.80 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.98 2dkr h GLU 16 Cb 2.74 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 31.30 2dkr h GLU 16 CO -0.34 0.08 0.00 0.41 -1.18 0.00 0.00 179.01 177.98 2dkr n GLY 17 N -1.42 3.94 0.13 1.92 0.00 0.19 -5.01 105.19 104.94 2dkr n GLY 17 Ca 0.18 -1.56 -0.23 0.00 0.00 0.00 0.00 46.02 44.41 2dkr n GLY 17 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2dkr n LEU 18 N 0.00 2.43 0.00 0.99 7.99 -1.26 -4.57 117.00 122.57 2dkr n LEU 18 Ca 0.00 0.17 0.00 0.00 -0.01 0.00 0.00 56.01 56.17 2dkr n LEU 18 Cb 0.00 -0.95 0.00 0.00 -0.11 0.00 0.00 43.42 42.36 2dkr n LEU 18 CO 0.00 0.70 0.00 0.61 -1.51 0.00 0.00 177.39 177.19 2dkr n GLY 19 N 1.78 1.17 3.18 -0.72 0.00 -1.26 0.01 105.19 109.35 2dkr n GLY 19 Ca -0.43 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.49 2dkr n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dkr s PHE 20 N -2.00 0.01 0.06 1.61 -0.71 -1.26 -1.48 117.98 114.20 2dkr s PHE 20 Ca 0.00 -0.18 0.06 0.00 -1.04 0.00 0.00 56.93 55.77 2dkr s PHE 20 Cb 0.00 -0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2dkr s PHE 20 CO 0.00 -0.41 -0.17 -0.80 -1.34 0.00 0.00 175.22 172.50 2dkr s ASN 21 N -1.91 2.02 -0.02 1.98 -0.87 0.63 -4.95 114.94 111.82 2dkr s ASN 21 Ca -0.07 -0.54 -0.00 0.00 -1.57 0.00 0.00 52.86 50.68 2dkr s ASN 21 Cb -0.02 -0.13 0.03 0.00 -0.02 0.00 0.00 41.25 41.11 2dkr s ASN 21 CO -0.02 0.05 0.04 0.27 -2.57 0.00 0.00 177.10 174.87 2dkr s ILE 22 N -0.95 -0.06 0.31 0.60 -4.36 -1.26 -0.17 121.20 115.32 2dkr s ILE 22 Ca 0.03 0.20 0.11 0.00 -0.26 0.00 0.00 60.65 60.74 2dkr s ILE 22 Cb -0.09 -0.09 -0.06 0.00 1.25 0.00 0.00 42.46 43.48 2dkr s ILE 22 CO 0.02 0.08 -0.15 0.00 0.24 0.00 0.00 174.94 175.14 2dkr s MET 23 N 1.02 1.74 0.00 0.37 0.23 -1.24 -4.90 119.30 116.52 2dkr s MET 23 Ca -0.08 -1.85 0.00 0.00 -1.03 0.00 0.00 55.69 52.73 2dkr s MET 23 Cb -0.12 -1.73 0.00 0.00 -1.53 0.00 0.00 34.83 31.45 2dkr s MET 23 CO -0.03 0.24 0.00 0.41 -2.03 0.00 0.00 175.02 173.61 2dkr n GLY 24 N -0.70 -2.12 0.00 3.16 0.00 -1.26 -4.22 105.19 100.04 2dkr n GLY 24 Ca -0.05 -1.49 0.00 0.00 0.00 0.00 0.00 46.02 44.48 2dkr n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 25 N -2.24 -1.23 0.35 -0.02 0.00 -1.02 -4.72 105.19 96.31 2dkr n GLY 25 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.11 2dkr n GLY 25 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2dkr h LYS 26 N 0.00 1.02 -0.68 1.61 1.79 -1.74 0.15 116.57 118.72 2dkr h LYS 26 Ca 0.00 -0.06 0.10 0.00 -2.18 0.00 0.00 60.65 58.50 2dkr h LYS 26 Cb 0.00 -0.23 -0.04 0.00 -1.58 0.00 0.00 32.23 30.38 2dkr h LYS 26 CO 0.00 0.68 0.45 1.05 -1.08 0.00 0.00 179.45 180.55 2dkr h GLU 27 N 1.05 0.53 -0.70 3.15 -0.00 -1.92 0.13 114.58 116.83 2dkr h GLU 27 Ca 0.28 -0.03 0.00 0.00 -0.00 0.00 0.00 59.36 59.61 2dkr h GLU 27 Cb -0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 28.75 28.51 2dkr h GLU 27 CO -0.06 0.35 0.00 1.04 -0.00 0.00 0.00 179.01 180.34 2dkr n GLN 28 N -4.48 3.23 -3.74 1.06 1.13 -0.66 -4.93 117.38 108.98 2dkr n GLN 28 Ca 0.11 -2.75 -0.27 0.00 -1.94 0.00 0.00 57.00 52.16 2dkr n GLN 28 Cb 0.35 -1.74 0.06 0.00 0.11 0.00 0.00 30.24 29.01 2dkr n GLN 28 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 2dkr n ASN 29 N 1.38 -5.65 -3.94 1.08 5.15 0.45 -4.87 115.26 108.87 2dkr n ASN 29 Ca 0.25 -0.65 -0.12 0.00 -0.60 0.00 0.00 54.58 53.46 2dkr n ASN 29 Cb 0.76 -4.53 -0.13 0.00 -0.53 0.00 0.00 39.78 35.35 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2dkr s SER 30 N -3.33 0.31 0.83 1.20 0.01 0.43 -4.99 113.70 108.16 2dkr s SER 30 Ca 0.62 -0.23 -0.11 0.00 1.31 0.00 0.00 55.95 57.54 2dkr s SER 30 Cb -0.29 0.02 0.09 0.00 0.21 0.00 0.00 66.02 66.05 2dkr s SER 30 CO 0.77 -0.10 1.09 -2.16 0.41 0.00 0.00 173.24 173.26 2dkr s PRO 31 N -0.63 1.80 -0.13 12.44 0.04 -1.26 -2.43 135.00 144.83 2dkr s PRO 31 Ca -0.05 1.02 -0.19 0.00 0.04 0.00 0.00 61.00 61.82 2dkr s PRO 31 Cb -0.04 -1.86 -0.04 0.00 0.04 0.00 0.00 34.50 32.60 2dkr s PRO 31 CO -0.00 -1.92 0.51 0.42 0.04 0.00 0.00 177.00 176.05 2dkr s ILE 32 N -2.92 5.16 0.30 0.56 1.01 -1.26 -4.37 121.20 119.68 2dkr s ILE 32 Ca 0.62 1.01 -0.01 0.00 0.00 0.00 0.00 60.65 62.27 2dkr s ILE 32 Cb -0.18 -3.85 -0.01 0.00 0.01 0.00 0.00 42.46 38.43 2dkr s ILE 32 CO 0.56 0.29 0.36 -0.72 0.00 0.00 0.00 174.94 175.44 2dkr s TYR 33 N 0.81 1.14 -0.48 3.97 1.13 -1.26 0.51 117.35 123.17 2dkr s TYR 33 Ca 0.27 -1.32 -0.24 0.00 -1.41 0.00 0.00 57.07 54.37 2dkr s TYR 33 Cb -0.15 -0.29 0.03 0.00 -1.10 0.00 0.00 41.96 40.45 2dkr s TYR 33 CO 0.11 -0.96 0.89 0.42 -2.51 0.00 0.00 175.55 173.50 2dkr s ILE 34 N -3.50 4.51 -0.09 -3.49 -1.09 -1.07 -3.71 121.20 112.76 2dkr s ILE 34 Ca 0.33 0.55 -0.21 0.00 -2.23 0.00 0.00 60.65 59.10 2dkr s ILE 34 Cb 0.02 -4.42 -0.17 0.00 -1.58 0.00 0.00 42.46 36.30 2dkr s ILE 34 CO 0.19 -0.86 0.71 0.77 -1.23 0.00 0.00 174.94 174.51 2dkr h SER 35 N 9.10 -0.07 -4.89 3.58 4.64 -0.91 -2.28 113.55 122.74 2dkr h SER 35 Ca -0.25 -0.55 -0.21 0.00 -0.47 0.00 0.00 61.79 60.31 2dkr h SER 35 Cb 1.08 0.02 -0.20 0.00 -0.31 0.00 0.00 62.40 62.99 2dkr h SER 35 CO 1.02 0.65 -0.71 -0.60 -0.87 0.00 0.00 176.83 176.32 2dkr s ARG 36 N -2.69 0.49 -0.10 4.77 3.52 -1.21 -4.88 118.95 118.85 2dkr s ARG 36 Ca -0.13 -0.83 0.02 0.00 -0.13 0.00 0.00 55.73 54.66 2dkr s ARG 36 Cb -0.01 -0.07 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 2dkr s ARG 36 CO 0.49 -0.02 -0.17 0.08 -0.81 0.00 0.00 175.30 174.87 2dkr s VAL 37 N -2.00 1.58 0.01 7.11 1.01 -1.26 -0.27 120.40 126.58 2dkr s VAL 37 Ca -0.07 -0.71 -0.30 0.00 0.00 0.00 0.00 61.98 60.89 2dkr s VAL 37 Cb -0.06 -1.42 -0.07 0.00 0.00 0.00 0.00 36.38 34.83 2dkr s VAL 37 CO -0.02 0.46 1.69 -0.63 0.00 0.00 0.00 175.10 176.60 2dkr s ILE 38 N 0.77 3.29 -2.00 2.22 -1.09 -0.55 -4.85 121.20 118.99 2dkr s ILE 38 Ca -0.11 0.53 0.11 0.00 -2.23 0.00 0.00 60.65 58.95 2dkr s ILE 38 Cb -0.16 -3.34 0.30 0.00 -1.58 0.00 0.00 42.46 37.68 2dkr s ILE 38 CO 0.02 -0.03 1.07 -0.81 -1.23 0.00 0.00 174.94 173.96 2dkr n PRO 39 N 6.55 0.49 -2.76 2.79 -0.04 -1.26 -3.40 135.00 137.36 2dkr n PRO 39 Ca 0.17 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.54 2dkr n PRO 39 Cb 0.42 -1.34 0.08 0.00 -0.04 0.00 0.00 33.50 32.61 2dkr n PRO 39 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2dkr n GLY 40 N -0.02 1.41 0.00 0.55 0.00 -1.26 -4.98 105.19 100.90 2dkr n GLY 40 Ca 0.08 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2dkr n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 41 N -0.10 6.13 0.14 -0.02 0.00 -1.22 -5.05 105.19 105.07 2dkr n GLY 41 Ca 0.05 -1.76 -0.22 0.00 0.00 0.00 0.00 46.02 44.09 2dkr n GLY 41 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 2dkr h VAL 42 N 0.00 0.66 -0.65 1.61 2.07 -1.05 -3.30 116.25 115.59 2dkr h VAL 42 Ca 0.00 -2.34 -0.07 0.00 0.82 0.00 0.00 66.70 65.10 2dkr h VAL 42 Cb 0.00 2.51 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2dkr h VAL 42 CO 0.00 0.87 0.11 0.00 0.02 0.00 0.00 177.57 178.57 2dkr h ALA 43 N 0.04 0.97 0.47 1.67 0.00 -0.67 -2.07 119.26 119.67 2dkr h ALA 43 Ca -0.41 -0.26 -0.02 0.00 0.00 0.00 0.00 54.91 54.21 2dkr h ALA 43 Cb 1.99 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 19.54 2dkr h ALA 43 CO 0.08 0.65 -0.23 0.22 0.00 0.00 0.00 179.25 179.97 2dkr h ASP 44 N 0.99 -0.54 -0.04 0.00 3.58 -1.78 0.29 116.42 118.93 2dkr h ASP 44 Ca 0.20 0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.68 2dkr h ASP 44 Cb 0.42 0.14 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 2dkr h ASP 44 CO 0.01 -0.37 -0.39 0.03 -2.88 0.00 0.00 179.24 175.64 2dkr h ARG 45 N -0.67 -0.45 -0.50 0.28 3.08 -1.63 -2.23 114.38 112.26 2dkr h ARG 45 Ca -0.06 0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.11 2dkr h ARG 45 Cb 0.49 0.10 -0.09 0.00 0.08 0.00 0.00 29.97 30.55 2dkr h ARG 45 CO 0.11 -0.30 -0.04 1.25 -1.07 0.00 0.00 179.97 179.91 2dkr h HIS 46 N -0.47 -0.11 0.00 3.04 2.76 -1.46 -3.48 115.15 115.43 2dkr h HIS 46 Ca 0.01 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.22 2dkr h HIS 46 Cb 0.52 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.60 2dkr h HIS 46 CO -0.50 -0.15 0.00 0.41 -1.30 0.00 0.00 177.93 176.39 2dkr n GLY 47 N -1.33 -1.80 2.54 5.26 0.00 0.10 -4.98 105.19 104.99 2dkr n GLY 47 Ca 0.05 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 44.25 2dkr n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2dkr n GLY 48 N 0.00 2.13 3.67 -0.02 0.00 -1.26 -4.85 105.19 104.86 2dkr n GLY 48 Ca 0.00 -0.19 -0.29 0.00 0.00 0.00 0.00 46.02 45.54 2dkr n GLY 48 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2dkr s LEU 49 N 0.00 3.36 -0.00 0.99 1.43 -1.26 -4.92 118.68 118.28 2dkr s LEU 49 Ca 0.00 -0.27 -0.29 0.00 -1.03 0.00 0.00 54.13 52.54 2dkr s LEU 49 Cb 0.00 -2.08 0.10 0.00 0.03 0.00 0.00 46.19 44.24 2dkr s LEU 49 CO 0.00 0.15 0.91 -1.59 0.23 0.00 0.00 176.35 176.05 2dkr s LYS 50 N -2.48 0.82 -0.05 1.70 -2.85 -1.26 -4.86 119.74 110.77 2dkr s LYS 50 Ca 0.26 -0.32 -0.36 0.00 -1.00 0.00 0.00 55.97 54.55 2dkr s LYS 50 Cb -0.11 0.37 -0.14 0.00 -2.06 0.00 0.00 37.83 35.89 2dkr s LYS 50 CO 0.18 -0.36 1.72 -2.13 0.10 0.00 0.00 175.35 174.86 2dkr n ARG 51 N -0.26 1.86 0.00 1.78 0.63 -1.26 -1.95 116.66 117.46 2dkr n ARG 51 Ca -0.08 0.68 0.00 0.00 -0.92 0.00 0.00 57.85 57.53 2dkr n ARG 51 Cb 0.62 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.08 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 3.91 3.08 3.54 5.14 0.00 -0.86 -4.96 105.19 115.05 2dkr n GLY 52 Ca 0.22 -1.11 -0.48 0.00 0.00 0.00 0.00 46.02 44.64 2dkr n GLY 52 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2dkr n ASP 53 N 0.12 2.71 -4.71 1.61 8.00 -0.82 -4.53 116.55 118.92 2dkr n ASP 53 Ca 0.00 0.46 -0.42 0.00 0.71 0.00 0.00 54.79 55.55 2dkr n ASP 53 Cb 0.00 -1.37 -0.03 0.00 -0.02 0.00 0.00 41.12 39.70 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 -0.39 0.00 0.00 177.20 175.23 2dkr s GLN 54 N 5.82 4.51 -0.25 -1.24 0.74 -1.26 -2.59 119.66 125.40 2dkr s GLN 54 Ca 1.04 1.57 -0.29 0.00 0.05 0.00 0.00 55.36 57.73 2dkr s GLN 54 Cb -0.68 -3.41 -0.02 0.00 1.10 0.00 0.00 33.01 30.00 2dkr s GLN 54 CO 0.46 -0.12 1.63 -1.17 -0.55 0.00 0.00 175.29 175.54 2dkr s LEU 55 N 0.97 3.82 -0.19 3.68 2.96 0.18 -2.38 118.68 127.72 2dkr s LEU 55 Ca 0.54 1.53 -0.22 0.00 -0.22 0.00 0.00 54.13 55.77 2dkr s LEU 55 Cb -0.25 -3.53 -0.19 0.00 0.50 0.00 0.00 46.19 42.72 2dkr s LEU 55 CO 0.29 -1.33 0.30 -0.07 -1.32 0.00 0.00 176.35 174.22 2dkr h LEU 56 N 12.01 0.00 -7.09 -0.68 3.38 -0.84 -3.39 115.31 118.70 2dkr h LEU 56 Ca -0.33 -0.57 -0.05 0.00 0.09 0.00 0.00 57.88 57.02 2dkr h LEU 56 Cb 1.15 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 41.74 2dkr h LEU 56 CO 1.01 1.31 0.12 -0.94 0.09 0.00 0.00 178.44 180.04 2dkr s SER 57 N -6.61 -0.55 -0.03 -0.43 1.04 -1.16 -2.94 113.70 103.02 2dkr s SER 57 Ca -0.25 0.37 0.04 0.00 0.48 0.00 0.00 55.95 56.58 2dkr s SER 57 Cb 0.04 0.53 -0.00 0.00 0.10 0.00 0.00 66.02 66.68 2dkr s SER 57 CO 0.57 -0.71 -0.14 -0.69 0.98 0.00 0.00 173.24 173.25 2dkr s VAL 58 N -2.13 1.13 -1.26 5.02 1.01 -0.47 -0.07 120.40 123.63 2dkr s VAL 58 Ca -0.07 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.28 2dkr s VAL 58 Cb -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 36.38 35.44 2dkr s VAL 58 CO 0.01 0.33 0.33 0.59 0.00 0.00 0.00 175.10 176.36 2dkr n ASN 59 N 3.02 -4.23 -1.23 3.32 4.13 -0.42 -0.26 115.26 119.58 2dkr n ASN 59 Ca -0.17 -0.16 -0.10 0.00 1.68 0.00 0.00 54.58 55.84 2dkr n ASN 59 Cb 0.54 -3.51 0.00 0.00 -1.54 0.00 0.00 39.78 35.27 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 2dkr n GLY 60 N -1.10 0.01 3.00 7.41 0.00 -1.26 -5.01 105.19 108.24 2dkr n GLY 60 Ca -0.08 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.25 2dkr n GLY 60 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2dkr s VAL 61 N -2.58 1.08 -0.11 1.61 1.01 0.64 -5.10 120.40 116.94 2dkr s VAL 61 Ca 0.04 -0.43 -0.29 0.00 0.00 0.00 0.00 61.98 61.30 2dkr s VAL 61 Cb -0.02 -1.01 -0.06 0.00 0.00 0.00 0.00 36.38 35.30 2dkr s VAL 61 CO 0.05 0.35 1.85 -0.94 0.00 0.00 0.00 175.10 176.41 2dkr s SER 62 N 0.83 6.27 -0.15 3.32 1.04 -1.26 -1.37 113.70 122.39 2dkr s SER 62 Ca -0.12 2.11 0.09 0.00 0.48 0.00 0.00 55.95 58.52 2dkr s SER 62 Cb -0.15 -2.53 -0.15 0.00 0.10 0.00 0.00 66.02 63.29 2dkr s SER 62 CO 0.02 -1.27 -0.02 1.33 0.98 0.00 0.00 173.24 174.28 2dkr n VAL 63 N 6.23 0.99 -0.32 5.02 0.24 -1.17 -4.54 118.33 124.78 2dkr n VAL 63 Ca 0.21 -0.53 0.27 0.00 -2.04 0.00 0.00 64.34 62.25 2dkr n VAL 63 Cb 0.43 -0.80 0.51 0.00 -1.47 0.00 0.00 33.84 32.51 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dkr n GLU 64 N -2.69 -0.06 -1.59 7.34 -0.58 -1.15 0.12 120.64 122.03 2dkr n GLU 64 Ca -0.26 1.37 -0.35 0.00 -0.42 0.00 0.00 57.16 57.50 2dkr n GLU 64 Cb 0.92 -2.39 0.06 0.00 -0.57 0.00 0.00 31.44 29.46 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 65 N -1.31 5.85 3.23 0.62 0.00 -1.26 -4.91 105.19 107.42 2dkr n GLY 65 Ca 0.34 -2.40 -0.09 0.00 0.00 0.00 0.00 46.02 43.86 2dkr n GLY 65 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dkr s GLU 66 N -3.86 0.89 0.53 1.61 0.41 0.33 -5.13 118.70 113.48 2dkr s GLU 66 Ca 0.60 -0.85 -0.22 0.00 -0.41 0.00 0.00 54.97 54.09 2dkr s GLU 66 Cb 0.48 0.37 -0.06 0.00 -1.78 0.00 0.00 34.13 33.14 2dkr s GLU 66 CO -0.11 -0.30 1.16 1.04 -0.49 0.00 0.00 175.26 176.56 2dkr n GLN 67 N -0.02 1.40 -0.15 1.61 3.00 -1.26 -4.30 117.38 117.66 2dkr n GLN 67 Ca -0.16 0.52 -0.03 0.00 -0.01 0.00 0.00 57.00 57.32 2dkr n GLN 67 Cb 0.62 -2.33 0.04 0.00 0.00 0.00 0.00 30.24 28.57 2dkr n GLN 67 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.06 178.31 2dkr h HIS 68 N 1.22 -0.19 -0.73 1.08 -0.00 -1.92 -1.90 115.15 112.71 2dkr h HIS 68 Ca -0.49 0.04 0.13 0.00 -0.00 0.00 0.00 60.37 60.05 2dkr h HIS 68 Cb 1.33 0.16 -0.13 0.00 -0.00 0.00 0.00 27.41 28.77 2dkr h HIS 68 CO 0.43 -0.18 -0.33 0.93 -0.00 0.00 0.00 177.93 178.78 2dkr h GLU 69 N 0.03 -0.09 -0.80 5.26 4.39 -1.93 0.22 114.58 121.65 2dkr h GLU 69 Ca 0.23 0.01 0.31 0.00 0.34 0.00 0.00 59.36 60.25 2dkr h GLU 69 Cb 0.36 0.02 -0.15 0.00 -0.10 0.00 0.00 28.75 28.88 2dkr h GLU 69 CO -0.47 -0.06 0.34 1.17 -1.16 0.00 0.00 179.01 178.83 2dkr n LYS 70 N -5.46 -0.05 0.16 2.33 3.00 -0.72 0.11 118.16 117.54 2dkr n LYS 70 Ca 0.07 1.13 -0.14 0.00 -0.00 0.00 0.00 58.31 59.36 2dkr n LYS 70 Cb 0.37 -1.97 -0.08 0.00 0.00 0.00 0.00 35.03 33.35 2dkr n LYS 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2dkr h ALA 71 N 1.60 -0.36 0.52 3.14 0.00 -0.65 -1.80 119.26 121.72 2dkr h ALA 71 Ca 0.64 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.41 2dkr h ALA 71 Cb 1.63 0.14 0.00 0.00 0.00 0.00 0.00 17.79 19.56 2dkr h ALA 71 CO -0.65 -0.65 -0.29 0.28 0.00 0.00 0.00 179.25 177.94 2dkr h VAL 72 N -0.45 0.00 -0.97 0.00 2.07 0.83 -2.50 116.25 115.22 2dkr h VAL 72 Ca -0.04 0.00 0.32 0.00 0.82 0.00 0.00 66.70 67.80 2dkr h VAL 72 Cb 0.34 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.95 2dkr h VAL 72 CO 0.06 0.00 0.40 1.05 0.02 0.00 0.00 177.57 179.09 2dkr h GLU 73 N -0.75 0.16 0.14 1.57 4.11 -1.31 0.18 114.58 118.68 2dkr h GLU 73 Ca -0.07 -0.01 0.01 0.00 0.07 0.00 0.00 59.36 59.36 2dkr h GLU 73 Cb 0.59 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 2dkr h GLU 73 CO 0.10 0.10 -0.22 -0.07 0.07 0.00 0.00 179.01 178.99 2dkr h LEU 74 N 0.16 -0.62 -0.24 3.06 3.38 -1.08 0.26 115.31 120.23 2dkr h LEU 74 Ca 0.70 0.07 0.06 0.00 0.09 0.00 0.00 57.88 58.80 2dkr h LEU 74 Cb 1.62 0.23 -0.07 0.00 0.09 0.00 0.00 40.66 42.53 2dkr h LEU 74 CO -0.71 -0.32 -0.27 -0.07 0.09 0.00 0.00 178.44 177.16 2dkr h LEU 75 N -0.43 -0.88 -0.84 1.67 3.38 -0.23 0.35 115.31 118.33 2dkr h LEU 75 Ca 0.02 0.15 0.00 0.00 0.09 0.00 0.00 57.88 58.14 2dkr h LEU 75 Cb 0.44 0.40 -0.04 0.00 0.09 0.00 0.00 40.66 41.55 2dkr h LEU 75 CO -0.11 -0.31 0.54 0.11 0.09 0.00 0.00 178.44 178.76 2dkr h LYS 76 N -0.29 1.12 -0.81 1.13 1.57 -1.21 -2.43 116.57 115.66 2dkr h LYS 76 Ca 0.13 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 2dkr h LYS 76 Cb 0.49 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.52 2dkr h LYS 76 CO -0.40 0.76 0.35 0.00 -0.57 0.00 0.00 179.45 179.59 2dkr h ALA 77 N 1.29 1.09 -1.91 3.86 0.00 0.65 -3.44 119.26 120.81 2dkr h ALA 77 Ca 0.31 -0.18 -0.44 0.00 0.00 0.00 0.00 54.91 54.59 2dkr h ALA 77 Cb -0.09 -0.32 0.23 0.00 0.00 0.00 0.00 17.79 17.60 2dkr h ALA 77 CO -0.06 0.66 -0.52 0.00 0.00 0.00 0.00 179.25 179.33 2dkr n ALA 78 N -2.43 -3.64 -3.26 0.00 0.00 0.11 -5.05 120.51 106.24 2dkr n ALA 78 Ca 0.08 -1.29 -0.14 0.00 0.00 0.00 0.00 53.44 52.09 2dkr n ALA 78 Cb 0.17 -1.76 -0.08 0.00 0.00 0.00 0.00 19.45 17.78 2dkr n ALA 78 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 2dkr s GLN 79 N -3.96 0.69 0.00 0.00 -2.07 -1.26 -4.96 119.66 108.10 2dkr s GLN 79 Ca 0.63 -0.11 0.00 0.00 -1.82 0.00 0.00 55.36 54.05 2dkr s GLN 79 Cb -0.19 0.31 0.00 0.00 -1.09 0.00 0.00 33.01 32.04 2dkr s GLN 79 CO 0.66 -0.19 0.00 0.41 -1.32 0.00 0.00 175.29 174.85 2dkr n GLY 80 N 1.34 1.24 3.51 2.60 0.00 -1.26 -4.74 105.19 107.87 2dkr n GLY 80 Ca -0.21 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.65 2dkr n GLY 80 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 81 N 0.00 -0.54 -0.02 1.61 0.01 -1.26 -1.18 113.70 112.32 2dkr s SER 81 Ca 0.00 0.39 0.05 0.00 1.31 0.00 0.00 55.95 57.70 2dkr s SER 81 Cb 0.00 0.48 -0.01 0.00 0.21 0.00 0.00 66.02 66.70 2dkr s SER 81 CO 0.00 -0.64 -0.16 0.68 0.41 0.00 0.00 173.24 173.53 2dkr s VAL 82 N -2.04 1.30 -0.40 3.43 -7.23 -0.03 -4.78 120.40 110.66 2dkr s VAL 82 Ca -0.04 -0.69 -0.10 0.00 -1.81 0.00 0.00 61.98 59.33 2dkr s VAL 82 Cb -0.00 -1.09 0.05 0.00 0.56 0.00 0.00 36.38 35.90 2dkr s VAL 82 CO 0.00 0.37 0.24 -0.54 -0.31 0.00 0.00 175.10 174.87 2dkr s LYS 83 N -0.29 2.73 -0.39 4.82 1.02 -1.26 -1.61 119.74 124.75 2dkr s LYS 83 Ca 0.04 -1.27 -0.15 0.00 0.02 0.00 0.00 55.97 54.61 2dkr s LYS 83 Cb -0.07 -3.78 0.01 0.00 -0.52 0.00 0.00 37.83 33.47 2dkr s LYS 83 CO -0.00 -0.84 0.33 -0.51 -0.92 0.00 0.00 175.35 173.42 2dkr s LEU 84 N 1.50 4.87 -0.05 3.17 1.43 0.32 -1.30 118.68 128.62 2dkr s LEU 84 Ca 0.02 -0.69 -0.23 0.00 -1.03 0.00 0.00 54.13 52.20 2dkr s LEU 84 Cb -0.21 -2.24 -0.04 0.00 0.03 0.00 0.00 46.19 43.73 2dkr s LEU 84 CO 0.05 -0.44 0.69 -0.69 0.23 0.00 0.00 176.35 176.19 2dkr s VAL 85 N 1.84 5.01 0.23 -1.59 1.01 0.90 -1.58 120.40 126.22 2dkr s VAL 85 Ca 0.08 1.43 0.08 0.00 0.00 0.00 0.00 61.98 63.57 2dkr s VAL 85 Cb -0.18 -4.03 -0.05 0.00 0.00 0.00 0.00 36.38 32.12 2dkr s VAL 85 CO 0.11 0.28 -0.13 0.68 0.00 0.00 0.00 175.10 176.04 2dkr s VAL 86 N 0.62 1.84 -0.29 2.92 -7.23 0.35 -0.14 120.40 118.48 2dkr s VAL 86 Ca 0.37 -2.22 -0.06 0.00 -1.81 0.00 0.00 61.98 58.25 2dkr s VAL 86 Cb -0.18 -2.18 0.01 0.00 0.56 0.00 0.00 36.38 34.59 2dkr s VAL 86 CO 0.18 -0.50 0.07 -0.60 -0.31 0.00 0.00 175.10 173.94 2dkr s ARG 87 N -3.64 3.15 0.31 4.82 3.00 -1.00 -3.46 118.95 122.12 2dkr s ARG 87 Ca 0.25 -0.81 0.07 0.00 -1.00 0.00 0.00 55.73 54.24 2dkr s ARG 87 Cb -0.00 -3.33 -0.06 0.00 0.00 0.00 0.00 34.95 31.55 2dkr s ARG 87 CO 0.09 -0.41 -0.06 -1.12 0.00 0.00 0.00 175.30 173.81 2dkr s SER 88 N 1.50 3.12 0.00 -2.12 0.01 -1.26 -4.26 113.70 110.69 2dkr s SER 88 Ca 0.03 -1.22 0.00 0.00 1.31 0.00 0.00 55.95 56.07 2dkr s SER 88 Cb -0.17 -0.24 0.00 0.00 0.21 0.00 0.00 66.02 65.83 2dkr s SER 88 CO 0.02 -0.32 0.00 0.61 0.41 0.00 0.00 173.24 173.96 2dkr n GLY 89 N -0.68 3.51 3.77 3.44 0.00 -1.26 -4.98 105.19 108.98 2dkr n GLY 89 Ca -0.05 -0.77 -0.38 0.00 0.00 0.00 0.00 46.02 44.82 2dkr n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dkr s PRO 90 N -2.16 3.98 -0.39 1.61 0.04 -1.26 -4.95 135.00 131.87 2dkr s PRO 90 Ca 0.00 1.86 -0.28 0.00 0.04 0.00 0.00 61.00 62.62 2dkr s PRO 90 Cb 0.00 -2.63 -0.01 0.00 0.04 0.00 0.00 34.50 31.90 2dkr s PRO 90 CO 0.00 -0.39 1.63 -1.12 0.04 0.00 0.00 177.00 177.16 2dkr s SER 91 N -1.13 6.04 0.07 6.66 0.01 -1.26 -4.90 113.70 119.18 2dkr s SER 91 Ca 0.58 0.99 -0.34 0.00 1.31 0.00 0.00 55.95 58.50 2dkr s SER 91 Cb -0.31 -2.53 -0.18 0.00 0.21 0.00 0.00 66.02 63.21 2dkr s SER 91 CO 0.39 -1.65 1.52 0.28 0.41 0.00 0.00 173.24 174.19 2dkr h SER 92 N 12.06 -1.17 0.00 2.44 0.02 -2.06 -3.58 113.55 121.26 2dkr h SER 92 Ca -0.30 0.07 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 2dkr h SER 92 Cb 1.14 0.35 0.00 0.00 0.14 0.00 0.00 62.40 64.03 2dkr h SER 92 CO 1.07 -0.69 0.00 0.61 -1.14 0.00 0.00 176.83 176.68