#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 0.04 -0.78 1.61 4.64 -2.09 -3.11 113.55 113.86 2dkr h SER 2 Ca 0.00 -0.32 0.25 0.00 -0.47 0.00 0.00 61.79 61.25 2dkr h SER 2 Cb 0.00 -0.01 -0.14 0.00 -0.31 0.00 0.00 62.40 61.94 2dkr h SER 2 CO 0.00 0.34 0.14 -0.24 -0.87 0.00 0.00 176.83 176.20 2dkr n SER 3 N -4.91 0.02 -3.73 4.97 2.88 -1.26 -2.51 113.62 109.09 2dkr n SER 3 Ca -0.08 1.31 -0.29 0.00 -1.33 0.00 0.00 58.87 58.49 2dkr n SER 3 Cb 0.18 -0.53 -0.12 0.00 -0.75 0.00 0.00 64.21 62.99 2dkr n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dkr s GLY 4 N -4.19 2.06 0.72 0.46 0.00 -1.18 -5.08 107.32 100.11 2dkr s GLY 4 Ca -0.09 -3.03 -0.12 0.00 0.00 0.00 0.00 44.72 41.47 2dkr s GLY 4 CO 0.61 1.47 1.10 -0.56 0.00 0.00 0.00 173.10 175.71 2dkr s SER 5 N -0.36 4.82 0.16 1.64 0.01 -1.04 -4.86 113.70 114.06 2dkr s SER 5 Ca 0.23 1.89 -0.16 0.00 1.31 0.00 0.00 55.95 59.22 2dkr s SER 5 Cb -0.12 -2.53 0.03 0.00 0.21 0.00 0.00 66.02 63.61 2dkr s SER 5 CO -0.10 -1.83 1.81 0.28 0.41 0.00 0.00 173.24 173.82 2dkr h SER 6 N -0.60 0.45 0.00 2.44 0.02 -1.88 -3.46 113.55 110.52 2dkr h SER 6 Ca -0.45 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.49 2dkr h SER 6 Cb 1.24 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 63.67 2dkr h SER 6 CO 0.53 0.32 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 2dkr n GLY 7 N -1.21 -0.30 3.76 -3.77 0.00 -1.25 -4.13 105.19 98.29 2dkr n GLY 7 Ca 0.01 -0.17 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2dkr n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dkr s VAL 8 N 0.00 2.26 -0.27 1.61 0.11 -1.26 -3.56 120.40 119.28 2dkr s VAL 8 Ca 0.00 0.21 -0.02 0.00 -2.93 0.00 0.00 61.98 59.24 2dkr s VAL 8 Cb 0.00 -3.11 0.09 0.00 -1.53 0.00 0.00 36.38 31.82 2dkr s VAL 8 CO 0.00 0.01 0.08 -0.69 -3.33 0.00 0.00 175.10 171.17 2dkr s VAL 9 N -1.29 0.68 -0.24 2.04 1.01 0.12 -4.97 120.40 117.74 2dkr s VAL 9 Ca 0.66 -1.08 -0.19 0.00 0.00 0.00 0.00 61.98 61.36 2dkr s VAL 9 Cb -0.40 -1.41 -0.03 0.00 0.00 0.00 0.00 36.38 34.55 2dkr s VAL 9 CO 0.49 -0.54 0.56 -0.70 0.00 0.00 0.00 175.10 174.91 2dkr s GLU 10 N 1.74 4.12 0.02 2.72 -6.30 -1.26 -1.19 118.70 118.55 2dkr s GLU 10 Ca 0.06 0.44 0.08 0.00 -2.50 0.00 0.00 54.97 53.05 2dkr s GLU 10 Cb -0.17 -3.62 -0.02 0.00 0.00 0.00 0.00 34.13 30.31 2dkr s GLU 10 CO -0.22 -0.31 -0.23 -0.51 0.02 0.00 0.00 175.26 174.01 2dkr s LEU 11 N 2.18 2.12 -0.06 2.70 1.43 -0.99 -5.00 118.68 121.05 2dkr s LEU 11 Ca 0.24 -0.50 -0.30 0.00 -1.03 0.00 0.00 54.13 52.54 2dkr s LEU 11 Cb -0.16 -1.14 -0.05 0.00 0.03 0.00 0.00 46.19 44.88 2dkr s LEU 11 CO 0.09 0.23 1.50 -2.16 0.23 0.00 0.00 176.35 176.25 2dkr s PRO 12 N -0.95 4.22 -0.62 1.29 0.04 -1.26 -2.04 135.00 135.67 2dkr s PRO 12 Ca 0.09 2.02 -0.27 0.00 0.04 0.00 0.00 61.00 62.88 2dkr s PRO 12 Cb -0.09 -3.82 0.00 0.00 0.04 0.00 0.00 34.50 30.64 2dkr s PRO 12 CO 0.01 -0.74 1.55 0.21 0.04 0.00 0.00 177.00 178.07 2dkr s LYS 13 N 3.45 3.03 0.01 4.56 2.47 -1.02 -4.93 119.74 127.31 2dkr s LYS 13 Ca 0.67 0.36 0.01 0.00 -1.56 0.00 0.00 55.97 55.44 2dkr s LYS 13 Cb -0.30 -4.24 -0.01 0.00 -1.46 0.00 0.00 37.83 31.82 2dkr s LYS 13 CO 0.25 -2.28 -0.03 0.95 0.16 0.00 0.00 175.35 174.41 2dkr s THR 14 N 7.09 0.20 0.40 3.43 -4.23 -1.26 -4.47 115.64 116.80 2dkr s THR 14 Ca 0.54 -0.34 0.25 0.00 -1.18 0.00 0.00 61.69 60.96 2dkr s THR 14 Cb -0.11 -0.22 0.41 0.00 1.34 0.00 0.00 72.50 73.93 2dkr s THR 14 CO 0.21 -0.09 1.60 -2.24 -0.54 0.00 0.00 174.62 173.56 2dkr h ASP 15 N 5.68 0.30 -0.96 3.99 3.04 -2.03 0.23 116.42 126.67 2dkr h ASP 15 Ca -0.28 0.20 0.32 0.00 -3.24 0.00 0.00 57.03 54.03 2dkr h ASP 15 Cb 1.20 0.19 -0.18 0.00 -1.04 0.00 0.00 39.33 39.51 2dkr h ASP 15 CO 0.48 -0.29 0.22 -0.62 -2.04 0.00 0.00 179.24 176.99 2dkr n GLU 16 N -4.97 -0.07 0.00 4.15 -0.58 -1.26 -4.89 120.64 113.02 2dkr n GLU 16 Ca 0.37 1.39 0.00 0.00 -0.42 0.00 0.00 57.16 58.50 2dkr n GLU 16 Cb 1.34 -2.31 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 2dkr n GLY 17 N -1.39 2.07 0.11 0.62 0.00 0.80 -4.91 105.19 102.50 2dkr n GLY 17 Ca 0.28 -2.17 -0.12 0.00 0.00 0.00 0.00 46.02 44.01 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 0.77 -0.11 0.99 7.99 -1.26 -4.35 117.00 121.03 2dkr n LEU 18 Ca 0.00 0.02 0.00 0.00 -0.01 0.00 0.00 56.01 56.02 2dkr n LEU 18 Cb 0.00 0.13 0.00 0.00 -0.11 0.00 0.00 43.42 43.44 2dkr n LEU 18 CO 0.00 0.59 0.00 0.61 -1.51 0.00 0.00 177.39 177.08 2dkr n GLY 19 N 1.84 0.91 3.18 -0.72 0.00 -1.26 0.01 105.19 109.15 2dkr n GLY 19 Ca -0.34 -0.57 -0.10 0.00 0.00 0.00 0.00 46.02 45.02 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 -2.22 0.07 0.17 1.61 -0.12 -1.26 -0.65 117.98 115.58 2dkr s PHE 20 Ca 0.00 -0.33 0.05 0.00 -0.05 0.00 0.00 56.93 56.60 2dkr s PHE 20 Cb 0.00 -0.04 -0.05 0.00 -0.63 0.00 0.00 43.02 42.31 2dkr s PHE 20 CO 0.00 -0.45 -0.10 -0.80 -0.05 0.00 0.00 175.22 173.82 2dkr s ASN 21 N -2.22 1.99 0.05 1.98 0.01 -0.31 -4.94 114.94 111.50 2dkr s ASN 21 Ca -0.03 -1.05 -0.03 0.00 -0.71 0.00 0.00 52.86 51.04 2dkr s ASN 21 Cb 0.00 -0.04 -0.03 0.00 0.41 0.00 0.00 41.25 41.60 2dkr s ASN 21 CO -0.05 -0.32 0.03 0.27 -1.51 0.00 0.00 177.10 175.51 2dkr s ILE 22 N -3.26 0.18 -0.23 0.60 -4.36 -1.26 0.76 121.20 113.63 2dkr s ILE 22 Ca 0.20 -1.45 -0.17 0.00 -0.26 0.00 0.00 60.65 58.97 2dkr s ILE 22 Cb 0.02 -1.19 0.07 0.00 1.25 0.00 0.00 42.46 42.61 2dkr s ILE 22 CO 0.03 -0.80 0.59 0.00 0.24 0.00 0.00 174.94 175.01 2dkr s MET 23 N -3.30 0.64 0.00 0.37 0.23 -1.23 -4.72 119.30 111.29 2dkr s MET 23 Ca 0.01 0.95 0.00 0.00 -1.03 0.00 0.00 55.69 55.62 2dkr s MET 23 Cb 0.03 0.21 0.00 0.00 -1.53 0.00 0.00 34.83 33.54 2dkr s MET 23 CO -0.08 -0.12 0.00 0.41 -2.03 0.00 0.00 175.02 173.20 2dkr n GLY 24 N 3.55 2.89 0.00 3.16 0.00 -1.26 -4.48 105.19 109.06 2dkr n GLY 24 Ca -0.18 -1.92 0.00 0.00 0.00 0.00 0.00 46.02 43.93 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 0.09 1.60 0.32 -0.02 0.00 -1.26 -4.66 105.19 101.26 2dkr n GLY 25 Ca 0.00 -0.16 -0.14 0.00 0.00 0.00 0.00 46.02 45.72 2dkr n GLY 25 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 2dkr h LYS 26 N 0.00 -0.72 -0.86 1.61 3.64 -1.85 -1.30 116.57 117.09 2dkr h LYS 26 Ca 0.00 0.05 0.19 0.00 -1.27 0.00 0.00 60.65 59.62 2dkr h LYS 26 Cb 0.00 0.16 -0.16 0.00 -0.41 0.00 0.00 32.23 31.82 2dkr h LYS 26 CO 0.00 -0.42 -0.13 1.05 -2.27 0.00 0.00 179.45 177.69 2dkr h GLU 27 N -1.07 0.02 0.00 1.90 4.11 -1.97 1.46 114.58 119.04 2dkr h GLU 27 Ca -0.08 -0.00 -0.03 0.00 0.07 0.00 0.00 59.36 59.33 2dkr h GLU 27 Cb 0.63 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.88 2dkr h GLU 27 CO 0.13 0.01 -0.12 1.96 0.07 0.00 0.00 179.01 181.06 2dkr h GLN 28 N 0.02 0.00 -5.07 1.06 7.50 -1.95 -3.47 115.11 113.21 2dkr h GLN 28 Ca 0.44 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 59.28 2dkr h GLN 28 Cb 0.75 0.00 0.13 0.00 0.05 0.00 0.00 27.48 28.41 2dkr h GLN 28 CO -0.85 0.12 -0.60 0.09 -1.50 0.00 0.00 178.83 176.09 2dkr n ASN 29 N -3.27 -4.08 -4.16 1.46 4.13 0.50 -4.95 115.26 104.90 2dkr n ASN 29 Ca 0.00 -0.48 -0.10 0.00 1.68 0.00 0.00 54.58 55.68 2dkr n ASN 29 Cb 0.37 -4.35 -0.10 0.00 -1.54 0.00 0.00 39.78 34.17 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2dkr s SER 30 N -3.66 0.92 0.21 6.41 0.01 -1.02 -5.05 113.70 111.52 2dkr s SER 30 Ca 0.28 -1.05 -0.30 0.00 1.31 0.00 0.00 55.95 56.19 2dkr s SER 30 Cb -0.12 0.14 -0.09 0.00 0.21 0.00 0.00 66.02 66.16 2dkr s SER 30 CO 0.61 -0.54 1.30 -2.16 0.41 0.00 0.00 173.24 172.86 2dkr s PRO 31 N -3.89 4.40 0.10 12.44 0.04 -1.26 -4.22 135.00 142.61 2dkr s PRO 31 Ca 0.14 2.05 -0.31 0.00 0.04 0.00 0.00 61.00 62.92 2dkr s PRO 31 Cb 0.06 -3.19 -0.07 0.00 0.04 0.00 0.00 34.50 31.34 2dkr s PRO 31 CO -0.04 -0.23 1.25 0.42 0.04 0.00 0.00 177.00 178.45 2dkr s ILE 32 N 0.01 3.74 0.35 0.56 1.01 -1.26 -4.88 121.20 120.71 2dkr s ILE 32 Ca 0.56 1.28 -0.06 0.00 0.00 0.00 0.00 60.65 62.42 2dkr s ILE 32 Cb -0.36 -3.82 0.02 0.00 0.01 0.00 0.00 42.46 38.30 2dkr s ILE 32 CO 0.39 0.12 0.55 -0.72 0.00 0.00 0.00 174.94 175.28 2dkr s TYR 33 N 0.88 0.78 -0.17 3.97 -0.85 -1.26 -0.29 117.35 120.40 2dkr s TYR 33 Ca 0.59 -1.13 -0.28 0.00 -0.52 0.00 0.00 57.07 55.74 2dkr s TYR 33 Cb -0.32 0.16 -0.01 0.00 0.38 0.00 0.00 41.96 42.18 2dkr s TYR 33 CO 0.31 -1.24 0.95 0.42 -1.52 0.00 0.00 175.55 174.47 2dkr s ILE 34 N -2.93 4.79 -0.08 -3.49 -1.09 -1.02 -3.53 121.20 113.84 2dkr s ILE 34 Ca 0.26 1.88 -0.21 0.00 -2.23 0.00 0.00 60.65 60.35 2dkr s ILE 34 Cb -0.02 -4.24 -0.17 0.00 -1.58 0.00 0.00 42.46 36.45 2dkr s ILE 34 CO 0.17 -0.05 0.74 0.77 -1.23 0.00 0.00 174.94 175.34 2dkr h SER 35 N 7.32 -0.08 -5.14 3.58 4.64 0.06 -1.03 113.55 122.90 2dkr h SER 35 Ca -0.26 -0.51 -0.24 0.00 -0.47 0.00 0.00 61.79 60.30 2dkr h SER 35 Cb 1.11 0.02 -0.15 0.00 -0.31 0.00 0.00 62.40 63.07 2dkr h SER 35 CO 0.89 0.60 -0.64 -0.60 -0.87 0.00 0.00 176.83 176.21 2dkr s ARG 36 N -2.82 1.10 -0.09 4.77 3.52 -1.24 -4.80 118.95 119.39 2dkr s ARG 36 Ca -0.13 -1.55 0.00 0.00 -0.13 0.00 0.00 55.73 53.92 2dkr s ARG 36 Cb -0.01 0.07 0.02 0.00 -1.56 0.00 0.00 34.95 33.48 2dkr s ARG 36 CO 0.48 -0.27 -0.08 0.08 -0.81 0.00 0.00 175.30 174.70 2dkr s VAL 37 N -3.95 0.96 0.00 7.11 1.01 -1.26 -1.16 120.40 123.11 2dkr s VAL 37 Ca 0.30 -0.29 -0.30 0.00 0.00 0.00 0.00 61.98 61.69 2dkr s VAL 37 Cb 0.07 -0.96 -0.07 0.00 0.00 0.00 0.00 36.38 35.43 2dkr s VAL 37 CO 0.07 0.34 1.62 -0.63 0.00 0.00 0.00 175.10 176.50 2dkr s ILE 38 N 1.38 3.38 -2.00 2.22 -1.09 0.17 -4.86 121.20 120.40 2dkr s ILE 38 Ca -0.02 0.66 0.11 0.00 -2.23 0.00 0.00 60.65 59.17 2dkr s ILE 38 Cb -0.14 -3.43 0.31 0.00 -1.58 0.00 0.00 42.46 37.63 2dkr s ILE 38 CO -0.04 -0.03 1.09 -0.81 -1.23 0.00 0.00 174.94 173.92 2dkr n PRO 39 N 6.30 0.49 -2.73 2.79 -0.04 -1.26 -3.29 135.00 137.26 2dkr n PRO 39 Ca 0.16 0.00 -0.09 0.00 -0.04 0.00 0.00 63.50 63.53 2dkr n PRO 39 Cb 0.42 -1.35 0.07 0.00 -0.04 0.00 0.00 33.50 32.59 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 1.54 2.98 0.55 0.00 -1.26 -5.00 105.19 103.98 2dkr n GLY 40 Ca 0.08 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.16 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 -0.22 3.36 0.30 -0.02 0.00 -1.21 -5.01 105.19 102.40 2dkr n GLY 41 Ca 0.05 -2.11 -0.05 0.00 0.00 0.00 0.00 46.02 43.91 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 1.57 1.22 0.17 1.61 2.07 -1.73 -2.75 116.25 118.42 2dkr h VAL 42 Ca -0.29 -0.53 -0.01 0.00 0.82 0.00 0.00 66.70 66.70 2dkr h VAL 42 Cb 1.08 0.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 2dkr h VAL 42 CO 0.46 0.24 -0.11 0.00 0.02 0.00 0.00 177.57 178.18 2dkr h ALA 43 N 1.22 -0.98 -0.99 1.67 0.00 -0.69 0.17 119.26 119.67 2dkr h ALA 43 Ca 0.27 -0.06 0.35 0.00 0.00 0.00 0.00 54.91 55.47 2dkr h ALA 43 Cb 0.01 0.22 -0.18 0.00 0.00 0.00 0.00 17.79 17.84 2dkr h ALA 43 CO -0.05 -0.97 0.32 0.22 0.00 0.00 0.00 179.25 178.77 2dkr h ASP 44 N -0.27 -0.02 0.63 0.00 3.58 -1.74 0.24 116.42 118.84 2dkr h ASP 44 Ca -0.02 0.26 -0.03 0.00 0.42 0.00 0.00 57.03 57.66 2dkr h ASP 44 Cb 0.21 0.36 0.01 0.00 1.72 0.00 0.00 39.33 41.63 2dkr h ASP 44 CO 0.02 -0.38 -0.30 0.03 -2.88 0.00 0.00 179.24 175.73 2dkr h ARG 45 N 0.02 -0.82 -0.63 0.28 3.08 -1.24 -3.25 114.38 111.84 2dkr h ARG 45 Ca 0.73 0.06 0.13 0.00 0.07 0.00 0.00 59.98 60.97 2dkr h ARG 45 Cb 1.77 0.19 -0.11 0.00 0.08 0.00 0.00 29.97 31.89 2dkr h ARG 45 CO -0.83 -0.52 -0.02 1.25 -1.07 0.00 0.00 179.97 178.78 2dkr h HIS 46 N -1.19 -0.08 -2.34 3.04 2.76 0.15 -3.47 115.15 114.02 2dkr h HIS 46 Ca -0.09 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.13 2dkr h HIS 46 Cb 0.67 0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.76 2dkr h HIS 46 CO 0.00 -0.18 0.00 0.41 -1.30 0.00 0.00 177.93 176.86 2dkr n GLY 47 N -1.38 0.82 0.00 5.26 0.00 0.62 -5.02 105.19 105.50 2dkr n GLY 47 Ca 0.09 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.17 0.00 3.78 -0.02 0.00 -1.26 -5.09 105.19 101.43 2dkr n GLY 48 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.32 3.95 0.21 0.99 1.43 -1.26 -5.02 118.68 116.66 2dkr s LEU 49 Ca 0.00 0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 53.24 2dkr s LEU 49 Cb 0.00 -2.00 0.01 0.00 0.03 0.00 0.00 46.19 44.23 2dkr s LEU 49 CO 0.00 0.37 0.44 -0.54 0.23 0.00 0.00 176.35 176.85 2dkr s LYS 50 N -1.09 1.38 0.16 1.70 1.02 -1.26 -4.69 119.74 116.96 2dkr s LYS 50 Ca 0.16 -1.09 -0.33 0.00 0.02 0.00 0.00 55.97 54.73 2dkr s LYS 50 Cb -0.12 0.46 -0.12 0.00 -0.52 0.00 0.00 37.83 37.53 2dkr s LYS 50 CO 0.05 -0.56 1.71 -2.13 -0.92 0.00 0.00 175.35 173.50 2dkr n ARG 51 N -0.32 2.54 0.00 1.68 0.63 -1.26 -1.76 116.66 118.16 2dkr n ARG 51 Ca -0.06 0.92 0.00 0.00 -0.92 0.00 0.00 57.85 57.79 2dkr n ARG 51 Cb 0.62 -2.75 0.00 0.00 0.45 0.00 0.00 32.46 30.79 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 3.86 2.58 3.50 5.14 0.00 -0.39 -4.92 105.19 114.96 2dkr n GLY 52 Ca 0.17 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 1.97 -4.65 1.61 9.92 -0.73 -4.51 116.55 120.17 2dkr n ASP 53 Ca 0.00 0.10 -0.43 0.00 -0.53 0.00 0.00 54.79 53.93 2dkr n ASP 53 Cb 0.00 -1.32 -0.02 0.00 -0.64 0.00 0.00 41.12 39.13 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 0.13 0.00 0.00 177.20 175.75 2dkr s GLN 54 N 7.27 4.08 -0.31 -1.24 -0.44 -1.26 -2.43 119.66 125.33 2dkr s GLN 54 Ca 1.10 1.80 -0.29 0.00 -2.50 0.00 0.00 55.36 55.47 2dkr s GLN 54 Cb -0.69 -3.91 -0.01 0.00 -1.64 0.00 0.00 33.01 26.75 2dkr s GLN 54 CO 0.41 -0.93 1.55 -1.17 0.50 0.00 0.00 175.29 175.66 2dkr s LEU 55 N 4.17 3.72 -0.13 3.68 2.96 0.60 -2.07 118.68 131.60 2dkr s LEU 55 Ca 0.65 1.27 -0.09 0.00 -0.22 0.00 0.00 54.13 55.74 2dkr s LEU 55 Cb -0.26 -3.53 -0.06 0.00 0.50 0.00 0.00 46.19 42.83 2dkr s LEU 55 CO 0.24 -1.38 0.05 -0.07 -1.32 0.00 0.00 176.35 173.87 2dkr h LEU 56 N 12.16 0.00 -7.69 -0.68 3.38 -1.22 -3.30 115.31 117.97 2dkr h LEU 56 Ca -0.31 -0.18 -0.15 0.00 0.09 0.00 0.00 57.88 57.33 2dkr h LEU 56 Cb 1.14 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.67 2dkr h LEU 56 CO 1.04 0.76 -0.48 -0.44 0.09 0.00 0.00 178.44 179.40 2dkr s SER 57 N -5.84 -0.04 -0.03 -0.43 0.01 -1.23 -0.97 113.70 105.17 2dkr s SER 57 Ca -0.11 -0.05 0.06 0.00 1.31 0.00 0.00 55.95 57.16 2dkr s SER 57 Cb 0.01 0.25 -0.01 0.00 0.21 0.00 0.00 66.02 66.48 2dkr s SER 57 CO 0.22 -0.30 -0.22 -0.69 0.41 0.00 0.00 173.24 172.66 2dkr s VAL 58 N -1.03 1.76 -1.26 3.43 1.01 0.11 -0.53 120.40 123.90 2dkr s VAL 58 Ca -0.11 -0.93 -0.03 0.00 0.00 0.00 0.00 61.98 60.90 2dkr s VAL 58 Cb -0.06 -1.48 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2dkr s VAL 58 CO 0.01 0.50 0.21 0.59 0.00 0.00 0.00 175.10 176.42 2dkr n ASN 59 N 2.74 -4.40 -0.46 3.32 4.13 0.10 -0.03 115.26 120.66 2dkr n ASN 59 Ca -0.16 -0.05 -0.05 0.00 1.68 0.00 0.00 54.58 56.00 2dkr n ASN 59 Cb 0.52 -3.67 -0.01 0.00 -1.54 0.00 0.00 39.78 35.08 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 -1.03 0.52 3.03 7.41 0.00 -1.25 -4.89 105.19 108.98 2dkr n GLY 60 Ca -0.12 -0.77 -0.25 0.00 0.00 0.00 0.00 46.02 44.88 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 -2.21 1.14 -0.09 1.61 1.01 0.96 -5.10 120.40 117.72 2dkr s VAL 61 Ca 0.00 -0.49 -0.29 0.00 0.00 0.00 0.00 61.98 61.20 2dkr s VAL 61 Cb 0.00 -1.04 -0.06 0.00 0.00 0.00 0.00 36.38 35.28 2dkr s VAL 61 CO 0.00 0.36 1.80 -0.94 0.00 0.00 0.00 175.10 176.31 2dkr s SER 62 N 0.63 6.39 -0.07 3.32 1.04 -1.26 0.08 113.70 123.84 2dkr s SER 62 Ca -0.14 2.16 0.03 0.00 0.48 0.00 0.00 55.95 58.48 2dkr s SER 62 Cb -0.16 -2.53 -0.06 0.00 0.10 0.00 0.00 66.02 63.37 2dkr s SER 62 CO 0.04 -1.17 -0.02 1.33 0.98 0.00 0.00 173.24 174.40 2dkr n VAL 63 N 6.00 0.42 -0.46 5.02 0.24 -0.85 -4.40 118.33 124.30 2dkr n VAL 63 Ca 0.20 -0.22 0.37 0.00 -2.04 0.00 0.00 64.34 62.65 2dkr n VAL 63 Cb 0.43 -0.81 0.61 0.00 -1.47 0.00 0.00 33.84 32.60 2dkr n VAL 63 CO 0.00 0.00 0.00 -1.84 -2.14 0.00 0.00 176.83 172.85 2dkr n GLU 64 N -2.44 -0.02 -0.04 7.34 0.28 -0.15 0.20 120.64 125.81 2dkr n GLU 64 Ca -0.11 1.02 -0.11 0.00 -0.16 0.00 0.00 57.16 57.80 2dkr n GLU 64 Cb 0.67 -2.09 -0.14 0.00 1.43 0.00 0.00 31.44 31.30 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2dkr n GLY 65 N -1.53 -0.93 3.55 -1.84 0.00 -1.26 -4.77 105.19 98.41 2dkr n GLY 65 Ca 0.35 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.57 -1.52 0.56 1.61 2.02 0.54 -5.02 118.70 114.33 2dkr s GLU 66 Ca -0.09 -0.03 -0.10 0.00 0.02 0.00 0.00 54.97 54.77 2dkr s GLU 66 Cb 0.07 -1.56 -0.04 0.00 0.10 0.00 0.00 34.13 32.70 2dkr s GLU 66 CO 0.81 -3.91 0.95 -1.14 0.02 0.00 0.00 175.26 171.99 2dkr s GLN 67 N -5.35 3.62 0.14 1.61 0.74 -1.26 -4.75 119.66 114.42 2dkr s GLN 67 Ca 0.71 0.61 -0.25 0.00 0.05 0.00 0.00 55.36 56.47 2dkr s GLN 67 Cb -0.10 -2.18 -0.00 0.00 1.10 0.00 0.00 33.01 31.83 2dkr s GLN 67 CO 0.56 -0.42 1.60 1.25 -0.55 0.00 0.00 175.29 177.74 2dkr h HIS 68 N 0.00 -0.92 -0.95 1.67 -0.00 -1.92 -2.32 115.15 110.71 2dkr h HIS 68 Ca -0.45 0.05 0.12 0.00 -0.00 0.00 0.00 60.37 60.08 2dkr h HIS 68 Cb 1.19 0.44 -0.13 0.00 -0.00 0.00 0.00 27.41 28.91 2dkr h HIS 68 CO 0.64 -0.40 -0.47 -1.91 -0.00 0.00 0.00 177.93 175.79 2dkr n GLU 69 N -5.41 -0.32 -0.32 5.26 4.07 -1.26 0.45 120.64 123.10 2dkr n GLU 69 Ca -0.02 1.45 0.10 0.00 -0.06 0.00 0.00 57.16 58.63 2dkr n GLU 69 Cb 0.33 -2.15 0.21 0.00 -0.06 0.00 0.00 31.44 29.78 2dkr n GLU 69 CO 0.00 0.00 0.00 -0.22 -0.06 0.00 0.00 177.13 176.85 2dkr h LYS 70 N 0.00 0.03 -0.06 5.31 1.63 -1.80 0.31 116.57 121.98 2dkr h LYS 70 Ca 0.24 -0.00 0.03 0.00 -0.85 0.00 0.00 60.65 60.07 2dkr h LYS 70 Cb 0.48 -0.01 -0.03 0.00 -0.60 0.00 0.00 32.23 32.07 2dkr h LYS 70 CO -0.92 0.02 -0.10 0.00 -3.45 0.00 0.00 179.45 175.00 2dkr h ALA 71 N 1.92 -0.06 0.57 5.00 0.00 0.01 0.13 119.26 126.83 2dkr h ALA 71 Ca 0.52 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.43 2dkr h ALA 71 Cb 0.96 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.95 2dkr h ALA 71 CO -0.89 -0.57 -0.28 0.28 0.00 0.00 0.00 179.25 177.80 2dkr h VAL 72 N -0.14 0.00 -1.08 0.00 2.07 -0.15 -2.22 116.25 114.73 2dkr h VAL 72 Ca 0.06 -0.03 0.30 0.00 0.82 0.00 0.00 66.70 67.85 2dkr h VAL 72 Cb 0.22 0.00 -0.07 0.00 -1.52 0.00 0.00 31.29 29.93 2dkr h VAL 72 CO -0.15 0.00 0.74 1.05 0.02 0.00 0.00 177.57 179.24 2dkr h GLU 73 N -0.80 0.16 -0.06 1.57 4.11 -0.88 0.72 114.58 119.40 2dkr h GLU 73 Ca -0.08 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.34 2dkr h GLU 73 Cb 0.59 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.80 2dkr h GLU 73 CO 0.13 0.11 0.02 -0.07 0.07 0.00 0.00 179.01 179.27 2dkr h LEU 74 N 0.17 0.09 0.40 3.06 3.38 -0.48 0.47 115.31 122.40 2dkr h LEU 74 Ca 0.56 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 58.33 2dkr h LEU 74 Cb 1.86 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 42.57 2dkr h LEU 74 CO -0.13 0.25 -0.29 -0.07 0.09 0.00 0.00 178.44 178.29 2dkr h LEU 75 N -0.08 -0.74 -1.14 1.67 3.38 -0.25 0.26 115.31 118.42 2dkr h LEU 75 Ca 0.02 0.05 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 2dkr h LEU 75 Cb 0.19 0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 2dkr h LEU 75 CO -0.00 -0.44 0.09 0.11 0.09 0.00 0.00 178.44 178.29 2dkr h LYS 76 N -0.67 0.69 -0.48 1.13 1.57 -1.44 -2.77 116.57 114.58 2dkr h LYS 76 Ca -0.04 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.54 2dkr h LYS 76 Cb 0.57 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.76 2dkr h LYS 76 CO 0.01 0.65 0.03 0.00 -0.57 0.00 0.00 179.45 179.57 2dkr h ALA 77 N 1.43 0.65 -1.78 3.86 0.00 0.32 -3.44 119.26 120.30 2dkr h ALA 77 Ca 0.15 -0.26 -0.37 0.00 0.00 0.00 0.00 54.91 54.42 2dkr h ALA 77 Cb 0.29 -0.18 0.20 0.00 0.00 0.00 0.00 17.79 18.10 2dkr h ALA 77 CO 0.00 0.42 -0.48 0.00 0.00 0.00 0.00 179.25 179.20 2dkr n ALA 78 N -2.42 -3.37 -3.47 0.00 0.00 0.90 -5.06 120.51 107.08 2dkr n ALA 78 Ca 0.01 -1.38 -0.17 0.00 0.00 0.00 0.00 53.44 51.90 2dkr n ALA 78 Cb 0.29 -1.48 -0.07 0.00 0.00 0.00 0.00 19.45 18.20 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 -4.00 0.96 0.00 0.00 0.00 -1.26 -4.97 119.66 110.39 2dkr s GLN 79 Ca 0.57 0.24 0.00 0.00 -0.00 0.00 0.00 55.36 56.17 2dkr s GLN 79 Cb -0.13 0.45 0.00 0.00 0.00 0.00 0.00 33.01 33.33 2dkr s GLN 79 CO 0.56 -0.28 0.00 0.41 0.00 0.00 0.00 175.29 175.98 2dkr n GLY 80 N 1.14 1.27 3.51 2.60 0.00 -1.26 -4.75 105.19 107.70 2dkr n GLY 80 Ca -0.19 -0.02 -0.14 0.00 0.00 0.00 0.00 46.02 45.67 2dkr n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 81 N 0.00 -0.54 -0.07 1.61 1.04 -1.26 -2.42 113.70 112.05 2dkr s SER 81 Ca 0.00 0.42 0.01 0.00 0.48 0.00 0.00 55.95 56.86 2dkr s SER 81 Cb 0.00 0.48 0.02 0.00 0.10 0.00 0.00 66.02 66.62 2dkr s SER 81 CO 0.00 -0.63 -0.09 0.68 0.98 0.00 0.00 173.24 174.18 2dkr s VAL 82 N -1.93 0.97 -0.57 5.02 -7.23 -0.87 -4.83 120.40 110.96 2dkr s VAL 82 Ca -0.05 -0.35 -0.21 0.00 -1.81 0.00 0.00 61.98 59.56 2dkr s VAL 82 Cb -0.00 -0.94 0.07 0.00 0.56 0.00 0.00 36.38 36.07 2dkr s VAL 82 CO 0.01 0.33 0.81 -0.75 -0.31 0.00 0.00 175.10 175.19 2dkr s LYS 83 N 1.00 3.15 -0.33 4.82 2.20 -1.26 -2.35 119.74 126.97 2dkr s LYS 83 Ca -0.09 -0.81 -0.14 0.00 -0.36 0.00 0.00 55.97 54.57 2dkr s LYS 83 Cb -0.15 -4.15 -0.02 0.00 -1.51 0.00 0.00 37.83 32.00 2dkr s LYS 83 CO -0.00 -1.51 0.31 -0.51 -0.36 0.00 0.00 175.35 173.28 2dkr s LEU 84 N 3.34 4.38 -0.12 5.43 1.43 -0.33 0.01 118.68 132.82 2dkr s LEU 84 Ca 0.20 -0.21 -0.11 0.00 -1.03 0.00 0.00 54.13 52.97 2dkr s LEU 84 Cb -0.18 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.72 2dkr s LEU 84 CO 0.12 -0.27 0.24 -0.69 0.23 0.00 0.00 176.35 175.99 2dkr s VAL 85 N 1.92 5.33 0.23 -1.59 1.01 0.32 0.10 120.40 127.71 2dkr s VAL 85 Ca 0.10 0.44 0.09 0.00 0.00 0.00 0.00 61.98 62.61 2dkr s VAL 85 Cb -0.17 -3.55 -0.05 0.00 0.00 0.00 0.00 36.38 32.61 2dkr s VAL 85 CO 0.11 0.50 -0.16 0.68 0.00 0.00 0.00 175.10 176.24 2dkr s VAL 86 N -0.31 1.94 -0.25 2.92 -7.23 -1.23 -0.69 120.40 115.55 2dkr s VAL 86 Ca 0.16 -2.26 -0.07 0.00 -1.81 0.00 0.00 61.98 58.00 2dkr s VAL 86 Cb -0.13 -2.12 -0.02 0.00 0.56 0.00 0.00 36.38 34.67 2dkr s VAL 86 CO 0.05 -0.54 0.05 -0.60 -0.31 0.00 0.00 175.10 173.75 2dkr s ARG 87 N -3.61 3.60 0.48 4.82 3.00 -0.88 -3.90 118.95 122.46 2dkr s ARG 87 Ca 0.25 -0.51 0.07 0.00 -1.00 0.00 0.00 55.73 54.54 2dkr s ARG 87 Cb -0.02 -3.28 0.01 0.00 0.00 0.00 0.00 34.95 31.66 2dkr s ARG 87 CO 0.09 -0.20 0.40 -1.12 0.00 0.00 0.00 175.30 174.48 2dkr s SER 88 N 1.59 4.82 0.79 -2.12 0.01 -1.26 -4.37 113.70 113.16 2dkr s SER 88 Ca 0.06 -0.99 -0.11 0.00 1.31 0.00 0.00 55.95 56.23 2dkr s SER 88 Cb -0.15 -0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.05 2dkr s SER 88 CO 0.02 -0.88 1.09 -0.83 0.41 0.00 0.00 173.24 173.06 2dkr s GLY 89 N -4.21 1.66 1.14 3.44 0.00 -1.26 -5.04 107.32 103.05 2dkr s GLY 89 Ca 0.43 0.16 -0.17 0.00 0.00 0.00 0.00 44.72 45.14 2dkr s GLY 89 CO 0.25 0.54 1.10 2.56 0.00 0.00 0.00 173.10 177.56 2dkr s PRO 90 N -4.93 -0.72 -1.30 2.90 0.04 -1.26 -4.22 135.00 125.51 2dkr s PRO 90 Ca 0.61 0.11 -0.07 0.00 0.04 0.00 0.00 61.00 61.70 2dkr s PRO 90 Cb -0.17 -1.64 0.01 0.00 0.04 0.00 0.00 34.50 32.74 2dkr s PRO 90 CO 0.56 -3.42 1.12 0.43 0.04 0.00 0.00 177.00 175.74 2dkr n SER 91 N -4.58 -5.40 -0.02 6.66 7.64 -1.26 -4.93 113.62 111.73 2dkr n SER 91 Ca 0.10 -0.54 -0.16 0.00 1.01 0.00 0.00 58.87 59.28 2dkr n SER 91 Cb 0.59 -4.95 -0.12 0.00 -1.01 0.00 0.00 64.21 58.72 2dkr n SER 91 CO 0.00 0.00 0.00 -1.28 -3.01 0.00 0.00 175.04 170.75 2dkr h SER 92 N -2.49 0.28 0.00 6.43 0.87 -1.99 -3.56 113.55 113.09 2dkr h SER 92 Ca -0.56 -0.81 0.00 0.00 -1.23 0.00 0.00 61.79 59.19 2dkr h SER 92 Cb 1.36 -0.09 0.00 0.00 -0.44 0.00 0.00 62.40 63.23 2dkr h SER 92 CO 0.53 1.06 0.00 0.61 -0.53 0.00 0.00 176.83 178.50