#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 -0.73 -3.64 1.61 0.02 -2.12 -3.44 113.55 105.25 2dkr h SER 2 Ca 0.00 -0.01 -0.68 0.00 -0.84 0.00 0.00 61.79 60.26 2dkr h SER 2 Cb 0.00 0.19 -0.18 0.00 0.14 0.00 0.00 62.40 62.55 2dkr h SER 2 CO 0.00 -0.44 -0.71 -0.94 -1.14 0.00 0.00 176.83 173.60 2dkr s SER 3 N -4.50 4.56 0.04 3.07 1.04 -1.26 -4.95 113.70 111.69 2dkr s SER 3 Ca -0.16 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.10 2dkr s SER 3 Cb 0.03 -1.04 0.00 0.00 0.10 0.00 0.00 66.02 65.10 2dkr s SER 3 CO 0.56 0.28 0.00 0.61 0.98 0.00 0.00 173.24 175.67 2dkr n GLY 4 N 1.56 -1.94 3.62 7.32 0.00 -1.26 -5.14 105.19 109.34 2dkr n GLY 4 Ca -0.15 0.59 -0.34 0.00 0.00 0.00 0.00 46.02 46.11 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkr s SER 5 N -1.17 5.01 0.75 1.61 0.15 -1.26 -5.12 113.70 113.67 2dkr s SER 5 Ca 0.00 0.05 -0.03 0.00 0.70 0.00 0.00 55.95 56.67 2dkr s SER 5 Cb 0.00 -1.48 0.13 0.00 -1.71 0.00 0.00 66.02 62.96 2dkr s SER 5 CO 0.00 0.32 1.03 -0.44 1.20 0.00 0.00 173.24 175.35 2dkr s SER 6 N -0.56 4.23 -0.47 5.45 0.01 -1.26 -4.93 113.70 116.17 2dkr s SER 6 Ca 0.09 -0.24 -0.43 0.00 1.31 0.00 0.00 55.95 56.69 2dkr s SER 6 Cb -0.12 -0.13 -0.18 0.00 0.21 0.00 0.00 66.02 65.80 2dkr s SER 6 CO 0.02 -1.94 1.81 0.61 0.41 0.00 0.00 173.24 174.14 2dkr n GLY 7 N -2.94 -0.01 3.19 3.44 0.00 -1.23 -4.75 105.19 102.90 2dkr n GLY 7 Ca 0.14 1.01 -0.34 0.00 0.00 0.00 0.00 46.02 46.84 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 4.47 2.66 -0.43 1.61 0.11 -1.26 -0.38 120.40 127.18 2dkr s VAL 8 Ca 1.07 -0.86 -0.14 0.00 -2.93 0.00 0.00 61.98 59.12 2dkr s VAL 8 Cb -1.42 -2.23 0.05 0.00 -1.53 0.00 0.00 36.38 31.25 2dkr s VAL 8 CO 0.69 0.39 0.32 -0.69 -3.33 0.00 0.00 175.10 172.48 2dkr s VAL 9 N 1.35 5.03 -0.34 2.04 1.01 0.52 -4.88 120.40 125.13 2dkr s VAL 9 Ca 0.03 -0.94 -0.24 0.00 0.00 0.00 0.00 61.98 60.84 2dkr s VAL 9 Cb -0.15 -3.92 0.01 0.00 0.00 0.00 0.00 36.38 32.32 2dkr s VAL 9 CO -0.08 -0.43 0.82 -0.70 0.00 0.00 0.00 175.10 174.71 2dkr s GLU 10 N 1.62 3.86 0.16 2.72 2.12 -1.26 -1.92 118.70 126.00 2dkr s GLU 10 Ca 0.04 0.49 0.10 0.00 0.36 0.00 0.00 54.97 55.95 2dkr s GLU 10 Cb -0.22 -3.77 -0.04 0.00 0.26 0.00 0.00 34.13 30.36 2dkr s GLU 10 CO 0.07 -0.80 -0.18 -0.51 -0.54 0.00 0.00 175.26 173.30 2dkr s LEU 11 N 3.13 2.66 -0.16 2.70 1.43 -0.90 -4.97 118.68 122.57 2dkr s LEU 11 Ca 0.33 -0.68 -0.29 0.00 -1.03 0.00 0.00 54.13 52.46 2dkr s LEU 11 Cb -0.13 -1.43 -0.03 0.00 0.03 0.00 0.00 46.19 44.63 2dkr s LEU 11 CO 0.15 0.14 1.57 -2.16 0.23 0.00 0.00 176.35 176.28 2dkr s PRO 12 N -2.51 3.98 -0.41 1.29 0.04 -1.26 -1.90 135.00 134.23 2dkr s PRO 12 Ca 0.21 1.81 -0.26 0.00 0.04 0.00 0.00 61.00 62.81 2dkr s PRO 12 Cb -0.09 -3.98 0.02 0.00 0.04 0.00 0.00 34.50 30.49 2dkr s PRO 12 CO 0.11 -1.07 0.92 0.21 0.04 0.00 0.00 177.00 177.22 2dkr s LYS 13 N 4.30 3.69 -0.05 4.56 2.47 -0.57 -4.83 119.74 129.31 2dkr s LYS 13 Ca 0.69 0.37 -0.29 0.00 -1.56 0.00 0.00 55.97 55.19 2dkr s LYS 13 Cb -0.27 -3.86 0.10 0.00 -1.46 0.00 0.00 37.83 32.34 2dkr s LYS 13 CO 0.27 -1.08 0.83 -0.08 0.16 0.00 0.00 175.35 175.45 2dkr s THR 14 N 3.60 0.00 0.34 3.43 -1.32 -1.26 -3.82 115.64 116.61 2dkr s THR 14 Ca 0.37 0.00 0.22 0.00 -1.21 0.00 0.00 61.69 61.08 2dkr s THR 14 Cb -0.11 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.24 2dkr s THR 14 CO 0.22 0.00 1.34 -0.67 -2.21 0.00 0.00 174.62 173.30 2dkr n ASP 15 N 0.38 0.24 -0.35 8.08 -0.08 -1.26 0.26 116.55 123.83 2dkr n ASP 15 Ca -0.13 1.30 0.11 0.00 -1.51 0.00 0.00 54.79 54.56 2dkr n ASP 15 Cb 0.60 -0.64 0.23 0.00 2.34 0.00 0.00 41.12 43.65 2dkr n ASP 15 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 2dkr n GLU 16 N -4.68 -0.08 0.00 -0.67 2.13 -1.26 -4.91 120.64 111.16 2dkr n GLU 16 Ca 0.33 1.50 0.00 0.00 0.66 0.00 0.00 57.16 59.65 2dkr n GLU 16 Cb 1.21 -2.32 0.00 0.00 0.27 0.00 0.00 31.44 30.60 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2dkr n GLY 17 N -1.55 1.14 0.10 8.31 0.00 0.14 -4.90 105.19 108.43 2dkr n GLY 17 Ca 0.20 -2.16 -0.13 0.00 0.00 0.00 0.00 46.02 43.93 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 2.40 -0.20 0.99 7.99 -1.26 -4.66 117.00 122.26 2dkr n LEU 18 Ca 0.00 -0.09 0.00 0.00 -0.01 0.00 0.00 56.01 55.91 2dkr n LEU 18 Cb 0.00 -0.51 0.00 0.00 -0.11 0.00 0.00 43.42 42.80 2dkr n LEU 18 CO 0.00 0.77 0.00 0.61 -1.51 0.00 0.00 177.39 177.26 2dkr n GLY 19 N 2.40 0.92 3.19 -0.72 0.00 -1.26 0.14 105.19 109.87 2dkr n GLY 19 Ca -0.35 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.27 0.08 -0.03 1.61 -0.71 -1.26 -1.11 117.98 114.29 2dkr s PHE 20 Ca 0.00 -0.37 0.01 0.00 -1.04 0.00 0.00 56.93 55.53 2dkr s PHE 20 Cb 0.00 -0.03 0.02 0.00 -1.21 0.00 0.00 43.02 41.80 2dkr s PHE 20 CO 0.00 -0.48 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.58 2dkr s ASN 21 N -2.36 0.62 0.10 1.98 0.01 0.48 -4.97 114.94 110.79 2dkr s ASN 21 Ca -0.02 -0.08 0.09 0.00 -0.71 0.00 0.00 52.86 52.15 2dkr s ASN 21 Cb 0.01 -0.25 -0.04 0.00 0.41 0.00 0.00 41.25 41.38 2dkr s ASN 21 CO -0.06 -0.04 -0.20 0.27 -1.51 0.00 0.00 177.10 175.56 2dkr s ILE 22 N 0.65 2.71 0.20 0.60 -4.36 -1.26 0.17 121.20 119.93 2dkr s ILE 22 Ca -0.07 -1.46 0.07 0.00 -0.26 0.00 0.00 60.65 58.93 2dkr s ILE 22 Cb -0.11 -2.21 -0.05 0.00 1.25 0.00 0.00 42.46 41.35 2dkr s ILE 22 CO -0.01 0.17 -0.12 0.00 0.24 0.00 0.00 174.94 175.23 2dkr s MET 23 N -1.91 1.31 0.00 0.37 0.23 -1.22 -4.86 119.30 113.21 2dkr s MET 23 Ca 0.16 -1.59 0.00 0.00 -1.03 0.00 0.00 55.69 53.23 2dkr s MET 23 Cb -0.10 -1.00 0.00 0.00 -1.53 0.00 0.00 34.83 32.20 2dkr s MET 23 CO 0.08 0.13 0.00 0.41 -2.03 0.00 0.00 175.02 173.61 2dkr n GLY 24 N -0.37 -2.67 0.00 3.16 0.00 -1.26 -4.11 105.19 99.94 2dkr n GLY 24 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.16 1.94 0.03 -0.02 0.00 -1.26 -4.68 105.19 100.04 2dkr n GLY 25 Ca 0.00 0.29 -0.02 0.00 0.00 0.00 0.00 46.02 46.28 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 0.00 -0.85 1.61 3.64 -1.87 -3.16 116.57 115.94 2dkr h LYS 26 Ca 0.00 0.00 0.22 0.00 -1.27 0.00 0.00 60.65 59.60 2dkr h LYS 26 Cb 0.00 0.00 -0.14 0.00 -0.41 0.00 0.00 32.23 31.68 2dkr h LYS 26 CO 0.00 0.00 0.18 0.93 -2.27 0.00 0.00 179.45 178.29 2dkr h GLU 27 N -0.50 0.18 -0.05 1.90 4.39 -1.98 0.76 114.58 119.28 2dkr h GLU 27 Ca 0.00 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.61 2dkr h GLU 27 Cb 0.24 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 2dkr h GLU 27 CO 0.00 0.12 -0.35 0.37 -1.16 0.00 0.00 179.01 177.99 2dkr h GLN 28 N 0.18 0.09 -4.50 2.33 5.75 -1.96 -3.47 115.11 113.53 2dkr h GLN 28 Ca 0.52 -0.04 -0.28 0.00 -0.15 0.00 0.00 58.65 58.70 2dkr h GLN 28 Cb 1.01 -0.01 0.10 0.00 1.07 0.00 0.00 27.48 29.66 2dkr h GLN 28 CO -0.66 0.44 -0.50 -1.71 -2.65 0.00 0.00 178.83 173.75 2dkr n ASN 29 N -4.10 -4.71 -4.28 -0.69 2.85 0.26 -4.94 115.26 99.65 2dkr n ASN 29 Ca -0.02 -0.40 -0.16 0.00 -0.11 0.00 0.00 54.58 53.90 2dkr n ASN 29 Cb 0.41 -3.77 -0.10 0.00 1.24 0.00 0.00 39.78 37.56 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.11 0.00 0.00 177.26 174.71 2dkr s SER 30 N -3.34 2.00 0.25 1.20 0.01 -1.21 -5.04 113.70 107.59 2dkr s SER 30 Ca 0.36 -1.03 -0.30 0.00 1.31 0.00 0.00 55.95 56.29 2dkr s SER 30 Cb -0.16 -0.04 -0.09 0.00 0.21 0.00 0.00 66.02 65.93 2dkr s SER 30 CO 0.52 -0.31 1.27 -2.16 0.41 0.00 0.00 173.24 172.97 2dkr s PRO 31 N -3.73 4.43 0.06 12.44 0.04 -1.26 -4.08 135.00 142.89 2dkr s PRO 31 Ca 0.19 2.05 -0.30 0.00 0.04 0.00 0.00 61.00 62.98 2dkr s PRO 31 Cb 0.02 -3.16 -0.05 0.00 0.04 0.00 0.00 34.50 31.35 2dkr s PRO 31 CO 0.03 -0.14 1.12 0.42 0.04 0.00 0.00 177.00 178.47 2dkr s ILE 32 N -0.52 4.26 0.32 0.56 1.01 -1.26 -4.85 121.20 120.72 2dkr s ILE 32 Ca 0.52 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.72 2dkr s ILE 32 Cb -0.37 -4.07 0.02 0.00 0.01 0.00 0.00 42.46 38.05 2dkr s ILE 32 CO 0.43 0.15 0.59 -0.72 0.00 0.00 0.00 174.94 175.39 2dkr s TYR 33 N 0.86 0.47 -0.46 3.97 -0.85 -1.26 -0.48 117.35 119.60 2dkr s TYR 33 Ca 0.55 -0.88 -0.29 0.00 -0.52 0.00 0.00 57.07 55.93 2dkr s TYR 33 Cb -0.27 0.33 0.03 0.00 0.38 0.00 0.00 41.96 42.43 2dkr s TYR 33 CO 0.30 -1.22 1.15 0.42 -1.52 0.00 0.00 175.55 174.68 2dkr s ILE 34 N -3.24 4.21 -0.15 -3.49 -1.09 -0.32 -3.42 121.20 113.71 2dkr s ILE 34 Ca 0.22 1.26 -0.27 0.00 -2.23 0.00 0.00 60.65 59.63 2dkr s ILE 34 Cb -0.02 -4.56 -0.24 0.00 -1.58 0.00 0.00 42.46 36.06 2dkr s ILE 34 CO 0.13 -0.94 0.64 0.77 -1.23 0.00 0.00 174.94 174.31 2dkr h SER 35 N 9.22 0.00 -4.67 3.58 4.64 -0.60 0.20 113.55 125.91 2dkr h SER 35 Ca -0.23 -0.87 -0.32 0.00 -0.47 0.00 0.00 61.79 59.90 2dkr h SER 35 Cb 1.06 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.94 2dkr h SER 35 CO 1.12 1.07 -0.75 -0.60 -0.87 0.00 0.00 176.83 176.80 2dkr s ARG 36 N -2.23 0.61 -0.06 4.77 6.06 -0.77 -4.83 118.95 122.51 2dkr s ARG 36 Ca -0.20 -0.81 0.01 0.00 -2.50 0.00 0.00 55.73 52.23 2dkr s ARG 36 Cb -0.01 -0.45 0.02 0.00 0.06 0.00 0.00 34.95 34.57 2dkr s ARG 36 CO 0.65 0.09 -0.07 0.08 -2.50 0.00 0.00 175.30 173.55 2dkr s VAL 37 N -1.33 0.76 -0.04 7.11 1.01 -1.26 -0.39 120.40 126.26 2dkr s VAL 37 Ca -0.07 -0.23 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2dkr s VAL 37 Cb -0.10 -0.76 -0.06 0.00 0.00 0.00 0.00 36.38 35.46 2dkr s VAL 37 CO 0.01 0.29 1.63 -0.63 0.00 0.00 0.00 175.10 176.40 2dkr s ILE 38 N 1.05 3.55 -2.00 2.22 -1.09 -0.27 -4.86 121.20 119.80 2dkr s ILE 38 Ca -0.08 0.72 0.11 0.00 -2.23 0.00 0.00 60.65 59.16 2dkr s ILE 38 Cb -0.14 -3.46 0.31 0.00 -1.58 0.00 0.00 42.46 37.58 2dkr s ILE 38 CO -0.00 -0.05 1.09 -0.81 -1.23 0.00 0.00 174.94 173.93 2dkr n PRO 39 N 6.87 0.49 -2.74 2.79 -0.04 -1.26 -3.04 135.00 138.07 2dkr n PRO 39 Ca 0.17 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.60 2dkr n PRO 39 Cb 0.43 -1.35 0.08 0.00 -0.04 0.00 0.00 33.50 32.62 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 1.79 0.00 0.55 0.00 -1.26 -4.92 105.19 101.33 2dkr n GLY 40 Ca 0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.87 6.75 0.12 -0.02 0.00 -1.17 -5.01 105.19 104.99 2dkr n GLY 41 Ca -0.03 -1.95 -0.21 0.00 0.00 0.00 0.00 46.02 43.83 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 1.46 0.36 1.61 2.07 -1.54 -3.06 116.25 117.15 2dkr h VAL 42 Ca 0.00 -2.56 -0.00 0.00 0.82 0.00 0.00 66.70 64.96 2dkr h VAL 42 Cb 0.00 3.14 -0.02 0.00 -1.52 0.00 0.00 31.29 32.89 2dkr h VAL 42 CO 0.00 0.74 -0.37 0.00 0.02 0.00 0.00 177.57 177.95 2dkr h ALA 43 N 0.11 -0.80 0.45 1.67 0.00 -0.55 0.19 119.26 120.33 2dkr h ALA 43 Ca -0.17 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2dkr h ALA 43 Cb 1.75 0.54 -0.02 0.00 0.00 0.00 0.00 17.79 20.06 2dkr h ALA 43 CO 0.18 -0.99 -0.49 0.22 0.00 0.00 0.00 179.25 178.17 2dkr h ASP 44 N -0.76 -1.37 -0.34 0.00 1.82 -1.73 -0.27 116.42 113.76 2dkr h ASP 44 Ca -0.03 0.11 0.07 0.00 -0.39 0.00 0.00 57.03 56.80 2dkr h ASP 44 Cb 0.69 0.46 -0.08 0.00 0.68 0.00 0.00 39.33 41.07 2dkr h ASP 44 CO -0.07 -0.64 -0.30 0.03 -1.61 0.00 0.00 179.24 176.65 2dkr h ARG 45 N -0.95 -0.26 -0.76 0.28 3.08 -1.49 -0.66 114.38 113.63 2dkr h ARG 45 Ca -0.06 0.02 0.14 0.00 0.07 0.00 0.00 59.98 60.15 2dkr h ARG 45 Cb 0.84 0.06 -0.09 0.00 0.08 0.00 0.00 29.97 30.85 2dkr h ARG 45 CO -0.08 -0.17 0.32 1.25 -1.07 0.00 0.00 179.97 180.22 2dkr h HIS 46 N -0.26 0.55 -3.16 3.04 2.76 -0.43 -3.48 115.15 114.18 2dkr h HIS 46 Ca 0.16 0.04 0.00 0.00 -2.20 0.00 0.00 60.37 58.36 2dkr h HIS 46 Cb 0.52 -0.13 0.00 0.00 1.55 0.00 0.00 27.41 29.35 2dkr h HIS 46 CO -0.49 0.09 -0.05 0.41 -1.30 0.00 0.00 177.93 176.59 2dkr n GLY 47 N -1.32 -1.64 0.00 5.26 0.00 -0.13 -5.02 105.19 102.34 2dkr n GLY 47 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.26 0.10 3.66 -0.02 0.00 -1.26 -5.09 105.19 102.32 2dkr n GLY 48 Ca 0.00 -0.06 -0.35 0.00 0.00 0.00 0.00 46.02 45.62 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 -1.57 3.89 0.04 0.99 1.43 -1.26 -5.06 118.68 117.14 2dkr s LEU 49 Ca 0.00 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.18 2dkr s LEU 49 Cb 0.00 -1.98 -0.02 0.00 0.03 0.00 0.00 46.19 44.22 2dkr s LEU 49 CO 0.00 0.19 0.05 -0.54 0.23 0.00 0.00 176.35 176.28 2dkr s LYS 50 N 0.30 0.58 -0.18 1.70 3.01 -1.26 -4.62 119.74 119.27 2dkr s LYS 50 Ca 0.04 -0.88 -0.36 0.00 -1.01 0.00 0.00 55.97 53.76 2dkr s LYS 50 Cb -0.12 0.22 -0.13 0.00 -1.01 0.00 0.00 37.83 36.79 2dkr s LYS 50 CO -0.00 -0.14 1.88 -2.13 0.51 0.00 0.00 175.35 175.48 2dkr n ARG 51 N 0.62 1.74 0.00 1.68 0.63 -1.26 -2.05 116.66 118.02 2dkr n ARG 51 Ca -0.18 0.62 0.00 0.00 -0.92 0.00 0.00 57.85 57.38 2dkr n ARG 51 Cb 0.59 -2.47 0.00 0.00 0.45 0.00 0.00 32.46 31.03 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 4.61 3.30 3.67 5.14 0.00 0.70 -4.94 105.19 117.67 2dkr n GLY 52 Ca 0.26 -0.91 -0.50 0.00 0.00 0.00 0.00 46.02 44.87 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 2.82 -4.66 1.61 8.00 -0.87 -4.48 116.55 118.97 2dkr n ASP 53 Ca 0.00 1.05 -0.40 0.00 0.71 0.00 0.00 54.79 56.15 2dkr n ASP 53 Cb 0.00 -1.31 -0.05 0.00 -0.02 0.00 0.00 41.12 39.73 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 2.34 4.25 -0.13 -1.24 -0.44 -1.26 -1.17 119.66 122.00 2dkr s GLN 54 Ca 0.88 0.75 -0.29 0.00 -2.50 0.00 0.00 55.36 54.19 2dkr s GLN 54 Cb -0.80 -3.57 -0.05 0.00 -1.64 0.00 0.00 33.01 26.95 2dkr s GLN 54 CO 0.49 -0.25 1.71 -1.17 0.50 0.00 0.00 175.29 176.56 2dkr s LEU 55 N 1.94 4.08 -0.16 3.68 2.96 0.37 -3.26 118.68 128.29 2dkr s LEU 55 Ca 0.32 1.98 -0.13 0.00 -0.22 0.00 0.00 54.13 56.08 2dkr s LEU 55 Cb -0.16 -3.53 -0.08 0.00 0.50 0.00 0.00 46.19 42.92 2dkr s LEU 55 CO 0.11 -1.16 -0.04 -0.07 -1.32 0.00 0.00 176.35 173.87 2dkr h LEU 56 N 11.28 0.00 -7.36 -0.68 3.38 -1.43 -3.37 115.31 117.14 2dkr h LEU 56 Ca -0.38 -0.17 -0.12 0.00 0.09 0.00 0.00 57.88 57.31 2dkr h LEU 56 Cb 1.18 0.00 -0.23 0.00 0.09 0.00 0.00 40.66 41.70 2dkr h LEU 56 CO 0.97 0.98 -0.23 -0.44 0.09 0.00 0.00 178.44 179.82 2dkr s SER 57 N -6.08 -0.37 -0.04 -0.43 0.01 -1.23 -1.89 113.70 103.67 2dkr s SER 57 Ca -0.19 0.59 0.07 0.00 1.31 0.00 0.00 55.95 57.73 2dkr s SER 57 Cb 0.03 0.66 -0.02 0.00 0.21 0.00 0.00 66.02 66.90 2dkr s SER 57 CO 0.33 -0.26 -0.24 -0.69 0.41 0.00 0.00 173.24 172.80 2dkr s VAL 58 N -0.32 2.24 -1.18 3.43 1.01 0.42 -1.27 120.40 124.72 2dkr s VAL 58 Ca -0.05 -1.03 -0.03 0.00 0.00 0.00 0.00 61.98 60.87 2dkr s VAL 58 Cb -0.03 -1.80 0.02 0.00 0.00 0.00 0.00 36.38 34.56 2dkr s VAL 58 CO 0.02 0.58 0.21 0.59 0.00 0.00 0.00 175.10 176.50 2dkr n ASN 59 N 2.59 -4.10 -0.43 3.32 4.13 -0.55 0.21 115.26 120.44 2dkr n ASN 59 Ca -0.17 -0.03 -0.05 0.00 1.68 0.00 0.00 54.58 56.02 2dkr n ASN 59 Cb 0.51 -3.43 -0.01 0.00 -1.54 0.00 0.00 39.78 35.31 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 -0.99 0.49 3.10 7.41 0.00 -1.26 -5.00 105.19 108.94 2dkr n GLY 60 Ca -0.11 -0.79 -0.29 0.00 0.00 0.00 0.00 46.02 44.84 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 -2.20 1.61 -0.28 1.61 1.01 0.13 -5.08 120.40 117.21 2dkr s VAL 61 Ca 0.00 -0.73 -0.28 0.00 0.00 0.00 0.00 61.98 60.96 2dkr s VAL 61 Cb 0.00 -1.45 -0.03 0.00 0.00 0.00 0.00 36.38 34.90 2dkr s VAL 61 CO 0.00 0.46 1.99 -0.94 0.00 0.00 0.00 175.10 176.61 2dkr s SER 62 N 0.75 5.69 -0.15 3.32 1.04 -1.26 -0.43 113.70 122.66 2dkr s SER 62 Ca -0.11 1.57 0.03 0.00 0.48 0.00 0.00 55.95 57.92 2dkr s SER 62 Cb -0.16 -2.52 -0.23 0.00 0.10 0.00 0.00 66.02 63.21 2dkr s SER 62 CO 0.02 -1.83 0.25 1.33 0.98 0.00 0.00 173.24 174.00 2dkr n VAL 63 N 7.58 1.62 -0.35 5.02 0.24 -0.79 -4.27 118.33 127.38 2dkr n VAL 63 Ca 0.26 -0.70 0.33 0.00 -2.04 0.00 0.00 64.34 62.19 2dkr n VAL 63 Cb 0.46 -1.33 0.59 0.00 -1.47 0.00 0.00 33.84 32.09 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 -3.23 -0.05 -1.37 7.34 -0.58 -0.90 0.18 120.64 122.04 2dkr n GLU 64 Ca -0.32 1.28 -0.34 0.00 -0.42 0.00 0.00 57.16 57.37 2dkr n GLU 64 Cb 1.05 -2.37 0.08 0.00 -0.57 0.00 0.00 31.44 29.63 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 -1.32 5.85 3.53 0.62 0.00 -1.26 -4.95 105.19 107.67 2dkr n GLY 65 Ca 0.37 -2.28 -0.09 0.00 0.00 0.00 0.00 46.02 44.02 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 -3.79 1.45 0.92 1.61 0.41 0.48 -5.12 118.70 114.67 2dkr s GLU 66 Ca 0.64 -1.19 -0.12 0.00 -0.41 0.00 0.00 54.97 53.89 2dkr s GLU 66 Cb 0.50 0.46 0.14 0.00 -1.78 0.00 0.00 34.13 33.46 2dkr s GLU 66 CO -0.00 -0.60 1.12 1.14 -0.49 0.00 0.00 175.26 176.44 2dkr s GLN 67 N -3.99 1.05 0.05 1.61 -2.07 -1.26 -4.80 119.66 110.25 2dkr s GLN 67 Ca 0.20 0.37 -0.28 0.00 -1.82 0.00 0.00 55.36 53.84 2dkr s GLN 67 Cb 0.00 -1.82 -0.17 0.00 -1.09 0.00 0.00 33.01 29.93 2dkr s GLN 67 CO 0.06 -2.28 1.53 1.25 -1.32 0.00 0.00 175.29 174.53 2dkr h HIS 68 N -1.56 -0.45 -0.91 9.60 -0.00 -1.85 -2.95 115.15 117.04 2dkr h HIS 68 Ca -0.51 -0.01 0.28 0.00 -0.00 0.00 0.00 60.37 60.13 2dkr h HIS 68 Cb 1.33 0.15 -0.17 0.00 -0.00 0.00 0.00 27.41 28.72 2dkr h HIS 68 CO 0.31 -0.21 0.14 0.39 -0.00 0.00 0.00 177.93 178.56 2dkr n GLU 69 N -5.25 -0.07 -0.19 5.26 -0.58 -1.26 0.67 120.64 119.23 2dkr n GLU 69 Ca -0.10 1.33 -0.03 0.00 -0.42 0.00 0.00 57.16 57.94 2dkr n GLU 69 Cb 0.24 -2.18 0.04 0.00 -0.57 0.00 0.00 31.44 28.97 2dkr n GLU 69 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 2dkr h LYS 70 N 0.00 -0.07 0.17 3.49 1.63 -1.90 0.19 116.57 120.09 2dkr h LYS 70 Ca 0.61 0.00 -0.01 0.00 -0.85 0.00 0.00 60.65 60.40 2dkr h LYS 70 Cb 1.36 0.02 0.00 0.00 -0.60 0.00 0.00 32.23 33.01 2dkr h LYS 70 CO -0.81 -0.04 -0.08 0.00 -3.45 0.00 0.00 179.45 175.06 2dkr h ALA 71 N 1.38 -0.22 -0.24 5.00 0.00 0.14 0.36 119.26 125.67 2dkr h ALA 71 Ca 0.27 -0.06 0.06 0.00 0.00 0.00 0.00 54.91 55.17 2dkr h ALA 71 Cb 0.48 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 2dkr h ALA 71 CO -0.62 -0.61 -0.19 0.28 0.00 0.00 0.00 179.25 178.11 2dkr h VAL 72 N -0.26 0.49 -0.26 0.00 2.07 -0.93 0.60 116.25 117.97 2dkr h VAL 72 Ca -0.02 0.00 -0.04 0.00 0.82 0.00 0.00 66.70 67.46 2dkr h VAL 72 Cb 0.20 0.49 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2dkr h VAL 72 CO 0.04 0.00 -0.00 1.05 0.02 0.00 0.00 177.57 178.68 2dkr h GLU 73 N -0.18 0.39 -0.40 1.57 4.11 -0.56 0.22 114.58 119.71 2dkr h GLU 73 Ca 0.14 -0.07 -0.10 0.00 0.07 0.00 0.00 59.36 59.39 2dkr h GLU 73 Cb 0.39 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2dkr h GLU 73 CO -0.35 0.42 -0.17 -0.07 0.07 0.00 0.00 179.01 178.91 2dkr h LEU 74 N 0.38 0.76 0.15 3.06 3.38 0.55 0.42 115.31 124.01 2dkr h LEU 74 Ca 0.09 -0.25 -0.22 0.00 0.09 0.00 0.00 57.88 57.59 2dkr h LEU 74 Cb 0.26 -0.21 0.02 0.00 0.09 0.00 0.00 40.66 40.82 2dkr h LEU 74 CO 0.01 0.93 -0.99 -0.07 0.09 0.00 0.00 178.44 178.41 2dkr h LEU 75 N 0.68 0.50 -0.47 1.67 3.38 -0.41 -2.68 115.31 117.98 2dkr h LEU 75 Ca 0.10 -0.94 -0.13 0.00 0.09 0.00 0.00 57.88 57.01 2dkr h LEU 75 Cb 0.66 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2dkr h LEU 75 CO 0.05 1.47 -0.21 0.07 0.09 0.00 0.00 178.44 179.90 2dkr h LYS 76 N -0.30 0.97 -0.08 1.13 2.10 -0.59 -2.98 116.57 116.81 2dkr h LYS 76 Ca -0.18 -0.42 -0.10 0.00 -2.00 0.00 0.00 60.65 57.95 2dkr h LYS 76 Cb 1.73 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 33.01 2dkr h LYS 76 CO 0.15 1.09 -0.43 0.00 -2.00 0.00 0.00 179.45 178.27 2dkr h ALA 77 N 0.85 1.14 -2.06 0.07 0.00 -0.29 -3.45 119.26 115.53 2dkr h ALA 77 Ca 0.11 -0.41 -0.41 0.00 0.00 0.00 0.00 54.91 54.19 2dkr h ALA 77 Cb 0.79 -0.09 0.21 0.00 0.00 0.00 0.00 17.79 18.71 2dkr h ALA 77 CO 0.07 0.59 -0.05 0.00 0.00 0.00 0.00 179.25 179.85 2dkr s ALA 78 N -4.10 -0.56 0.16 0.00 0.00 -1.01 -5.06 121.76 111.18 2dkr s ALA 78 Ca -0.04 -0.56 -0.21 0.00 0.00 0.00 0.00 51.96 51.16 2dkr s ALA 78 Cb 0.13 -3.06 0.06 0.00 0.00 0.00 0.00 23.12 20.25 2dkr s ALA 78 CO 0.76 -4.23 0.55 1.14 0.00 0.00 0.00 175.76 173.99 2dkr s GLN 79 N -4.85 1.25 0.00 0.00 -2.07 -1.26 -5.00 119.66 107.74 2dkr s GLN 79 Ca 0.69 -0.57 0.00 0.00 -1.82 0.00 0.00 55.36 53.65 2dkr s GLN 79 Cb -0.18 0.56 0.00 0.00 -1.09 0.00 0.00 33.01 32.30 2dkr s GLN 79 CO 0.61 -0.54 0.00 0.41 -1.32 0.00 0.00 175.29 174.45 2dkr n GLY 80 N -0.34 0.95 3.33 2.60 0.00 -1.25 -4.61 105.19 105.87 2dkr n GLY 80 Ca -0.16 0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.29 -0.51 -0.09 1.61 1.04 -1.26 -1.51 113.70 112.69 2dkr s SER 81 Ca 0.00 0.93 0.01 0.00 0.48 0.00 0.00 55.95 57.38 2dkr s SER 81 Cb 0.00 0.89 -0.02 0.00 0.10 0.00 0.00 66.02 66.99 2dkr s SER 81 CO 0.00 -0.17 -0.12 0.68 0.98 0.00 0.00 173.24 174.60 2dkr s VAL 82 N 0.75 3.18 -0.38 5.02 -7.23 -0.80 -4.87 120.40 116.09 2dkr s VAL 82 Ca -0.04 -0.65 -0.16 0.00 -1.81 0.00 0.00 61.98 59.32 2dkr s VAL 82 Cb -0.05 -2.30 0.00 0.00 0.56 0.00 0.00 36.38 34.59 2dkr s VAL 82 CO -0.06 0.56 0.37 -0.54 -0.31 0.00 0.00 175.10 175.13 2dkr s LYS 83 N -0.23 3.33 -0.34 4.82 1.02 -1.26 -2.12 119.74 124.97 2dkr s LYS 83 Ca 0.01 -0.61 -0.10 0.00 0.02 0.00 0.00 55.97 55.29 2dkr s LYS 83 Cb -0.13 -3.88 0.01 0.00 -0.52 0.00 0.00 37.83 33.31 2dkr s LYS 83 CO 0.03 -0.65 0.18 -0.51 -0.92 0.00 0.00 175.35 173.47 2dkr s LEU 84 N 2.00 4.37 -0.16 3.17 1.43 -0.81 -1.48 118.68 127.21 2dkr s LEU 84 Ca 0.11 -0.71 -0.20 0.00 -1.03 0.00 0.00 54.13 52.29 2dkr s LEU 84 Cb -0.17 -2.02 -0.03 0.00 0.03 0.00 0.00 46.19 44.00 2dkr s LEU 84 CO 0.12 -0.27 0.59 -0.69 0.23 0.00 0.00 176.35 176.33 2dkr s VAL 85 N 1.59 5.07 0.15 -1.59 1.01 -0.40 -0.36 120.40 125.88 2dkr s VAL 85 Ca 0.04 1.15 0.05 0.00 0.00 0.00 0.00 61.98 63.21 2dkr s VAL 85 Cb -0.18 -3.92 -0.04 0.00 0.00 0.00 0.00 36.38 32.24 2dkr s VAL 85 CO 0.07 0.19 -0.11 0.68 0.00 0.00 0.00 175.10 175.93 2dkr s VAL 86 N 1.38 1.22 -0.45 2.92 -7.23 0.48 -1.09 120.40 117.63 2dkr s VAL 86 Ca 0.29 -2.02 -0.14 0.00 -1.81 0.00 0.00 61.98 58.30 2dkr s VAL 86 Cb -0.16 -1.81 0.07 0.00 0.56 0.00 0.00 36.38 35.04 2dkr s VAL 86 CO 0.12 -0.70 0.35 -0.60 -0.31 0.00 0.00 175.10 173.96 2dkr s ARG 87 N -3.59 2.87 -0.05 4.82 3.52 -1.20 -3.49 118.95 121.83 2dkr s ARG 87 Ca 0.16 -1.36 -0.02 0.00 -0.13 0.00 0.00 55.73 54.39 2dkr s ARG 87 Cb 0.01 -4.02 0.03 0.00 -1.56 0.00 0.00 34.95 29.42 2dkr s ARG 87 CO 0.01 -0.98 0.09 -1.54 -0.81 0.00 0.00 175.30 172.07 2dkr s SER 88 N 2.40 0.24 0.00 -2.12 1.04 -1.26 -4.53 113.70 109.46 2dkr s SER 88 Ca 0.04 0.17 -0.01 0.00 0.48 0.00 0.00 55.95 56.63 2dkr s SER 88 Cb -0.24 0.05 -0.00 0.00 0.10 0.00 0.00 66.02 65.93 2dkr s SER 88 CO 0.06 -0.17 0.01 -0.83 0.98 0.00 0.00 173.24 173.29 2dkr s GLY 89 N 1.41 0.05 0.00 7.32 0.00 -1.26 -4.93 107.32 109.91 2dkr s GLY 89 Ca -0.06 -0.10 0.12 0.00 0.00 0.00 0.00 44.72 44.68 2dkr s GLY 89 CO -0.04 -0.13 1.15 -1.55 0.00 0.00 0.00 173.10 172.53 2dkr n PRO 90 N 2.71 0.49 -1.69 2.90 -0.04 -1.26 -4.82 135.00 133.29 2dkr n PRO 90 Ca -0.15 0.00 -0.52 0.00 -0.04 0.00 0.00 63.50 62.79 2dkr n PRO 90 Cb 0.59 -1.39 -0.06 0.00 -0.04 0.00 0.00 33.50 32.60 2dkr n PRO 90 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2dkr n SER 91 N -0.89 2.99 -4.85 3.54 7.64 -1.26 -4.95 113.62 115.85 2dkr n SER 91 Ca 0.09 0.99 -0.29 0.00 1.01 0.00 0.00 58.87 60.67 2dkr n SER 91 Cb 0.04 -1.28 0.10 0.00 -1.01 0.00 0.00 64.21 62.06 2dkr n SER 91 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 2dkr s SER 92 N 4.03 4.41 0.00 6.43 1.04 -1.26 -5.25 113.70 123.10 2dkr s SER 92 Ca 0.96 0.74 0.00 0.00 0.48 0.00 0.00 55.95 58.13 2dkr s SER 92 Cb -0.85 -1.21 0.00 0.00 0.10 0.00 0.00 66.02 64.07 2dkr s SER 92 CO 0.57 -1.96 0.00 0.61 0.98 0.00 0.00 173.24 173.44