#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dkr s SER 2 N 0.00 6.99 -1.50 1.61 0.15 -1.26 -4.01 113.70 115.68 2dkr s SER 2 Ca 0.00 1.35 -0.11 0.00 0.70 0.00 0.00 55.95 57.89 2dkr s SER 2 Cb 0.00 -2.39 0.07 0.00 -1.71 0.00 0.00 66.02 61.99 2dkr s SER 2 CO 0.00 0.02 0.90 -0.24 1.20 0.00 0.00 173.24 175.12 2dkr n SER 3 N 0.61 -3.90 0.00 5.45 2.88 -1.26 -4.88 113.62 112.53 2dkr n SER 3 Ca -0.02 -0.81 0.00 0.00 -1.33 0.00 0.00 58.87 56.71 2dkr n SER 3 Cb 0.51 -3.81 0.00 0.00 -0.75 0.00 0.00 64.21 60.17 2dkr n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dkr n GLY 4 N -1.67 2.67 3.99 0.46 0.00 -1.26 -5.17 105.19 104.22 2dkr n GLY 4 Ca -0.03 -0.95 -0.21 0.00 0.00 0.00 0.00 46.02 44.83 2dkr n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 5 N 0.00 4.94 1.05 1.61 1.04 -1.26 -4.67 113.70 116.40 2dkr s SER 5 Ca 0.00 -0.30 -0.15 0.00 0.48 0.00 0.00 55.95 55.98 2dkr s SER 5 Cb 0.00 -0.36 0.21 0.00 0.10 0.00 0.00 66.02 65.97 2dkr s SER 5 CO 0.00 -1.41 1.12 -0.44 0.98 0.00 0.00 173.24 173.49 2dkr s SER 6 N -4.57 2.27 -1.17 7.02 0.01 -1.26 -4.87 113.70 111.12 2dkr s SER 6 Ca 0.61 0.91 -0.19 0.00 1.31 0.00 0.00 55.95 58.60 2dkr s SER 6 Cb -0.08 -1.40 -0.03 0.00 0.21 0.00 0.00 66.02 64.72 2dkr s SER 6 CO 0.40 -3.32 1.99 0.61 0.41 0.00 0.00 173.24 173.33 2dkr n GLY 7 N -1.41 2.94 3.75 3.44 0.00 -1.25 -4.94 105.19 107.72 2dkr n GLY 7 Ca 0.08 -1.32 -0.40 0.00 0.00 0.00 0.00 46.02 44.38 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 5.22 4.69 -0.25 1.61 0.11 -1.26 -3.54 120.40 126.98 2dkr s VAL 8 Ca 0.55 1.59 -0.01 0.00 -2.93 0.00 0.00 61.98 61.17 2dkr s VAL 8 Cb 0.10 -4.09 0.03 0.00 -1.53 0.00 0.00 36.38 30.89 2dkr s VAL 8 CO 0.04 0.40 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.47 2dkr s VAL 9 N -0.29 2.82 -0.44 2.04 1.01 0.75 -4.97 120.40 121.33 2dkr s VAL 9 Ca 0.37 -1.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.09 2dkr s VAL 9 Cb -0.21 -2.46 0.04 0.00 0.00 0.00 0.00 36.38 33.75 2dkr s VAL 9 CO 0.23 0.16 0.37 -0.70 0.00 0.00 0.00 175.10 175.16 2dkr s GLU 10 N 1.30 3.00 0.11 2.72 2.12 -1.26 -1.35 118.70 125.35 2dkr s GLU 10 Ca -0.01 -1.07 -0.01 0.00 0.36 0.00 0.00 54.97 54.25 2dkr s GLU 10 Cb -0.17 -4.03 -0.04 0.00 0.26 0.00 0.00 34.13 30.14 2dkr s GLU 10 CO -0.04 -0.88 0.28 -0.51 -0.54 0.00 0.00 175.26 173.56 2dkr s LEU 11 N 1.81 4.32 0.29 2.70 1.43 -0.65 -4.91 118.68 123.67 2dkr s LEU 11 Ca 0.07 0.33 -0.29 0.00 -1.03 0.00 0.00 54.13 53.20 2dkr s LEU 11 Cb -0.20 -3.04 -0.10 0.00 0.03 0.00 0.00 46.19 42.88 2dkr s LEU 11 CO 0.10 0.10 1.24 -2.16 0.23 0.00 0.00 176.35 175.86 2dkr s PRO 12 N -2.78 4.45 -0.41 1.29 0.04 -1.26 -0.44 135.00 135.89 2dkr s PRO 12 Ca 0.36 2.05 -0.12 0.00 0.04 0.00 0.00 61.00 63.33 2dkr s PRO 12 Cb -0.12 -3.14 0.05 0.00 0.04 0.00 0.00 34.50 31.33 2dkr s PRO 12 CO 0.28 -0.08 0.27 0.21 0.04 0.00 0.00 177.00 177.72 2dkr s LYS 13 N -1.31 2.82 0.11 4.56 2.47 0.80 -4.76 119.74 124.44 2dkr s LYS 13 Ca 0.49 -1.23 -0.26 0.00 -1.56 0.00 0.00 55.97 53.42 2dkr s LYS 13 Cb -0.37 -3.87 0.07 0.00 -1.46 0.00 0.00 37.83 32.21 2dkr s LYS 13 CO 0.46 -0.84 0.86 -0.08 0.16 0.00 0.00 175.35 175.90 2dkr s THR 14 N 1.56 0.00 0.38 3.43 -1.32 -1.26 -3.87 115.64 114.55 2dkr s THR 14 Ca 0.03 -0.36 0.22 0.00 -1.21 0.00 0.00 61.69 60.36 2dkr s THR 14 Cb -0.21 -1.49 0.37 0.00 -1.51 0.00 0.00 72.50 69.66 2dkr s THR 14 CO 0.06 0.00 1.59 -2.24 -2.21 0.00 0.00 174.62 171.83 2dkr h ASP 15 N 2.00 0.33 -0.94 8.08 2.03 -2.02 0.12 116.42 126.03 2dkr h ASP 15 Ca -0.24 0.23 0.17 0.00 -0.73 0.00 0.00 57.03 56.46 2dkr h ASP 15 Cb 1.25 0.23 -0.17 0.00 -0.83 0.00 0.00 39.33 39.81 2dkr h ASP 15 CO 0.29 -0.36 -0.29 -0.62 -1.03 0.00 0.00 179.24 177.23 2dkr n GLU 16 N -5.15 -0.14 0.00 4.15 1.02 -1.26 -4.92 120.64 114.34 2dkr n GLU 16 Ca 0.37 1.46 0.00 0.00 -0.02 0.00 0.00 57.16 58.97 2dkr n GLU 16 Cb 1.28 -2.17 0.00 0.00 -0.02 0.00 0.00 31.44 30.53 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkr n GLY 17 N -1.53 1.44 0.08 0.62 0.00 0.40 -4.96 105.19 101.24 2dkr n GLY 17 Ca 0.13 -2.06 -0.07 0.00 0.00 0.00 0.00 46.02 44.02 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 1.70 0.00 0.99 7.99 -1.26 -4.62 117.00 121.80 2dkr n LEU 18 Ca 0.00 0.37 0.00 0.00 -0.01 0.00 0.00 56.01 56.37 2dkr n LEU 18 Cb 0.00 -0.74 0.00 0.00 -0.11 0.00 0.00 43.42 42.57 2dkr n LEU 18 CO 0.00 -0.34 0.00 0.61 -1.51 0.00 0.00 177.39 176.15 2dkr n GLY 19 N 1.51 0.71 3.19 -0.72 0.00 -1.26 -0.63 105.19 107.99 2dkr n GLY 19 Ca -0.11 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.20 0.07 -0.12 1.61 -0.71 -1.26 -0.86 117.98 115.51 2dkr s PHE 20 Ca 0.00 -0.34 -0.01 0.00 -1.04 0.00 0.00 56.93 55.54 2dkr s PHE 20 Cb 0.00 -0.03 0.03 0.00 -1.21 0.00 0.00 43.02 41.81 2dkr s PHE 20 CO 0.00 -0.46 -0.03 -0.80 -1.34 0.00 0.00 175.22 172.58 2dkr s ASN 21 N -2.28 2.20 -0.02 1.98 -0.87 0.12 -4.98 114.94 111.08 2dkr s ASN 21 Ca -0.03 -0.36 0.00 0.00 -1.57 0.00 0.00 52.86 50.91 2dkr s ASN 21 Cb 0.00 -0.70 -0.04 0.00 -0.02 0.00 0.00 41.25 40.50 2dkr s ASN 21 CO -0.06 -0.18 0.02 0.27 -2.57 0.00 0.00 177.10 174.59 2dkr s ILE 22 N 1.80 4.36 -0.05 0.60 -4.36 -1.26 -0.43 121.20 121.87 2dkr s ILE 22 Ca 0.03 -0.46 -0.02 0.00 -0.26 0.00 0.00 60.65 59.94 2dkr s ILE 22 Cb -0.13 -2.94 0.03 0.00 1.25 0.00 0.00 42.46 40.67 2dkr s ILE 22 CO -0.07 0.42 0.09 0.00 0.24 0.00 0.00 174.94 175.62 2dkr s MET 23 N -1.46 0.01 0.00 0.37 0.23 -1.19 -4.89 119.30 112.37 2dkr s MET 23 Ca 0.19 0.32 0.00 0.00 -1.03 0.00 0.00 55.69 55.17 2dkr s MET 23 Cb -0.12 -0.26 0.00 0.00 -1.53 0.00 0.00 34.83 32.93 2dkr s MET 23 CO 0.09 -0.20 0.00 0.41 -2.03 0.00 0.00 175.02 173.29 2dkr n GLY 24 N 4.44 4.09 0.00 3.16 0.00 -1.26 -4.16 105.19 111.45 2dkr n GLY 24 Ca -0.22 -1.34 0.00 0.00 0.00 0.00 0.00 46.02 44.46 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 -0.91 1.98 0.04 -0.02 0.00 -1.24 -4.36 105.19 100.69 2dkr n GLY 25 Ca 0.00 0.15 -0.01 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.04 -0.77 1.61 3.64 -1.85 -3.17 116.57 115.99 2dkr h LYS 26 Ca 0.00 0.00 0.12 0.00 -1.27 0.00 0.00 60.65 59.50 2dkr h LYS 26 Cb 0.00 0.01 -0.08 0.00 -0.41 0.00 0.00 32.23 31.75 2dkr h LYS 26 CO 0.00 -0.03 0.37 1.49 -2.27 0.00 0.00 179.45 179.01 2dkr h GLU 27 N -0.55 0.55 -0.10 1.90 4.81 -1.97 0.23 114.58 119.45 2dkr h GLU 27 Ca -0.00 -0.03 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 2dkr h GLU 27 Cb 0.04 -0.13 -0.00 0.00 0.63 0.00 0.00 28.75 29.29 2dkr h GLU 27 CO 0.01 0.37 0.12 0.37 -0.73 0.00 0.00 179.01 179.15 2dkr h GLN 28 N 0.57 0.00 -5.60 1.92 -0.00 -1.95 -3.46 115.11 106.59 2dkr h GLN 28 Ca 0.40 0.00 -0.34 0.00 -0.00 0.00 0.00 58.65 58.72 2dkr h GLN 28 Cb 0.52 0.00 0.16 0.00 0.00 0.00 0.00 27.48 28.16 2dkr h GLN 28 CO -0.33 0.00 -0.73 -1.71 0.00 0.00 0.00 178.83 176.05 2dkr n ASN 29 N -3.77 -2.94 -3.48 -0.69 5.15 0.81 -4.89 115.26 105.45 2dkr n ASN 29 Ca -0.00 -0.59 -0.11 0.00 -0.60 0.00 0.00 54.58 53.27 2dkr n ASN 29 Cb 0.23 -5.00 -0.02 0.00 -0.53 0.00 0.00 39.78 34.45 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 -4.11 -0.50 0.36 1.20 0.01 -1.21 -5.05 113.70 104.41 2dkr s SER 30 Ca 0.12 -0.09 -0.27 0.00 1.31 0.00 0.00 55.95 57.03 2dkr s SER 30 Cb -0.05 0.59 -0.09 0.00 0.21 0.00 0.00 66.02 66.67 2dkr s SER 30 CO 0.71 -0.97 1.20 -2.16 0.41 0.00 0.00 173.24 172.43 2dkr s PRO 31 N -3.77 4.22 0.13 12.44 0.04 -1.26 -3.65 135.00 143.15 2dkr s PRO 31 Ca 0.02 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 62.71 2dkr s PRO 31 Cb -0.01 -2.87 -0.07 0.00 0.04 0.00 0.00 34.50 31.59 2dkr s PRO 31 CO -0.12 -0.21 1.22 0.42 0.04 0.00 0.00 177.00 178.35 2dkr s ILE 32 N -1.29 3.74 0.31 0.56 1.01 -1.26 -4.81 121.20 119.46 2dkr s ILE 32 Ca 0.53 1.34 -0.09 0.00 0.00 0.00 0.00 60.65 62.43 2dkr s ILE 32 Cb -0.34 -3.86 0.01 0.00 0.01 0.00 0.00 42.46 38.28 2dkr s ILE 32 CO 0.44 0.16 0.53 -0.72 0.00 0.00 0.00 174.94 175.35 2dkr s TYR 33 N 0.53 0.61 -0.38 3.97 -0.85 -1.26 0.94 117.35 120.90 2dkr s TYR 33 Ca 0.56 -0.97 -0.23 0.00 -0.52 0.00 0.00 57.07 55.91 2dkr s TYR 33 Cb -0.32 0.20 0.01 0.00 0.38 0.00 0.00 41.96 42.23 2dkr s TYR 33 CO 0.33 -1.16 0.80 0.42 -1.52 0.00 0.00 175.55 174.42 2dkr s ILE 34 N -3.32 4.70 -0.12 -3.49 -1.09 -0.50 -3.14 121.20 114.25 2dkr s ILE 34 Ca 0.24 0.82 -0.23 0.00 -2.23 0.00 0.00 60.65 59.25 2dkr s ILE 34 Cb -0.01 -4.24 -0.20 0.00 -1.58 0.00 0.00 42.46 36.43 2dkr s ILE 34 CO 0.14 -0.50 0.64 -1.28 -1.23 0.00 0.00 174.94 172.71 2dkr h SER 35 N 8.59 -0.01 -4.62 3.58 0.87 -1.09 -1.50 113.55 119.37 2dkr h SER 35 Ca -0.25 -0.74 -0.22 0.00 -1.23 0.00 0.00 61.79 59.36 2dkr h SER 35 Cb 1.09 0.00 -0.23 0.00 -0.44 0.00 0.00 62.40 62.82 2dkr h SER 35 CO 0.93 0.84 -0.72 -0.60 -0.53 0.00 0.00 176.83 176.75 2dkr s ARG 36 N -2.24 0.31 -0.01 2.24 3.00 -1.02 -4.83 118.95 116.40 2dkr s ARG 36 Ca -0.15 -0.49 0.03 0.00 -1.00 0.00 0.00 55.73 54.12 2dkr s ARG 36 Cb -0.02 -0.04 -0.01 0.00 0.00 0.00 0.00 34.95 34.89 2dkr s ARG 36 CO 0.54 -0.01 -0.09 0.08 0.00 0.00 0.00 175.30 175.82 2dkr s VAL 37 N -1.06 0.73 -0.00 7.11 1.01 -1.26 0.13 120.40 127.06 2dkr s VAL 37 Ca -0.10 -0.39 -0.30 0.00 0.00 0.00 0.00 61.98 61.19 2dkr s VAL 37 Cb -0.08 -0.62 -0.07 0.00 0.00 0.00 0.00 36.38 35.61 2dkr s VAL 37 CO -0.00 0.21 1.72 -0.63 0.00 0.00 0.00 175.10 176.40 2dkr s ILE 38 N -0.16 3.31 -2.00 2.22 -1.09 -0.04 -4.85 121.20 118.59 2dkr s ILE 38 Ca 0.03 0.50 0.08 0.00 -2.23 0.00 0.00 60.65 59.02 2dkr s ILE 38 Cb -0.04 -3.32 0.22 0.00 -1.58 0.00 0.00 42.46 37.73 2dkr s ILE 38 CO -0.00 -0.03 0.90 -0.81 -1.23 0.00 0.00 174.94 173.77 2dkr n PRO 39 N 6.80 0.49 -2.37 2.79 -0.04 -1.26 -3.00 135.00 138.41 2dkr n PRO 39 Ca 0.17 0.00 -0.02 0.00 -0.04 0.00 0.00 63.50 63.61 2dkr n PRO 39 Cb 0.42 -1.24 0.08 0.00 -0.04 0.00 0.00 33.50 32.71 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 1.69 0.00 0.55 0.00 -1.26 -4.97 105.19 101.18 2dkr n GLY 40 Ca 0.06 -0.35 0.00 0.00 0.00 0.00 0.00 46.02 45.73 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 -1.01 6.16 0.11 -0.02 0.00 -1.16 -5.00 105.19 104.27 2dkr n GLY 41 Ca -0.14 -2.09 -0.15 0.00 0.00 0.00 0.00 46.02 43.64 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 0.34 1.45 -0.11 1.61 2.07 -1.46 -2.57 116.25 117.57 2dkr h VAL 42 Ca 0.00 -1.69 0.04 0.00 0.82 0.00 0.00 66.70 65.87 2dkr h VAL 42 Cb 0.00 2.38 -0.06 0.00 -1.52 0.00 0.00 31.29 32.09 2dkr h VAL 42 CO 0.00 0.48 -0.39 0.00 0.02 0.00 0.00 177.57 177.67 2dkr h ALA 43 N 0.41 -0.54 0.81 1.67 0.00 -1.10 -1.34 119.26 119.16 2dkr h ALA 43 Ca -0.02 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 2dkr h ALA 43 Cb 0.90 0.73 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dkr h ALA 43 CO 0.05 -0.89 -0.46 0.22 0.00 0.00 0.00 179.25 178.16 2dkr h ASP 44 N -0.48 -1.15 -0.89 0.00 1.82 -1.72 -2.98 116.42 111.03 2dkr h ASP 44 Ca 0.08 0.06 0.15 0.00 -0.39 0.00 0.00 57.03 56.92 2dkr h ASP 44 Cb 0.61 0.32 -0.15 0.00 0.68 0.00 0.00 39.33 40.79 2dkr h ASP 44 CO -0.37 -0.73 -0.31 0.54 -1.61 0.00 0.00 179.24 176.76 2dkr n ARG 45 N -5.41 -0.17 -0.21 0.28 1.74 -0.97 0.84 116.66 112.76 2dkr n ARG 45 Ca -0.15 1.38 0.01 0.00 -0.77 0.00 0.00 57.85 58.32 2dkr n ARG 45 Cb 0.48 -2.05 0.09 0.00 -1.02 0.00 0.00 32.46 29.97 2dkr n ARG 45 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 2dkr h HIS 46 N 0.00 -0.18 0.00 -1.55 2.76 -1.10 -3.45 115.15 111.63 2dkr h HIS 46 Ca 0.35 0.05 0.00 0.00 -2.20 0.00 0.00 60.37 58.57 2dkr h HIS 46 Cb 0.57 0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.71 2dkr h HIS 46 CO -0.75 -0.23 0.00 0.41 -1.30 0.00 0.00 177.93 176.06 2dkr n GLY 47 N -1.40 2.68 0.15 5.26 0.00 0.25 -4.86 105.19 107.26 2dkr n GLY 47 Ca 0.09 -0.20 -0.07 0.00 0.00 0.00 0.00 46.02 45.84 2dkr n GLY 47 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2dkr h GLY 48 N 0.00 0.42 -5.33 -0.02 0.00 -1.83 -3.40 103.07 92.91 2dkr h GLY 48 Ca 0.00 -0.07 -0.57 0.00 0.00 0.00 0.00 47.33 46.69 2dkr h GLY 48 CO 0.00 0.03 -0.09 1.08 0.00 0.00 0.00 176.54 177.56 2dkr s LEU 49 N -10.31 4.31 0.31 3.11 1.43 -1.26 -5.00 118.68 111.28 2dkr s LEU 49 Ca -0.13 0.93 0.04 0.00 -1.03 0.00 0.00 54.13 53.93 2dkr s LEU 49 Cb 0.11 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.52 2dkr s LEU 49 CO 0.71 0.01 0.18 -0.54 0.23 0.00 0.00 176.35 176.94 2dkr s LYS 50 N 0.46 1.64 -0.31 1.70 -0.14 -1.26 -4.56 119.74 117.26 2dkr s LYS 50 Ca 0.28 -1.94 -0.29 0.00 -1.36 0.00 0.00 55.97 52.66 2dkr s LYS 50 Cb -0.16 -0.06 -0.00 0.00 -1.68 0.00 0.00 37.83 35.93 2dkr s LYS 50 CO 0.13 -0.49 1.38 0.50 -0.76 0.00 0.00 175.35 176.11 2dkr s ARG 51 N -3.76 3.82 0.00 1.68 3.52 -1.26 -3.07 118.95 119.88 2dkr s ARG 51 Ca 0.35 1.24 0.00 0.00 -0.13 0.00 0.00 55.73 57.20 2dkr s ARG 51 Cb 0.04 -3.94 0.00 0.00 -1.56 0.00 0.00 34.95 29.50 2dkr s ARG 51 CO 0.19 -1.25 0.00 0.41 -0.81 0.00 0.00 175.30 173.84 2dkr n GLY 52 N 4.54 0.73 3.65 8.12 0.00 -0.57 -4.98 105.19 116.69 2dkr n GLY 52 Ca 0.16 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.70 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 2.78 -4.66 1.61 9.92 -1.18 -4.37 116.55 120.66 2dkr n ASP 53 Ca 0.00 1.08 -0.41 0.00 -0.53 0.00 0.00 54.79 54.92 2dkr n ASP 53 Cb 0.00 -1.35 -0.05 0.00 -0.64 0.00 0.00 41.12 39.08 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 1.37 4.23 -0.29 -1.24 -0.44 -1.26 -1.40 119.66 120.62 2dkr s GLN 54 Ca 0.83 0.88 -0.28 0.00 -2.50 0.00 0.00 55.36 54.29 2dkr s GLN 54 Cb -0.76 -3.60 -0.04 0.00 -1.64 0.00 0.00 33.01 26.97 2dkr s GLN 54 CO 0.43 -0.38 2.03 -1.17 0.50 0.00 0.00 175.29 176.70 2dkr s LEU 55 N 2.36 3.46 -0.09 3.68 2.96 0.27 -3.48 118.68 127.84 2dkr s LEU 55 Ca 0.34 1.55 -0.01 0.00 -0.22 0.00 0.00 54.13 55.79 2dkr s LEU 55 Cb -0.16 -3.44 -0.00 0.00 0.50 0.00 0.00 46.19 43.09 2dkr s LEU 55 CO 0.10 -1.91 -0.02 -0.07 -1.32 0.00 0.00 176.35 173.13 2dkr h LEU 56 N 14.71 0.00 -7.56 -0.68 3.38 -0.66 -3.40 115.31 121.11 2dkr h LEU 56 Ca -0.36 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.48 2dkr h LEU 56 Cb 1.21 0.00 -0.21 0.00 0.09 0.00 0.00 40.66 41.75 2dkr h LEU 56 CO 1.01 0.47 -0.33 -0.94 0.09 0.00 0.00 178.44 178.74 2dkr s SER 57 N -5.26 -0.15 -0.03 -0.43 1.04 -1.14 -1.57 113.70 106.15 2dkr s SER 57 Ca -0.02 0.06 0.06 0.00 0.48 0.00 0.00 55.95 56.53 2dkr s SER 57 Cb 0.00 0.31 -0.01 0.00 0.10 0.00 0.00 66.02 66.42 2dkr s SER 57 CO 0.03 -0.41 -0.20 -0.69 0.98 0.00 0.00 173.24 172.95 2dkr s VAL 58 N -1.23 1.60 -1.36 5.02 1.01 -0.64 -0.14 120.40 124.66 2dkr s VAL 58 Ca -0.13 -0.84 -0.08 0.00 0.00 0.00 0.00 61.98 60.93 2dkr s VAL 58 Cb -0.06 -1.35 0.06 0.00 0.00 0.00 0.00 36.38 35.04 2dkr s VAL 58 CO 0.03 0.45 0.54 0.59 0.00 0.00 0.00 175.10 176.71 2dkr n ASN 59 N 2.83 -4.33 -1.58 3.32 3.02 0.73 -0.54 115.26 118.70 2dkr n ASN 59 Ca -0.16 -0.38 -0.11 0.00 -0.03 0.00 0.00 54.58 53.89 2dkr n ASN 59 Cb 0.53 -3.55 0.01 0.00 -0.61 0.00 0.00 39.78 36.16 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2dkr n GLY 60 N -1.28 0.04 2.93 7.41 0.00 -1.26 -5.00 105.19 108.03 2dkr n GLY 60 Ca -0.04 -0.34 -0.27 0.00 0.00 0.00 0.00 46.02 45.38 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 -2.80 1.10 -0.42 1.61 1.01 0.30 -5.08 120.40 116.12 2dkr s VAL 61 Ca 0.13 -0.34 -0.27 0.00 0.00 0.00 0.00 61.98 61.49 2dkr s VAL 61 Cb -0.06 -1.10 -0.05 0.00 0.00 0.00 0.00 36.38 35.18 2dkr s VAL 61 CO 0.16 0.38 2.18 -0.94 0.00 0.00 0.00 175.10 176.87 2dkr s SER 62 N 1.62 5.04 -0.08 3.32 1.04 -1.26 -1.62 113.70 121.76 2dkr s SER 62 Ca 0.04 1.19 0.13 0.00 0.48 0.00 0.00 55.95 57.78 2dkr s SER 62 Cb -0.13 -2.51 0.38 0.00 0.10 0.00 0.00 66.02 63.86 2dkr s SER 62 CO -0.08 -2.40 1.30 1.33 0.98 0.00 0.00 173.24 174.37 2dkr n VAL 63 N 7.72 1.55 -0.33 5.02 0.24 -0.91 -4.66 118.33 126.96 2dkr n VAL 63 Ca 0.30 -1.40 0.09 0.00 -2.04 0.00 0.00 64.34 61.29 2dkr n VAL 63 Cb 0.51 0.17 0.26 0.00 -1.47 0.00 0.00 33.84 33.30 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 2dkr h GLU 64 N 1.72 0.76 -1.04 7.34 3.07 -1.51 -2.82 114.58 122.12 2dkr h GLU 64 Ca 0.00 -0.05 -0.49 0.00 -0.50 0.00 0.00 59.36 58.32 2dkr h GLU 64 Cb 1.01 -0.17 -0.42 0.00 -0.84 0.00 0.00 28.75 28.33 2dkr h GLU 64 CO 0.09 0.50 -0.89 0.41 -1.40 0.00 0.00 179.01 177.72 2dkr n GLY 65 N -1.33 4.79 3.82 -3.84 0.00 -1.26 -4.70 105.19 102.67 2dkr n GLY 65 Ca 0.19 -2.25 -0.29 0.00 0.00 0.00 0.00 46.02 43.67 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 -3.53 2.22 0.28 1.61 0.41 -1.07 -5.03 118.70 113.59 2dkr s GLU 66 Ca 0.43 -2.17 -0.28 0.00 -0.41 0.00 0.00 54.97 52.53 2dkr s GLU 66 Cb 0.40 -1.83 -0.09 0.00 -1.78 0.00 0.00 34.13 30.83 2dkr s GLU 66 CO -0.06 -0.44 0.96 -0.65 -0.49 0.00 0.00 175.26 174.58 2dkr s GLN 67 N -4.05 4.72 0.21 1.61 -0.21 -1.26 -3.92 119.66 116.75 2dkr s GLN 67 Ca 0.22 1.45 -0.18 0.00 0.02 0.00 0.00 55.36 56.87 2dkr s GLN 67 Cb 0.00 -3.07 0.19 0.00 1.00 0.00 0.00 33.01 31.14 2dkr s GLN 67 CO 0.13 0.39 1.58 1.25 -2.12 0.00 0.00 175.29 176.52 2dkr h HIS 68 N 3.70 -0.88 -0.78 0.91 -0.00 -1.88 0.14 115.15 116.37 2dkr h HIS 68 Ca -0.46 0.08 0.18 0.00 -0.00 0.00 0.00 60.37 60.17 2dkr h HIS 68 Cb 1.20 0.50 -0.14 0.00 -0.00 0.00 0.00 27.41 28.97 2dkr h HIS 68 CO 0.61 -0.38 -0.03 0.93 -0.00 0.00 0.00 177.93 179.06 2dkr h GLU 69 N -0.09 0.07 -0.91 5.26 5.08 -1.92 -1.47 114.58 120.60 2dkr h GLU 69 Ca 0.29 -0.00 0.08 0.00 -1.00 0.00 0.00 59.36 58.73 2dkr h GLU 69 Cb 0.57 -0.02 -0.11 0.00 0.50 0.00 0.00 28.75 29.69 2dkr h GLU 69 CO -0.78 0.05 -0.56 -0.22 -1.00 0.00 0.00 179.01 176.50 2dkr h LYS 70 N 0.08 -0.02 -0.10 2.33 1.63 -1.09 -0.06 116.57 119.33 2dkr h LYS 70 Ca 0.42 0.00 0.02 0.00 -0.85 0.00 0.00 60.65 60.24 2dkr h LYS 70 Cb 0.73 0.01 -0.04 0.00 -0.60 0.00 0.00 32.23 32.32 2dkr h LYS 70 CO -0.71 -0.02 -0.36 0.00 -3.45 0.00 0.00 179.45 174.92 2dkr h ALA 71 N 0.38 -0.73 -0.82 5.00 0.00 -1.29 -1.83 119.26 119.97 2dkr h ALA 71 Ca 0.15 -0.04 0.12 0.00 0.00 0.00 0.00 54.91 55.14 2dkr h ALA 71 Cb 0.40 0.87 -0.13 0.00 0.00 0.00 0.00 17.79 18.93 2dkr h ALA 71 CO -0.87 -0.86 -0.41 0.28 0.00 0.00 0.00 179.25 177.39 2dkr h VAL 72 N -0.37 0.06 -0.40 0.00 2.07 -1.20 -0.05 116.25 116.35 2dkr h VAL 72 Ca 0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.61 2dkr h VAL 72 Cb 0.44 0.06 -0.09 0.00 -1.52 0.00 0.00 31.29 30.18 2dkr h VAL 72 CO -0.30 0.00 -0.40 -0.33 0.02 0.00 0.00 177.57 176.56 2dkr h GLU 73 N -0.08 -0.30 -0.19 1.57 4.39 -0.48 -2.10 114.58 117.39 2dkr h GLU 73 Ca 0.27 0.02 0.04 0.00 0.34 0.00 0.00 59.36 60.03 2dkr h GLU 73 Cb 0.56 0.07 -0.07 0.00 -0.10 0.00 0.00 28.75 29.21 2dkr h GLU 73 CO -0.85 -0.20 -0.49 -0.07 -1.16 0.00 0.00 179.01 176.24 2dkr h LEU 74 N -0.31 -1.56 -0.84 1.33 3.38 -0.22 -0.64 115.31 116.44 2dkr h LEU 74 Ca 0.15 0.20 0.13 0.00 0.09 0.00 0.00 57.88 58.45 2dkr h LEU 74 Cb 0.58 0.63 -0.14 0.00 0.09 0.00 0.00 40.66 41.82 2dkr h LEU 74 CO -0.56 -0.45 -0.31 0.18 0.09 0.00 0.00 178.44 177.38 2dkr n LEU 75 N -5.43 -0.52 -0.11 1.67 4.77 -0.74 0.83 117.00 117.47 2dkr n LEU 75 Ca -0.04 1.46 -0.10 0.00 -0.03 0.00 0.00 56.01 57.30 2dkr n LEU 75 Cb 0.37 -0.35 -0.02 0.00 -2.33 0.00 0.00 43.42 41.09 2dkr n LEU 75 CO 0.09 -1.32 0.88 0.11 -1.33 0.00 0.00 177.39 175.81 2dkr h LYS 76 N 0.00 0.51 -1.04 3.23 1.57 -1.08 -2.71 116.57 117.05 2dkr h LYS 76 Ca 0.30 -0.10 0.27 0.00 -1.87 0.00 0.00 60.65 59.25 2dkr h LYS 76 Cb 0.51 -0.08 -0.10 0.00 0.08 0.00 0.00 32.23 32.65 2dkr h LYS 76 CO -0.84 0.53 0.66 0.00 -0.57 0.00 0.00 179.45 179.24 2dkr h ALA 77 N 0.95 2.19 -1.88 3.86 0.00 0.19 -3.41 119.26 121.16 2dkr h ALA 77 Ca 0.11 0.07 -0.44 0.00 0.00 0.00 0.00 54.91 54.65 2dkr h ALA 77 Cb 0.23 0.03 0.23 0.00 0.00 0.00 0.00 17.79 18.27 2dkr h ALA 77 CO -0.01 -0.60 -0.57 0.00 0.00 0.00 0.00 179.25 178.07 2dkr n ALA 78 N -2.45 -3.68 -3.69 0.00 0.00 -0.36 -5.05 120.51 105.28 2dkr n ALA 78 Ca 0.26 -1.30 -0.12 0.00 0.00 0.00 0.00 53.44 52.28 2dkr n ALA 78 Cb 0.87 -1.72 -0.12 0.00 0.00 0.00 0.00 19.45 18.48 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 -3.91 0.22 0.00 0.00 1.03 -1.26 -4.90 119.66 110.84 2dkr s GLN 79 Ca 0.62 0.72 0.00 0.00 0.04 0.00 0.00 55.36 56.74 2dkr s GLN 79 Cb -0.18 -0.01 0.00 0.00 0.03 0.00 0.00 33.01 32.84 2dkr s GLN 79 CO 0.65 -0.23 0.00 0.41 -2.54 0.00 0.00 175.29 173.59 2dkr n GLY 80 N 4.85 1.19 3.53 2.60 0.00 -1.25 -4.84 105.19 111.27 2dkr n GLY 80 Ca -0.15 -0.05 -0.13 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.51 0.11 1.61 0.01 -1.26 -0.14 113.70 113.53 2dkr s SER 81 Ca 0.00 0.43 0.10 0.00 1.31 0.00 0.00 55.95 57.80 2dkr s SER 81 Cb 0.00 0.44 -0.04 0.00 0.21 0.00 0.00 66.02 66.64 2dkr s SER 81 CO 0.00 -0.56 -0.26 0.68 0.41 0.00 0.00 173.24 173.51 2dkr s VAL 82 N -1.70 2.19 -0.28 3.43 -7.23 0.42 -4.74 120.40 112.50 2dkr s VAL 82 Ca -0.04 -1.68 -0.08 0.00 -1.81 0.00 0.00 61.98 58.37 2dkr s VAL 82 Cb -0.00 -1.93 -0.01 0.00 0.56 0.00 0.00 36.38 34.99 2dkr s VAL 82 CO 0.02 0.12 0.09 -0.75 -0.31 0.00 0.00 175.10 174.27 2dkr s LYS 83 N -1.92 3.44 -0.31 4.82 2.20 -1.26 -1.64 119.74 125.07 2dkr s LYS 83 Ca 0.13 -0.63 -0.00 0.00 -0.36 0.00 0.00 55.97 55.11 2dkr s LYS 83 Cb -0.10 -3.40 0.07 0.00 -1.51 0.00 0.00 37.83 32.89 2dkr s LYS 83 CO 0.05 -0.31 0.01 -0.51 -0.36 0.00 0.00 175.35 174.23 2dkr s LEU 84 N 1.59 4.08 -0.01 5.43 1.43 -0.45 -0.19 118.68 130.55 2dkr s LEU 84 Ca 0.05 -1.51 -0.17 0.00 -1.03 0.00 0.00 54.13 51.47 2dkr s LEU 84 Cb -0.16 -1.68 -0.06 0.00 0.03 0.00 0.00 46.19 44.32 2dkr s LEU 84 CO 0.04 -0.30 0.49 -0.69 0.23 0.00 0.00 176.35 176.12 2dkr s VAL 85 N 1.16 4.97 0.22 -1.59 1.01 0.80 -0.17 120.40 126.79 2dkr s VAL 85 Ca -0.02 1.01 0.00 0.00 0.00 0.00 0.00 61.98 62.97 2dkr s VAL 85 Cb -0.20 -3.81 -0.04 0.00 0.00 0.00 0.00 36.38 32.33 2dkr s VAL 85 CO -0.03 0.50 0.15 0.68 0.00 0.00 0.00 175.10 176.40 2dkr s VAL 86 N -0.63 0.02 -0.21 2.92 -7.23 -1.23 0.07 120.40 114.11 2dkr s VAL 86 Ca 0.26 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.38 2dkr s VAL 86 Cb -0.17 -2.50 -0.02 0.00 0.56 0.00 0.00 36.38 34.24 2dkr s VAL 86 CO 0.15 0.00 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.33 2dkr s ARG 87 N -4.05 3.56 0.52 4.82 6.06 -1.23 -3.91 118.95 124.72 2dkr s ARG 87 Ca 0.39 -0.54 -0.11 0.00 -2.50 0.00 0.00 55.73 52.97 2dkr s ARG 87 Cb 0.06 -3.08 -0.05 0.00 0.06 0.00 0.00 34.95 31.94 2dkr s ARG 87 CO 0.14 -0.05 0.92 0.45 -2.50 0.00 0.00 175.30 174.26 2dkr s SER 88 N 1.15 6.39 0.00 -2.12 0.15 -1.26 -4.57 113.70 113.45 2dkr s SER 88 Ca 0.03 1.30 0.00 0.00 0.70 0.00 0.00 55.95 57.97 2dkr s SER 88 Cb -0.14 -2.40 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dkr s SER 88 CO 0.01 -0.64 0.00 0.61 1.20 0.00 0.00 173.24 174.42 2dkr n GLY 89 N -2.06 4.33 0.24 9.45 0.00 -1.26 -4.91 105.19 110.97 2dkr n GLY 89 Ca 0.04 -1.50 0.16 0.00 0.00 0.00 0.00 46.02 44.72 2dkr n GLY 89 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr h PRO 90 N 0.00 0.00 -0.88 1.61 0.13 -2.03 -3.30 132.00 127.52 2dkr h PRO 90 Ca 0.00 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 65.24 2dkr h PRO 90 Cb 0.00 0.00 -0.12 0.00 0.13 0.00 0.00 31.00 31.01 2dkr h PRO 90 CO 0.00 0.00 -0.43 0.43 -0.23 0.00 0.00 178.00 177.77 2dkr n SER 91 N -2.84 -0.75 -3.05 1.44 7.64 -1.26 -4.81 113.62 109.98 2dkr n SER 91 Ca 0.01 1.55 -0.19 0.00 1.01 0.00 0.00 58.87 61.25 2dkr n SER 91 Cb 0.27 -0.28 0.07 0.00 -1.01 0.00 0.00 64.21 63.27 2dkr n SER 91 CO 0.00 0.00 0.00 -0.24 -3.01 0.00 0.00 175.04 171.79 2dkr n SER 92 N -5.20 -4.90 0.00 6.43 2.88 -1.25 -5.19 113.62 106.40 2dkr n SER 92 Ca 0.05 -0.46 0.00 0.00 -1.33 0.00 0.00 58.87 57.13 2dkr n SER 92 Cb 0.29 -4.27 0.00 0.00 -0.75 0.00 0.00 64.21 59.48 2dkr n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42