#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 -0.55 -2.85 1.61 0.02 -2.10 -3.38 113.55 106.30 2dkr h SER 2 Ca 0.00 0.27 -0.63 0.00 -0.84 0.00 0.00 61.79 60.59 2dkr h SER 2 Cb 0.00 0.49 -0.06 0.00 0.14 0.00 0.00 62.40 62.98 2dkr h SER 2 CO 0.00 -0.32 -0.41 -0.55 -1.14 0.00 0.00 176.83 174.41 2dkr s SER 3 N -5.10 6.48 0.00 3.07 0.15 -1.26 -4.82 113.70 112.22 2dkr s SER 3 Ca -0.13 0.54 0.00 0.00 0.70 0.00 0.00 55.95 57.05 2dkr s SER 3 Cb 0.27 -2.08 0.00 0.00 -1.71 0.00 0.00 66.02 62.50 2dkr s SER 3 CO 0.77 0.29 0.00 0.61 1.20 0.00 0.00 173.24 176.11 2dkr n GLY 4 N 1.30 -0.64 3.43 9.45 0.00 -1.26 -5.13 105.19 112.33 2dkr n GLY 4 Ca -0.13 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2dkr s SER 5 N 0.00 4.06 1.30 1.61 0.01 -1.26 -5.12 113.70 114.30 2dkr s SER 5 Ca 0.00 -0.26 -0.19 0.00 1.31 0.00 0.00 55.95 56.82 2dkr s SER 5 Cb 0.00 -1.28 0.33 0.00 0.21 0.00 0.00 66.02 65.28 2dkr s SER 5 CO 0.00 0.25 0.98 -0.44 0.41 0.00 0.00 173.24 174.44 2dkr s SER 6 N -0.14 -0.08 -0.78 2.44 0.01 -1.26 -4.86 113.70 109.02 2dkr s SER 6 Ca -0.01 1.06 -0.26 0.00 1.31 0.00 0.00 55.95 58.06 2dkr s SER 6 Cb -0.13 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.53 2dkr s SER 6 CO 0.03 -4.79 1.50 -0.83 0.41 0.00 0.00 173.24 169.56 2dkr s GLY 7 N -3.01 0.74 -0.27 3.44 0.00 -1.23 -4.97 107.32 102.03 2dkr s GLY 7 Ca 0.69 -1.38 -0.07 0.00 0.00 0.00 0.00 44.72 43.95 2dkr s GLY 7 CO 0.60 2.90 0.08 0.14 0.00 0.00 0.00 173.10 176.82 2dkr s VAL 8 N 6.71 4.14 -0.14 1.40 1.01 -1.26 -1.03 120.40 131.23 2dkr s VAL 8 Ca 0.47 -0.42 -0.03 0.00 0.00 0.00 0.00 61.98 62.00 2dkr s VAL 8 Cb -0.07 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2dkr s VAL 8 CO 0.10 0.21 -0.03 -0.69 0.00 0.00 0.00 175.10 174.69 2dkr s VAL 9 N 1.56 3.94 -0.16 2.92 1.01 0.08 -5.00 120.40 124.76 2dkr s VAL 9 Ca 0.05 -0.35 0.02 0.00 0.00 0.00 0.00 61.98 61.69 2dkr s VAL 9 Cb -0.16 -2.71 0.01 0.00 0.00 0.00 0.00 36.38 33.52 2dkr s VAL 9 CO 0.03 0.51 -0.20 -0.70 0.00 0.00 0.00 175.10 174.74 2dkr s GLU 10 N 0.13 3.03 0.19 2.72 -6.30 -1.26 -0.34 118.70 116.86 2dkr s GLU 10 Ca -0.01 -0.83 0.11 0.00 -2.50 0.00 0.00 54.97 51.75 2dkr s GLU 10 Cb -0.14 -2.52 -0.04 0.00 0.00 0.00 0.00 34.13 31.43 2dkr s GLU 10 CO 0.03 -0.10 -0.24 -0.51 0.02 0.00 0.00 175.26 174.45 2dkr s LEU 11 N 1.04 2.43 -0.01 2.70 1.43 -1.04 -5.02 118.68 120.20 2dkr s LEU 11 Ca -0.01 -0.85 -0.30 0.00 -1.03 0.00 0.00 54.13 51.93 2dkr s LEU 11 Cb -0.14 -1.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.84 2dkr s LEU 11 CO -0.07 0.13 1.46 -2.16 0.23 0.00 0.00 176.35 175.94 2dkr s PRO 12 N -2.61 4.25 -0.47 1.29 0.04 -1.26 -2.41 135.00 133.83 2dkr s PRO 12 Ca 0.20 2.02 -0.25 0.00 0.04 0.00 0.00 61.00 63.01 2dkr s PRO 12 Cb -0.08 -3.66 0.03 0.00 0.04 0.00 0.00 34.50 30.83 2dkr s PRO 12 CO 0.09 -0.65 0.90 0.21 0.04 0.00 0.00 177.00 177.59 2dkr s LYS 13 N 2.79 3.48 0.02 4.56 2.47 -1.08 -4.87 119.74 127.10 2dkr s LYS 13 Ca 0.66 0.05 -0.28 0.00 -1.56 0.00 0.00 55.97 54.84 2dkr s LYS 13 Cb -0.32 -3.95 0.07 0.00 -1.46 0.00 0.00 37.83 32.18 2dkr s LYS 13 CO 0.27 -1.24 0.68 -0.08 0.16 0.00 0.00 175.35 175.14 2dkr s THR 14 N 3.69 0.00 0.36 3.43 -1.32 -1.26 -4.59 115.64 115.95 2dkr s THR 14 Ca 0.35 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.04 2dkr s THR 14 Cb -0.11 -1.00 0.35 0.00 -1.51 0.00 0.00 72.50 70.23 2dkr s THR 14 CO 0.25 0.00 1.52 -0.90 -2.21 0.00 0.00 174.62 173.28 2dkr n ASP 15 N 0.44 0.33 -0.28 8.08 5.75 -1.26 -0.17 116.55 129.43 2dkr n ASP 15 Ca -0.18 1.58 0.13 0.00 -0.01 0.00 0.00 54.79 56.31 2dkr n ASP 15 Cb 0.60 -0.77 0.26 0.00 -1.03 0.00 0.00 41.12 40.17 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 2dkr n GLU 16 N -5.13 -0.06 0.00 0.11 -0.58 -1.26 -4.89 120.64 108.82 2dkr n GLU 16 Ca 0.37 1.22 0.00 0.00 -0.42 0.00 0.00 57.16 58.32 2dkr n GLU 16 Cb 1.27 -1.95 0.00 0.00 -0.57 0.00 0.00 31.44 30.19 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 -1.40 1.87 0.12 0.62 0.00 0.76 -4.93 105.19 102.24 2dkr n GLY 17 Ca 0.20 -1.98 -0.25 0.00 0.00 0.00 0.00 46.02 43.99 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 1.91 -0.03 0.99 7.99 -1.26 -4.47 117.00 122.13 2dkr n LEU 18 Ca 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 56.01 56.39 2dkr n LEU 18 Cb 0.00 -0.89 0.00 0.00 -0.11 0.00 0.00 43.42 42.42 2dkr n LEU 18 CO 0.00 0.40 0.00 0.61 -1.51 0.00 0.00 177.39 176.89 2dkr n GLY 19 N 1.35 0.72 3.15 -0.72 0.00 -1.26 0.07 105.19 108.50 2dkr n GLY 19 Ca -0.42 -0.02 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 -1.49 -0.07 0.21 1.61 -0.12 -1.26 -0.68 117.98 116.18 2dkr s PHE 20 Ca 0.00 0.11 0.11 0.00 -0.05 0.00 0.00 56.93 57.10 2dkr s PHE 20 Cb 0.00 0.02 -0.05 0.00 -0.63 0.00 0.00 43.02 42.36 2dkr s PHE 20 CO 0.00 -0.29 -0.23 -0.80 -0.05 0.00 0.00 175.22 173.84 2dkr s ASN 21 N -1.13 3.45 -0.02 1.98 0.01 0.23 -4.98 114.94 114.47 2dkr s ASN 21 Ca -0.12 -0.89 -0.04 0.00 -0.71 0.00 0.00 52.86 51.09 2dkr s ASN 21 Cb -0.06 -0.26 0.00 0.00 0.41 0.00 0.00 41.25 41.35 2dkr s ASN 21 CO 0.02 0.11 0.10 0.27 -1.51 0.00 0.00 177.10 176.09 2dkr s ILE 22 N -1.81 0.04 -0.00 0.60 -4.36 -1.26 -0.32 121.20 114.09 2dkr s ILE 22 Ca 0.22 -0.32 0.01 0.00 -0.26 0.00 0.00 60.65 60.30 2dkr s ILE 22 Cb -0.07 -0.25 -0.00 0.00 1.25 0.00 0.00 42.46 43.38 2dkr s ILE 22 CO 0.11 -0.17 -0.02 0.00 0.24 0.00 0.00 174.94 175.09 2dkr s MET 23 N -0.55 0.16 0.00 0.37 0.23 -1.22 -4.83 119.30 113.45 2dkr s MET 23 Ca -0.06 -0.06 0.00 0.00 -1.03 0.00 0.00 55.69 54.54 2dkr s MET 23 Cb -0.04 -0.16 0.00 0.00 -1.53 0.00 0.00 34.83 33.10 2dkr s MET 23 CO 0.00 0.03 0.00 0.41 -2.03 0.00 0.00 175.02 173.44 2dkr n GLY 24 N 3.08 2.73 0.00 3.16 0.00 -1.26 -4.24 105.19 108.66 2dkr n GLY 24 Ca -0.13 -1.88 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 0.58 0.36 0.04 -0.02 0.00 -1.24 -4.63 105.19 100.29 2dkr n GLY 25 Ca 0.00 0.48 -0.03 0.00 0.00 0.00 0.00 46.02 46.48 2dkr n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2dkr n LYS 26 N 0.00 0.27 -0.33 1.61 4.76 -1.26 -3.23 118.16 119.98 2dkr n LYS 26 Ca 0.00 0.42 0.13 0.00 -2.87 0.00 0.00 58.31 55.98 2dkr n LYS 26 Cb 0.00 -1.32 0.31 0.00 -1.84 0.00 0.00 35.03 32.18 2dkr n LYS 26 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 2dkr h GLU 27 N -0.61 0.63 0.00 1.97 4.81 -1.97 0.54 114.58 119.95 2dkr h GLU 27 Ca 0.00 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.14 2dkr h GLU 27 Cb 0.31 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.54 2dkr h GLU 27 CO 0.00 0.41 -0.23 1.96 -0.73 0.00 0.00 179.01 180.42 2dkr h GLN 28 N 0.65 0.00 -5.64 1.92 1.08 -1.95 -3.47 115.11 107.70 2dkr h GLN 28 Ca 0.57 0.00 -0.38 0.00 -1.45 0.00 0.00 58.65 57.39 2dkr h GLN 28 Cb 0.94 0.00 0.14 0.00 -0.05 0.00 0.00 27.48 28.51 2dkr h GLN 28 CO -0.42 0.23 -0.66 0.09 -0.95 0.00 0.00 178.83 177.12 2dkr n ASN 29 N -3.48 -6.02 -4.18 1.46 3.02 0.19 -4.90 115.26 101.36 2dkr n ASN 29 Ca -0.00 -0.52 -0.12 0.00 -0.03 0.00 0.00 54.58 53.90 2dkr n ASN 29 Cb 0.40 -4.85 -0.10 0.00 -0.61 0.00 0.00 39.78 34.62 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 2dkr s SER 30 N -3.36 1.31 0.17 6.41 0.01 -1.20 -5.02 113.70 112.02 2dkr s SER 30 Ca 0.54 -0.92 -0.30 0.00 1.31 0.00 0.00 55.95 56.58 2dkr s SER 30 Cb -0.24 0.05 -0.08 0.00 0.21 0.00 0.00 66.02 65.96 2dkr s SER 30 CO 0.70 -0.37 1.32 -2.16 0.41 0.00 0.00 173.24 173.14 2dkr s PRO 31 N -3.35 4.38 -0.16 12.44 0.04 -1.26 -3.61 135.00 143.48 2dkr s PRO 31 Ca 0.09 2.04 -0.29 0.00 0.04 0.00 0.00 61.00 62.88 2dkr s PRO 31 Cb 0.01 -3.22 -0.02 0.00 0.04 0.00 0.00 34.50 31.31 2dkr s PRO 31 CO -0.02 -0.29 1.40 0.42 0.04 0.00 0.00 177.00 178.54 2dkr s ILE 32 N 0.41 4.04 0.32 0.56 1.01 -1.26 -4.85 121.20 121.43 2dkr s ILE 32 Ca 0.59 1.25 0.03 0.00 0.00 0.00 0.00 60.65 62.51 2dkr s ILE 32 Cb -0.36 -3.85 -0.02 0.00 0.01 0.00 0.00 42.46 38.24 2dkr s ILE 32 CO 0.36 -0.16 0.33 -0.72 0.00 0.00 0.00 174.94 174.74 2dkr s TYR 33 N 3.87 1.43 -0.50 3.97 -0.85 -1.26 0.45 117.35 124.45 2dkr s TYR 33 Ca 0.61 -1.49 -0.27 0.00 -0.52 0.00 0.00 57.07 55.40 2dkr s TYR 33 Cb -0.24 -0.47 0.03 0.00 0.38 0.00 0.00 41.96 41.66 2dkr s TYR 33 CO 0.20 -0.94 1.04 0.42 -1.52 0.00 0.00 175.55 174.75 2dkr s ILE 34 N -3.41 4.30 -0.01 -3.49 -1.09 -0.69 -3.43 121.20 113.37 2dkr s ILE 34 Ca 0.37 0.83 -0.25 0.00 -2.23 0.00 0.00 60.65 59.37 2dkr s ILE 34 Cb 0.02 -4.55 -0.18 0.00 -1.58 0.00 0.00 42.46 36.17 2dkr s ILE 34 CO 0.23 -1.02 1.19 0.77 -1.23 0.00 0.00 174.94 174.88 2dkr h SER 35 N 9.25 -0.15 -4.47 3.58 4.64 -0.99 -2.17 113.55 123.24 2dkr h SER 35 Ca -0.24 -0.35 -0.16 0.00 -0.47 0.00 0.00 61.79 60.57 2dkr h SER 35 Cb 1.07 0.04 -0.23 0.00 -0.31 0.00 0.00 62.40 62.97 2dkr h SER 35 CO 1.09 0.30 -0.48 -0.60 -0.87 0.00 0.00 176.83 176.28 2dkr s ARG 36 N -4.28 0.38 -0.05 4.77 3.00 -1.23 -4.85 118.95 116.70 2dkr s ARG 36 Ca -0.15 -0.10 0.06 0.00 -1.00 0.00 0.00 55.73 54.55 2dkr s ARG 36 Cb 0.02 0.17 -0.02 0.00 0.00 0.00 0.00 34.95 35.12 2dkr s ARG 36 CO 0.59 -0.08 -0.24 0.08 0.00 0.00 0.00 175.30 175.65 2dkr s VAL 37 N -0.74 2.19 0.04 7.11 1.01 -1.26 0.74 120.40 129.49 2dkr s VAL 37 Ca -0.08 -1.03 -0.30 0.00 0.00 0.00 0.00 61.98 60.56 2dkr s VAL 37 Cb -0.05 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.47 2dkr s VAL 37 CO 0.01 0.57 1.66 -0.63 0.00 0.00 0.00 175.10 176.72 2dkr s ILE 38 N -0.37 3.20 -2.00 2.22 -1.09 0.15 -4.86 121.20 118.45 2dkr s ILE 38 Ca 0.03 0.54 0.11 0.00 -2.23 0.00 0.00 60.65 59.09 2dkr s ILE 38 Cb -0.12 -3.35 0.30 0.00 -1.58 0.00 0.00 42.46 37.71 2dkr s ILE 38 CO 0.02 -0.01 1.07 -0.81 -1.23 0.00 0.00 174.94 173.97 2dkr n PRO 39 N 6.05 0.48 -2.70 2.79 -0.04 -1.26 -3.15 135.00 137.16 2dkr n PRO 39 Ca 0.16 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.59 2dkr n PRO 39 Cb 0.41 -1.34 0.11 0.00 -0.04 0.00 0.00 33.50 32.64 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 -0.03 1.85 0.00 0.55 0.00 -1.26 -5.02 105.19 101.28 2dkr n GLY 40 Ca 0.08 -0.37 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 -1.14 4.61 0.14 -0.02 0.00 -1.19 -5.03 105.19 102.56 2dkr n GLY 41 Ca -0.09 -1.90 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 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 0.95 -0.93 1.61 2.07 -0.88 -3.21 116.25 115.86 2dkr h VAL 42 Ca 0.00 -2.47 0.04 0.00 0.82 0.00 0.00 66.70 65.09 2dkr h VAL 42 Cb 0.00 2.74 -0.06 0.00 -1.52 0.00 0.00 31.29 32.46 2dkr h VAL 42 CO 0.00 0.82 0.61 0.00 0.02 0.00 0.00 177.57 179.01 2dkr h ALA 43 N 0.06 1.24 -0.06 1.67 0.00 -0.61 0.31 119.26 121.87 2dkr h ALA 43 Ca -0.34 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.52 2dkr h ALA 43 Cb 2.00 -0.32 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 2dkr h ALA 43 CO 0.14 0.47 -0.00 0.22 0.00 0.00 0.00 179.25 180.08 2dkr h ASP 44 N 1.17 0.11 0.02 0.00 3.58 -1.76 -2.90 116.42 116.63 2dkr h ASP 44 Ca 0.37 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.52 2dkr h ASP 44 Cb 0.01 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.03 2dkr h ASP 44 CO -0.12 0.39 -0.03 0.03 -2.88 0.00 0.00 179.24 176.63 2dkr h ARG 45 N -0.18 -0.06 -0.31 0.28 3.08 -1.48 -3.12 114.38 112.58 2dkr h ARG 45 Ca 0.02 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.11 2dkr h ARG 45 Cb 0.34 0.01 -0.07 0.00 0.08 0.00 0.00 29.97 30.34 2dkr h ARG 45 CO 0.00 -0.04 -0.47 1.25 -1.07 0.00 0.00 179.97 179.65 2dkr h HIS 46 N -0.07 -1.42 -0.16 3.04 2.76 -0.96 -3.48 115.15 114.86 2dkr h HIS 46 Ca 0.01 0.07 0.00 0.00 -2.20 0.00 0.00 60.37 58.25 2dkr h HIS 46 Cb 0.07 0.66 0.00 0.00 1.55 0.00 0.00 27.41 29.69 2dkr h HIS 46 CO -0.10 -0.42 0.00 0.41 -1.30 0.00 0.00 177.93 176.52 2dkr n GLY 47 N -1.32 -0.02 0.00 5.26 0.00 -1.10 -5.04 105.19 102.97 2dkr n GLY 47 Ca -0.03 -0.79 0.00 0.00 0.00 0.00 0.00 46.02 45.20 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 0.78 1.89 3.79 -0.02 0.00 -1.26 -5.12 105.19 105.25 2dkr n GLY 48 Ca 0.00 -0.14 -0.39 0.00 0.00 0.00 0.00 46.02 45.49 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 4.53 0.23 0.99 1.43 -1.26 -5.06 118.68 119.54 2dkr s LEU 49 Ca 0.00 1.53 -0.22 0.00 -1.03 0.00 0.00 54.13 54.42 2dkr s LEU 49 Cb 0.00 -3.28 0.04 0.00 0.03 0.00 0.00 46.19 42.98 2dkr s LEU 49 CO 0.00 0.19 0.66 -1.59 0.23 0.00 0.00 176.35 175.83 2dkr s LYS 50 N -1.31 1.56 0.08 1.70 0.00 -1.26 -4.79 119.74 115.72 2dkr s LYS 50 Ca 0.36 -0.78 -0.30 0.00 0.00 0.00 0.00 55.97 55.25 2dkr s LYS 50 Cb -0.21 0.60 -0.10 0.00 0.00 0.00 0.00 37.83 38.12 2dkr s LYS 50 CO 0.24 -0.70 1.90 0.50 0.00 0.00 0.00 175.35 177.29 2dkr s ARG 51 N -3.85 4.14 0.00 1.78 3.52 -1.26 -2.66 118.95 120.62 2dkr s ARG 51 Ca 0.07 2.61 0.00 0.00 -0.13 0.00 0.00 55.73 58.28 2dkr s ARG 51 Cb -0.04 -3.88 0.00 0.00 -1.56 0.00 0.00 34.95 29.47 2dkr s ARG 51 CO -0.02 -0.90 0.00 0.41 -0.81 0.00 0.00 175.30 173.98 2dkr n GLY 52 N 4.40 2.91 3.66 8.12 0.00 -0.82 -4.95 105.19 118.51 2dkr n GLY 52 Ca 0.19 -0.81 -0.46 0.00 0.00 0.00 0.00 46.02 44.93 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 2.93 -4.64 1.61 8.00 -1.09 -4.60 116.55 118.77 2dkr n ASP 53 Ca 0.00 1.09 -0.39 0.00 0.71 0.00 0.00 54.79 56.20 2dkr n ASP 53 Cb 0.00 -1.41 -0.08 0.00 -0.02 0.00 0.00 41.12 39.62 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 0.72 4.11 -0.12 -1.24 0.74 -1.26 -1.71 119.66 120.90 2dkr s GLN 54 Ca 0.78 0.23 -0.29 0.00 0.05 0.00 0.00 55.36 56.13 2dkr s GLN 54 Cb -0.70 -3.60 -0.05 0.00 1.10 0.00 0.00 33.01 29.77 2dkr s GLN 54 CO 0.40 -0.20 1.67 -1.17 -0.55 0.00 0.00 175.29 175.44 2dkr s LEU 55 N 1.83 4.14 -0.19 3.68 2.96 0.17 -3.35 118.68 127.92 2dkr s LEU 55 Ca 0.19 2.01 -0.18 0.00 -0.22 0.00 0.00 54.13 55.93 2dkr s LEU 55 Cb -0.15 -3.53 -0.15 0.00 0.50 0.00 0.00 46.19 42.86 2dkr s LEU 55 CO 0.09 -1.09 0.10 0.18 -1.32 0.00 0.00 176.35 174.31 2dkr n LEU 56 N 7.79 1.85 -3.67 -0.68 4.77 0.46 -4.44 117.00 123.08 2dkr n LEU 56 Ca 0.18 0.48 -0.14 0.00 -0.03 0.00 0.00 56.01 56.50 2dkr n LEU 56 Cb 0.44 -0.94 -0.07 0.00 -2.33 0.00 0.00 43.42 40.52 2dkr n LEU 56 CO 0.63 0.09 0.15 -0.44 -1.33 0.00 0.00 177.39 176.49 2dkr s SER 57 N -6.58 -0.31 -0.01 -1.43 0.01 -1.24 -2.62 113.70 101.53 2dkr s SER 57 Ca -0.25 0.12 0.03 0.00 1.31 0.00 0.00 55.95 57.15 2dkr s SER 57 Cb 0.05 0.41 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2dkr s SER 57 CO 0.49 -0.60 -0.08 -0.69 0.41 0.00 0.00 173.24 172.77 2dkr s VAL 58 N -1.98 0.68 -1.31 3.43 1.01 0.11 -2.01 120.40 120.33 2dkr s VAL 58 Ca -0.08 -0.36 -0.06 0.00 0.00 0.00 0.00 61.98 61.47 2dkr s VAL 58 Cb -0.02 -0.57 0.04 0.00 0.00 0.00 0.00 36.38 35.83 2dkr s VAL 58 CO 0.01 0.19 0.41 0.59 0.00 0.00 0.00 175.10 176.31 2dkr n ASN 59 N 2.91 -4.32 -0.73 3.32 5.03 -0.98 0.00 115.26 120.48 2dkr n ASN 59 Ca -0.14 -0.24 -0.07 0.00 0.87 0.00 0.00 54.58 54.99 2dkr n ASN 59 Cb 0.57 -3.57 -0.02 0.00 -1.02 0.00 0.00 39.78 35.74 2dkr n ASN 59 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 2dkr n GLY 60 N -1.18 0.46 3.02 7.41 0.00 -1.26 -5.01 105.19 108.64 2dkr n GLY 60 Ca -0.07 -0.63 -0.24 0.00 0.00 0.00 0.00 46.02 45.08 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 -2.33 1.10 -0.36 1.61 1.01 0.10 -5.10 120.40 116.43 2dkr s VAL 61 Ca 0.00 -0.47 -0.29 0.00 0.00 0.00 0.00 61.98 61.22 2dkr s VAL 61 Cb 0.00 -1.00 0.00 0.00 0.00 0.00 0.00 36.38 35.38 2dkr s VAL 61 CO 0.00 0.34 1.47 -0.55 0.00 0.00 0.00 175.10 176.36 2dkr s SER 62 N 0.58 6.33 0.09 3.32 0.15 -1.26 0.06 113.70 122.97 2dkr s SER 62 Ca -0.13 1.04 0.22 0.00 0.70 0.00 0.00 55.95 57.79 2dkr s SER 62 Cb -0.15 -2.54 -0.09 0.00 -1.71 0.00 0.00 66.02 61.53 2dkr s SER 62 CO 0.03 -1.39 0.87 1.33 1.20 0.00 0.00 173.24 175.27 2dkr n VAL 63 N 6.91 0.31 -0.34 4.45 0.24 -1.08 -4.24 118.33 124.57 2dkr n VAL 63 Ca 0.17 -0.45 0.17 0.00 -2.04 0.00 0.00 64.34 62.19 2dkr n VAL 63 Cb 0.47 -0.09 0.38 0.00 -1.47 0.00 0.00 33.84 33.13 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 0.00 0.58 -1.37 7.34 4.39 -1.74 -0.11 114.58 123.66 2dkr h GLU 64 Ca 0.00 -0.03 -0.68 0.00 0.34 0.00 0.00 59.36 58.99 2dkr h GLU 64 Cb 0.93 -0.13 -0.32 0.00 -0.10 0.00 0.00 28.75 29.12 2dkr h GLU 64 CO 0.00 0.38 0.45 0.41 -1.16 0.00 0.00 179.01 179.09 2dkr n GLY 65 N -1.31 5.86 3.38 -3.84 0.00 -1.26 -4.97 105.19 103.04 2dkr n GLY 65 Ca 0.26 -2.49 -0.11 0.00 0.00 0.00 0.00 46.02 43.69 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 -3.84 1.38 0.60 1.61 0.41 -0.06 -5.13 118.70 113.68 2dkr s GLU 66 Ca 0.56 -1.47 -0.15 0.00 -0.41 0.00 0.00 54.97 53.49 2dkr s GLU 66 Cb 0.46 0.36 -0.03 0.00 -1.78 0.00 0.00 34.13 33.14 2dkr s GLU 66 CO -0.17 -0.52 1.06 -0.65 -0.49 0.00 0.00 175.26 174.50 2dkr s GLN 67 N -4.06 3.29 0.21 1.61 1.11 -1.26 -4.49 119.66 116.07 2dkr s GLN 67 Ca 0.32 1.19 -0.09 0.00 0.01 0.00 0.00 55.36 56.78 2dkr s GLN 67 Cb 0.03 -2.03 0.27 0.00 -1.01 0.00 0.00 33.01 30.28 2dkr s GLN 67 CO 0.11 -0.83 1.77 1.25 0.01 0.00 0.00 175.29 177.60 2dkr h HIS 68 N 0.35 0.53 -0.81 0.91 -0.00 -1.90 -1.84 115.15 112.39 2dkr h HIS 68 Ca -0.47 0.03 0.20 0.00 -0.00 0.00 0.00 60.37 60.13 2dkr h HIS 68 Cb 1.22 -0.14 -0.13 0.00 -0.00 0.00 0.00 27.41 28.36 2dkr h HIS 68 CO 0.59 0.19 0.17 0.93 -0.00 0.00 0.00 177.93 179.81 2dkr h GLU 69 N 0.53 0.20 -0.17 5.26 3.07 -1.93 -1.47 114.58 120.06 2dkr h GLU 69 Ca 0.31 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.19 2dkr h GLU 69 Cb 0.31 -0.05 -0.07 0.00 -0.84 0.00 0.00 28.75 28.11 2dkr h GLU 69 CO -0.25 0.13 -0.54 -0.22 -1.40 0.00 0.00 179.01 176.73 2dkr h LYS 70 N 0.21 -0.54 -0.97 2.33 1.63 -1.71 -0.18 116.57 117.34 2dkr h LYS 70 Ca 0.48 0.04 0.31 0.00 -0.85 0.00 0.00 60.65 60.63 2dkr h LYS 70 Cb 0.91 0.12 -0.17 0.00 -0.60 0.00 0.00 32.23 32.49 2dkr h LYS 70 CO -0.62 -0.36 0.26 0.00 -3.45 0.00 0.00 179.45 175.29 2dkr h ALA 71 N -0.24 1.55 -0.13 5.00 0.00 -1.32 0.39 119.26 124.50 2dkr h ALA 71 Ca 0.04 0.28 -0.02 0.00 0.00 0.00 0.00 54.91 55.21 2dkr h ALA 71 Cb 0.67 0.43 -0.00 0.00 0.00 0.00 0.00 17.79 18.88 2dkr h ALA 71 CO -0.46 -0.67 -0.01 0.28 0.00 0.00 0.00 179.25 178.39 2dkr h VAL 72 N 0.07 1.27 -0.44 0.00 2.07 -1.01 -2.99 116.25 115.22 2dkr h VAL 72 Ca 0.67 -0.89 0.07 0.00 0.82 0.00 0.00 66.70 67.38 2dkr h VAL 72 Cb 1.54 1.60 -0.06 0.00 -1.52 0.00 0.00 31.29 32.86 2dkr h VAL 72 CO -0.80 0.26 0.09 -0.33 0.02 0.00 0.00 177.57 176.81 2dkr h GLU 73 N -0.05 0.22 -0.08 1.57 4.39 0.12 -2.54 114.58 118.21 2dkr h GLU 73 Ca 0.04 -0.01 0.04 0.00 0.34 0.00 0.00 59.36 59.76 2dkr h GLU 73 Cb 0.40 -0.05 -0.06 0.00 -0.10 0.00 0.00 28.75 28.94 2dkr h GLU 73 CO 0.01 0.15 -0.35 -0.07 -1.16 0.00 0.00 179.01 177.59 2dkr h LEU 74 N 0.23 -1.07 -0.55 1.33 3.38 -1.02 0.19 115.31 117.79 2dkr h LEU 74 Ca 0.22 0.15 0.11 0.00 0.09 0.00 0.00 57.88 58.44 2dkr h LEU 74 Cb 0.27 0.44 -0.11 0.00 0.09 0.00 0.00 40.66 41.35 2dkr h LEU 74 CO -0.28 -0.39 -0.26 -0.07 0.09 0.00 0.00 178.44 177.53 2dkr h LEU 75 N -0.45 -0.89 -0.69 1.67 3.38 -1.31 0.29 115.31 117.30 2dkr h LEU 75 Ca 0.08 0.20 -0.01 0.00 0.09 0.00 0.00 57.88 58.24 2dkr h LEU 75 Cb 0.58 0.48 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 2dkr h LEU 75 CO -0.34 -0.27 0.39 0.11 0.09 0.00 0.00 178.44 178.43 2dkr h LYS 76 N -0.12 0.94 -0.72 1.13 1.57 -1.04 -2.68 116.57 115.65 2dkr h LYS 76 Ca 0.25 -0.10 0.13 0.00 -1.87 0.00 0.00 60.65 59.06 2dkr h LYS 76 Cb 0.51 -0.19 -0.09 0.00 0.08 0.00 0.00 32.23 32.54 2dkr h LYS 76 CO -0.63 0.69 0.28 0.00 -0.57 0.00 0.00 179.45 179.23 2dkr h ALA 77 N 1.20 0.99 -2.79 3.86 0.00 0.14 -3.41 119.26 119.25 2dkr h ALA 77 Ca 0.24 0.11 -0.53 0.00 0.00 0.00 0.00 54.91 54.73 2dkr h ALA 77 Cb 0.01 0.09 0.08 0.00 0.00 0.00 0.00 17.79 17.97 2dkr h ALA 77 CO -0.04 -0.21 0.91 0.00 0.00 0.00 0.00 179.25 179.92 2dkr s ALA 78 N -6.04 3.78 -0.04 0.00 0.00 -0.59 -4.91 121.76 113.96 2dkr s ALA 78 Ca -0.13 1.60 0.02 0.00 0.00 0.00 0.00 51.96 53.45 2dkr s ALA 78 Cb 0.20 -3.66 -0.04 0.00 0.00 0.00 0.00 23.12 19.61 2dkr s ALA 78 CO 0.76 -1.00 -0.02 1.04 0.00 0.00 0.00 175.76 176.54 2dkr n GLN 79 N 2.37 1.60 -0.08 0.00 6.02 -1.26 -4.85 117.38 121.17 2dkr n GLN 79 Ca 0.09 0.01 -0.10 0.00 -0.01 0.00 0.00 57.00 56.99 2dkr n GLN 79 Cb 0.37 -1.10 -0.05 0.00 1.02 0.00 0.00 30.24 30.48 2dkr n GLN 79 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2dkr n GLY 80 N 3.03 -0.89 3.40 1.08 0.00 -1.26 -4.74 105.19 105.81 2dkr n GLY 80 Ca -0.08 -0.09 -0.13 0.00 0.00 0.00 0.00 46.02 45.72 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 -6.12 -0.46 -0.01 1.61 1.04 -1.26 -2.62 113.70 105.88 2dkr s SER 81 Ca -0.20 0.07 0.06 0.00 0.48 0.00 0.00 55.95 56.36 2dkr s SER 81 Cb 0.04 0.53 -0.03 0.00 0.10 0.00 0.00 66.02 66.66 2dkr s SER 81 CO 0.34 -0.82 -0.20 0.68 0.98 0.00 0.00 173.24 174.23 2dkr s VAL 82 N -3.03 2.63 -0.37 5.02 -7.23 -1.01 -4.83 120.40 111.59 2dkr s VAL 82 Ca -0.02 -1.02 -0.06 0.00 -1.81 0.00 0.00 61.98 59.07 2dkr s VAL 82 Cb -0.00 -2.02 0.06 0.00 0.56 0.00 0.00 36.38 34.98 2dkr s VAL 82 CO -0.06 0.49 0.15 -0.75 -0.31 0.00 0.00 175.10 174.62 2dkr s LYS 83 N -0.95 2.50 -0.36 4.82 2.20 -1.26 -2.48 119.74 124.20 2dkr s LYS 83 Ca 0.12 -1.36 -0.12 0.00 -0.36 0.00 0.00 55.97 54.25 2dkr s LYS 83 Cb -0.10 -3.53 0.01 0.00 -1.51 0.00 0.00 37.83 32.70 2dkr s LYS 83 CO 0.02 -0.80 0.22 -0.51 -0.36 0.00 0.00 175.35 173.91 2dkr s LEU 84 N 1.35 4.63 -0.16 5.43 1.43 0.54 -2.33 118.68 129.57 2dkr s LEU 84 Ca 0.01 -0.80 -0.08 0.00 -1.03 0.00 0.00 54.13 52.23 2dkr s LEU 84 Cb -0.21 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 43.91 2dkr s LEU 84 CO 0.01 -0.34 0.12 -0.69 0.23 0.00 0.00 176.35 175.68 2dkr s VAL 85 N 1.61 5.32 0.29 -1.59 1.01 -0.85 -0.74 120.40 125.45 2dkr s VAL 85 Ca 0.04 0.15 0.04 0.00 0.00 0.00 0.00 61.98 62.21 2dkr s VAL 85 Cb -0.18 -3.37 -0.06 0.00 0.00 0.00 0.00 36.38 32.77 2dkr s VAL 85 CO 0.08 0.53 0.03 0.68 0.00 0.00 0.00 175.10 176.41 2dkr s VAL 86 N -0.30 1.16 -0.17 2.92 -7.23 -0.20 -0.40 120.40 116.18 2dkr s VAL 86 Ca 0.11 -2.03 -0.04 0.00 -1.81 0.00 0.00 61.98 58.21 2dkr s VAL 86 Cb -0.12 -2.60 -0.03 0.00 0.56 0.00 0.00 36.38 34.20 2dkr s VAL 86 CO 0.01 -0.14 -0.03 -0.60 -0.31 0.00 0.00 175.10 174.03 2dkr s ARG 87 N -3.87 3.64 0.09 4.82 3.52 -1.21 -3.48 118.95 122.46 2dkr s ARG 87 Ca 0.33 -0.53 0.03 0.00 -0.13 0.00 0.00 55.73 55.44 2dkr s ARG 87 Cb 0.07 -2.95 -0.04 0.00 -1.56 0.00 0.00 34.95 30.48 2dkr s ARG 87 CO 0.13 0.17 -0.09 -1.12 -0.81 0.00 0.00 175.30 173.58 2dkr s SER 88 N 0.55 1.38 0.00 -2.12 0.01 -1.26 -4.60 113.70 107.66 2dkr s SER 88 Ca -0.03 -0.82 0.00 0.00 1.31 0.00 0.00 55.95 56.42 2dkr s SER 88 Cb -0.14 0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.11 2dkr s SER 88 CO 0.03 -0.28 0.00 0.61 0.41 0.00 0.00 173.24 174.00 2dkr n GLY 89 N 0.55 4.77 3.77 3.44 0.00 -1.26 -4.97 105.19 111.48 2dkr n GLY 89 Ca -0.16 -2.06 -0.31 0.00 0.00 0.00 0.00 46.02 43.49 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 1.34 2.24 1.12 1.61 0.04 -1.26 -5.01 135.00 135.08 2dkr s PRO 90 Ca 0.00 1.16 -0.16 0.00 0.04 0.00 0.00 61.00 62.04 2dkr s PRO 90 Cb 0.00 -1.89 0.15 0.00 0.04 0.00 0.00 34.50 32.80 2dkr s PRO 90 CO 0.00 -1.66 0.37 -1.13 0.04 0.00 0.00 177.00 174.62 2dkr n SER 91 N -3.53 -2.09 -4.30 6.66 3.41 -1.26 -5.01 113.62 107.50 2dkr n SER 91 Ca 0.09 -0.08 -0.32 0.00 -0.26 0.00 0.00 58.87 58.30 2dkr n SER 91 Cb 0.53 -1.08 -0.16 0.00 -0.26 0.00 0.00 64.21 63.24 2dkr n SER 91 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2dkr s SER 92 N -2.04 3.51 0.00 4.04 0.15 -1.26 -5.32 113.70 112.78 2dkr s SER 92 Ca 0.60 -0.44 0.00 0.00 0.70 0.00 0.00 55.95 56.81 2dkr s SER 92 Cb -0.17 -1.41 0.00 0.00 -1.71 0.00 0.00 66.02 62.73 2dkr s SER 92 CO 0.66 0.18 0.00 0.61 1.20 0.00 0.00 173.24 175.89