#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 -0.53 -2.76 1.61 0.02 -2.13 -3.46 113.55 106.30 2dkr h SER 2 Ca 0.00 -0.09 -0.52 0.00 -0.84 0.00 0.00 61.79 60.35 2dkr h SER 2 Cb 0.00 0.14 -0.14 0.00 0.14 0.00 0.00 62.40 62.54 2dkr h SER 2 CO 0.00 -0.16 -0.64 -0.44 -1.14 0.00 0.00 176.83 174.45 2dkr s SER 3 N -4.83 2.89 0.00 3.07 0.01 -1.26 -5.15 113.70 108.43 2dkr s SER 3 Ca -0.14 -1.28 0.00 0.00 1.31 0.00 0.00 55.95 55.84 2dkr s SER 3 Cb 0.02 -0.19 0.00 0.00 0.21 0.00 0.00 66.02 66.06 2dkr s SER 3 CO 0.48 -0.43 0.00 0.61 0.41 0.00 0.00 173.24 174.31 2dkr n GLY 4 N -0.69 2.00 3.64 3.44 0.00 -1.26 -5.14 105.19 107.17 2dkr n GLY 4 Ca -0.04 -0.61 -0.35 0.00 0.00 0.00 0.00 46.02 45.02 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 2.00 5.82 1.02 1.61 0.01 -1.26 -5.09 113.70 117.81 2dkr s SER 5 Ca 0.00 0.08 -0.13 0.00 1.31 0.00 0.00 55.95 57.21 2dkr s SER 5 Cb 0.00 -2.02 0.20 0.00 0.21 0.00 0.00 66.02 64.41 2dkr s SER 5 CO 0.00 0.12 1.10 -0.44 0.41 0.00 0.00 173.24 174.43 2dkr s SER 6 N 0.72 2.45 -1.30 2.44 0.01 -1.26 -4.91 113.70 111.84 2dkr s SER 6 Ca 0.05 1.07 -0.16 0.00 1.31 0.00 0.00 55.95 58.22 2dkr s SER 6 Cb -0.13 -1.68 0.09 0.00 0.21 0.00 0.00 66.02 64.52 2dkr s SER 6 CO 0.02 -3.23 1.74 0.61 0.41 0.00 0.00 173.24 172.79 2dkr n GLY 7 N -1.21 3.04 3.69 3.44 0.00 -1.25 -4.96 105.19 107.94 2dkr n GLY 7 Ca 0.06 -1.62 -0.41 0.00 0.00 0.00 0.00 46.02 44.06 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 3.43 4.97 -0.25 1.61 0.11 -1.26 -2.78 120.40 126.22 2dkr s VAL 8 Ca 0.50 1.51 -0.09 0.00 -2.93 0.00 0.00 61.98 60.97 2dkr s VAL 8 Cb 0.04 -4.08 -0.04 0.00 -1.53 0.00 0.00 36.38 30.77 2dkr s VAL 8 CO 0.04 0.14 0.12 -0.69 -3.33 0.00 0.00 175.10 171.38 2dkr s VAL 9 N 1.50 4.83 -0.36 2.04 1.01 0.76 -4.93 120.40 125.25 2dkr s VAL 9 Ca 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 61.98 62.24 2dkr s VAL 9 Cb -0.17 -3.27 0.01 0.00 0.00 0.00 0.00 36.38 32.95 2dkr s VAL 9 CO 0.15 0.32 0.21 -0.70 0.00 0.00 0.00 175.10 175.08 2dkr s GLU 10 N 1.49 3.03 0.06 2.72 -6.30 -1.26 -1.07 118.70 117.37 2dkr s GLU 10 Ca 0.06 -0.94 0.05 0.00 -2.50 0.00 0.00 54.97 51.64 2dkr s GLU 10 Cb -0.15 -3.74 -0.04 0.00 0.00 0.00 0.00 34.13 30.20 2dkr s GLU 10 CO 0.06 -0.62 -0.07 -0.51 0.02 0.00 0.00 175.26 174.14 2dkr s LEU 11 N 1.60 3.14 -0.22 2.70 1.43 -0.98 -4.96 118.68 121.39 2dkr s LEU 11 Ca 0.03 -0.26 -0.29 0.00 -1.03 0.00 0.00 54.13 52.58 2dkr s LEU 11 Cb -0.18 -1.87 -0.03 0.00 0.03 0.00 0.00 46.19 44.14 2dkr s LEU 11 CO 0.07 0.22 1.61 -2.16 0.23 0.00 0.00 176.35 176.33 2dkr s PRO 12 N -1.88 3.80 -0.45 1.29 0.04 -1.26 -2.02 135.00 134.51 2dkr s PRO 12 Ca 0.20 1.67 -0.27 0.00 0.04 0.00 0.00 61.00 62.63 2dkr s PRO 12 Cb -0.11 -4.03 -0.03 0.00 0.04 0.00 0.00 34.50 30.37 2dkr s PRO 12 CO 0.12 -1.29 1.90 0.21 0.04 0.00 0.00 177.00 177.98 2dkr s LYS 13 N 4.67 2.92 -0.17 4.56 2.47 -1.15 -4.93 119.74 128.11 2dkr s LYS 13 Ca 0.71 1.13 -0.05 0.00 -1.56 0.00 0.00 55.97 56.21 2dkr s LYS 13 Cb -0.25 -4.32 0.09 0.00 -1.46 0.00 0.00 37.83 31.89 2dkr s LYS 13 CO 0.29 -2.35 0.30 0.95 0.16 0.00 0.00 175.35 174.70 2dkr s THR 14 N 8.35 -0.47 0.48 3.43 -4.23 -1.26 -4.84 115.64 117.10 2dkr s THR 14 Ca 0.78 0.14 0.41 0.00 -1.18 0.00 0.00 61.69 61.83 2dkr s THR 14 Cb -0.18 -0.58 0.61 0.00 1.34 0.00 0.00 72.50 73.68 2dkr s THR 14 CO 0.28 0.02 1.46 0.47 -0.54 0.00 0.00 174.62 176.31 2dkr n ASP 15 N 5.35 0.08 -0.33 3.99 8.00 -1.26 -0.65 116.55 131.73 2dkr n ASP 15 Ca -0.06 1.08 0.29 0.00 0.71 0.00 0.00 54.79 56.81 2dkr n ASP 15 Cb 0.50 -0.54 0.48 0.00 -0.02 0.00 0.00 41.12 41.55 2dkr n ASP 15 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 2dkr n GLU 16 N -4.11 -0.03 0.00 -1.24 -0.58 -1.26 -4.76 120.64 108.66 2dkr n GLU 16 Ca 0.40 0.91 0.00 0.00 -0.42 0.00 0.00 57.16 58.06 2dkr n GLU 16 Cb 1.73 -1.79 0.00 0.00 -0.57 0.00 0.00 31.44 30.81 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 -1.36 3.91 0.08 0.62 0.00 0.17 -5.04 105.19 103.57 2dkr n GLY 17 Ca 0.29 -1.32 -0.11 0.00 0.00 0.00 0.00 46.02 44.88 2dkr n GLY 17 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2dkr h LEU 18 N 0.00 0.00 0.00 0.99 3.38 -1.86 -3.35 115.31 114.47 2dkr h LEU 18 Ca 0.00 -0.39 0.00 0.00 0.09 0.00 0.00 57.88 57.58 2dkr h LEU 18 Cb 0.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.75 2dkr h LEU 18 CO 0.00 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.13 2dkr n GLY 19 N 1.59 1.62 3.14 0.83 0.00 -1.26 0.15 105.19 111.26 2dkr n GLY 19 Ca -0.14 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.75 2dkr n GLY 19 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2dkr s PHE 20 N -2.00 -0.23 0.02 1.61 -0.12 -1.26 -0.12 117.98 115.88 2dkr s PHE 20 Ca 0.00 0.54 0.07 0.00 -0.05 0.00 0.00 56.93 57.48 2dkr s PHE 20 Cb 0.00 0.08 -0.02 0.00 -0.63 0.00 0.00 43.02 42.45 2dkr s PHE 20 CO 0.00 -0.18 -0.20 -0.80 -0.05 0.00 0.00 175.22 173.99 2dkr s ASN 21 N -0.19 2.37 0.10 1.98 -0.87 0.21 -4.98 114.94 113.55 2dkr s ASN 21 Ca -0.03 -0.46 0.05 0.00 -1.57 0.00 0.00 52.86 50.85 2dkr s ASN 21 Cb -0.03 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.25 40.95 2dkr s ASN 21 CO 0.01 0.18 -0.12 0.27 -2.57 0.00 0.00 177.10 174.87 2dkr s ILE 22 N -0.69 1.10 0.01 0.60 -4.36 -1.26 -0.47 121.20 116.13 2dkr s ILE 22 Ca 0.07 -1.55 -0.01 0.00 -0.26 0.00 0.00 60.65 58.91 2dkr s ILE 22 Cb -0.08 -1.30 -0.01 0.00 1.25 0.00 0.00 42.46 42.31 2dkr s ILE 22 CO 0.01 -0.41 -0.00 0.00 0.24 0.00 0.00 174.94 174.77 2dkr s MET 23 N -2.41 0.23 0.00 0.37 0.23 -1.22 -4.87 119.30 111.63 2dkr s MET 23 Ca 0.04 -0.39 0.00 0.00 -1.03 0.00 0.00 55.69 54.30 2dkr s MET 23 Cb -0.06 0.08 0.00 0.00 -1.53 0.00 0.00 34.83 33.33 2dkr s MET 23 CO 0.02 -0.04 0.00 0.41 -2.03 0.00 0.00 175.02 173.38 2dkr n GLY 24 N 2.06 2.04 0.00 3.16 0.00 -1.26 -4.04 105.19 107.15 2dkr n GLY 24 Ca -0.20 -1.96 0.00 0.00 0.00 0.00 0.00 46.02 43.86 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 1.56 -0.19 0.03 -0.02 0.00 -1.21 -4.52 105.19 100.85 2dkr n GLY 25 Ca 0.00 0.49 -0.02 0.00 0.00 0.00 0.00 46.02 46.49 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 0.20 -0.32 1.61 4.76 -1.26 -3.12 118.16 120.03 2dkr n LYS 26 Ca 0.00 0.35 0.16 0.00 -2.87 0.00 0.00 58.31 55.95 2dkr n LYS 26 Cb 0.00 -1.14 0.36 0.00 -1.84 0.00 0.00 35.03 32.41 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 -0.43 0.40 0.00 1.97 4.57 -1.97 0.98 114.58 120.11 2dkr h GLU 27 Ca 0.00 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.10 2dkr h GLU 27 Cb 0.23 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.73 2dkr h GLU 27 CO 0.00 0.26 -0.26 1.96 -1.18 0.00 0.00 179.01 179.79 2dkr h GLN 28 N 0.41 0.00 -5.01 1.92 4.20 -1.95 -3.47 115.11 111.22 2dkr h GLN 28 Ca 0.62 0.00 -0.38 0.00 0.06 0.00 0.00 58.65 58.95 2dkr h GLN 28 Cb 1.23 0.00 0.10 0.00 0.30 0.00 0.00 27.48 29.11 2dkr h GLN 28 CO -0.55 0.26 -0.61 0.09 -0.67 0.00 0.00 178.83 177.36 2dkr n ASN 29 N -3.41 -6.05 -4.20 1.46 4.13 0.34 -4.90 115.26 102.63 2dkr n ASN 29 Ca 0.00 -0.41 -0.15 0.00 1.68 0.00 0.00 54.58 55.70 2dkr n ASN 29 Cb 0.46 -4.75 -0.11 0.00 -1.54 0.00 0.00 39.78 33.84 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.94 0.28 0.00 0.00 177.26 176.60 2dkr s SER 30 N -3.06 1.63 0.17 6.41 1.04 -1.18 -5.01 113.70 113.69 2dkr s SER 30 Ca 0.44 -0.84 -0.30 0.00 0.48 0.00 0.00 55.95 55.72 2dkr s SER 30 Cb -0.20 -0.01 -0.08 0.00 0.10 0.00 0.00 66.02 65.83 2dkr s SER 30 CO 0.55 -0.25 1.32 -2.16 0.98 0.00 0.00 173.24 173.69 2dkr s PRO 31 N -2.92 4.37 -0.00 4.02 0.04 -1.26 -3.30 135.00 135.95 2dkr s PRO 31 Ca 0.08 2.04 -0.30 0.00 0.04 0.00 0.00 61.00 62.86 2dkr s PRO 31 Cb -0.02 -3.22 -0.05 0.00 0.04 0.00 0.00 34.50 31.25 2dkr s PRO 31 CO 0.01 -0.30 1.28 0.42 0.04 0.00 0.00 177.00 178.45 2dkr s ILE 32 N 0.45 3.97 0.29 0.56 1.01 -1.26 -4.84 121.20 121.37 2dkr s ILE 32 Ca 0.59 1.35 -0.03 0.00 0.00 0.00 0.00 60.65 62.56 2dkr s ILE 32 Cb -0.36 -3.87 -0.01 0.00 0.01 0.00 0.00 42.46 38.23 2dkr s ILE 32 CO 0.35 0.02 0.37 -0.72 0.00 0.00 0.00 174.94 174.97 2dkr s TYR 33 N 2.01 1.03 -0.65 3.97 -0.85 -1.26 0.21 117.35 121.81 2dkr s TYR 33 Ca 0.60 -1.24 -0.26 0.00 -0.52 0.00 0.00 57.07 55.64 2dkr s TYR 33 Cb -0.29 -0.22 0.04 0.00 0.38 0.00 0.00 41.96 41.87 2dkr s TYR 33 CO 0.25 -0.96 1.15 0.42 -1.52 0.00 0.00 175.55 174.89 2dkr s ILE 34 N -3.56 4.01 0.01 -3.49 -1.09 0.94 -3.39 121.20 114.62 2dkr s ILE 34 Ca 0.32 0.40 -0.22 0.00 -2.23 0.00 0.00 60.65 58.92 2dkr s ILE 34 Cb 0.02 -4.77 -0.17 0.00 -1.58 0.00 0.00 42.46 35.96 2dkr s ILE 34 CO 0.17 -1.53 1.27 -1.28 -1.23 0.00 0.00 174.94 172.34 2dkr h SER 35 N 9.70 0.26 -5.22 3.58 0.87 -1.11 0.27 113.55 121.90 2dkr h SER 35 Ca -0.27 -0.53 -0.12 0.00 -1.23 0.00 0.00 61.79 59.64 2dkr h SER 35 Cb 1.06 -0.07 -0.15 0.00 -0.44 0.00 0.00 62.40 62.79 2dkr h SER 35 CO 1.21 0.74 -0.65 -0.60 -0.53 0.00 0.00 176.83 176.99 2dkr s ARG 36 N -4.10 0.62 -0.02 2.24 3.52 -1.15 -4.78 118.95 115.28 2dkr s ARG 36 Ca -0.15 -1.17 0.01 0.00 -0.13 0.00 0.00 55.73 54.29 2dkr s ARG 36 Cb 0.04 0.22 0.01 0.00 -1.56 0.00 0.00 34.95 33.65 2dkr s ARG 36 CO 0.73 -0.12 -0.02 0.08 -0.81 0.00 0.00 175.30 175.16 2dkr s VAL 37 N -3.81 0.23 -0.17 7.11 1.01 -1.26 -0.62 120.40 122.88 2dkr s VAL 37 Ca 0.06 -0.03 -0.29 0.00 0.00 0.00 0.00 61.98 61.71 2dkr s VAL 37 Cb 0.07 -0.26 -0.01 0.00 0.00 0.00 0.00 36.38 36.19 2dkr s VAL 37 CO -0.10 0.11 1.17 -0.63 0.00 0.00 0.00 175.10 175.65 2dkr s ILE 38 N 0.48 4.44 -2.00 2.22 -1.09 0.83 -4.89 121.20 121.19 2dkr s ILE 38 Ca -0.05 1.74 0.11 0.00 -2.23 0.00 0.00 60.65 60.22 2dkr s ILE 38 Cb -0.08 -4.12 0.31 0.00 -1.58 0.00 0.00 42.46 36.99 2dkr s ILE 38 CO -0.01 -0.12 1.08 -0.81 -1.23 0.00 0.00 174.94 173.84 2dkr n PRO 39 N 6.23 0.49 -2.70 2.79 -0.04 -1.26 -3.12 135.00 137.38 2dkr n PRO 39 Ca 0.13 0.00 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 2dkr n PRO 39 Cb 0.46 -1.34 0.06 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 -0.02 1.56 1.61 0.55 0.00 -1.26 -4.95 105.19 102.68 2dkr n GLY 40 Ca 0.08 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 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 -0.42 3.76 0.14 -0.02 0.00 -1.18 -5.03 105.19 102.44 2dkr n GLY 41 Ca 0.03 -2.09 -0.10 0.00 0.00 0.00 0.00 46.02 43.86 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 1.26 1.16 0.18 1.61 2.07 0.12 -1.90 116.25 120.75 2dkr h VAL 42 Ca -0.16 -0.48 -0.00 0.00 0.82 0.00 0.00 66.70 66.88 2dkr h VAL 42 Cb 0.58 1.02 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 2dkr h VAL 42 CO 0.26 0.16 -0.27 0.00 0.02 0.00 0.00 177.57 177.74 2dkr h ALA 43 N 0.96 -0.89 -0.88 1.67 0.00 -0.84 0.10 119.26 119.38 2dkr h ALA 43 Ca 0.08 -0.08 0.20 0.00 0.00 0.00 0.00 54.91 55.11 2dkr h ALA 43 Cb 0.15 0.58 -0.12 0.00 0.00 0.00 0.00 17.79 18.40 2dkr h ALA 43 CO -0.01 -0.93 0.40 0.22 0.00 0.00 0.00 179.25 178.93 2dkr h ASP 44 N -0.47 0.38 -0.70 0.00 1.82 -1.74 0.11 116.42 115.81 2dkr h ASP 44 Ca -0.02 0.14 -0.00 0.00 -0.39 0.00 0.00 57.03 56.76 2dkr h ASP 44 Cb 0.43 0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.51 2dkr h ASP 44 CO -0.08 0.06 0.44 0.03 -1.61 0.00 0.00 179.24 178.08 2dkr h ARG 45 N 0.46 0.94 0.31 0.28 2.47 -0.86 -2.98 114.38 115.00 2dkr h ARG 45 Ca 0.53 -0.08 -0.01 0.00 -1.26 0.00 0.00 59.98 59.16 2dkr h ARG 45 Cb 0.94 -0.20 0.00 0.00 -1.65 0.00 0.00 29.97 29.06 2dkr h ARG 45 CO -0.48 0.65 -0.16 1.25 0.56 0.00 0.00 179.97 181.79 2dkr h HIS 46 N 0.95 -0.42 -1.22 3.04 2.76 0.18 -3.49 115.15 116.96 2dkr h HIS 46 Ca 0.25 -0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.42 2dkr h HIS 46 Cb -0.06 0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.04 2dkr h HIS 46 CO -0.02 -0.26 0.00 0.41 -1.30 0.00 0.00 177.93 176.77 2dkr n GLY 47 N -1.28 -0.23 0.00 5.26 0.00 -0.73 -5.04 105.19 103.17 2dkr n GLY 47 Ca -0.10 -0.46 0.00 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.15 -0.10 3.66 -0.02 0.00 -1.26 -5.12 105.19 102.21 2dkr n GLY 48 Ca 0.00 -0.00 -0.39 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 0.00 4.15 0.10 0.99 1.43 -1.26 -5.06 118.68 119.03 2dkr s LEU 49 Ca 0.00 0.75 0.01 0.00 -1.03 0.00 0.00 54.13 53.85 2dkr s LEU 49 Cb 0.00 -2.78 -0.04 0.00 0.03 0.00 0.00 46.19 43.40 2dkr s LEU 49 CO 0.00 -0.21 -0.04 -0.54 0.23 0.00 0.00 176.35 175.79 2dkr s LYS 50 N 1.70 0.82 0.25 1.70 -0.14 -1.26 -4.70 119.74 118.11 2dkr s LYS 50 Ca 0.26 -1.34 -0.31 0.00 -1.36 0.00 0.00 55.97 53.22 2dkr s LYS 50 Cb -0.16 -0.09 -0.13 0.00 -1.68 0.00 0.00 37.83 35.77 2dkr s LYS 50 CO 0.10 -0.07 1.44 -2.13 -0.76 0.00 0.00 175.35 173.94 2dkr n ARG 51 N -0.04 2.15 0.00 1.68 0.63 -1.26 -2.39 116.66 117.43 2dkr n ARG 51 Ca -0.11 0.77 0.00 0.00 -0.92 0.00 0.00 57.85 57.58 2dkr n ARG 51 Cb 0.61 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.08 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 2.20 2.57 3.61 5.14 0.00 0.96 -4.94 105.19 114.74 2dkr n GLY 52 Ca 0.11 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 45.09 2dkr n GLY 52 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2dkr n ASP 53 N 0.32 1.44 -4.69 1.61 2.03 -1.01 -4.46 116.55 111.78 2dkr n ASP 53 Ca 0.00 1.09 -0.35 0.00 0.52 0.00 0.00 54.79 56.05 2dkr n ASP 53 Cb 0.00 -1.35 -0.09 0.00 -0.72 0.00 0.00 41.12 38.96 2dkr n ASP 53 CO 0.00 0.00 0.00 -1.58 -1.92 0.00 0.00 177.20 173.70 2dkr s GLN 54 N -1.87 3.92 -0.28 -0.67 -0.44 -1.26 -0.04 119.66 119.02 2dkr s GLN 54 Ca 0.61 -0.29 -0.29 0.00 -2.50 0.00 0.00 55.36 52.89 2dkr s GLN 54 Cb -0.60 -3.24 0.00 0.00 -1.64 0.00 0.00 33.01 27.54 2dkr s GLN 54 CO 0.58 0.36 1.25 -1.17 0.50 0.00 0.00 175.29 176.82 2dkr s LEU 55 N 0.13 3.94 -0.14 3.68 2.96 0.13 -3.87 118.68 125.52 2dkr s LEU 55 Ca 0.06 1.26 -0.16 0.00 -0.22 0.00 0.00 54.13 55.07 2dkr s LEU 55 Cb -0.12 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.78 2dkr s LEU 55 CO 0.00 -0.99 0.44 -0.07 -1.32 0.00 0.00 176.35 174.41 2dkr h LEU 56 N 10.53 0.27 -7.00 -0.68 3.38 -1.58 -3.39 115.31 116.85 2dkr h LEU 56 Ca -0.25 -0.79 0.09 0.00 0.09 0.00 0.00 57.88 57.02 2dkr h LEU 56 Cb 1.09 -0.09 -0.18 0.00 0.09 0.00 0.00 40.66 41.57 2dkr h LEU 56 CO 1.02 1.61 0.50 -0.94 0.09 0.00 0.00 178.44 180.72 2dkr s SER 57 N -6.96 -0.38 -0.01 -0.43 1.04 -1.19 -2.73 113.70 103.05 2dkr s SER 57 Ca -0.23 0.18 0.03 0.00 0.48 0.00 0.00 55.95 56.42 2dkr s SER 57 Cb 0.05 0.36 -0.01 0.00 0.10 0.00 0.00 66.02 66.53 2dkr s SER 57 CO 0.72 -0.52 -0.11 -0.69 0.98 0.00 0.00 173.24 173.62 2dkr s VAL 58 N -2.30 0.88 -1.38 5.02 1.01 -0.45 -0.98 120.40 122.20 2dkr s VAL 58 Ca 0.02 -0.47 -0.05 0.00 0.00 0.00 0.00 61.98 61.48 2dkr s VAL 58 Cb -0.01 -0.74 0.03 0.00 0.00 0.00 0.00 36.38 35.66 2dkr s VAL 58 CO -0.04 0.25 0.38 0.59 0.00 0.00 0.00 175.10 176.28 2dkr n ASN 59 N 2.89 -4.80 -1.31 3.32 3.02 0.32 -0.66 115.26 118.03 2dkr n ASN 59 Ca -0.14 -0.19 -0.11 0.00 -0.03 0.00 0.00 54.58 54.10 2dkr n ASN 59 Cb 0.56 -3.96 -0.00 0.00 -0.61 0.00 0.00 39.78 35.77 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 -1.20 -0.07 2.99 7.41 0.00 -1.26 -4.95 105.19 108.11 2dkr n GLY 60 Ca -0.10 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.59 1.06 0.10 1.61 1.01 0.16 -5.11 120.40 116.65 2dkr s VAL 61 Ca 0.02 -0.41 -0.31 0.00 0.00 0.00 0.00 61.98 61.28 2dkr s VAL 61 Cb -0.01 -1.00 -0.10 0.00 0.00 0.00 0.00 36.38 35.28 2dkr s VAL 61 CO 0.02 0.35 1.77 -0.55 0.00 0.00 0.00 175.10 176.70 2dkr s SER 62 N 0.89 6.48 -0.08 3.32 0.15 -1.26 -1.35 113.70 121.86 2dkr s SER 62 Ca -0.10 2.66 0.07 0.00 0.70 0.00 0.00 55.95 59.28 2dkr s SER 62 Cb -0.15 -2.56 -0.10 0.00 -1.71 0.00 0.00 66.02 61.50 2dkr s SER 62 CO 0.01 -0.97 0.02 1.33 1.20 0.00 0.00 173.24 174.84 2dkr n VAL 63 N 4.76 0.55 -0.31 4.45 0.24 -1.10 -4.62 118.33 122.30 2dkr n VAL 63 Ca 0.17 -0.34 0.23 0.00 -2.04 0.00 0.00 64.34 62.37 2dkr n VAL 63 Cb 0.39 -0.79 0.43 0.00 -1.47 0.00 0.00 33.84 32.40 2dkr n VAL 63 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2dkr n GLU 64 N -2.31 -0.06 -1.75 7.34 1.02 -1.18 0.11 120.64 123.81 2dkr n GLU 64 Ca -0.13 1.35 -0.32 0.00 -0.02 0.00 0.00 57.16 58.04 2dkr n GLU 64 Cb 0.76 -2.29 0.05 0.00 -0.02 0.00 0.00 31.44 29.93 2dkr n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dkr n GLY 65 N -1.35 6.00 3.45 0.62 0.00 -1.26 -4.94 105.19 107.71 2dkr n GLY 65 Ca 0.30 -2.49 -0.22 0.00 0.00 0.00 0.00 46.02 43.61 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 -3.77 1.68 0.09 1.61 8.01 0.30 -5.13 118.70 121.50 2dkr s GLU 66 Ca 0.57 -1.95 -0.20 0.00 0.01 0.00 0.00 54.97 53.39 2dkr s GLU 66 Cb 0.46 -0.76 -0.07 0.00 -4.31 0.00 0.00 34.13 29.45 2dkr s GLU 66 CO -0.07 -0.26 0.61 -1.14 0.01 0.00 0.00 175.26 174.41 2dkr s GLN 67 N -3.87 4.27 0.17 1.61 0.74 -1.26 -4.01 119.66 117.30 2dkr s GLN 67 Ca 0.34 0.82 -0.19 0.00 0.05 0.00 0.00 55.36 56.38 2dkr s GLN 67 Cb 0.07 -3.24 0.10 0.00 1.10 0.00 0.00 33.01 31.04 2dkr s GLN 67 CO 0.15 0.63 1.26 1.58 -0.55 0.00 0.00 175.29 178.36 2dkr n HIS 68 N 1.70 -0.13 -0.37 1.67 -0.00 -1.26 0.57 115.22 117.41 2dkr n HIS 68 Ca -0.09 1.01 0.03 0.00 -0.00 0.00 0.00 57.72 58.67 2dkr n HIS 68 Cb 0.50 -0.71 0.10 0.00 -0.00 0.00 0.00 29.99 29.89 2dkr n HIS 68 CO 0.00 0.00 0.00 -1.91 -0.00 0.00 0.00 176.34 174.43 2dkr n GLU 69 N -5.13 -0.14 0.00 1.57 4.07 -1.26 -0.86 120.64 118.89 2dkr n GLU 69 Ca 0.06 1.55 -0.13 0.00 -0.06 0.00 0.00 57.16 58.57 2dkr n GLU 69 Cb 0.28 -2.31 -0.09 0.00 -0.06 0.00 0.00 31.44 29.27 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 -0.50 -0.91 5.31 3.64 -0.26 -0.63 116.57 123.23 2dkr h LYS 70 Ca 0.43 0.03 0.08 0.00 -1.27 0.00 0.00 60.65 59.93 2dkr h LYS 70 Cb 0.68 0.11 -0.11 0.00 -0.41 0.00 0.00 32.23 32.50 2dkr h LYS 70 CO -1.01 -0.33 -0.54 0.00 -2.27 0.00 0.00 179.45 175.30 2dkr n ALA 71 N -2.94 -0.58 -0.36 5.00 0.00 -0.03 0.73 120.51 122.33 2dkr n ALA 71 Ca -0.05 0.77 0.08 0.00 0.00 0.00 0.00 53.44 54.24 2dkr n ALA 71 Cb 0.33 -0.11 0.25 0.00 0.00 0.00 0.00 19.45 19.93 2dkr n ALA 71 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 2dkr h VAL 72 N 0.00 0.88 -0.48 0.00 2.07 -1.19 -1.32 116.25 116.20 2dkr h VAL 72 Ca 0.15 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.33 2dkr h VAL 72 Cb 0.37 -0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 29.97 2dkr h VAL 72 CO -0.85 0.17 0.25 -0.33 0.02 0.00 0.00 177.57 176.83 2dkr h GLU 73 N 0.94 0.68 0.07 1.57 4.39 0.19 -3.06 114.58 119.36 2dkr h GLU 73 Ca 0.51 -0.09 0.02 0.00 0.34 0.00 0.00 59.36 60.15 2dkr h GLU 73 Cb 0.57 -0.13 -0.05 0.00 -0.10 0.00 0.00 28.75 29.04 2dkr h GLU 73 CO -0.29 0.54 -0.37 -0.07 -1.16 0.00 0.00 179.01 177.66 2dkr h LEU 74 N 0.63 -1.09 -0.90 1.33 3.38 0.43 0.25 115.31 119.34 2dkr h LEU 74 Ca 0.17 0.13 0.25 0.00 0.09 0.00 0.00 57.88 58.52 2dkr h LEU 74 Cb 0.07 0.42 -0.15 0.00 0.09 0.00 0.00 40.66 41.10 2dkr h LEU 74 CO -0.03 -0.44 0.24 -0.07 0.09 0.00 0.00 178.44 178.23 2dkr h LEU 75 N -0.57 -0.02 -0.14 1.67 3.38 -1.41 0.14 115.31 118.35 2dkr h LEU 75 Ca 0.04 0.21 -0.10 0.00 0.09 0.00 0.00 57.88 58.12 2dkr h LEU 75 Cb 0.62 0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2dkr h LEU 75 CO -0.25 -0.19 -0.30 0.11 0.09 0.00 0.00 178.44 177.90 2dkr h LYS 76 N 0.18 0.46 -0.98 1.13 1.57 -1.23 -3.20 116.57 114.50 2dkr h LYS 76 Ca 0.58 -0.30 0.33 0.00 -1.87 0.00 0.00 60.65 59.39 2dkr h LYS 76 Cb 1.20 0.04 -0.17 0.00 0.08 0.00 0.00 32.23 33.38 2dkr h LYS 76 CO -0.69 0.91 0.39 0.00 -0.57 0.00 0.00 179.45 179.49 2dkr h ALA 77 N 0.55 1.76 -2.71 3.86 0.00 0.23 -3.40 119.26 119.55 2dkr h ALA 77 Ca 0.00 0.26 -0.56 0.00 0.00 0.00 0.00 54.91 54.61 2dkr h ALA 77 Cb 0.90 0.34 0.11 0.00 0.00 0.00 0.00 17.79 19.13 2dkr h ALA 77 CO 0.07 -0.70 0.65 0.00 0.00 0.00 0.00 179.25 179.27 2dkr n ALA 78 N -2.52 1.83 -0.06 0.00 0.00 -0.96 -4.93 120.51 113.87 2dkr n ALA 78 Ca 0.31 0.36 -0.07 0.00 0.00 0.00 0.00 53.44 54.03 2dkr n ALA 78 Cb 1.00 -2.34 -0.07 0.00 0.00 0.00 0.00 19.45 18.04 2dkr n ALA 78 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dkr n GLN 79 N 0.66 1.23 -0.08 0.00 -0.00 -1.26 -4.86 117.38 113.08 2dkr n GLN 79 Ca 0.04 0.04 -0.13 0.00 -0.00 0.00 0.00 57.00 56.94 2dkr n GLN 79 Cb 0.37 -1.27 -0.04 0.00 -0.00 0.00 0.00 30.24 29.30 2dkr n GLN 79 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2dkr n GLY 80 N 2.63 -0.38 3.29 2.61 0.00 -1.26 -4.89 105.19 107.19 2dkr n GLY 80 Ca -0.21 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.54 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 -6.33 -0.01 -0.05 1.61 1.04 -1.26 -2.94 113.70 105.75 2dkr s SER 81 Ca -0.25 -0.61 0.06 0.00 0.48 0.00 0.00 55.95 55.63 2dkr s SER 81 Cb 0.06 0.41 -0.01 0.00 0.10 0.00 0.00 66.02 66.58 2dkr s SER 81 CO 0.34 -0.82 -0.24 0.68 0.98 0.00 0.00 173.24 174.17 2dkr s VAL 82 N -3.87 2.16 -0.47 5.02 -7.23 -0.86 -4.81 120.40 110.34 2dkr s VAL 82 Ca 0.08 -1.04 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 2dkr s VAL 82 Cb 0.03 -1.78 0.10 0.00 0.56 0.00 0.00 36.38 35.30 2dkr s VAL 82 CO -0.08 0.57 0.36 -0.54 -0.31 0.00 0.00 175.10 175.10 2dkr s LYS 83 N -0.29 2.68 -0.42 4.82 1.02 -1.26 -2.33 119.74 123.95 2dkr s LYS 83 Ca 0.00 -1.61 -0.16 0.00 0.02 0.00 0.00 55.97 54.22 2dkr s LYS 83 Cb -0.13 -3.98 0.02 0.00 -0.52 0.00 0.00 37.83 33.22 2dkr s LYS 83 CO 0.02 -1.13 0.35 -0.51 -0.92 0.00 0.00 175.35 173.16 2dkr s LEU 84 N 1.46 5.09 -0.36 3.17 1.43 -0.23 -0.52 118.68 128.72 2dkr s LEU 84 Ca 0.04 -0.88 -0.22 0.00 -1.03 0.00 0.00 54.13 52.05 2dkr s LEU 84 Cb -0.26 -2.22 0.01 0.00 0.03 0.00 0.00 46.19 43.75 2dkr s LEU 84 CO 0.02 -0.50 0.72 -0.69 0.23 0.00 0.00 176.35 176.12 2dkr s VAL 85 N 1.80 4.80 0.36 -1.59 1.01 -0.15 -0.17 120.40 126.47 2dkr s VAL 85 Ca 0.07 0.74 0.08 0.00 0.00 0.00 0.00 61.98 62.87 2dkr s VAL 85 Cb -0.19 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.99 2dkr s VAL 85 CO 0.11 -0.38 0.15 0.68 0.00 0.00 0.00 175.10 175.65 2dkr s VAL 86 N 2.92 2.75 -0.23 2.92 -7.23 -1.12 -1.49 120.40 118.92 2dkr s VAL 86 Ca 0.28 -1.71 -0.12 0.00 -1.81 0.00 0.00 61.98 58.62 2dkr s VAL 86 Cb -0.14 -2.96 -0.05 0.00 0.56 0.00 0.00 36.38 33.79 2dkr s VAL 86 CO 0.16 -0.12 0.25 -0.60 -0.31 0.00 0.00 175.10 174.48 2dkr s ARG 87 N -3.86 4.09 0.13 4.82 3.52 -1.25 -3.85 118.95 122.54 2dkr s ARG 87 Ca 0.39 -0.11 0.06 0.00 -0.13 0.00 0.00 55.73 55.94 2dkr s ARG 87 Cb -0.00 -3.56 -0.04 0.00 -1.56 0.00 0.00 34.95 29.79 2dkr s ARG 87 CO 0.23 -0.01 -0.14 0.45 -0.81 0.00 0.00 175.30 175.01 2dkr s SER 88 N 1.15 2.10 0.00 -2.12 0.15 -1.26 -4.82 113.70 108.90 2dkr s SER 88 Ca 0.11 -0.83 0.00 0.00 0.70 0.00 0.00 55.95 55.93 2dkr s SER 88 Cb -0.14 -0.08 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dkr s SER 88 CO 0.06 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 174.98 2dkr n GLY 89 N 0.44 1.01 3.62 9.45 0.00 -1.26 -4.96 105.19 113.49 2dkr n GLY 89 Ca -0.15 -0.90 -0.43 0.00 0.00 0.00 0.00 46.02 44.55 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 0.00 3.62 0.32 1.61 0.04 -1.26 -5.00 135.00 134.33 2dkr s PRO 90 Ca 0.00 1.49 0.09 0.00 0.04 0.00 0.00 61.00 62.63 2dkr s PRO 90 Cb 0.00 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.40 2dkr s PRO 90 CO 0.00 -1.51 -0.01 -1.12 0.04 0.00 0.00 177.00 174.40 2dkr s SER 91 N 4.81 4.19 0.58 6.66 0.01 -1.26 -5.11 113.70 123.58 2dkr s SER 91 Ca 0.73 -0.93 -0.20 0.00 1.31 0.00 0.00 55.95 56.86 2dkr s SER 91 Cb -0.23 -0.57 -0.03 0.00 0.21 0.00 0.00 66.02 65.40 2dkr s SER 91 CO 0.31 -0.17 1.31 -0.94 0.41 0.00 0.00 173.24 174.16 2dkr s SER 92 N -3.69 5.06 0.00 2.44 1.04 -1.26 -5.26 113.70 112.03 2dkr s SER 92 Ca 0.34 2.66 0.00 0.00 0.48 0.00 0.00 55.95 59.42 2dkr s SER 92 Cb -0.02 -2.62 0.00 0.00 0.10 0.00 0.00 66.02 63.48 2dkr s SER 92 CO 0.19 -1.70 0.00 0.61 0.98 0.00 0.00 173.24 173.32