#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 5.89 0.23 1.61 0.01 -1.26 -5.13 113.70 115.05 2dkr s SER 2 Ca 0.00 -0.14 0.10 0.00 1.31 0.00 0.00 55.95 57.22 2dkr s SER 2 Cb 0.00 -1.51 -0.04 0.00 0.21 0.00 0.00 66.02 64.68 2dkr s SER 2 CO 0.00 -0.15 -0.09 -0.44 0.41 0.00 0.00 173.24 172.97 2dkr s SER 3 N -3.97 4.19 -0.49 2.44 0.01 -1.26 -5.02 113.70 109.60 2dkr s SER 3 Ca 0.36 -0.71 -0.06 0.00 1.31 0.00 0.00 55.95 56.85 2dkr s SER 3 Cb -0.08 -0.66 -0.17 0.00 0.21 0.00 0.00 66.02 65.32 2dkr s SER 3 CO 0.28 0.05 2.92 0.61 0.41 0.00 0.00 173.24 177.51 2dkr n GLY 4 N -0.44 3.07 3.74 3.44 0.00 -1.26 -4.92 105.19 108.82 2dkr n GLY 4 Ca -0.08 -1.09 -0.30 0.00 0.00 0.00 0.00 46.02 44.55 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 2.35 3.74 0.30 1.61 0.01 -1.26 -4.95 113.70 115.49 2dkr s SER 5 Ca 0.56 1.50 -0.30 0.00 1.31 0.00 0.00 55.95 59.03 2dkr s SER 5 Cb 0.22 -2.19 -0.11 0.00 0.21 0.00 0.00 66.02 64.15 2dkr s SER 5 CO -0.02 -2.47 1.58 -0.94 0.41 0.00 0.00 173.24 171.80 2dkr s SER 6 N -3.48 6.38 -1.00 2.44 1.04 -1.26 -4.86 113.70 112.97 2dkr s SER 6 Ca 0.63 2.94 -0.24 0.00 0.48 0.00 0.00 55.95 59.76 2dkr s SER 6 Cb -0.17 -2.64 -0.06 0.00 0.10 0.00 0.00 66.02 63.25 2dkr s SER 6 CO 0.56 -0.90 1.95 -0.83 0.98 0.00 0.00 173.24 175.00 2dkr s GLY 7 N 0.45 0.17 -0.19 7.32 0.00 -1.25 -4.91 107.32 108.91 2dkr s GLY 7 Ca 0.62 -1.72 -0.29 0.00 0.00 0.00 0.00 44.72 43.34 2dkr s GLY 7 CO 0.49 3.52 1.00 0.14 0.00 0.00 0.00 173.10 178.25 2dkr s VAL 8 N 10.43 4.73 -0.53 1.40 1.01 -1.26 -3.66 120.40 132.53 2dkr s VAL 8 Ca 0.70 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 64.49 2dkr s VAL 8 Cb -0.05 -4.29 0.09 0.00 0.00 0.00 0.00 36.38 32.14 2dkr s VAL 8 CO 0.04 -0.11 0.54 -0.69 0.00 0.00 0.00 175.10 174.88 2dkr s VAL 9 N 2.76 5.06 -0.51 2.92 1.01 0.14 -4.88 120.40 126.90 2dkr s VAL 9 Ca 0.44 -1.06 -0.28 0.00 0.00 0.00 0.00 61.98 61.08 2dkr s VAL 9 Cb -0.16 -4.30 0.03 0.00 0.00 0.00 0.00 36.38 31.95 2dkr s VAL 9 CO 0.10 -0.83 1.10 -0.70 0.00 0.00 0.00 175.10 174.77 2dkr s GLU 10 N 2.06 3.60 0.04 2.72 -6.30 -1.26 -2.28 118.70 117.28 2dkr s GLU 10 Ca 0.08 0.34 0.04 0.00 -2.50 0.00 0.00 54.97 52.93 2dkr s GLU 10 Cb -0.25 -3.95 -0.04 0.00 0.00 0.00 0.00 34.13 29.89 2dkr s GLU 10 CO 0.07 -1.45 -0.06 -0.51 0.02 0.00 0.00 175.26 173.33 2dkr s LEU 11 N 4.44 3.22 -0.09 2.70 1.43 -0.88 -4.94 118.68 124.55 2dkr s LEU 11 Ca 0.43 -0.19 -0.30 0.00 -1.03 0.00 0.00 54.13 53.05 2dkr s LEU 11 Cb -0.08 -1.90 -0.04 0.00 0.03 0.00 0.00 46.19 44.20 2dkr s LEU 11 CO 0.28 0.24 1.52 -2.16 0.23 0.00 0.00 176.35 176.47 2dkr s PRO 12 N -1.73 4.20 -0.52 1.29 0.04 -1.26 -1.77 135.00 135.25 2dkr s PRO 12 Ca 0.20 2.01 -0.27 0.00 0.04 0.00 0.00 61.00 62.98 2dkr s PRO 12 Cb -0.11 -3.90 0.03 0.00 0.04 0.00 0.00 34.50 30.55 2dkr s PRO 12 CO 0.11 -0.80 1.05 0.21 0.04 0.00 0.00 177.00 177.61 2dkr s LYS 13 N 3.82 3.52 0.00 4.56 2.47 -1.06 -4.87 119.74 128.19 2dkr s LYS 13 Ca 0.67 0.18 -0.28 0.00 -1.56 0.00 0.00 55.97 54.98 2dkr s LYS 13 Cb -0.30 -3.97 0.09 0.00 -1.46 0.00 0.00 37.83 32.19 2dkr s LYS 13 CO 0.25 -1.44 0.79 -0.08 0.16 0.00 0.00 175.35 175.02 2dkr s THR 14 N 4.28 0.00 0.54 3.43 -1.32 -1.26 -4.12 115.64 117.19 2dkr s THR 14 Ca 0.40 0.00 0.27 0.00 -1.21 0.00 0.00 61.69 61.15 2dkr s THR 14 Cb -0.09 -1.00 0.42 0.00 -1.51 0.00 0.00 72.50 70.31 2dkr s THR 14 CO 0.26 0.00 1.96 -0.78 -2.21 0.00 0.00 174.62 173.85 2dkr h ASP 15 N 2.28 0.00 -0.91 8.08 1.82 -2.04 -2.17 116.42 123.48 2dkr h ASP 15 Ca -0.26 0.00 0.33 0.00 -0.39 0.00 0.00 57.03 56.72 2dkr h ASP 15 Cb 1.23 0.00 -0.16 0.00 0.68 0.00 0.00 39.33 41.07 2dkr h ASP 15 CO 0.34 0.00 0.32 1.21 -1.61 0.00 0.00 179.24 179.51 2dkr n GLU 16 N -4.26 -0.06 0.00 0.28 2.13 -1.26 -4.86 120.64 112.61 2dkr n GLU 16 Ca 0.12 1.29 0.00 0.00 0.66 0.00 0.00 57.16 59.22 2dkr n GLU 16 Cb 0.69 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 30.19 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 -1.31 3.36 0.13 8.31 0.00 -0.82 -5.01 105.19 109.85 2dkr n GLY 17 Ca 0.30 -1.75 -0.27 0.00 0.00 0.00 0.00 46.02 44.30 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 2.11 0.00 0.99 4.77 -1.26 -4.45 117.00 119.16 2dkr n LEU 18 Ca 0.00 0.28 0.00 0.00 -0.03 0.00 0.00 56.01 56.26 2dkr n LEU 18 Cb 0.00 -0.87 0.00 0.00 -2.33 0.00 0.00 43.42 40.22 2dkr n LEU 18 CO 0.00 0.59 0.00 0.61 -1.33 0.00 0.00 177.39 177.26 2dkr n GLY 19 N 1.45 1.93 3.16 -0.72 0.00 -1.26 0.65 105.19 110.40 2dkr n GLY 19 Ca -0.49 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.11 0.01 1.61 -0.12 -1.26 0.74 117.98 116.85 2dkr s PHE 20 Ca 0.00 0.20 0.01 0.00 -0.05 0.00 0.00 56.93 57.09 2dkr s PHE 20 Cb 0.00 0.04 -0.01 0.00 -0.63 0.00 0.00 43.02 42.42 2dkr s PHE 20 CO 0.00 -0.29 -0.05 -0.80 -0.05 0.00 0.00 175.22 174.03 2dkr s ASN 21 N -1.02 0.57 0.24 1.98 0.01 0.10 -4.96 114.94 111.86 2dkr s ASN 21 Ca -0.11 -0.25 0.09 0.00 -0.71 0.00 0.00 52.86 51.88 2dkr s ASN 21 Cb -0.05 -0.01 -0.04 0.00 0.41 0.00 0.00 41.25 41.55 2dkr s ASN 21 CO 0.02 -0.06 -0.04 0.27 -1.51 0.00 0.00 177.10 175.79 2dkr s ILE 22 N -0.60 3.35 0.35 0.60 -4.36 -1.26 0.14 121.20 119.41 2dkr s ILE 22 Ca -0.04 -1.86 0.04 0.00 -0.26 0.00 0.00 60.65 58.53 2dkr s ILE 22 Cb -0.05 -2.76 -0.03 0.00 1.25 0.00 0.00 42.46 40.87 2dkr s ILE 22 CO -0.00 -0.31 0.16 0.00 0.24 0.00 0.00 174.94 175.03 2dkr s MET 23 N -3.44 1.74 4.56 0.37 0.23 -1.24 -4.71 119.30 116.79 2dkr s MET 23 Ca 0.30 -2.02 0.00 0.00 -1.03 0.00 0.00 55.69 52.94 2dkr s MET 23 Cb -0.07 -0.27 0.00 0.00 -1.53 0.00 0.00 34.83 32.96 2dkr s MET 23 CO 0.19 -0.47 0.00 0.41 -2.03 0.00 0.00 175.02 173.12 2dkr n GLY 24 N -0.71 1.14 0.00 3.16 0.00 -1.26 -4.58 105.19 102.93 2dkr n GLY 24 Ca -0.01 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.25 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 0.00 0.35 0.12 -0.02 0.00 -1.26 -4.85 105.19 99.52 2dkr n GLY 25 Ca 0.00 -1.48 -0.21 0.00 0.00 0.00 0.00 46.02 44.33 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 0.17 -0.73 1.61 3.64 -1.90 -3.37 116.57 115.99 2dkr h LYS 26 Ca 0.00 -0.29 0.27 0.00 -1.27 0.00 0.00 60.65 59.37 2dkr h LYS 26 Cb 0.00 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 31.79 2dkr h LYS 26 CO 0.00 1.14 0.27 -1.91 -2.27 0.00 0.00 179.45 176.68 2dkr n GLU 27 N -4.06 -0.05 -3.98 1.90 4.07 -1.26 -3.72 120.64 113.53 2dkr n GLU 27 Ca -0.26 1.03 -0.28 0.00 -0.06 0.00 0.00 57.16 57.59 2dkr n GLU 27 Cb 0.83 -1.78 -0.17 0.00 -0.06 0.00 0.00 31.44 30.26 2dkr n GLU 27 CO 0.00 0.00 0.00 -1.14 -0.06 0.00 0.00 177.13 175.93 2dkr s GLN 28 N -5.28 1.92 -0.58 5.31 0.74 -1.26 -5.07 119.66 115.44 2dkr s GLN 28 Ca -0.07 -0.41 -0.30 0.00 0.05 0.00 0.00 55.36 54.63 2dkr s GLN 28 Cb 0.24 -1.84 -0.12 0.00 1.10 0.00 0.00 33.01 32.38 2dkr s GLN 28 CO 0.57 -0.24 2.43 0.09 -0.55 0.00 0.00 175.29 177.58 2dkr n ASN 29 N 4.83 1.75 -3.53 6.67 3.02 -1.24 -4.37 115.26 122.38 2dkr n ASN 29 Ca -0.15 -0.05 -0.13 0.00 -0.03 0.00 0.00 54.58 54.22 2dkr n ASN 29 Cb 0.50 -1.32 -0.05 0.00 -0.61 0.00 0.00 39.78 38.31 2dkr n ASN 29 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 2dkr s SER 30 N 9.89 -0.49 0.24 6.41 1.04 -1.26 -5.09 113.70 124.43 2dkr s SER 30 Ca 1.12 0.44 -0.30 0.00 0.48 0.00 0.00 55.95 57.69 2dkr s SER 30 Cb -0.66 0.42 -0.09 0.00 0.10 0.00 0.00 66.02 65.79 2dkr s SER 30 CO 0.39 -0.52 1.28 -2.16 0.98 0.00 0.00 173.24 173.20 2dkr s PRO 31 N -1.59 4.42 -0.54 4.02 0.04 -1.26 -4.62 135.00 135.48 2dkr s PRO 31 Ca -0.04 2.05 -0.28 0.00 0.04 0.00 0.00 61.00 62.76 2dkr s PRO 31 Cb -0.00 -3.17 0.01 0.00 0.04 0.00 0.00 34.50 31.38 2dkr s PRO 31 CO 0.02 -0.17 1.39 0.42 0.04 0.00 0.00 177.00 178.71 2dkr s ILE 32 N -0.33 3.83 0.44 0.56 1.01 -1.26 -4.89 121.20 120.56 2dkr s ILE 32 Ca 0.53 0.74 0.03 0.00 0.00 0.00 0.00 60.65 61.95 2dkr s ILE 32 Cb -0.36 -4.42 -0.02 0.00 0.01 0.00 0.00 42.46 37.66 2dkr s ILE 32 CO 0.42 -1.11 0.09 -0.72 0.00 0.00 0.00 174.94 173.62 2dkr s TYR 33 N 5.86 1.82 -0.29 3.97 -0.85 -1.26 0.18 117.35 126.78 2dkr s TYR 33 Ca 0.53 -1.18 -0.27 0.00 -0.52 0.00 0.00 57.07 55.63 2dkr s TYR 33 Cb -0.11 -1.30 0.01 0.00 0.38 0.00 0.00 41.96 40.94 2dkr s TYR 33 CO 0.26 -0.13 0.98 0.42 -1.52 0.00 0.00 175.55 175.57 2dkr s ILE 34 N -3.10 4.64 -0.09 -3.49 -1.09 -1.06 -3.73 121.20 113.28 2dkr s ILE 34 Ca 0.19 1.67 -0.20 0.00 -2.23 0.00 0.00 60.65 60.08 2dkr s ILE 34 Cb 0.02 -4.31 -0.16 0.00 -1.58 0.00 0.00 42.46 36.44 2dkr s ILE 34 CO 0.11 -0.33 0.68 0.77 -1.23 0.00 0.00 174.94 174.95 2dkr h SER 35 N 7.92 -0.08 -4.28 3.58 4.64 0.98 -2.54 113.55 123.76 2dkr h SER 35 Ca -0.21 -0.49 -0.33 0.00 -0.47 0.00 0.00 61.79 60.28 2dkr h SER 35 Cb 1.07 0.02 -0.17 0.00 -0.31 0.00 0.00 62.40 63.01 2dkr h SER 35 CO 0.97 0.60 -0.73 -0.13 -0.87 0.00 0.00 176.83 176.67 2dkr s ARG 36 N -2.70 0.90 -0.09 4.77 0.52 -0.69 -4.87 118.95 116.79 2dkr s ARG 36 Ca -0.12 -1.21 -0.02 0.00 -0.52 0.00 0.00 55.73 53.85 2dkr s ARG 36 Cb -0.01 -0.60 0.04 0.00 0.52 0.00 0.00 34.95 34.90 2dkr s ARG 36 CO 0.46 0.09 0.04 0.08 0.02 0.00 0.00 175.30 175.99 2dkr s VAL 37 N -2.53 0.11 -0.03 3.52 1.01 -1.26 0.02 120.40 121.24 2dkr s VAL 37 Ca 0.07 0.13 -0.30 0.00 0.00 0.00 0.00 61.98 61.89 2dkr s VAL 37 Cb -0.02 -0.43 -0.06 0.00 0.00 0.00 0.00 36.38 35.86 2dkr s VAL 37 CO 0.00 0.08 1.74 -0.63 0.00 0.00 0.00 175.10 176.30 2dkr s ILE 38 N 2.07 3.42 -1.86 2.22 -1.09 0.23 -4.85 121.20 121.33 2dkr s ILE 38 Ca 0.04 0.52 0.15 0.00 -2.23 0.00 0.00 60.65 59.13 2dkr s ILE 38 Cb -0.13 -3.33 0.40 0.00 -1.58 0.00 0.00 42.46 37.81 2dkr s ILE 38 CO -0.05 -0.04 1.36 -0.81 -1.23 0.00 0.00 174.94 174.16 2dkr n PRO 39 N 7.20 0.42 -2.71 2.79 -0.04 -1.26 -2.96 135.00 138.44 2dkr n PRO 39 Ca 0.18 0.04 -0.05 0.00 -0.04 0.00 0.00 63.50 63.62 2dkr n PRO 39 Cb 0.42 -1.50 0.04 0.00 -0.04 0.00 0.00 33.50 32.42 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 2.34 0.00 0.55 0.00 -1.26 -4.79 105.19 102.00 2dkr n GLY 40 Ca 0.11 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.80 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 -0.50 5.08 0.13 -0.02 0.00 -1.16 -5.01 105.19 103.71 2dkr n GLY 41 Ca 0.12 -1.74 -0.22 0.00 0.00 0.00 0.00 46.02 44.18 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 0.99 0.71 1.61 2.07 -0.00 -3.18 116.25 118.44 2dkr h VAL 42 Ca 0.00 -2.43 -0.03 0.00 0.82 0.00 0.00 66.70 65.06 2dkr h VAL 42 Cb 0.00 2.72 -0.01 0.00 -1.52 0.00 0.00 31.29 32.48 2dkr h VAL 42 CO 0.00 0.76 -0.45 0.00 0.02 0.00 0.00 177.57 177.90 2dkr h ALA 43 N 0.00 -1.14 0.35 1.67 0.00 -1.40 0.24 119.26 118.98 2dkr h ALA 43 Ca -0.32 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.36 2dkr h ALA 43 Cb 1.86 0.56 -0.03 0.00 0.00 0.00 0.00 17.79 20.18 2dkr h ALA 43 CO 0.09 -1.16 -0.45 0.22 0.00 0.00 0.00 179.25 177.95 2dkr h ASP 44 N -1.09 -1.27 -0.48 0.00 1.82 -1.76 -1.12 116.42 112.52 2dkr h ASP 44 Ca -0.09 0.12 0.10 0.00 -0.39 0.00 0.00 57.03 56.76 2dkr h ASP 44 Cb 0.88 0.44 -0.09 0.00 0.68 0.00 0.00 39.33 41.25 2dkr h ASP 44 CO 0.08 -0.58 -0.06 0.03 -1.61 0.00 0.00 179.24 177.11 2dkr h ARG 45 N -0.85 0.06 -0.11 0.28 3.08 -1.54 -2.14 114.38 113.16 2dkr h ARG 45 Ca -0.03 -0.00 0.05 0.00 0.07 0.00 0.00 59.98 60.06 2dkr h ARG 45 Cb 0.78 -0.01 -0.06 0.00 0.08 0.00 0.00 29.97 30.75 2dkr h ARG 45 CO -0.12 0.04 -0.30 1.25 -1.07 0.00 0.00 179.97 179.76 2dkr h HIS 46 N 0.06 -0.82 -1.06 3.04 2.76 -0.16 -3.48 115.15 115.48 2dkr h HIS 46 Ca 0.24 0.03 0.00 0.00 -2.20 0.00 0.00 60.37 58.44 2dkr h HIS 46 Cb 0.37 0.38 0.00 0.00 1.55 0.00 0.00 27.41 29.70 2dkr h HIS 46 CO -0.36 -0.38 0.00 0.41 -1.30 0.00 0.00 177.93 176.30 2dkr n GLY 47 N -1.40 -1.15 0.00 5.26 0.00 -0.45 -5.03 105.19 102.41 2dkr n GLY 47 Ca -0.03 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 0.01 1.07 3.68 -0.02 0.00 -1.26 -5.10 105.19 103.57 2dkr n GLY 48 Ca 0.00 -0.08 -0.37 0.00 0.00 0.00 0.00 46.02 45.57 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 4.16 0.11 0.99 1.43 -1.26 -5.07 118.68 119.03 2dkr s LEU 49 Ca 0.00 0.38 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2dkr s LEU 49 Cb 0.00 -2.35 -0.02 0.00 0.03 0.00 0.00 46.19 43.85 2dkr s LEU 49 CO 0.00 0.00 0.13 -1.59 0.23 0.00 0.00 176.35 175.12 2dkr s LYS 50 N 1.07 0.88 0.04 1.70 0.00 -1.26 -4.54 119.74 117.63 2dkr s LYS 50 Ca 0.15 -1.18 -0.35 0.00 0.00 0.00 0.00 55.97 54.58 2dkr s LYS 50 Cb -0.14 0.30 -0.14 0.00 0.00 0.00 0.00 37.83 37.84 2dkr s LYS 50 CO 0.06 -0.26 1.61 -2.13 0.00 0.00 0.00 175.35 174.63 2dkr n ARG 51 N -0.06 1.82 0.00 1.78 0.63 -1.26 -1.95 116.66 117.62 2dkr n ARG 51 Ca -0.11 0.66 0.00 0.00 -0.92 0.00 0.00 57.85 57.48 2dkr n ARG 51 Cb 0.62 -2.41 0.00 0.00 0.45 0.00 0.00 32.46 31.13 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 3.52 2.20 3.60 5.14 0.00 -0.96 -4.95 105.19 113.74 2dkr n GLY 52 Ca 0.20 -0.62 -0.51 0.00 0.00 0.00 0.00 46.02 45.08 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 0.14 2.70 -4.68 1.61 9.92 -0.82 -4.54 116.55 120.88 2dkr n ASP 53 Ca 0.00 0.76 -0.43 0.00 -0.53 0.00 0.00 54.79 54.60 2dkr n ASP 53 Cb 0.00 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.18 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 4.84 4.34 -0.15 -1.24 0.74 -1.26 -2.57 119.66 124.36 2dkr s GLN 54 Ca 1.01 1.47 -0.29 0.00 0.05 0.00 0.00 55.36 57.59 2dkr s GLN 54 Cb -0.83 -3.60 -0.04 0.00 1.10 0.00 0.00 33.01 29.64 2dkr s GLN 54 CO 0.54 -0.47 1.68 -1.17 -0.55 0.00 0.00 175.29 175.31 2dkr s LEU 55 N 2.54 4.05 -0.15 3.68 2.96 0.13 -3.70 118.68 128.19 2dkr s LEU 55 Ca 0.49 1.91 -0.11 0.00 -0.22 0.00 0.00 54.13 56.20 2dkr s LEU 55 Cb -0.19 -3.53 -0.07 0.00 0.50 0.00 0.00 46.19 42.90 2dkr s LEU 55 CO 0.15 -1.16 0.01 -0.07 -1.32 0.00 0.00 176.35 173.95 2dkr h LEU 56 N 11.30 0.00 -7.16 -0.68 3.38 -1.71 -3.41 115.31 117.03 2dkr h LEU 56 Ca -0.37 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.35 2dkr h LEU 56 Cb 1.17 0.00 -0.22 0.00 0.09 0.00 0.00 40.66 41.70 2dkr h LEU 56 CO 0.98 0.86 -0.05 -0.44 0.09 0.00 0.00 178.44 179.89 2dkr s SER 57 N -5.95 -0.58 -0.04 -0.43 0.01 -1.25 -2.67 113.70 102.79 2dkr s SER 57 Ca -0.15 1.06 0.05 0.00 1.31 0.00 0.00 55.95 58.23 2dkr s SER 57 Cb 0.02 1.07 -0.02 0.00 0.21 0.00 0.00 66.02 67.30 2dkr s SER 57 CO 0.28 -0.24 -0.19 -0.69 0.41 0.00 0.00 173.24 172.81 2dkr s VAL 58 N 0.12 2.67 -1.43 3.43 1.01 -0.64 -1.30 120.40 124.25 2dkr s VAL 58 Ca -0.01 -0.87 -0.11 0.00 0.00 0.00 0.00 61.98 60.99 2dkr s VAL 58 Cb -0.04 -2.01 0.07 0.00 0.00 0.00 0.00 36.38 34.41 2dkr s VAL 58 CO 0.02 0.58 0.68 0.59 0.00 0.00 0.00 175.10 176.97 2dkr n ASN 59 N 2.41 -4.42 -1.83 3.32 3.02 -0.80 -0.42 115.26 116.54 2dkr n ASN 59 Ca -0.17 -0.53 -0.14 0.00 -0.03 0.00 0.00 54.58 53.71 2dkr n ASN 59 Cb 0.52 -3.59 0.01 0.00 -0.61 0.00 0.00 39.78 36.11 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 -1.40 -0.16 2.97 7.41 0.00 -1.26 -5.01 105.19 107.75 2dkr n GLY 60 Ca -0.01 -0.24 -0.27 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.83 1.22 -0.09 1.61 1.01 0.44 -5.10 120.40 116.66 2dkr s VAL 61 Ca 0.10 -0.44 -0.29 0.00 0.00 0.00 0.00 61.98 61.34 2dkr s VAL 61 Cb -0.04 -1.17 -0.05 0.00 0.00 0.00 0.00 36.38 35.12 2dkr s VAL 61 CO 0.12 0.39 1.62 -0.94 0.00 0.00 0.00 175.10 176.30 2dkr s SER 62 N 1.36 6.63 0.00 3.32 1.04 -1.26 -1.63 113.70 123.16 2dkr s SER 62 Ca -0.00 2.08 0.02 0.00 0.48 0.00 0.00 55.95 58.53 2dkr s SER 62 Cb -0.14 -2.53 -0.02 0.00 0.10 0.00 0.00 66.02 63.43 2dkr s SER 62 CO -0.05 -0.98 0.11 1.33 0.98 0.00 0.00 173.24 174.63 2dkr n VAL 63 N 5.65 0.00 -0.28 5.02 0.24 -1.12 -4.72 118.33 123.12 2dkr n VAL 63 Ca 0.17 -0.45 0.19 0.00 -2.04 0.00 0.00 64.34 62.21 2dkr n VAL 63 Cb 0.43 1.00 0.36 0.00 -1.47 0.00 0.00 33.84 34.16 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 -0.99 -0.06 -2.31 7.34 -0.58 -1.09 0.36 120.64 123.31 2dkr n GLU 64 Ca 0.00 1.22 -0.28 0.00 -0.42 0.00 0.00 57.16 57.69 2dkr n GLU 64 Cb 0.03 -2.05 0.01 0.00 -0.57 0.00 0.00 31.44 28.87 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 -1.34 6.03 3.41 0.62 0.00 -1.26 -4.91 105.19 107.75 2dkr n GLY 65 Ca 0.25 -2.71 -0.20 0.00 0.00 0.00 0.00 46.02 43.36 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 -3.61 1.56 0.99 1.61 0.41 0.16 -5.15 118.70 114.67 2dkr s GLU 66 Ca 0.49 -1.85 -0.12 0.00 -0.41 0.00 0.00 54.97 53.09 2dkr s GLU 66 Cb 0.41 -0.77 0.18 0.00 -1.78 0.00 0.00 34.13 32.17 2dkr s GLU 66 CO -0.17 -0.17 1.08 -0.65 -0.49 0.00 0.00 175.26 174.87 2dkr s GLN 67 N -3.89 0.49 -0.02 1.61 1.11 -1.26 -4.86 119.66 112.84 2dkr s GLN 67 Ca 0.35 0.70 -0.21 0.00 0.01 0.00 0.00 55.36 56.21 2dkr s GLN 67 Cb 0.08 -1.73 -0.13 0.00 -1.01 0.00 0.00 33.01 30.22 2dkr s GLN 67 CO 0.14 -2.74 0.92 1.25 0.01 0.00 0.00 175.29 174.87 2dkr h HIS 68 N -1.90 -0.49 -0.83 0.91 -0.00 -1.93 -3.28 115.15 107.62 2dkr h HIS 68 Ca -0.54 -0.01 0.16 0.00 -0.00 0.00 0.00 60.37 59.98 2dkr h HIS 68 Cb 1.31 0.16 -0.16 0.00 -0.00 0.00 0.00 27.41 28.73 2dkr h HIS 68 CO 0.34 -0.19 -0.23 0.93 -0.00 0.00 0.00 177.93 178.78 2dkr h GLU 69 N -1.02 -0.01 -0.98 5.26 5.08 -1.97 0.29 114.58 121.24 2dkr h GLU 69 Ca -0.05 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.61 2dkr h GLU 69 Cb 0.53 0.00 -0.18 0.00 0.50 0.00 0.00 28.75 29.60 2dkr h GLU 69 CO 0.09 -0.01 0.16 -0.22 -1.00 0.00 0.00 179.01 178.03 2dkr h LYS 70 N -0.01 0.03 -0.18 2.33 3.11 -1.95 0.55 116.57 120.44 2dkr h LYS 70 Ca 0.39 -0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 58.20 2dkr h LYS 70 Cb 0.61 -0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.83 2dkr h LYS 70 CO -0.86 0.02 0.02 0.00 -2.81 0.00 0.00 179.45 175.82 2dkr h ALA 71 N 1.97 0.24 0.45 5.00 0.00 -0.52 -2.14 119.26 124.26 2dkr h ALA 71 Ca 0.65 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 55.36 2dkr h ALA 71 Cb 1.44 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 19.15 2dkr h ALA 71 CO -0.86 -0.08 -0.30 0.28 0.00 0.00 0.00 179.25 178.29 2dkr h VAL 72 N 0.08 0.39 -0.98 0.00 2.07 0.19 -2.48 116.25 115.53 2dkr h VAL 72 Ca 0.05 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.73 2dkr h VAL 72 Cb 0.34 0.39 -0.09 0.00 -1.52 0.00 0.00 31.29 30.40 2dkr h VAL 72 CO 0.01 0.00 0.61 1.05 0.02 0.00 0.00 177.57 179.26 2dkr h GLU 73 N -0.72 0.79 -0.13 1.57 4.11 -0.82 -1.59 114.58 117.79 2dkr h GLU 73 Ca -0.05 -0.05 0.04 0.00 0.07 0.00 0.00 59.36 59.37 2dkr h GLU 73 Cb 0.60 -0.18 -0.04 0.00 0.50 0.00 0.00 28.75 29.63 2dkr h GLU 73 CO 0.03 0.52 -0.11 -0.07 0.07 0.00 0.00 179.01 179.46 2dkr h LEU 74 N 0.82 -0.34 0.20 3.06 3.38 -0.94 0.42 115.31 121.90 2dkr h LEU 74 Ca 0.52 0.07 0.01 0.00 0.09 0.00 0.00 57.88 58.57 2dkr h LEU 74 Cb 0.74 0.17 -0.04 0.00 0.09 0.00 0.00 40.66 41.62 2dkr h LEU 74 CO -0.30 -0.14 -0.40 -0.07 0.09 0.00 0.00 178.44 177.62 2dkr h LEU 75 N -0.12 -1.14 -1.26 1.67 3.38 -0.93 -0.98 115.31 115.93 2dkr h LEU 75 Ca 0.09 0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.19 2dkr h LEU 75 Cb 0.25 0.42 -0.04 0.00 0.09 0.00 0.00 40.66 41.37 2dkr h LEU 75 CO -0.21 -0.49 0.51 0.11 0.09 0.00 0.00 178.44 178.45 2dkr h LYS 76 N -0.68 0.97 -0.79 1.13 1.57 -1.28 -1.87 116.57 115.62 2dkr h LYS 76 Ca 0.01 -0.06 0.03 0.00 -1.87 0.00 0.00 60.65 58.76 2dkr h LYS 76 Cb 0.68 -0.22 -0.04 0.00 0.08 0.00 0.00 32.23 32.73 2dkr h LYS 76 CO -0.19 0.64 0.52 0.00 -0.57 0.00 0.00 179.45 179.86 2dkr h ALA 77 N 1.53 1.51 -2.18 3.86 0.00 0.59 -3.43 119.26 121.14 2dkr h ALA 77 Ca 0.29 -0.04 -0.47 0.00 0.00 0.00 0.00 54.91 54.69 2dkr h ALA 77 Cb -0.05 -0.28 0.21 0.00 0.00 0.00 0.00 17.79 17.66 2dkr h ALA 77 CO -0.07 0.42 0.08 0.00 0.00 0.00 0.00 179.25 179.68 2dkr s ALA 78 N -5.84 0.19 -0.26 0.00 0.00 -0.44 -5.05 121.76 110.36 2dkr s ALA 78 Ca -0.11 0.18 -0.02 0.00 0.00 0.00 0.00 51.96 52.02 2dkr s ALA 78 Cb 0.18 -3.34 0.15 0.00 0.00 0.00 0.00 23.12 20.11 2dkr s ALA 78 CO 0.78 -3.51 0.42 -0.65 0.00 0.00 0.00 175.76 172.81 2dkr s GLN 79 N -4.50 0.39 0.00 0.00 -0.21 -1.26 -4.95 119.66 109.13 2dkr s GLN 79 Ca 0.68 0.54 0.00 0.00 0.02 0.00 0.00 55.36 56.60 2dkr s GLN 79 Cb -0.25 -0.29 0.00 0.00 1.00 0.00 0.00 33.01 33.48 2dkr s GLN 79 CO 0.62 -0.71 0.00 0.41 -2.12 0.00 0.00 175.29 173.50 2dkr n GLY 80 N 5.37 3.03 3.49 3.09 0.00 -1.26 -5.01 105.19 113.90 2dkr n GLY 80 Ca -0.02 -0.83 -0.16 0.00 0.00 0.00 0.00 46.02 45.01 2dkr n GLY 80 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dkr s SER 81 N 0.00 -0.62 -0.05 1.61 1.04 -1.26 -2.55 113.70 111.87 2dkr s SER 81 Ca 0.00 0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.89 2dkr s SER 81 Cb 0.00 0.55 0.02 0.00 0.10 0.00 0.00 66.02 66.69 2dkr s SER 81 CO 0.00 -0.73 -0.07 0.68 0.98 0.00 0.00 173.24 174.09 2dkr s VAL 82 N -2.13 0.73 -0.55 5.02 -7.23 -0.73 -4.82 120.40 110.69 2dkr s VAL 82 Ca -0.06 -0.25 -0.19 0.00 -1.81 0.00 0.00 61.98 59.66 2dkr s VAL 82 Cb -0.00 -0.70 0.07 0.00 0.56 0.00 0.00 36.38 36.31 2dkr s VAL 82 CO 0.01 0.26 0.68 -0.54 -0.31 0.00 0.00 175.10 175.20 2dkr s LYS 83 N 0.72 3.10 -0.42 4.82 1.02 -1.26 -2.08 119.74 125.64 2dkr s LYS 83 Ca -0.11 -1.02 -0.19 0.00 0.02 0.00 0.00 55.97 54.67 2dkr s LYS 83 Cb -0.14 -4.16 0.02 0.00 -0.52 0.00 0.00 37.83 33.03 2dkr s LYS 83 CO 0.01 -1.37 0.54 -0.51 -0.92 0.00 0.00 175.35 173.10 2dkr s LEU 84 N 2.77 4.62 0.14 3.17 1.43 -0.97 -1.91 118.68 127.94 2dkr s LEU 84 Ca 0.15 -0.42 -0.21 0.00 -1.03 0.00 0.00 54.13 52.61 2dkr s LEU 84 Cb -0.21 -2.57 -0.07 0.00 0.03 0.00 0.00 46.19 43.37 2dkr s LEU 84 CO 0.10 -0.65 0.66 -0.69 0.23 0.00 0.00 176.35 176.00 2dkr s VAL 85 N 2.48 4.60 0.08 -1.59 1.01 -0.42 -0.68 120.40 125.87 2dkr s VAL 85 Ca 0.18 1.34 -0.04 0.00 0.00 0.00 0.00 61.98 63.46 2dkr s VAL 85 Cb -0.15 -3.95 -0.02 0.00 0.00 0.00 0.00 36.38 32.26 2dkr s VAL 85 CO 0.16 0.44 0.08 0.68 0.00 0.00 0.00 175.10 176.46 2dkr s VAL 86 N -1.25 0.17 -0.23 2.92 -7.23 -1.24 -1.96 120.40 111.57 2dkr s VAL 86 Ca 0.35 -1.57 -0.12 0.00 -1.81 0.00 0.00 61.98 58.83 2dkr s VAL 86 Cb -0.19 -1.54 -0.05 0.00 0.56 0.00 0.00 36.38 35.16 2dkr s VAL 86 CO 0.22 -0.76 0.23 -0.60 -0.31 0.00 0.00 175.10 173.87 2dkr s ARG 87 N -3.92 4.10 -0.08 4.82 3.52 -1.24 -3.87 118.95 122.28 2dkr s ARG 87 Ca 0.09 -0.13 -0.15 0.00 -0.13 0.00 0.00 55.73 55.41 2dkr s ARG 87 Cb 0.06 -3.54 -0.05 0.00 -1.56 0.00 0.00 34.95 29.87 2dkr s ARG 87 CO -0.08 0.04 0.39 0.45 -0.81 0.00 0.00 175.30 175.28 2dkr s SER 88 N 1.04 6.66 -0.42 -2.12 0.15 -1.26 -4.74 113.70 113.01 2dkr s SER 88 Ca 0.11 0.78 0.03 0.00 0.70 0.00 0.00 55.95 57.57 2dkr s SER 88 Cb -0.14 -2.24 0.12 0.00 -1.71 0.00 0.00 66.02 62.05 2dkr s SER 88 CO 0.05 0.17 0.16 -0.83 1.20 0.00 0.00 173.24 174.00 2dkr s GLY 89 N -0.15 1.96 -0.97 9.45 0.00 -1.26 -5.05 107.32 111.30 2dkr s GLY 89 Ca 0.22 -2.70 -0.24 0.00 0.00 0.00 0.00 44.72 42.00 2dkr s GLY 89 CO 0.09 1.16 1.94 2.56 0.00 0.00 0.00 173.10 178.86 2dkr s PRO 90 N 0.47 2.54 -0.92 2.90 0.04 -1.26 -3.37 135.00 135.41 2dkr s PRO 90 Ca 0.14 -0.48 -0.05 0.00 0.04 0.00 0.00 61.00 60.64 2dkr s PRO 90 Cb -0.22 -5.10 0.01 0.00 0.04 0.00 0.00 34.50 29.22 2dkr s PRO 90 CO -0.06 -3.52 0.80 0.45 0.04 0.00 0.00 177.00 174.71 2dkr n SER 91 N 14.08 -4.69 -0.10 6.66 2.88 -1.26 -4.96 113.62 126.23 2dkr n SER 91 Ca 0.41 -0.37 -0.23 0.00 -1.33 0.00 0.00 58.87 57.35 2dkr n SER 91 Cb 0.47 -3.61 -0.12 0.00 -0.75 0.00 0.00 64.21 60.21 2dkr n SER 91 CO 0.00 0.00 0.00 -1.54 -1.23 0.00 0.00 175.04 172.27 2dkr n SER 92 N -1.68 1.88 0.00 -3.46 3.41 -1.22 -5.33 113.62 107.22 2dkr n SER 92 Ca -0.02 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 59.00 2dkr n SER 92 Cb 0.55 -0.95 0.00 0.00 -0.26 0.00 0.00 64.21 63.55 2dkr n SER 92 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49