#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 0.54 -1.85 1.61 0.87 -2.05 -3.44 113.55 109.23 2dkr h SER 2 Ca 0.00 0.03 -0.62 0.00 -1.23 0.00 0.00 61.79 59.97 2dkr h SER 2 Cb 0.00 -0.07 -0.13 0.00 -0.44 0.00 0.00 62.40 61.76 2dkr h SER 2 CO 0.00 0.35 -0.65 -0.55 -0.53 0.00 0.00 176.83 175.45 2dkr s SER 3 N -5.59 3.83 0.00 6.23 0.15 -1.26 -4.98 113.70 112.08 2dkr s SER 3 Ca -0.13 -1.22 0.00 0.00 0.70 0.00 0.00 55.95 55.30 2dkr s SER 3 Cb 0.16 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 64.09 2dkr s SER 3 CO 0.76 -0.28 0.00 0.61 1.20 0.00 0.00 173.24 175.53 2dkr n GLY 4 N -0.87 1.28 2.87 9.45 0.00 -1.26 -4.96 105.19 111.71 2dkr n GLY 4 Ca -0.05 -0.94 -0.15 0.00 0.00 0.00 0.00 46.02 44.88 2dkr n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dkr s SER 5 N -4.00 0.28 1.12 1.61 0.15 -1.26 -5.15 113.70 106.45 2dkr s SER 5 Ca 0.00 0.29 -0.17 0.00 0.70 0.00 0.00 55.95 56.77 2dkr s SER 5 Cb 0.00 0.20 0.16 0.00 -1.71 0.00 0.00 66.02 64.66 2dkr s SER 5 CO 0.00 -0.19 0.20 -1.20 1.20 0.00 0.00 173.24 173.25 2dkr n SER 6 N 4.69 -2.74 -4.56 5.45 7.64 -1.26 -4.80 113.62 118.04 2dkr n SER 6 Ca -0.17 -0.29 -0.42 0.00 1.01 0.00 0.00 58.87 59.00 2dkr n SER 6 Cb 0.51 -0.90 -0.02 0.00 -1.01 0.00 0.00 64.21 62.79 2dkr n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dkr s GLY 7 N -2.01 1.37 -0.20 0.23 0.00 -1.24 -4.97 107.32 100.50 2dkr s GLY 7 Ca 0.51 -2.41 -0.09 0.00 0.00 0.00 0.00 44.72 42.72 2dkr s GLY 7 CO 0.54 2.65 0.11 0.54 0.00 0.00 0.00 173.10 176.95 2dkr s VAL 8 N 4.69 5.18 -0.18 1.40 0.11 -1.26 -1.62 120.40 128.72 2dkr s VAL 8 Ca 0.47 0.11 -0.03 0.00 -2.93 0.00 0.00 61.98 59.60 2dkr s VAL 8 Cb 0.00 -3.37 -0.02 0.00 -1.53 0.00 0.00 36.38 31.47 2dkr s VAL 8 CO -0.07 0.42 -0.06 -0.69 -3.33 0.00 0.00 175.10 171.38 2dkr s VAL 9 N 0.55 3.47 -0.22 2.04 1.01 0.80 -4.98 120.40 123.07 2dkr s VAL 9 Ca 0.06 -0.48 -0.06 0.00 0.00 0.00 0.00 61.98 61.50 2dkr s VAL 9 Cb -0.12 -2.54 -0.03 0.00 0.00 0.00 0.00 36.38 33.70 2dkr s VAL 9 CO 0.00 0.46 0.03 -0.70 0.00 0.00 0.00 175.10 174.90 2dkr s GLU 10 N 0.90 3.65 0.14 2.72 -6.30 -1.26 -0.40 118.70 118.14 2dkr s GLU 10 Ca -0.01 -0.49 0.09 0.00 -2.50 0.00 0.00 54.97 52.06 2dkr s GLU 10 Cb -0.15 -3.19 -0.04 0.00 0.00 0.00 0.00 34.13 30.75 2dkr s GLU 10 CO 0.01 -0.07 -0.22 -0.51 0.02 0.00 0.00 175.26 174.50 2dkr s LEU 11 N 1.24 2.36 0.07 2.70 1.43 -0.92 -5.02 118.68 120.55 2dkr s LEU 11 Ca 0.04 -0.77 -0.31 0.00 -1.03 0.00 0.00 54.13 52.06 2dkr s LEU 11 Cb -0.15 -0.97 -0.07 0.00 0.03 0.00 0.00 46.19 45.04 2dkr s LEU 11 CO 0.02 0.06 1.40 -2.16 0.23 0.00 0.00 176.35 175.90 2dkr s PRO 12 N -2.30 4.31 -0.49 1.29 0.04 -1.26 -1.96 135.00 134.63 2dkr s PRO 12 Ca 0.12 2.03 -0.21 0.00 0.04 0.00 0.00 61.00 62.98 2dkr s PRO 12 Cb -0.08 -3.39 0.04 0.00 0.04 0.00 0.00 34.50 31.11 2dkr s PRO 12 CO 0.06 -0.49 0.73 0.21 0.04 0.00 0.00 177.00 177.55 2dkr s LYS 13 N 1.63 3.26 0.03 4.56 2.47 -0.29 -4.84 119.74 126.57 2dkr s LYS 13 Ca 0.64 -0.46 -0.25 0.00 -1.56 0.00 0.00 55.97 54.34 2dkr s LYS 13 Cb -0.35 -4.02 0.06 0.00 -1.46 0.00 0.00 37.83 32.07 2dkr s LYS 13 CO 0.29 -1.20 0.58 -0.08 0.16 0.00 0.00 175.35 175.10 2dkr s THR 14 N 3.10 0.02 0.38 3.43 -1.32 -1.26 -3.83 115.64 116.15 2dkr s THR 14 Ca 0.23 -0.12 0.22 0.00 -1.21 0.00 0.00 61.69 60.80 2dkr s THR 14 Cb -0.15 -0.98 0.37 0.00 -1.51 0.00 0.00 72.50 70.24 2dkr s THR 14 CO 0.17 -0.07 1.60 -2.24 -2.21 0.00 0.00 174.62 171.87 2dkr h ASP 15 N 2.76 0.34 -0.88 8.08 2.03 -2.02 0.25 116.42 126.99 2dkr h ASP 15 Ca -0.30 0.23 0.13 0.00 -0.73 0.00 0.00 57.03 56.36 2dkr h ASP 15 Cb 1.20 0.22 -0.14 0.00 -0.83 0.00 0.00 39.33 39.79 2dkr h ASP 15 CO 0.40 -0.34 -0.34 1.21 -1.03 0.00 0.00 179.24 179.13 2dkr n GLU 16 N -5.13 -0.21 0.00 4.15 0.00 -1.26 -4.92 120.64 113.28 2dkr n GLU 16 Ca 0.37 1.35 0.00 0.00 0.00 0.00 0.00 57.16 58.88 2dkr n GLU 16 Cb 1.27 -2.00 0.00 0.00 0.00 0.00 0.00 31.44 30.71 2dkr n GLU 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dkr n GLY 17 N -1.41 2.26 0.11 8.31 0.00 0.08 -4.97 105.19 109.56 2dkr n GLY 17 Ca 0.09 -2.15 -0.20 0.00 0.00 0.00 0.00 46.02 43.76 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 1.93 0.00 0.99 7.99 -1.26 -4.70 117.00 121.94 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 -0.81 0.00 0.00 -0.11 0.00 0.00 43.42 42.50 2dkr n LEU 18 CO 0.00 0.16 0.00 0.61 -1.51 0.00 0.00 177.39 176.65 2dkr n GLY 19 N 1.37 0.95 3.18 -0.72 0.00 -1.26 -0.54 105.19 108.17 2dkr n GLY 19 Ca -0.34 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.78 0.07 0.06 1.61 -0.71 -1.26 -1.89 117.98 114.08 2dkr s PHE 20 Ca 0.00 -0.31 0.06 0.00 -1.04 0.00 0.00 56.93 55.65 2dkr s PHE 20 Cb 0.00 -0.03 -0.03 0.00 -1.21 0.00 0.00 43.02 41.75 2dkr s PHE 20 CO 0.00 -0.44 -0.17 -0.80 -1.34 0.00 0.00 175.22 172.47 2dkr s ASN 21 N -2.16 2.08 0.02 1.98 0.01 0.16 -4.98 114.94 112.05 2dkr s ASN 21 Ca -0.04 -0.56 0.02 0.00 -0.71 0.00 0.00 52.86 51.57 2dkr s ASN 21 Cb -0.00 -0.13 -0.01 0.00 0.41 0.00 0.00 41.25 41.51 2dkr s ASN 21 CO -0.05 0.05 -0.06 0.27 -1.51 0.00 0.00 177.10 175.80 2dkr s ILE 22 N -1.00 0.44 0.01 0.60 -4.36 -1.26 0.84 121.20 116.48 2dkr s ILE 22 Ca 0.03 -0.67 -0.03 0.00 -0.26 0.00 0.00 60.65 59.72 2dkr s ILE 22 Cb -0.09 -0.46 -0.01 0.00 1.25 0.00 0.00 42.46 43.15 2dkr s ILE 22 CO 0.02 -0.16 0.04 0.00 0.24 0.00 0.00 174.94 175.08 2dkr s MET 23 N -0.90 0.39 0.00 0.37 0.23 -1.12 -4.78 119.30 113.48 2dkr s MET 23 Ca -0.05 -0.53 0.00 0.00 -1.03 0.00 0.00 55.69 54.08 2dkr s MET 23 Cb -0.06 0.15 0.00 0.00 -1.53 0.00 0.00 34.83 33.39 2dkr s MET 23 CO 0.00 -0.08 0.00 0.41 -2.03 0.00 0.00 175.02 173.32 2dkr n GLY 24 N 1.51 0.38 7.00 3.16 0.00 -1.26 -3.76 105.19 112.23 2dkr n GLY 24 Ca -0.23 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.58 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 1.80 1.38 -0.02 0.00 -0.09 -2.82 105.19 105.43 2dkr n GLY 25 Ca 0.00 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.09 2dkr n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2dkr n LYS 26 N 0.00 3.65 -2.93 1.61 4.81 -1.26 -3.71 118.16 120.32 2dkr n LYS 26 Ca 0.00 -2.82 -0.43 0.00 -0.87 0.00 0.00 58.31 54.19 2dkr n LYS 26 Cb 0.00 -1.86 -0.05 0.00 0.02 0.00 0.00 35.03 33.14 2dkr n LYS 26 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 2dkr s GLU 27 N -2.07 3.28 -1.47 1.64 2.02 -1.13 -4.14 118.70 116.83 2dkr s GLU 27 Ca 0.46 -0.43 -0.11 0.00 0.02 0.00 0.00 54.97 54.92 2dkr s GLU 27 Cb 0.32 -4.06 0.05 0.00 0.10 0.00 0.00 34.13 30.54 2dkr s GLU 27 CO 0.19 -1.39 0.93 0.94 0.02 0.00 0.00 175.26 175.94 2dkr n GLN 28 N 7.07 -5.81 -3.79 1.61 -0.06 -1.26 -1.44 117.38 113.69 2dkr n GLN 28 Ca -0.01 0.69 -0.26 0.00 -2.00 0.00 0.00 57.00 55.42 2dkr n GLN 28 Cb 0.47 -5.60 0.04 0.00 -4.06 0.00 0.00 30.24 21.09 2dkr n GLN 28 CO 0.00 0.00 0.00 0.09 -0.20 0.00 0.00 177.06 176.95 2dkr n ASN 29 N -2.77 -3.91 -4.88 1.69 3.02 -1.26 -4.97 115.26 102.19 2dkr n ASN 29 Ca 0.01 -0.75 -0.37 0.00 -0.03 0.00 0.00 54.58 53.44 2dkr n ASN 29 Cb 0.55 -4.16 -0.06 0.00 -0.61 0.00 0.00 39.78 35.50 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 -3.65 6.42 0.69 6.41 0.01 -0.52 -5.04 113.70 118.01 2dkr s SER 30 Ca 0.44 0.50 -0.14 0.00 1.31 0.00 0.00 55.95 58.06 2dkr s SER 30 Cb -0.22 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 63.95 2dkr s SER 30 CO 0.81 0.40 1.11 -2.16 0.41 0.00 0.00 173.24 173.80 2dkr s PRO 31 N -1.06 2.67 -0.37 12.44 0.04 -1.26 -0.91 135.00 146.54 2dkr s PRO 31 Ca 0.16 1.34 -0.22 0.00 0.04 0.00 0.00 61.00 62.32 2dkr s PRO 31 Cb -0.12 -1.94 0.01 0.00 0.04 0.00 0.00 34.50 32.49 2dkr s PRO 31 CO 0.05 -1.34 0.72 0.42 0.04 0.00 0.00 177.00 176.89 2dkr s ILE 32 N -2.47 4.79 0.32 0.56 1.01 -1.26 -3.48 121.20 120.67 2dkr s ILE 32 Ca 0.66 0.70 0.06 0.00 0.00 0.00 0.00 60.65 62.06 2dkr s ILE 32 Cb -0.20 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.08 2dkr s ILE 32 CO 0.45 -0.41 0.24 -0.72 0.00 0.00 0.00 174.94 174.50 2dkr s TYR 33 N 2.95 1.69 -0.39 3.97 -0.85 -1.25 -0.07 117.35 123.40 2dkr s TYR 33 Ca 0.28 -1.59 -0.27 0.00 -0.52 0.00 0.00 57.07 54.98 2dkr s TYR 33 Cb -0.14 -0.75 0.02 0.00 0.38 0.00 0.00 41.96 41.47 2dkr s TYR 33 CO 0.17 -0.77 0.99 0.42 -1.52 0.00 0.00 175.55 174.83 2dkr s ILE 34 N -3.51 4.49 -0.11 -3.49 -1.09 -0.97 -2.79 121.20 113.74 2dkr s ILE 34 Ca 0.39 1.26 -0.26 0.00 -2.23 0.00 0.00 60.65 59.80 2dkr s ILE 34 Cb 0.03 -4.41 -0.22 0.00 -1.58 0.00 0.00 42.46 36.28 2dkr s ILE 34 CO 0.24 -0.64 0.82 0.77 -1.23 0.00 0.00 174.94 174.90 2dkr h SER 35 N 8.59 -0.01 -5.02 3.58 4.64 0.14 -2.28 113.55 123.18 2dkr h SER 35 Ca -0.23 -0.79 -0.16 0.00 -0.47 0.00 0.00 61.79 60.14 2dkr h SER 35 Cb 1.07 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 63.00 2dkr h SER 35 CO 1.02 0.82 -0.69 -0.60 -0.87 0.00 0.00 176.83 176.51 2dkr s ARG 36 N -2.64 0.60 -0.01 4.77 3.52 -1.17 -4.89 118.95 119.13 2dkr s ARG 36 Ca -0.17 -1.10 0.01 0.00 -0.13 0.00 0.00 55.73 54.34 2dkr s ARG 36 Cb -0.02 0.07 0.00 0.00 -1.56 0.00 0.00 34.95 33.44 2dkr s ARG 36 CO 0.62 -0.07 -0.02 0.08 -0.81 0.00 0.00 175.30 175.10 2dkr s VAL 37 N -3.23 0.19 0.12 7.11 1.01 -1.26 0.37 120.40 124.72 2dkr s VAL 37 Ca 0.03 -0.07 -0.31 0.00 0.00 0.00 0.00 61.98 61.62 2dkr s VAL 37 Cb 0.03 -0.19 -0.08 0.00 0.00 0.00 0.00 36.38 36.14 2dkr s VAL 37 CO -0.06 0.07 1.36 -0.63 0.00 0.00 0.00 175.10 175.83 2dkr s ILE 38 N 0.12 3.37 -2.00 2.22 -1.09 -0.79 -4.88 121.20 118.15 2dkr s ILE 38 Ca -0.01 1.00 0.06 0.00 -2.23 0.00 0.00 60.65 59.47 2dkr s ILE 38 Cb -0.03 -3.64 0.17 0.00 -1.58 0.00 0.00 42.46 37.37 2dkr s ILE 38 CO -0.00 0.09 0.81 -0.81 -1.23 0.00 0.00 174.94 173.79 2dkr n PRO 39 N 3.76 0.48 -2.40 2.79 -0.04 -1.26 -3.39 135.00 134.94 2dkr n PRO 39 Ca 0.10 0.00 -0.03 0.00 -0.04 0.00 0.00 63.50 63.53 2dkr n PRO 39 Cb 0.43 -1.19 0.06 0.00 -0.04 0.00 0.00 33.50 32.76 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 0.52 3.78 0.55 0.00 -1.26 -4.95 105.19 103.82 2dkr n GLY 40 Ca 0.04 -0.08 -0.25 0.00 0.00 0.00 0.00 46.02 45.73 2dkr n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dkr s GLY 41 N -0.66 2.37 0.26 -0.02 0.00 -1.22 -4.86 107.32 103.20 2dkr s GLY 41 Ca 0.08 -1.84 -0.02 0.00 0.00 0.00 0.00 44.72 42.94 2dkr s GLY 41 CO -0.06 -1.92 1.68 -2.08 0.00 0.00 0.00 173.10 170.72 2dkr h VAL 42 N 1.28 0.48 0.36 1.40 2.07 -1.53 0.53 116.25 120.84 2dkr h VAL 42 Ca -0.42 -0.10 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 2dkr h VAL 42 Cb 1.27 0.16 0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2dkr h VAL 42 CO 0.67 0.05 -0.18 0.00 0.02 0.00 0.00 177.57 178.13 2dkr h ALA 43 N 1.66 -0.49 0.56 1.67 0.00 -1.07 -0.78 119.26 120.81 2dkr h ALA 43 Ca 0.47 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 55.24 2dkr h ALA 43 Cb 0.83 0.20 0.01 0.00 0.00 0.00 0.00 17.79 18.83 2dkr h ALA 43 CO -0.53 -0.78 -0.27 0.22 0.00 0.00 0.00 179.25 177.89 2dkr h ASP 44 N -0.50 -0.64 -0.92 0.00 1.82 -1.47 -2.64 116.42 112.07 2dkr h ASP 44 Ca -0.05 0.02 0.22 0.00 -0.39 0.00 0.00 57.03 56.84 2dkr h ASP 44 Cb 0.39 0.17 -0.17 0.00 0.68 0.00 0.00 39.33 40.40 2dkr h ASP 44 CO 0.07 -0.39 -0.04 0.03 -1.61 0.00 0.00 179.24 177.31 2dkr h ARG 45 N -0.90 0.04 0.01 0.28 3.08 -0.06 0.14 114.38 116.96 2dkr h ARG 45 Ca -0.08 -0.00 0.03 0.00 0.07 0.00 0.00 59.98 60.00 2dkr h ARG 45 Cb 0.58 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.58 2dkr h ARG 45 CO 0.13 0.02 -0.25 1.25 -1.07 0.00 0.00 179.97 180.05 2dkr h HIS 46 N 0.04 -0.67 -0.90 3.04 2.76 -1.12 -3.49 115.15 114.81 2dkr h HIS 46 Ca 0.52 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.71 2dkr h HIS 46 Cb 0.97 0.30 0.00 0.00 1.55 0.00 0.00 27.41 30.22 2dkr h HIS 46 CO -0.53 -0.34 0.00 0.41 -1.30 0.00 0.00 177.93 176.17 2dkr n GLY 47 N -1.37 -0.99 0.00 5.26 0.00 0.50 -5.06 105.19 103.53 2dkr n GLY 47 Ca -0.05 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.37 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 0.06 0.05 3.76 -0.02 0.00 -1.26 -5.10 105.19 102.68 2dkr n GLY 48 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 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 4.29 0.10 0.99 1.43 -1.26 -5.03 118.68 119.19 2dkr s LEU 49 Ca 0.00 0.55 -0.01 0.00 -1.03 0.00 0.00 54.13 53.65 2dkr s LEU 49 Cb 0.00 -2.36 -0.04 0.00 0.03 0.00 0.00 46.19 43.82 2dkr s LEU 49 CO 0.00 0.17 0.00 -0.54 0.23 0.00 0.00 176.35 176.21 2dkr s LYS 50 N 0.10 0.79 -0.00 1.70 1.02 -1.26 -4.72 119.74 117.37 2dkr s LYS 50 Ca 0.17 -1.34 -0.32 0.00 0.02 0.00 0.00 55.97 54.50 2dkr s LYS 50 Cb -0.13 0.14 -0.10 0.00 -0.52 0.00 0.00 37.83 37.22 2dkr s LYS 50 CO 0.05 -0.16 1.93 -2.13 -0.92 0.00 0.00 175.35 174.11 2dkr n ARG 51 N -0.01 2.59 0.00 1.68 0.63 -1.26 -1.82 116.66 118.46 2dkr n ARG 51 Ca -0.10 0.95 0.00 0.00 -0.92 0.00 0.00 57.85 57.78 2dkr n ARG 51 Cb 0.62 -2.85 0.00 0.00 0.45 0.00 0.00 32.46 30.68 2dkr n ARG 51 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 2dkr n GLY 52 N 4.46 1.22 3.57 5.14 0.00 -0.86 -4.95 105.19 113.76 2dkr n GLY 52 Ca 0.21 -0.17 -0.50 0.00 0.00 0.00 0.00 46.02 45.56 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 0.03 2.66 -4.74 1.61 9.92 -0.76 -4.46 116.55 120.81 2dkr n ASP 53 Ca 0.00 0.64 -0.41 0.00 -0.53 0.00 0.00 54.79 54.50 2dkr n ASP 53 Cb 0.00 -1.31 -0.05 0.00 -0.64 0.00 0.00 41.12 39.12 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 5.26 4.75 -0.29 -1.24 0.74 -1.26 -2.29 119.66 125.32 2dkr s GLN 54 Ca 1.02 1.44 -0.29 0.00 0.05 0.00 0.00 55.36 57.58 2dkr s GLN 54 Cb -0.79 -3.33 0.01 0.00 1.10 0.00 0.00 33.01 30.00 2dkr s GLN 54 CO 0.51 0.35 1.13 -1.17 -0.55 0.00 0.00 175.29 175.56 2dkr s LEU 55 N -0.51 3.96 -0.14 3.68 2.96 0.90 -3.00 118.68 126.53 2dkr s LEU 55 Ca 0.44 1.17 -0.20 0.00 -0.22 0.00 0.00 54.13 55.32 2dkr s LEU 55 Cb -0.24 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.66 2dkr s LEU 55 CO 0.30 -0.89 0.52 -0.07 -1.32 0.00 0.00 176.35 174.89 2dkr h LEU 56 N 10.15 0.21 -7.00 -0.68 3.38 -1.29 -3.38 115.31 116.70 2dkr h LEU 56 Ca -0.22 -0.79 0.05 0.00 0.09 0.00 0.00 57.88 57.01 2dkr h LEU 56 Cb 1.07 -0.07 -0.17 0.00 0.09 0.00 0.00 40.66 41.58 2dkr h LEU 56 CO 1.02 1.46 0.41 -0.44 0.09 0.00 0.00 178.44 180.98 2dkr s SER 57 N -6.83 -0.45 -0.02 -0.43 0.01 -1.20 -2.65 113.70 102.13 2dkr s SER 57 Ca -0.22 0.21 0.04 0.00 1.31 0.00 0.00 55.95 57.29 2dkr s SER 57 Cb 0.03 0.43 -0.01 0.00 0.21 0.00 0.00 66.02 66.68 2dkr s SER 57 CO 0.71 -0.62 -0.16 -0.69 0.41 0.00 0.00 173.24 172.89 2dkr s VAL 58 N -2.47 1.27 -1.31 3.43 1.01 -0.56 -1.50 120.40 120.27 2dkr s VAL 58 Ca 0.00 -0.66 -0.07 0.00 0.00 0.00 0.00 61.98 61.25 2dkr s VAL 58 Cb -0.01 -1.08 0.05 0.00 0.00 0.00 0.00 36.38 35.34 2dkr s VAL 58 CO -0.04 0.36 0.44 0.59 0.00 0.00 0.00 175.10 176.45 2dkr n ASN 59 N 2.89 -4.27 -1.03 3.32 5.03 -0.68 0.05 115.26 120.56 2dkr n ASN 59 Ca -0.16 -0.27 -0.10 0.00 0.87 0.00 0.00 54.58 54.91 2dkr n ASN 59 Cb 0.54 -3.52 -0.02 0.00 -1.02 0.00 0.00 39.78 35.76 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 -1.19 0.42 3.06 7.41 0.00 -1.26 -5.01 105.19 108.61 2dkr n GLY 60 Ca -0.06 -0.49 -0.31 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.47 1.69 -0.16 1.61 1.01 0.11 -5.08 120.40 117.11 2dkr s VAL 61 Ca 0.00 -0.72 -0.33 0.00 0.00 0.00 0.00 61.98 60.93 2dkr s VAL 61 Cb 0.00 -1.56 -0.10 0.00 0.00 0.00 0.00 36.38 34.72 2dkr s VAL 61 CO 0.00 0.48 2.02 -1.54 0.00 0.00 0.00 175.10 176.06 2dkr n SER 62 N 4.59 3.19 -0.07 3.32 3.41 -1.26 -1.50 113.62 125.31 2dkr n SER 62 Ca -0.18 0.70 -0.08 0.00 -0.26 0.00 0.00 58.87 59.05 2dkr n SER 62 Cb 0.50 -1.40 -0.11 0.00 -0.26 0.00 0.00 64.21 62.95 2dkr n SER 62 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 175.04 176.21 2dkr n VAL 63 N 6.13 0.98 -0.32 -3.33 0.24 -1.14 -4.54 118.33 116.34 2dkr n VAL 63 Ca 0.28 -0.57 0.25 0.00 -2.04 0.00 0.00 64.34 62.25 2dkr n VAL 63 Cb 0.32 -0.70 0.46 0.00 -1.47 0.00 0.00 33.84 32.45 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 -2.60 -0.07 -1.57 7.34 1.02 -1.08 0.12 120.64 123.80 2dkr n GLU 64 Ca -0.24 1.37 -0.36 0.00 -0.02 0.00 0.00 57.16 57.91 2dkr n GLU 64 Cb 0.94 -2.35 0.06 0.00 -0.02 0.00 0.00 31.44 30.07 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 -1.34 5.80 3.36 0.62 0.00 -1.26 -4.96 105.19 107.41 2dkr n GLY 65 Ca 0.31 -2.39 -0.19 0.00 0.00 0.00 0.00 46.02 43.75 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 -3.89 1.59 0.15 1.61 2.02 0.32 -5.14 118.70 115.36 2dkr s GLU 66 Ca 0.60 -1.90 -0.18 0.00 0.02 0.00 0.00 54.97 53.51 2dkr s GLU 66 Cb 0.48 -0.23 -0.07 0.00 0.10 0.00 0.00 34.13 34.41 2dkr s GLU 66 CO -0.14 -0.41 0.62 -0.65 0.02 0.00 0.00 175.26 174.71 2dkr s GLN 67 N -3.86 4.15 0.27 1.61 1.11 -1.26 -4.71 119.66 116.97 2dkr s GLN 67 Ca 0.35 0.71 -0.01 0.00 0.01 0.00 0.00 55.36 56.42 2dkr s GLN 67 Cb 0.06 -3.03 0.59 0.00 -1.01 0.00 0.00 33.01 29.62 2dkr s GLN 67 CO 0.16 0.51 1.39 1.58 0.01 0.00 0.00 175.29 178.94 2dkr n HIS 68 N 1.10 0.48 0.02 0.91 -0.00 -1.26 0.53 115.22 117.01 2dkr n HIS 68 Ca -0.06 1.07 -0.10 0.00 -0.00 0.00 0.00 57.72 58.63 2dkr n HIS 68 Cb 0.51 -1.12 -0.04 0.00 -0.00 0.00 0.00 29.99 29.35 2dkr n HIS 68 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.34 177.27 2dkr h GLU 69 N 0.00 -0.32 -1.02 1.57 4.39 -1.96 -1.19 114.58 116.05 2dkr h GLU 69 Ca 0.50 0.02 0.28 0.00 0.34 0.00 0.00 59.36 60.51 2dkr h GLU 69 Cb 0.96 0.07 -0.13 0.00 -0.10 0.00 0.00 28.75 29.55 2dkr h GLU 69 CO -0.86 -0.21 0.61 -0.22 -1.16 0.00 0.00 179.01 177.16 2dkr h LYS 70 N -0.33 0.43 0.00 2.33 3.64 -0.30 0.96 116.57 123.31 2dkr h LYS 70 Ca 0.08 -0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2dkr h LYS 70 Cb 0.45 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.17 2dkr h LYS 70 CO -0.27 0.29 -0.00 0.00 -2.27 0.00 0.00 179.45 177.20 2dkr h ALA 71 N 1.76 -0.00 0.90 5.00 0.00 -0.91 -2.43 119.26 123.57 2dkr h ALA 71 Ca 0.68 -0.10 -0.04 0.00 0.00 0.00 0.00 54.91 55.45 2dkr h ALA 71 Cb 1.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 19.28 2dkr h ALA 71 CO -0.50 -0.40 -0.43 0.28 0.00 0.00 0.00 179.25 178.20 2dkr h VAL 72 N -0.20 0.00 -0.96 0.00 2.07 -0.41 -2.62 116.25 114.14 2dkr h VAL 72 Ca -0.00 -0.00 0.30 0.00 0.82 0.00 0.00 66.70 67.82 2dkr h VAL 72 Cb 0.20 0.00 -0.16 0.00 -1.52 0.00 0.00 31.29 29.81 2dkr h VAL 72 CO 0.00 0.00 0.35 1.05 0.02 0.00 0.00 177.57 178.99 2dkr h GLU 73 N -1.21 0.16 0.32 1.57 4.11 -1.14 0.98 114.58 119.37 2dkr h GLU 73 Ca -0.12 -0.01 -0.00 0.00 0.07 0.00 0.00 59.36 59.29 2dkr h GLU 73 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.12 2dkr h GLU 73 CO 0.20 0.10 -0.28 -0.07 0.07 0.00 0.00 179.01 179.04 2dkr h LEU 74 N 0.16 -0.74 -0.79 3.06 3.38 -1.21 0.58 115.31 119.76 2dkr h LEU 74 Ca 0.67 0.06 0.19 0.00 0.09 0.00 0.00 57.88 58.89 2dkr h LEU 74 Cb 1.51 0.24 -0.13 0.00 0.09 0.00 0.00 40.66 42.37 2dkr h LEU 74 CO -0.71 -0.41 0.08 -0.07 0.09 0.00 0.00 178.44 177.41 2dkr h LEU 75 N -0.62 -0.23 -0.40 1.67 3.38 -0.44 0.28 115.31 118.95 2dkr h LEU 75 Ca -0.02 0.19 -0.18 0.00 0.09 0.00 0.00 57.88 57.96 2dkr h LEU 75 Cb 0.55 0.31 -0.01 0.00 0.09 0.00 0.00 40.66 41.60 2dkr h LEU 75 CO -0.03 -0.16 -0.77 0.11 0.09 0.00 0.00 178.44 177.67 2dkr h LYS 76 N 0.15 0.27 -0.02 1.13 1.57 -1.08 -3.11 116.57 115.47 2dkr h LYS 76 Ca 0.45 -0.24 -0.00 0.00 -1.87 0.00 0.00 60.65 58.99 2dkr h LYS 76 Cb 0.82 0.06 -0.00 0.00 0.08 0.00 0.00 32.23 33.19 2dkr h LYS 76 CO -0.65 0.92 0.00 0.00 -0.57 0.00 0.00 179.45 179.15 2dkr h ALA 77 N 1.01 1.96 -2.15 3.86 0.00 0.37 -3.43 119.26 120.89 2dkr h ALA 77 Ca -0.03 -0.01 -0.43 0.00 0.00 0.00 0.00 54.91 54.44 2dkr h ALA 77 Cb 1.36 -0.01 0.18 0.00 0.00 0.00 0.00 17.79 19.31 2dkr h ALA 77 CO 0.12 0.03 0.18 0.00 0.00 0.00 0.00 179.25 179.58 2dkr s ALA 78 N -5.07 0.87 -0.17 0.00 0.00 -0.30 -5.07 121.76 112.04 2dkr s ALA 78 Ca -0.05 -0.78 -0.25 0.00 0.00 0.00 0.00 51.96 50.89 2dkr s ALA 78 Cb 0.17 -2.95 0.06 0.00 0.00 0.00 0.00 23.12 20.40 2dkr s ALA 78 CO 0.68 -3.23 0.63 1.14 0.00 0.00 0.00 175.76 174.98 2dkr s GLN 79 N -5.30 0.84 0.00 0.00 -2.07 -1.26 -4.98 119.66 106.89 2dkr s GLN 79 Ca 0.69 0.62 0.00 0.00 -1.82 0.00 0.00 55.36 54.85 2dkr s GLN 79 Cb -0.12 0.40 0.00 0.00 -1.09 0.00 0.00 33.01 32.20 2dkr s GLN 79 CO 0.56 -0.17 0.00 0.41 -1.32 0.00 0.00 175.29 174.77 2dkr n GLY 80 N 2.06 1.55 3.33 2.60 0.00 -1.25 -4.78 105.19 108.71 2dkr n GLY 80 Ca -0.16 -0.03 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.36 -0.02 1.61 1.04 -1.26 -1.14 113.70 113.57 2dkr s SER 81 Ca 0.00 0.34 0.05 0.00 0.48 0.00 0.00 55.95 56.82 2dkr s SER 81 Cb 0.00 0.43 -0.01 0.00 0.10 0.00 0.00 66.02 66.54 2dkr s SER 81 CO 0.00 -0.48 -0.17 0.68 0.98 0.00 0.00 173.24 174.26 2dkr s VAL 82 N -1.17 1.35 -0.39 5.02 -7.23 -0.83 -4.79 120.40 112.36 2dkr s VAL 82 Ca -0.12 -0.71 -0.11 0.00 -1.81 0.00 0.00 61.98 59.23 2dkr s VAL 82 Cb -0.03 -1.13 0.04 0.00 0.56 0.00 0.00 36.38 35.81 2dkr s VAL 82 CO 0.06 0.38 0.22 -0.75 -0.31 0.00 0.00 175.10 174.70 2dkr s LYS 83 N -0.26 2.79 -0.35 4.82 2.20 -1.26 -2.15 119.74 125.52 2dkr s LYS 83 Ca 0.03 -1.15 -0.13 0.00 -0.36 0.00 0.00 55.97 54.36 2dkr s LYS 83 Cb -0.08 -3.75 -0.01 0.00 -1.51 0.00 0.00 37.83 32.48 2dkr s LYS 83 CO 0.00 -0.75 0.24 -0.51 -0.36 0.00 0.00 175.35 173.96 2dkr s LEU 84 N 1.54 4.55 -0.16 5.43 1.43 0.46 -1.69 118.68 130.23 2dkr s LEU 84 Ca 0.02 -0.52 -0.15 0.00 -1.03 0.00 0.00 54.13 52.46 2dkr s LEU 84 Cb -0.20 -2.12 -0.05 0.00 0.03 0.00 0.00 46.19 43.86 2dkr s LEU 84 CO 0.06 -0.26 0.32 -0.69 0.23 0.00 0.00 176.35 176.01 2dkr s VAL 85 N 1.70 5.28 0.33 -1.59 1.01 -0.56 -0.14 120.40 126.43 2dkr s VAL 85 Ca 0.06 0.61 0.03 0.00 0.00 0.00 0.00 61.98 62.68 2dkr s VAL 85 Cb -0.18 -3.66 -0.06 0.00 0.00 0.00 0.00 36.38 32.49 2dkr s VAL 85 CO 0.10 0.37 0.07 0.68 0.00 0.00 0.00 175.10 176.32 2dkr s VAL 86 N 0.58 1.01 -0.33 2.92 -7.23 -0.64 -0.80 120.40 115.91 2dkr s VAL 86 Ca 0.18 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.35 2dkr s VAL 86 Cb -0.13 -2.70 0.08 0.00 0.56 0.00 0.00 36.38 34.19 2dkr s VAL 86 CO 0.05 0.00 0.03 -0.60 -0.31 0.00 0.00 175.10 174.27 2dkr s ARG 87 N -3.88 2.07 -0.07 4.82 6.06 -1.16 -3.72 118.95 123.06 2dkr s ARG 87 Ca 0.34 -1.55 0.06 0.00 -2.50 0.00 0.00 55.73 52.08 2dkr s ARG 87 Cb 0.08 -3.22 0.28 0.00 0.06 0.00 0.00 34.95 32.15 2dkr s ARG 87 CO 0.15 -0.79 0.99 0.45 -2.50 0.00 0.00 175.30 173.61 2dkr n SER 88 N 4.49 2.39 -4.05 -2.12 2.88 -1.26 -4.52 113.62 111.42 2dkr n SER 88 Ca -0.07 -2.26 -0.10 0.00 -1.33 0.00 0.00 58.87 55.12 2dkr n SER 88 Cb 0.42 -0.48 -0.07 0.00 -0.75 0.00 0.00 64.21 63.33 2dkr n SER 88 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dkr s GLY 89 N -0.43 0.78 0.25 0.46 0.00 -1.26 -5.06 107.32 102.07 2dkr s GLY 89 Ca 0.19 -1.11 -0.30 0.00 0.00 0.00 0.00 44.72 43.51 2dkr s GLY 89 CO 0.07 -0.86 1.27 2.56 0.00 0.00 0.00 173.10 176.14 2dkr s PRO 90 N -4.05 4.43 0.27 2.90 0.04 -1.26 -5.01 135.00 132.32 2dkr s PRO 90 Ca 0.27 2.05 -0.29 0.00 0.04 0.00 0.00 61.00 63.07 2dkr s PRO 90 Cb 0.02 -3.16 -0.09 0.00 0.04 0.00 0.00 34.50 31.31 2dkr s PRO 90 CO 0.09 -0.14 0.95 0.45 0.04 0.00 0.00 177.00 178.39 2dkr s SER 91 N -0.13 7.52 0.27 6.66 0.15 -1.26 -4.95 113.70 121.97 2dkr s SER 91 Ca 0.52 1.93 0.00 0.00 0.70 0.00 0.00 55.95 59.10 2dkr s SER 91 Cb -0.36 -2.60 0.63 0.00 -1.71 0.00 0.00 66.02 61.97 2dkr s SER 91 CO 0.43 0.07 1.69 -1.28 1.20 0.00 0.00 173.24 175.35 2dkr h SER 92 N 3.81 0.19 0.00 5.45 0.87 -2.07 -3.56 113.55 118.23 2dkr h SER 92 Ca -0.46 0.15 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 2dkr h SER 92 Cb 1.20 0.16 0.00 0.00 -0.44 0.00 0.00 62.40 63.32 2dkr h SER 92 CO 0.67 -0.02 0.00 0.61 -0.53 0.00 0.00 176.83 177.56