#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk2 n SER 2 N 0.00 0.70 0.06 1.61 3.41 -1.26 -5.10 113.62 113.04 2dk2 n SER 2 Ca 0.00 0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.72 2dk2 n SER 2 Cb 0.00 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.59 2dk2 n SER 2 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 2dk2 n SER 3 N -3.17 -1.10 -3.81 4.04 2.88 -1.26 -5.16 113.62 106.04 2dk2 n SER 3 Ca -0.03 0.34 -0.12 0.00 -1.33 0.00 0.00 58.87 57.72 2dk2 n SER 3 Cb 0.11 1.27 0.04 0.00 -0.75 0.00 0.00 64.21 64.87 2dk2 n SER 3 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk2 n GLY 4 N -1.40 2.07 3.00 0.46 0.00 -1.26 -4.86 105.19 103.19 2dk2 n GLY 4 Ca 0.00 -2.20 -0.09 0.00 0.00 0.00 0.00 46.02 43.74 2dk2 n GLY 4 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2dk2 n SER 5 N -2.50 -7.26 -4.78 1.61 7.64 -1.26 -4.81 113.62 102.26 2dk2 n SER 5 Ca 0.09 0.71 -0.36 0.00 1.01 0.00 0.00 58.87 60.32 2dk2 n SER 5 Cb 0.37 -3.86 -0.03 0.00 -1.01 0.00 0.00 64.21 59.68 2dk2 n SER 5 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk2 s SER 6 N -1.70 6.54 0.00 6.43 0.15 -1.26 -4.81 113.70 119.05 2dk2 s SER 6 Ca 0.13 2.07 0.00 0.00 0.70 0.00 0.00 55.95 58.85 2dk2 s SER 6 Cb -0.02 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 61.70 2dk2 s SER 6 CO 0.61 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 175.02 2dk2 n GLY 7 N 0.24 1.46 3.39 9.45 0.00 -1.26 -5.13 105.19 113.33 2dk2 n GLY 7 Ca 0.06 -0.72 -0.23 0.00 0.00 0.00 0.00 46.02 45.14 2dk2 n GLY 7 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2dk2 s ASP 8 N 1.22 3.03 0.26 1.61 1.01 -1.26 -4.95 116.67 117.58 2dk2 s ASP 8 Ca 0.00 -0.94 0.04 0.00 0.71 0.00 0.00 52.55 52.36 2dk2 s ASP 8 Cb 0.00 -0.21 0.34 0.00 1.01 0.00 0.00 42.92 44.07 2dk2 s ASP 8 CO 0.00 -0.02 1.64 1.55 0.21 0.00 0.00 175.17 178.55 2dk2 h PRO 9 N 2.85 0.33 0.00 8.23 0.13 -2.02 -2.91 132.00 138.60 2dk2 h PRO 9 Ca -0.42 -0.17 -0.04 0.00 -0.87 0.00 0.00 66.00 64.50 2dk2 h PRO 9 Cb 1.22 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2dk2 h PRO 9 CO 0.55 0.72 -0.18 0.93 -0.23 0.00 0.00 178.00 179.79 2dk2 h GLU 10 N 0.27 0.00 -0.22 0.86 3.07 -1.98 0.11 114.58 116.69 2dk2 h GLU 10 Ca 0.02 0.00 -0.17 0.00 -0.50 0.00 0.00 59.36 58.71 2dk2 h GLU 10 Cb 0.91 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 28.81 2dk2 h GLU 10 CO 0.07 0.18 -0.55 0.28 -1.40 0.00 0.00 179.01 177.60 2dk2 h VAL 11 N 0.00 1.30 0.00 3.13 2.07 -1.94 -3.20 116.25 117.61 2dk2 h VAL 11 Ca -0.00 -1.77 -0.24 0.00 0.82 0.00 0.00 66.70 65.51 2dk2 h VAL 11 Cb 0.40 1.72 -0.04 0.00 -1.52 0.00 0.00 31.29 31.85 2dk2 h VAL 11 CO 0.02 0.56 -1.29 0.24 0.02 0.00 0.00 177.57 177.12 2dk2 h MET 12 N 0.51 0.00 -0.23 1.57 2.86 -1.48 -3.30 114.93 114.86 2dk2 h MET 12 Ca 0.01 0.00 0.07 0.00 -2.06 0.00 0.00 59.70 57.72 2dk2 h MET 12 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 2dk2 h MET 12 CO 0.11 0.75 0.27 0.00 1.06 0.00 0.00 176.91 179.10 2dk2 h ALA 13 N 1.03 1.86 -0.11 6.32 0.00 -0.78 0.95 119.26 128.53 2dk2 h ALA 13 Ca -0.13 -0.01 -0.12 0.00 0.00 0.00 0.00 54.91 54.65 2dk2 h ALA 13 Cb 1.85 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.65 2dk2 h ALA 13 CO 0.10 -0.39 -0.48 -0.22 0.00 0.00 0.00 179.25 178.27 2dk2 h LYS 14 N 0.00 0.27 -6.28 0.00 3.11 -1.63 -3.44 116.57 108.60 2dk2 h LYS 14 Ca 0.11 -0.15 -0.55 0.00 -2.81 0.00 0.00 60.65 57.25 2dk2 h LYS 14 Cb 0.64 0.01 -0.01 0.00 -1.00 0.00 0.00 32.23 31.87 2dk2 h LYS 14 CO -0.00 0.70 1.05 0.08 -2.81 0.00 0.00 179.45 178.46 2dk2 s VAL 15 N -4.01 3.60 -0.10 2.00 1.01 0.33 -4.87 120.40 118.36 2dk2 s VAL 15 Ca -0.05 0.78 0.15 0.00 0.00 0.00 0.00 61.98 62.87 2dk2 s VAL 15 Cb 0.13 -3.50 0.34 0.00 0.00 0.00 0.00 36.38 33.34 2dk2 s VAL 15 CO 0.79 -0.06 1.16 2.29 0.00 0.00 0.00 175.10 179.28 2dk2 n LYS 16 N 6.83 0.81 -3.87 2.72 2.85 -1.26 -4.65 118.16 121.59 2dk2 n LYS 16 Ca 0.17 -2.43 -0.21 0.00 -1.05 0.00 0.00 58.31 54.79 2dk2 n LYS 16 Cb 0.43 -0.93 -0.17 0.00 -0.65 0.00 0.00 35.03 33.70 2dk2 n LYS 16 CO 0.00 0.00 0.00 0.08 -0.05 0.00 0.00 177.40 177.43 2dk2 s VAL 17 N -1.70 0.31 -0.23 0.58 1.01 -1.26 -3.94 120.40 115.16 2dk2 s VAL 17 Ca 0.30 0.10 -0.12 0.00 0.00 0.00 0.00 61.98 62.26 2dk2 s VAL 17 Cb 0.30 -0.44 -0.05 0.00 0.00 0.00 0.00 36.38 36.20 2dk2 s VAL 17 CO -0.07 0.22 0.22 -0.76 0.00 0.00 0.00 175.10 174.70 2dk2 s LEU 18 N 1.57 4.12 -0.63 3.92 1.43 -1.25 -2.84 118.68 124.99 2dk2 s LEU 18 Ca -0.02 0.20 -0.21 0.00 -1.03 0.00 0.00 54.13 53.08 2dk2 s LEU 18 Cb -0.13 -2.20 0.09 0.00 0.03 0.00 0.00 46.19 43.98 2dk2 s LEU 18 CO -0.03 0.03 0.84 0.12 0.23 0.00 0.00 176.35 177.54 2dk2 s PHE 19 N 1.15 2.84 -0.44 0.29 2.19 -0.29 -4.26 117.98 119.46 2dk2 s PHE 19 Ca 0.10 -0.77 -0.20 0.00 0.33 0.00 0.00 56.93 56.39 2dk2 s PHE 19 Cb -0.14 -4.16 0.02 0.00 -1.31 0.00 0.00 43.02 37.43 2dk2 s PHE 19 CO 0.05 -1.48 0.60 0.08 1.83 0.00 0.00 175.22 176.30 2dk2 s VAL 20 N 3.37 4.88 0.35 3.12 1.01 -1.24 -0.94 120.40 130.96 2dk2 s VAL 20 Ca 0.17 -0.00 0.07 0.00 0.00 0.00 0.00 61.98 62.22 2dk2 s VAL 20 Cb -0.20 -4.17 -0.01 0.00 0.00 0.00 0.00 36.38 31.99 2dk2 s VAL 20 CO 0.08 -0.57 0.43 -0.60 0.00 0.00 0.00 175.10 174.44 2dk2 s ARG 21 N 2.67 2.95 -0.56 2.72 3.52 0.06 -1.28 118.95 129.04 2dk2 s ARG 21 Ca 0.20 -1.14 -0.12 0.00 -0.13 0.00 0.00 55.73 54.55 2dk2 s ARG 21 Cb -0.15 -2.70 0.02 0.00 -1.56 0.00 0.00 34.95 30.56 2dk2 s ARG 21 CO 0.18 0.03 0.64 0.09 -0.81 0.00 0.00 175.30 175.42 2dk2 n ASN 22 N -1.58 -7.59 -4.94 -2.12 4.13 -1.14 -0.68 115.26 101.34 2dk2 n ASN 22 Ca 0.00 0.21 -0.22 0.00 1.68 0.00 0.00 54.58 56.25 2dk2 n ASN 22 Cb 0.59 -4.93 0.01 0.00 -1.54 0.00 0.00 39.78 33.91 2dk2 n ASN 22 CO 0.00 0.00 0.00 -0.76 0.28 0.00 0.00 177.26 176.78 2dk2 s LEU 23 N -3.18 3.05 0.07 3.41 1.02 -0.02 -4.01 118.68 119.00 2dk2 s LEU 23 Ca 0.16 -0.96 -0.05 0.00 0.02 0.00 0.00 54.13 53.31 2dk2 s LEU 23 Cb -0.04 -1.62 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 2dk2 s LEU 23 CO 0.78 -1.04 0.30 0.00 0.02 0.00 0.00 176.35 176.41 2dk2 s ALA 24 N -2.64 3.85 -0.14 4.21 0.00 -1.26 -5.00 121.76 120.77 2dk2 s ALA 24 Ca 0.47 -0.61 0.16 0.00 0.00 0.00 0.00 51.96 51.98 2dk2 s ALA 24 Cb -0.04 -2.05 -0.05 0.00 0.00 0.00 0.00 23.12 20.98 2dk2 s ALA 24 CO 0.29 0.69 1.09 1.15 0.00 0.00 0.00 175.76 178.97 2dk2 h THR 25 N 2.53 0.61 0.00 0.00 2.02 -1.99 -3.31 112.91 112.78 2dk2 h THR 25 Ca -0.48 -2.01 -0.11 0.00 0.77 0.00 0.00 66.41 64.58 2dk2 h THR 25 Cb 1.18 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 69.73 2dk2 h THR 25 CO 0.70 0.35 -0.51 0.71 0.37 0.00 0.00 175.52 177.14 2dk2 h THR 26 N 0.00 0.98 -4.34 3.16 1.35 -1.99 -3.45 112.91 108.61 2dk2 h THR 26 Ca -0.09 -2.08 -0.50 0.00 -0.55 0.00 0.00 66.41 63.19 2dk2 h THR 26 Cb 1.46 2.27 0.09 0.00 -1.73 0.00 0.00 68.15 70.25 2dk2 h THR 26 CO 0.05 0.50 0.37 0.68 -0.25 0.00 0.00 175.52 176.87 2dk2 s VAL 27 N -3.20 3.77 0.27 6.82 -7.23 -1.25 -5.09 120.40 114.49 2dk2 s VAL 27 Ca 0.02 0.57 0.04 0.00 -1.81 0.00 0.00 61.98 60.81 2dk2 s VAL 27 Cb 0.09 -3.38 -0.06 0.00 0.56 0.00 0.00 36.38 33.59 2dk2 s VAL 27 CO 0.73 -0.75 0.00 0.28 -0.31 0.00 0.00 175.10 175.05 2dk2 s THR 28 N -3.14 1.19 0.54 5.32 -1.32 -1.26 -4.97 115.64 112.00 2dk2 s THR 28 Ca 0.58 -2.04 0.30 0.00 -1.21 0.00 0.00 61.69 59.32 2dk2 s THR 28 Cb -0.13 -2.49 0.46 0.00 -1.51 0.00 0.00 72.50 68.83 2dk2 s THR 28 CO 0.54 -0.23 1.92 -0.33 -2.21 0.00 0.00 174.62 174.32 2dk2 h GLU 29 N 2.34 0.00 0.01 7.08 5.08 -1.98 -0.58 114.58 126.52 2dk2 h GLU 29 Ca -0.39 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.97 2dk2 h GLU 29 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2dk2 h GLU 29 CO 0.66 0.00 -0.00 1.49 -1.00 0.00 0.00 179.01 180.16 2dk2 h GLU 30 N 0.00 -0.01 0.38 2.33 4.22 -1.99 -1.33 114.58 118.18 2dk2 h GLU 30 Ca 0.37 0.00 -0.02 0.00 0.08 0.00 0.00 59.36 59.80 2dk2 h GLU 30 Cb 1.50 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.76 2dk2 h GLU 30 CO -0.00 0.17 -0.18 0.82 -2.18 0.00 0.00 179.01 177.64 2dk2 h ILE 31 N -0.19 0.63 -0.49 2.32 2.04 -1.53 -2.35 117.51 117.94 2dk2 h ILE 31 Ca -0.00 -0.34 0.14 0.00 1.00 0.00 0.00 64.86 65.67 2dk2 h ILE 31 Cb 0.18 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 37.04 2dk2 h ILE 31 CO 0.00 0.06 0.41 -0.07 0.00 0.00 0.00 178.15 178.56 2dk2 h LEU 32 N -0.70 0.00 0.32 1.44 3.38 -1.40 -1.01 115.31 117.34 2dk2 h LEU 32 Ca -0.05 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.90 2dk2 h LEU 32 Cb 0.49 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.24 2dk2 h LEU 32 CO 0.08 0.00 -0.15 -0.33 0.09 0.00 0.00 178.44 178.13 2dk2 h GLU 33 N 0.00 -0.41 -0.55 1.13 5.08 -0.90 -3.22 114.58 115.70 2dk2 h GLU 33 Ca 0.23 0.03 0.16 0.00 -1.00 0.00 0.00 59.36 58.78 2dk2 h GLU 33 Cb 1.05 0.09 -0.02 0.00 0.50 0.00 0.00 28.75 30.38 2dk2 h GLU 33 CO -0.00 -0.28 0.45 0.87 -1.00 0.00 0.00 179.01 179.05 2dk2 h LYS 34 N -0.79 0.00 -0.47 2.33 1.57 -1.03 0.28 116.57 118.46 2dk2 h LYS 34 Ca -0.04 0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 2dk2 h LYS 34 Cb 0.33 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.60 2dk2 h LYS 34 CO 0.07 0.00 0.22 0.77 -0.57 0.00 0.00 179.45 179.94 2dk2 h SER 35 N 0.00 0.30 0.55 0.86 0.02 -1.21 -2.64 113.55 111.44 2dk2 h SER 35 Ca 0.26 0.03 -0.23 0.00 -0.84 0.00 0.00 61.79 61.01 2dk2 h SER 35 Cb 1.15 -0.02 -0.04 0.00 0.14 0.00 0.00 62.40 63.63 2dk2 h SER 35 CO -0.00 0.21 -1.61 0.49 -1.14 0.00 0.00 176.83 174.78 2dk2 n PHE 36 N -4.92 0.91 0.15 3.45 3.72 -0.33 -3.99 117.46 116.44 2dk2 n PHE 36 Ca 0.04 0.32 0.18 0.00 -0.05 0.00 0.00 57.45 57.93 2dk2 n PHE 36 Cb 0.13 -1.12 0.78 0.00 -0.94 0.00 0.00 39.48 38.34 2dk2 n PHE 36 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 2dk2 h SER 37 N 0.00 0.00 0.61 4.37 4.64 -0.31 0.24 113.55 123.10 2dk2 h SER 37 Ca -0.24 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.02 2dk2 h SER 37 Cb 1.80 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.89 2dk2 h SER 37 CO 0.06 0.00 -0.28 -0.33 -0.87 0.00 0.00 176.83 175.41 2dk2 h GLU 38 N 0.00 0.00 0.00 4.77 5.08 -1.61 -3.21 114.58 119.61 2dk2 h GLU 38 Ca 0.13 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 2dk2 h GLU 38 Cb 0.69 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2dk2 h GLU 38 CO -0.00 0.28 -0.23 0.74 -1.00 0.00 0.00 179.01 178.80 2dk2 h PHE 39 N 0.00 0.00 -2.84 4.33 -1.00 -0.76 -3.50 116.94 113.17 2dk2 h PHE 39 Ca -0.00 0.00 0.06 0.00 2.81 0.00 0.00 57.97 60.84 2dk2 h PHE 39 Cb 0.65 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.18 2dk2 h PHE 39 CO 0.00 0.97 0.33 0.20 -1.61 0.00 0.00 178.31 178.21 2dk2 s GLY 40 N -4.27 0.10 -0.50 -1.45 0.00 -1.04 -5.04 107.32 95.12 2dk2 s GLY 40 Ca -0.19 -0.42 -0.27 0.00 0.00 0.00 0.00 44.72 43.84 2dk2 s GLY 40 CO 0.60 0.17 1.90 1.25 0.00 0.00 0.00 173.10 177.03 2dk2 s LYS 41 N -2.96 2.81 1.08 2.90 2.36 -1.26 -4.22 119.74 120.46 2dk2 s LYS 41 Ca 0.14 0.99 -0.13 0.00 -2.55 0.00 0.00 55.97 54.42 2dk2 s LYS 41 Cb -0.05 -4.35 0.23 0.00 -1.05 0.00 0.00 37.83 32.62 2dk2 s LYS 41 CO 0.08 -2.50 1.07 -0.51 1.55 0.00 0.00 175.35 175.04 2dk2 s LEU 42 N 8.70 1.16 -0.14 5.43 1.43 -1.26 -2.93 118.68 131.06 2dk2 s LEU 42 Ca 0.75 1.19 -0.06 0.00 -1.03 0.00 0.00 54.13 54.99 2dk2 s LEU 42 Cb -0.17 -3.22 -0.07 0.00 0.03 0.00 0.00 46.19 42.77 2dk2 s LEU 42 CO 0.26 -3.62 -0.18 -0.62 0.23 0.00 0.00 176.35 172.42 2dk2 n GLU 43 N -4.50 0.31 -3.65 1.70 -0.58 0.83 -4.65 120.64 110.10 2dk2 n GLU 43 Ca 0.05 0.13 -0.02 0.00 -0.42 0.00 0.00 57.16 56.89 2dk2 n GLU 43 Cb 0.57 -1.07 -0.07 0.00 -0.57 0.00 0.00 31.44 30.30 2dk2 n GLU 43 CO 0.00 0.00 0.00 0.50 -0.48 0.00 0.00 177.13 177.15 2dk2 s ARG 44 N -2.27 0.03 0.12 3.49 3.52 -1.24 -4.93 118.95 117.66 2dk2 s ARG 44 Ca -0.20 0.03 0.11 0.00 -0.13 0.00 0.00 55.73 55.53 2dk2 s ARG 44 Cb 0.07 0.01 -0.04 0.00 -1.56 0.00 0.00 34.95 33.44 2dk2 s ARG 44 CO 0.27 -0.00 -0.26 0.08 -0.81 0.00 0.00 175.30 174.57 2dk2 s VAL 45 N -0.07 2.17 -0.09 7.11 1.01 -1.26 -0.83 120.40 128.45 2dk2 s VAL 45 Ca 0.08 -1.71 -0.06 0.00 0.00 0.00 0.00 61.98 60.28 2dk2 s VAL 45 Cb -0.05 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2dk2 s VAL 45 CO -0.16 0.07 0.22 -0.75 0.00 0.00 0.00 175.10 174.48 2dk2 s LYS 46 N -2.01 0.22 -0.63 2.72 2.47 -0.36 -4.98 119.74 117.17 2dk2 s LYS 46 Ca 0.13 0.37 -0.22 0.00 -1.56 0.00 0.00 55.97 54.69 2dk2 s LYS 46 Cb -0.10 0.02 0.07 0.00 -1.46 0.00 0.00 37.83 36.36 2dk2 s LYS 46 CO 0.06 -0.08 0.91 0.21 0.16 0.00 0.00 175.35 176.60 2dk2 s LYS 47 N 0.54 3.13 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.79 2dk2 s LYS 47 Ca -0.04 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.76 2dk2 s LYS 47 Cb -0.05 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.03 -1.70 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.69 2dk2 s LEU 48 N 3.79 2.62 0.00 5.43 2.01 -1.13 -5.03 118.68 126.36 2dk2 s LEU 48 Ca 0.21 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.18 2dk2 s LEU 48 Cb -0.17 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.82 2dk2 s LEU 48 CO 0.11 -0.23 0.00 0.29 1.01 0.00 0.00 176.35 177.53 2dk2 n LYS 49 N 4.65 0.00 0.22 1.70 4.76 -1.26 -2.89 118.16 125.34 2dk2 n LYS 49 Ca -0.12 0.00 0.15 0.00 -2.87 0.00 0.00 58.31 55.46 2dk2 n LYS 49 Cb 0.44 0.00 0.77 0.00 -1.84 0.00 0.00 35.03 34.40 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 -1.37 0.00 0.00 177.40 175.59 2dk2 h ASP 50 N 0.00 0.00 -4.84 4.39 3.32 -1.96 -3.43 116.42 113.90 2dk2 h ASP 50 Ca 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 57.03 56.79 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 2dk2 h ASP 50 CO 0.00 0.00 -0.10 0.00 -1.72 0.00 0.00 179.24 177.42 2dk2 n TYR 51 N -2.53 -1.62 -3.92 4.55 0.18 -1.14 -0.84 117.16 111.84 2dk2 n TYR 51 Ca -0.02 -1.08 -0.09 0.00 1.88 0.00 0.00 57.90 58.59 2dk2 n TYR 51 Cb 0.07 -0.23 -0.08 0.00 -0.38 0.00 0.00 39.34 38.72 2dk2 n TYR 51 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dk2 s ALA 52 N -2.36 -0.06 -0.29 -3.48 0.00 -0.40 -2.86 121.76 112.31 2dk2 s ALA 52 Ca 0.20 -0.71 0.02 0.00 0.00 0.00 0.00 51.96 51.47 2dk2 s ALA 52 Cb -0.02 0.39 0.07 0.00 0.00 0.00 0.00 23.12 23.57 2dk2 s ALA 52 CO 0.13 -0.44 -0.04 -0.06 0.00 0.00 0.00 175.76 175.35 2dk2 s PHE 53 N -3.62 3.40 -0.04 0.00 0.08 -0.46 -3.67 117.98 113.68 2dk2 s PHE 53 Ca 0.03 -2.41 0.06 0.00 0.12 0.00 0.00 56.93 54.74 2dk2 s PHE 53 Cb 0.04 -2.26 -0.02 0.00 -0.57 0.00 0.00 43.02 40.21 2dk2 s PHE 53 CO -0.09 -0.89 -0.21 0.08 -0.10 0.00 0.00 175.22 174.01 2dk2 s VAL 54 N 1.08 2.45 0.18 -0.44 1.01 -1.26 -1.22 120.40 122.21 2dk2 s VAL 54 Ca -0.03 -0.95 0.07 0.00 0.00 0.00 0.00 61.98 61.07 2dk2 s VAL 54 Cb -0.20 -1.91 -0.04 0.00 0.00 0.00 0.00 36.38 34.24 2dk2 s VAL 54 CO -0.05 0.58 0.04 -1.00 0.00 0.00 0.00 175.10 174.67 2dk2 s HIS 55 N -0.57 2.91 0.14 5.22 3.76 -0.01 -3.88 115.29 122.86 2dk2 s HIS 55 Ca 0.08 -0.11 0.07 0.00 -0.15 0.00 0.00 55.06 54.95 2dk2 s HIS 55 Cb -0.11 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2dk2 s HIS 55 CO 0.00 0.52 -0.16 -0.06 -0.85 0.00 0.00 174.74 174.20 2dk2 s PHE 56 N -1.79 1.58 0.58 1.40 0.40 -1.25 -0.12 117.98 118.78 2dk2 s PHE 56 Ca 0.29 -0.52 0.28 0.00 -0.60 0.00 0.00 56.93 56.37 2dk2 s PHE 56 Cb -0.09 -0.81 1.57 0.00 0.51 0.00 0.00 43.02 44.20 2dk2 s PHE 56 CO 0.20 0.22 2.06 1.49 0.70 0.00 0.00 175.22 179.89 2dk2 h GLU 57 N 3.40 0.00 0.00 0.44 4.22 -1.80 -3.44 114.58 117.40 2dk2 h GLU 57 Ca -0.41 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.02 2dk2 h GLU 57 Cb 1.20 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2dk2 h GLU 57 CO 0.51 0.00 0.23 -3.47 -2.18 0.00 0.00 179.01 174.10 2dk2 n ASP 58 N -3.91 -1.70 -0.05 1.04 2.03 -1.26 -5.06 116.55 107.64 2dk2 n ASP 58 Ca 0.04 -2.15 -0.15 0.00 0.52 0.00 0.00 54.79 53.05 2dk2 n ASP 58 Cb 0.41 2.83 -0.07 0.00 -0.72 0.00 0.00 41.12 43.56 2dk2 n ASP 58 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 2dk2 h ARG 59 N 0.00 0.54 -0.07 -0.67 1.12 -1.84 -3.22 114.38 110.24 2dk2 h ARG 59 Ca -0.25 -0.36 0.04 0.00 -1.11 0.00 0.00 59.98 58.30 2dk2 h ARG 59 Cb 0.93 0.05 -0.05 0.00 -0.01 0.00 0.00 29.97 30.89 2dk2 h ARG 59 CO 0.32 0.98 -0.26 0.78 -3.11 0.00 0.00 179.97 178.68 2dk2 h GLY 60 N 0.18 -0.34 0.69 2.80 0.00 -1.91 0.24 103.07 104.73 2dk2 h GLY 60 Ca -0.00 0.31 0.18 0.00 0.00 0.00 0.00 47.33 47.82 2dk2 h GLY 60 CO 0.08 -0.21 0.48 0.00 0.00 0.00 0.00 176.54 176.90 2dk2 h ALA 61 N 0.52 2.50 0.21 3.60 0.00 -1.98 0.20 119.26 124.32 2dk2 h ALA 61 Ca 0.08 -0.02 -0.34 0.00 0.00 0.00 0.00 54.91 54.63 2dk2 h ALA 61 Cb 0.48 0.05 0.02 0.00 0.00 0.00 0.00 17.79 18.34 2dk2 h ALA 61 CO -0.27 -0.80 -1.59 0.00 0.00 0.00 0.00 179.25 176.59 2dk2 h ALA 62 N 1.61 0.01 0.34 0.00 0.00 -1.08 -3.17 119.26 116.97 2dk2 h ALA 62 Ca 0.29 -1.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.18 2dk2 h ALA 62 Cb 1.26 0.33 0.00 0.00 0.00 0.00 0.00 17.79 19.38 2dk2 h ALA 62 CO -0.00 0.85 -0.16 0.28 0.00 0.00 0.00 179.25 180.21 2dk2 h VAL 63 N 0.09 0.59 -0.27 0.00 2.07 0.11 0.42 116.25 119.27 2dk2 h VAL 63 Ca -0.30 -0.62 0.08 0.00 0.82 0.00 0.00 66.70 66.68 2dk2 h VAL 63 Cb 2.10 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 32.73 2dk2 h VAL 63 CO 0.21 0.11 0.28 0.50 0.02 0.00 0.00 177.57 178.69 2dk2 h LYS 64 N -0.85 0.00 0.00 1.57 3.11 -0.87 0.19 116.57 119.72 2dk2 h LYS 64 Ca -0.05 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.79 2dk2 h LYS 64 Cb 0.53 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.76 2dk2 h LYS 64 CO 0.08 0.00 -0.08 0.00 -2.81 0.00 0.00 179.45 176.64 2dk2 h ALA 65 N 1.69 0.00 -0.28 5.00 0.00 -1.49 -3.34 119.26 120.85 2dk2 h ALA 65 Ca 0.13 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.03 2dk2 h ALA 65 Cb 0.69 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 2dk2 h ALA 65 CO -0.00 0.08 0.28 1.98 0.00 0.00 0.00 179.25 181.59 2dk2 h MET 66 N -0.81 0.00 -0.68 0.00 1.85 -0.68 0.18 114.93 114.79 2dk2 h MET 66 Ca 0.00 0.00 0.03 0.00 -0.61 0.00 0.00 59.70 59.12 2dk2 h MET 66 Cb 0.08 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.07 2dk2 h MET 66 CO 0.00 0.00 0.43 -0.44 -0.40 0.00 0.00 176.91 176.50 2dk2 h ASP 67 N 0.00 0.71 0.04 1.39 5.19 -0.76 -0.43 116.42 122.55 2dk2 h ASP 67 Ca 0.13 -0.00 -0.32 0.00 -0.62 0.00 0.00 57.03 56.22 2dk2 h ASP 67 Cb 0.70 -0.15 -0.04 0.00 0.18 0.00 0.00 39.33 40.02 2dk2 h ASP 67 CO -0.00 0.49 -1.78 -0.62 -3.12 0.00 0.00 179.24 174.21 2dk2 n GLU 68 N -4.67 0.64 -0.29 3.56 -0.58 -0.39 -4.25 120.64 114.66 2dk2 n GLU 68 Ca 0.07 0.40 0.16 0.00 -0.42 0.00 0.00 57.16 57.37 2dk2 n GLU 68 Cb 0.08 -1.68 0.42 0.00 -0.57 0.00 0.00 31.44 29.69 2dk2 n GLU 68 CO 0.00 0.00 0.00 0.52 -0.48 0.00 0.00 177.13 177.17 2dk2 h MET 69 N -0.59 0.57 -5.58 3.49 2.86 -0.75 -3.40 114.93 111.52 2dk2 h MET 69 Ca -0.44 -0.03 -0.54 0.00 -2.06 0.00 0.00 59.70 56.62 2dk2 h MET 69 Cb 1.62 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 33.13 2dk2 h MET 69 CO -0.14 0.37 1.60 -1.71 1.06 0.00 0.00 176.91 178.09 2dk2 n ASN 70 N -4.60 1.79 -0.02 1.22 5.15 -0.17 -0.82 115.26 117.80 2dk2 n ASN 70 Ca 0.20 -0.04 0.00 0.00 -0.60 0.00 0.00 54.58 54.14 2dk2 n ASN 70 Cb 0.62 -1.32 0.00 0.00 -0.53 0.00 0.00 39.78 38.55 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dk2 n GLY 71 N 6.28 1.45 3.98 8.20 0.00 -1.26 -5.01 105.19 118.83 2dk2 n GLY 71 Ca 0.45 -0.09 -0.18 0.00 0.00 0.00 0.00 46.02 46.21 2dk2 n GLY 71 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2dk2 s LYS 72 N -0.97 2.80 -0.36 1.61 -0.14 0.00 -5.04 119.74 117.65 2dk2 s LYS 72 Ca 0.00 -1.28 0.04 0.00 -1.36 0.00 0.00 55.97 53.37 2dk2 s LYS 72 Cb 0.00 -2.68 0.10 0.00 -1.68 0.00 0.00 37.83 33.57 2dk2 s LYS 72 CO 0.00 -0.22 0.07 -2.00 -0.76 0.00 0.00 175.35 172.45 2dk2 s GLU 73 N -4.28 1.54 -0.32 1.68 2.12 -1.26 -3.33 118.70 114.85 2dk2 s GLU 73 Ca 0.52 -1.92 -0.14 0.00 0.36 0.00 0.00 54.97 53.79 2dk2 s GLU 73 Cb -0.09 -3.24 -0.02 0.00 0.26 0.00 0.00 34.13 31.04 2dk2 s GLU 73 CO 0.32 -0.96 0.34 0.42 -0.54 0.00 0.00 175.26 174.83 2dk2 s ILE 74 N 0.84 5.19 -1.75 -3.70 1.01 -1.12 -4.24 121.20 117.43 2dk2 s ILE 74 Ca 0.11 0.16 0.00 0.00 0.00 0.00 0.00 60.65 60.92 2dk2 s ILE 74 Cb -0.20 -3.75 0.00 0.00 0.01 0.00 0.00 42.46 38.52 2dk2 s ILE 74 CO -0.07 0.01 0.00 1.21 0.00 0.00 0.00 174.94 176.09 2dk2 n GLU 75 N 5.32 -1.62 -1.77 2.79 4.07 -1.26 -1.35 120.64 126.82 2dk2 n GLU 75 Ca -0.10 0.99 -0.10 0.00 -0.06 0.00 0.00 57.16 57.90 2dk2 n GLU 75 Cb 0.50 -5.62 -0.02 0.00 -0.06 0.00 0.00 31.44 26.24 2dk2 n GLU 75 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 2dk2 n GLY 76 N -1.00 0.52 3.09 8.31 0.00 -1.26 -5.01 105.19 109.84 2dk2 n GLY 76 Ca -0.24 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 44.97 2dk2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk2 s GLU 77 N -3.72 2.44 -0.38 1.61 0.41 -0.46 -5.07 118.70 113.52 2dk2 s GLU 77 Ca 0.00 -0.64 -0.27 0.00 -0.41 0.00 0.00 54.97 53.65 2dk2 s GLU 77 Cb 0.00 -2.03 -0.06 0.00 -1.78 0.00 0.00 34.13 30.27 2dk2 s GLU 77 CO 0.00 -0.04 2.26 -1.21 -0.49 0.00 0.00 175.26 175.79 2dk2 s GLU 78 N 0.90 2.60 -0.03 1.61 2.02 -1.26 -2.81 118.70 121.74 2dk2 s GLU 78 Ca -0.08 1.59 -0.13 0.00 0.02 0.00 0.00 54.97 56.37 2dk2 s GLU 78 Cb -0.15 -4.47 -0.05 0.00 0.10 0.00 0.00 34.13 29.56 2dk2 s GLU 78 CO -0.01 -2.71 0.35 0.96 0.02 0.00 0.00 175.26 173.88 2dk2 s ILE 79 N 10.19 5.13 0.16 -1.63 -5.25 -1.21 -4.79 121.20 123.79 2dk2 s ILE 79 Ca 0.96 0.71 0.07 0.00 -0.99 0.00 0.00 60.65 61.39 2dk2 s ILE 79 Cb -0.23 -3.65 -0.04 0.00 2.95 0.00 0.00 42.46 41.49 2dk2 s ILE 79 CO 0.30 0.58 0.02 -0.70 -1.79 0.00 0.00 174.94 173.35 2dk2 s GLU 80 N -1.05 2.49 -0.06 0.37 2.12 0.15 -4.26 118.70 118.46 2dk2 s GLU 80 Ca 0.22 -1.03 -0.02 0.00 0.36 0.00 0.00 54.97 54.49 2dk2 s GLU 80 Cb -0.16 -2.42 0.04 0.00 0.26 0.00 0.00 34.13 31.85 2dk2 s GLU 80 CO 0.11 0.47 0.11 0.42 -0.54 0.00 0.00 175.26 175.84 2dk2 s ILE 81 N -1.66 -0.11 0.01 -3.70 1.01 -1.26 -0.76 121.20 114.73 2dk2 s ILE 81 Ca 0.28 0.26 0.01 0.00 0.00 0.00 0.00 60.65 61.19 2dk2 s ILE 81 Cb -0.10 -0.20 -0.01 0.00 0.01 0.00 0.00 42.46 42.16 2dk2 s ILE 81 CO 0.19 0.11 -0.03 0.68 0.00 0.00 0.00 174.94 175.89 2dk2 s VAL 82 N 1.52 0.21 -0.01 2.92 -7.23 -0.11 -4.98 120.40 112.72 2dk2 s VAL 82 Ca -0.05 -0.38 -0.30 0.00 -1.81 0.00 0.00 61.98 59.44 2dk2 s VAL 82 Cb -0.12 -0.23 -0.07 0.00 0.56 0.00 0.00 36.38 36.52 2dk2 s VAL 82 CO -0.05 -0.12 1.79 -0.76 -0.31 0.00 0.00 175.10 175.66 2dk2 s LEU 83 N -0.53 4.37 -0.19 1.32 1.43 -1.26 -1.14 118.68 122.69 2dk2 s LEU 83 Ca -0.04 2.44 -0.23 0.00 -1.03 0.00 0.00 54.13 55.27 2dk2 s LEU 83 Cb -0.04 -3.53 -0.02 0.00 0.03 0.00 0.00 46.19 42.63 2dk2 s LEU 83 CO -0.00 -0.98 0.74 0.00 0.23 0.00 0.00 176.35 176.33 2dk2 s ALA 84 N 4.13 3.54 0.09 4.21 0.00 -1.13 -4.88 121.76 127.72 2dk2 s ALA 84 Ca 0.80 -0.12 0.02 0.00 0.00 0.00 0.00 51.96 52.66 2dk2 s ALA 84 Cb -0.38 -3.11 -0.04 0.00 0.00 0.00 0.00 23.12 19.59 2dk2 s ALA 84 CO 0.35 -0.62 0.16 -1.59 0.00 0.00 0.00 175.76 174.06 2dk2 s LYS 85 N 2.08 3.16 0.96 0.00 0.00 -1.26 -4.69 119.74 119.98 2dk2 s LYS 85 Ca 0.33 -0.61 -0.12 0.00 0.00 0.00 0.00 55.97 55.57 2dk2 s LYS 85 Cb -0.16 -2.86 0.17 0.00 0.00 0.00 0.00 37.83 34.97 2dk2 s LYS 85 CO 0.11 0.57 1.09 -1.25 0.00 0.00 0.00 175.35 175.87 2dk2 s PRO 86 N -2.63 0.74 0.81 1.78 0.04 -1.26 -5.03 135.00 129.44 2dk2 s PRO 86 Ca 0.32 0.63 -0.11 0.00 0.04 0.00 0.00 61.00 61.89 2dk2 s PRO 86 Cb -0.12 -1.76 0.08 0.00 0.04 0.00 0.00 34.50 32.73 2dk2 s PRO 86 CO 0.25 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.59 2dk2 s PRO 87 N -4.95 1.99 -0.34 0.56 0.04 -1.26 -5.02 135.00 126.02 2dk2 s PRO 87 Ca 0.65 1.08 0.15 0.00 0.04 0.00 0.00 61.00 62.92 2dk2 s PRO 87 Cb -0.18 -1.87 0.44 0.00 0.04 0.00 0.00 34.50 32.92 2dk2 s PRO 87 CO 0.57 -1.80 1.12 -3.47 0.04 0.00 0.00 177.00 173.46 2dk2 n ASP 88 N -3.62 0.26 -3.20 6.66 2.03 -1.26 -5.02 116.55 112.39 2dk2 n ASP 88 Ca 0.09 -2.55 -0.12 0.00 0.52 0.00 0.00 54.79 52.73 2dk2 n ASP 88 Cb 0.54 0.02 0.01 0.00 -0.72 0.00 0.00 41.12 40.96 2dk2 n ASP 88 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 2dk2 n LYS 89 N -0.35 -1.73 -0.81 -0.67 5.02 -1.26 -4.95 118.16 113.41 2dk2 n LYS 89 Ca 0.04 1.51 -0.29 0.00 -2.02 0.00 0.00 58.31 57.55 2dk2 n LYS 89 Cb 0.83 -4.60 0.21 0.00 -0.02 0.00 0.00 35.03 31.45 2dk2 n LYS 89 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2dk2 s LYS 90 N -3.21 -0.14 -1.10 1.97 1.02 -1.26 -4.89 119.74 112.14 2dk2 s LYS 90 Ca 0.12 0.80 -0.22 0.00 0.02 0.00 0.00 55.97 56.69 2dk2 s LYS 90 Cb -0.02 -1.65 0.05 0.00 -0.52 0.00 0.00 37.83 35.69 2dk2 s LYS 90 CO 0.80 -3.19 1.54 0.50 -0.92 0.00 0.00 175.35 174.07 2dk2 s ARG 91 N -4.68 3.69 0.02 1.68 3.52 -1.26 -4.94 118.95 116.99 2dk2 s ARG 91 Ca 0.67 -1.36 0.04 0.00 -0.13 0.00 0.00 55.73 54.94 2dk2 s ARG 91 Cb -0.22 -5.41 -0.02 0.00 -1.56 0.00 0.00 34.95 27.74 2dk2 s ARG 91 CO 0.61 -2.24 -0.12 0.45 -0.81 0.00 0.00 175.30 173.20 2dk2 s SER 92 N 4.79 1.36 -0.46 -2.12 0.15 -1.26 -5.09 113.70 111.07 2dk2 s SER 92 Ca 0.48 -0.38 0.07 0.00 0.70 0.00 0.00 55.95 56.82 2dk2 s SER 92 Cb 0.01 -0.09 0.23 0.00 -1.71 0.00 0.00 66.02 64.46 2dk2 s SER 92 CO -0.05 0.02 0.75 0.61 1.20 0.00 0.00 173.24 175.77 2dk2 n GLY 93 N 2.14 0.81 0.92 9.45 0.00 -1.26 -5.15 105.19 112.10 2dk2 n GLY 93 Ca -0.17 -0.34 -0.08 0.00 0.00 0.00 0.00 46.02 45.43 2dk2 n GLY 93 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2dk2 n PRO 94 N 1.80 -1.58 -2.91 1.61 -0.04 -1.26 -4.93 135.00 127.68 2dk2 n PRO 94 Ca 0.14 -0.46 -0.44 0.00 -0.04 0.00 0.00 63.50 62.71 2dk2 n PRO 94 Cb 0.59 -0.43 -0.02 0.00 -0.04 0.00 0.00 33.50 33.60 2dk2 n PRO 94 CO 0.00 0.00 0.00 -1.12 -0.04 0.00 0.00 175.50 174.34 2dk2 s SER 95 N -2.28 6.70 0.34 3.54 0.01 -1.26 -4.94 113.70 115.81 2dk2 s SER 95 Ca 0.19 -2.19 0.00 0.00 1.31 0.00 0.00 55.95 55.25 2dk2 s SER 95 Cb -0.02 -2.41 0.00 0.00 0.21 0.00 0.00 66.02 63.81 2dk2 s SER 95 CO 0.14 -1.02 0.00 -1.20 0.41 0.00 0.00 173.24 171.57 2dk2 n SER 96 N 6.48 -8.63 0.00 2.44 7.64 -1.26 -5.38 113.62 114.92 2dk2 n SER 96 Ca 0.27 0.58 0.00 0.00 1.01 0.00 0.00 58.87 60.72 2dk2 n SER 96 Cb 0.48 -4.40 0.00 0.00 -1.01 0.00 0.00 64.21 59.28 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64