#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 -5.15 0.09 1.61 7.64 -1.26 -4.90 113.62 111.65 2dk2 n SER 2 Ca 0.00 -0.56 -0.04 0.00 1.01 0.00 0.00 58.87 59.28 2dk2 n SER 2 Cb 0.00 -5.05 0.17 0.00 -1.01 0.00 0.00 64.21 58.32 2dk2 n SER 2 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2dk2 h SER 3 N -2.48 0.24 -1.07 6.43 4.64 -2.02 -3.37 113.55 115.93 2dk2 h SER 3 Ca -0.57 -0.12 -0.37 0.00 -0.47 0.00 0.00 61.79 60.26 2dk2 h SER 3 Cb 1.36 -0.07 -0.30 0.00 -0.31 0.00 0.00 62.40 63.08 2dk2 h SER 3 CO 0.54 0.72 -0.88 0.61 -0.87 0.00 0.00 176.83 176.96 2dk2 n GLY 4 N 0.08 2.20 2.89 -0.77 0.00 -1.26 -5.03 105.19 103.29 2dk2 n GLY 4 Ca -0.02 -0.95 -0.08 0.00 0.00 0.00 0.00 46.02 44.97 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 0.21 -7.69 -0.05 1.61 7.64 -1.26 -5.00 113.62 109.07 2dk2 n SER 5 Ca 0.15 0.72 -0.09 0.00 1.01 0.00 0.00 58.87 60.66 2dk2 n SER 5 Cb 0.70 -4.86 -0.04 0.00 -1.01 0.00 0.00 64.21 59.01 2dk2 n SER 5 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 2dk2 n SER 6 N 0.07 1.63 -3.75 6.43 7.64 -1.26 -5.05 113.62 119.33 2dk2 n SER 6 Ca 0.06 0.06 -0.13 0.00 1.01 0.00 0.00 58.87 59.87 2dk2 n SER 6 Cb 0.36 -0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 63.18 2dk2 n SER 6 CO 0.00 0.00 0.00 -0.83 -3.01 0.00 0.00 175.04 171.20 2dk2 s GLY 7 N -5.08 -0.06 0.27 0.23 0.00 -1.26 -5.08 107.32 96.34 2dk2 s GLY 7 Ca -0.13 0.71 -0.00 0.00 0.00 0.00 0.00 44.72 45.30 2dk2 s GLY 7 CO 0.19 0.97 0.47 0.99 0.00 0.00 0.00 173.10 175.72 2dk2 s ASP 8 N 1.06 6.35 0.49 1.64 1.11 -1.26 -4.94 116.67 121.12 2dk2 s ASP 8 Ca -0.08 0.42 0.28 0.00 0.18 0.00 0.00 52.55 53.35 2dk2 s ASP 8 Cb -0.10 -2.02 1.18 0.00 1.07 0.00 0.00 42.92 43.05 2dk2 s ASP 8 CO -0.06 -0.16 1.93 1.55 1.18 0.00 0.00 175.17 179.61 2dk2 h PRO 9 N 1.40 0.00 0.11 8.23 0.13 -2.01 -1.72 132.00 138.13 2dk2 h PRO 9 Ca -0.49 0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.36 2dk2 h PRO 9 Cb 1.21 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 2dk2 h PRO 9 CO 0.64 0.14 -1.21 0.93 -0.23 0.00 0.00 178.00 178.27 2dk2 h GLU 10 N 0.00 0.46 0.00 0.86 4.39 -1.98 -1.09 114.58 117.22 2dk2 h GLU 10 Ca -0.00 -0.65 -0.15 0.00 0.34 0.00 0.00 59.36 58.90 2dk2 h GLU 10 Cb 0.59 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 2dk2 h GLU 10 CO 0.02 1.28 -0.71 -0.24 -1.16 0.00 0.00 179.01 178.19 2dk2 h VAL 11 N 0.19 1.23 0.00 3.13 3.04 -1.94 -3.26 116.25 118.64 2dk2 h VAL 11 Ca -0.16 -2.72 -0.14 0.00 -1.01 0.00 0.00 66.70 62.67 2dk2 h VAL 11 Cb 1.89 2.60 -0.02 0.00 -2.01 0.00 0.00 31.29 33.74 2dk2 h VAL 11 CO 0.22 0.70 -1.08 0.24 -1.01 0.00 0.00 177.57 176.63 2dk2 h MET 12 N 0.00 0.00 0.00 4.17 2.86 -1.38 -3.31 114.93 117.27 2dk2 h MET 12 Ca -0.01 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.58 2dk2 h MET 12 Cb 1.54 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 33.19 2dk2 h MET 12 CO 0.09 0.38 -0.26 0.00 1.06 0.00 0.00 176.91 178.18 2dk2 h ALA 13 N 1.45 1.31 0.70 6.32 0.00 -1.23 -3.22 119.26 124.59 2dk2 h ALA 13 Ca -0.10 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.54 2dk2 h ALA 13 Cb 1.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.26 2dk2 h ALA 13 CO 0.05 0.32 -0.38 -0.22 0.00 0.00 0.00 179.25 179.03 2dk2 h LYS 14 N 0.00 -0.96 -6.84 0.00 3.64 -1.65 -3.43 116.57 107.33 2dk2 h LYS 14 Ca -0.00 0.07 -0.53 0.00 -1.27 0.00 0.00 60.65 58.91 2dk2 h LYS 14 Cb 0.55 0.22 0.09 0.00 -0.41 0.00 0.00 32.23 32.67 2dk2 h LYS 14 CO 0.03 -0.64 0.85 0.54 -2.27 0.00 0.00 179.45 177.96 2dk2 s VAL 15 N -5.27 2.11 0.00 2.00 0.11 -1.22 -4.91 120.40 113.22 2dk2 s VAL 15 Ca -0.15 0.10 0.14 0.00 -2.93 0.00 0.00 61.98 59.14 2dk2 s VAL 15 Cb 0.02 -3.06 0.24 0.00 -1.53 0.00 0.00 36.38 32.04 2dk2 s VAL 15 CO 0.46 0.02 1.09 2.29 -3.33 0.00 0.00 175.10 175.63 2dk2 n LYS 16 N 1.70 0.00 -4.05 1.54 2.85 -1.26 -4.83 118.16 114.10 2dk2 n LYS 16 Ca 0.06 -1.54 -0.31 0.00 -1.05 0.00 0.00 58.31 55.46 2dk2 n LYS 16 Cb 0.38 -0.21 -0.16 0.00 -0.65 0.00 0.00 35.03 34.39 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 0.00 1.80 -0.16 0.58 1.01 -1.26 -4.20 120.40 118.16 2dk2 s VAL 17 Ca 0.19 -0.89 -0.20 0.00 0.00 0.00 0.00 61.98 61.08 2dk2 s VAL 17 Cb 0.21 -1.72 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 2dk2 s VAL 17 CO -0.09 0.40 0.57 -0.76 0.00 0.00 0.00 175.10 175.21 2dk2 s LEU 18 N 1.37 4.20 -0.64 3.92 1.43 -1.26 -2.90 118.68 124.80 2dk2 s LEU 18 Ca 0.03 0.83 -0.19 0.00 -1.03 0.00 0.00 54.13 53.76 2dk2 s LEU 18 Cb -0.14 -2.82 0.11 0.00 0.03 0.00 0.00 46.19 43.37 2dk2 s LEU 18 CO -0.11 -0.16 0.78 0.12 0.23 0.00 0.00 176.35 177.21 2dk2 s PHE 19 N 1.39 3.00 -0.39 0.29 5.36 -0.17 -4.22 117.98 123.24 2dk2 s PHE 19 Ca 0.28 -0.99 -0.21 0.00 -0.96 0.00 0.00 56.93 55.04 2dk2 s PHE 19 Cb -0.16 -4.07 0.01 0.00 -0.34 0.00 0.00 43.02 38.46 2dk2 s PHE 19 CO 0.11 -1.35 0.67 0.08 -1.46 0.00 0.00 175.22 173.27 2dk2 s VAL 20 N 2.76 4.83 0.42 3.12 1.01 -1.24 -1.16 120.40 130.13 2dk2 s VAL 20 Ca 0.15 0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.68 2dk2 s VAL 20 Cb -0.21 -4.15 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 2dk2 s VAL 20 CO 0.05 -0.45 0.42 -0.13 0.00 0.00 0.00 175.10 174.99 2dk2 s ARG 21 N 2.85 2.60 -0.71 2.72 0.52 -0.07 -1.11 118.95 125.75 2dk2 s ARG 21 Ca 0.25 -1.47 -0.03 0.00 -0.52 0.00 0.00 55.73 53.96 2dk2 s ARG 21 Cb -0.14 -2.46 0.00 0.00 0.52 0.00 0.00 34.95 32.87 2dk2 s ARG 21 CO 0.17 -0.21 0.67 0.09 0.02 0.00 0.00 175.30 176.04 2dk2 n ASN 22 N -1.62 -7.20 -4.99 0.23 3.02 -1.17 -1.49 115.26 102.05 2dk2 n ASN 22 Ca 0.05 -0.16 -0.21 0.00 -0.03 0.00 0.00 54.58 54.22 2dk2 n ASN 22 Cb 0.61 -4.52 0.03 0.00 -0.61 0.00 0.00 39.78 35.29 2dk2 n ASN 22 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2dk2 s LEU 23 N -3.95 3.06 0.03 3.41 1.02 -0.49 -4.01 118.68 117.76 2dk2 s LEU 23 Ca 0.05 -0.91 0.01 0.00 0.02 0.00 0.00 54.13 53.30 2dk2 s LEU 23 Cb -0.01 -1.63 -0.04 0.00 0.02 0.00 0.00 46.19 44.53 2dk2 s LEU 23 CO 0.78 -1.18 0.08 0.00 0.02 0.00 0.00 176.35 176.06 2dk2 s ALA 24 N -2.65 3.58 -0.15 4.21 0.00 -1.26 -5.01 121.76 120.47 2dk2 s ALA 24 Ca 0.53 -0.93 0.16 0.00 0.00 0.00 0.00 51.96 51.72 2dk2 s ALA 24 Cb -0.05 -1.52 -0.03 0.00 0.00 0.00 0.00 23.12 21.53 2dk2 s ALA 24 CO 0.33 0.72 1.14 1.15 0.00 0.00 0.00 175.76 179.10 2dk2 h THR 25 N 2.92 0.62 0.00 0.00 2.02 -1.99 -3.30 112.91 113.18 2dk2 h THR 25 Ca -0.48 -2.01 -0.13 0.00 0.77 0.00 0.00 66.41 64.56 2dk2 h THR 25 Cb 1.17 2.17 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 2dk2 h THR 25 CO 0.64 0.36 -0.64 0.71 0.37 0.00 0.00 175.52 176.96 2dk2 h THR 26 N 0.00 1.43 -4.31 3.16 1.35 -1.99 -3.45 112.91 109.12 2dk2 h THR 26 Ca -0.07 -2.21 -0.50 0.00 -0.55 0.00 0.00 66.41 63.08 2dk2 h THR 26 Cb 1.44 2.20 0.11 0.00 -1.73 0.00 0.00 68.15 70.17 2dk2 h THR 26 CO 0.05 0.63 0.35 0.68 -0.25 0.00 0.00 175.52 176.97 2dk2 s VAL 27 N -3.52 3.55 0.27 6.82 -7.23 -1.25 -5.08 120.40 113.96 2dk2 s VAL 27 Ca -0.01 0.50 0.07 0.00 -1.81 0.00 0.00 61.98 60.74 2dk2 s VAL 27 Cb 0.12 -3.21 -0.06 0.00 0.56 0.00 0.00 36.38 33.79 2dk2 s VAL 27 CO 0.76 -0.66 -0.08 0.28 -0.31 0.00 0.00 175.10 175.09 2dk2 s THR 28 N -3.07 1.72 0.58 5.32 -1.32 -1.26 -4.98 115.64 112.63 2dk2 s THR 28 Ca 0.60 -2.16 0.28 0.00 -1.21 0.00 0.00 61.69 59.20 2dk2 s THR 28 Cb -0.15 -2.38 0.37 0.00 -1.51 0.00 0.00 72.50 68.83 2dk2 s THR 28 CO 0.55 -0.35 2.04 -0.33 -2.21 0.00 0.00 174.62 174.32 2dk2 h GLU 29 N 2.32 0.00 -0.46 7.08 5.08 -1.98 0.14 114.58 126.77 2dk2 h GLU 29 Ca -0.40 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.85 2dk2 h GLU 29 Cb 1.23 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 2dk2 h GLU 29 CO 0.66 0.00 -0.17 0.93 -1.00 0.00 0.00 179.01 179.43 2dk2 h GLU 30 N 0.00 0.89 0.20 2.33 5.08 -1.99 -2.12 114.58 118.96 2dk2 h GLU 30 Ca 0.13 -0.34 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 2dk2 h GLU 30 Cb 0.69 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2dk2 h GLU 30 CO -0.00 0.99 -0.09 0.82 -1.00 0.00 0.00 179.01 179.72 2dk2 h ILE 31 N 0.78 0.86 -0.58 3.13 2.04 -1.38 -2.98 117.51 119.38 2dk2 h ILE 31 Ca 0.11 -0.92 0.14 0.00 1.00 0.00 0.00 64.86 65.20 2dk2 h ILE 31 Cb 0.71 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 38.11 2dk2 h ILE 31 CO 0.05 0.19 0.41 -0.07 0.00 0.00 0.00 178.15 178.73 2dk2 h LEU 32 N -0.77 0.14 -1.16 1.44 3.38 -1.52 0.32 115.31 117.14 2dk2 h LEU 32 Ca -0.03 0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2dk2 h LEU 32 Cb 0.51 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.23 2dk2 h LEU 32 CO 0.04 0.08 -0.34 -0.33 0.09 0.00 0.00 178.44 177.98 2dk2 h GLU 33 N 0.15 0.00 0.00 1.13 5.08 -1.33 -2.91 114.58 116.70 2dk2 h GLU 33 Ca 0.28 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.46 2dk2 h GLU 33 Cb 0.90 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 2dk2 h GLU 33 CO -0.04 0.34 -1.57 1.63 -1.00 0.00 0.00 179.01 178.37 2dk2 n LYS 34 N -3.68 0.63 -0.02 2.33 5.02 0.84 -2.39 118.16 120.89 2dk2 n LYS 34 Ca -0.01 0.16 -0.04 0.00 -2.02 0.00 0.00 58.31 56.41 2dk2 n LYS 34 Cb 0.45 -1.75 0.19 0.00 -0.02 0.00 0.00 35.03 33.90 2dk2 n LYS 34 CO 0.00 0.00 0.00 0.77 -0.52 0.00 0.00 177.40 177.65 2dk2 h SER 35 N 0.00 0.57 0.23 4.39 0.02 -0.62 -3.07 113.55 115.07 2dk2 h SER 35 Ca -0.19 -0.17 -0.34 0.00 -0.84 0.00 0.00 61.79 60.25 2dk2 h SER 35 Cb 1.61 -0.15 -0.05 0.00 0.14 0.00 0.00 62.40 63.95 2dk2 h SER 35 CO 0.04 0.76 -2.05 0.49 -1.14 0.00 0.00 176.83 174.93 2dk2 n PHE 36 N -4.16 0.62 -0.02 3.45 3.72 -1.11 -4.16 117.46 115.81 2dk2 n PHE 36 Ca 0.00 0.20 0.22 0.00 -0.05 0.00 0.00 57.45 57.82 2dk2 n PHE 36 Cb 0.37 -1.11 0.72 0.00 -0.94 0.00 0.00 39.48 38.52 2dk2 n PHE 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dk2 h SER 37 N 0.01 0.00 -0.07 4.37 0.87 -1.45 0.24 113.55 117.51 2dk2 h SER 37 Ca -0.42 0.00 0.02 0.00 -1.23 0.00 0.00 61.79 60.16 2dk2 h SER 37 Cb 2.08 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.04 2dk2 h SER 37 CO 0.05 0.00 0.08 -0.33 -0.53 0.00 0.00 176.83 176.09 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.70 -2.86 114.58 117.34 2dk2 h GLU 38 Ca 0.28 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.45 2dk2 h GLU 38 Cb 1.18 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.40 2dk2 h GLU 38 CO -0.00 0.00 -1.07 0.74 -1.00 0.00 0.00 179.01 177.67 2dk2 h PHE 39 N 0.00 0.00 -2.45 4.33 0.04 -0.79 -3.50 116.94 114.58 2dk2 h PHE 39 Ca 0.03 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 60.76 2dk2 h PHE 39 Cb 0.19 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.17 2dk2 h PHE 39 CO 0.00 1.31 0.18 0.20 -0.60 0.00 0.00 178.31 179.39 2dk2 s GLY 40 N -4.73 -0.57 -0.53 -1.45 0.00 -1.08 -5.02 107.32 93.93 2dk2 s GLY 40 Ca -0.26 0.94 -0.31 0.00 0.00 0.00 0.00 44.72 45.09 2dk2 s GLY 40 CO 0.56 0.60 2.38 0.28 0.00 0.00 0.00 173.10 176.92 2dk2 n LYS 41 N 0.40 0.88 -0.82 2.90 4.76 -1.26 -4.16 118.16 120.85 2dk2 n LYS 41 Ca -0.18 0.14 -0.30 0.00 -2.87 0.00 0.00 58.31 55.09 2dk2 n LYS 41 Cb 0.60 -2.63 0.17 0.00 -1.84 0.00 0.00 35.03 31.33 2dk2 n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dk2 s LEU 42 N 9.45 2.27 -0.22 -0.35 1.43 -1.26 -3.87 118.68 126.13 2dk2 s LEU 42 Ca 1.11 1.85 -0.06 0.00 -1.03 0.00 0.00 54.13 56.00 2dk2 s LEU 42 Cb -0.68 -4.16 -0.11 0.00 0.03 0.00 0.00 46.19 41.26 2dk2 s LEU 42 CO 0.40 -3.16 -0.25 1.21 0.23 0.00 0.00 176.35 174.79 2dk2 n GLU 43 N -4.25 0.49 -3.65 1.70 0.00 0.76 -4.79 120.64 110.90 2dk2 n GLU 43 Ca 0.08 0.17 -0.02 0.00 0.00 0.00 0.00 57.16 57.39 2dk2 n GLU 43 Cb 0.53 -1.34 -0.07 0.00 0.00 0.00 0.00 31.44 30.57 2dk2 n GLU 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.13 177.63 2dk2 s ARG 44 N -2.41 0.03 0.10 5.31 3.52 -1.23 -4.94 118.95 119.33 2dk2 s ARG 44 Ca -0.30 0.03 0.08 0.00 -0.13 0.00 0.00 55.73 55.42 2dk2 s ARG 44 Cb 0.10 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.47 2dk2 s ARG 44 CO 0.42 -0.00 -0.22 0.08 -0.81 0.00 0.00 175.30 174.77 2dk2 s VAL 45 N -0.09 1.79 -0.05 7.11 1.01 -1.26 -0.61 120.40 128.29 2dk2 s VAL 45 Ca 0.08 -1.53 -0.04 0.00 0.00 0.00 0.00 61.98 60.49 2dk2 s VAL 45 Cb -0.05 -1.61 0.02 0.00 0.00 0.00 0.00 36.38 34.74 2dk2 s VAL 45 CO -0.16 0.00 0.14 -0.75 0.00 0.00 0.00 175.10 174.33 2dk2 s LYS 46 N -1.82 0.14 -0.62 2.72 2.47 -0.33 -4.98 119.74 117.31 2dk2 s LYS 46 Ca 0.08 0.23 -0.22 0.00 -1.56 0.00 0.00 55.97 54.50 2dk2 s LYS 46 Cb -0.10 0.01 0.07 0.00 -1.46 0.00 0.00 37.83 36.36 2dk2 s LYS 46 CO 0.04 -0.06 0.88 0.21 0.16 0.00 0.00 175.35 176.59 2dk2 s LYS 47 N 0.35 3.12 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.59 2dk2 s LYS 47 Ca -0.02 -0.89 0.01 0.00 -0.36 0.00 0.00 55.97 54.71 2dk2 s LYS 47 Cb -0.04 -4.21 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.01 -1.68 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.73 2dk2 s LEU 48 N 3.64 2.59 0.00 5.43 2.01 -1.14 -5.03 118.68 126.19 2dk2 s LEU 48 Ca 0.20 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 53.18 2dk2 s LEU 48 Cb -0.18 -1.20 0.00 0.00 0.01 0.00 0.00 46.19 44.82 2dk2 s LEU 48 CO 0.10 -0.23 0.00 0.29 1.01 0.00 0.00 176.35 177.53 2dk2 n LYS 49 N 4.66 0.00 0.20 1.70 4.76 -1.26 -2.89 118.16 125.33 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.46 2dk2 n LYS 49 Cb 0.44 0.00 0.72 0.00 -1.84 0.00 0.00 35.03 34.36 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 -2.47 -1.59 -3.95 4.55 0.18 -1.14 -1.40 117.16 111.34 2dk2 n TYR 51 Ca -0.01 -1.09 -0.08 0.00 1.88 0.00 0.00 57.90 58.59 2dk2 n TYR 51 Cb 0.07 -0.23 -0.09 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 -2.37 0.04 -0.29 -3.48 0.00 -0.27 -2.87 121.76 112.52 2dk2 s ALA 52 Ca 0.20 -0.78 0.02 0.00 0.00 0.00 0.00 51.96 51.39 2dk2 s ALA 52 Cb -0.02 0.36 0.07 0.00 0.00 0.00 0.00 23.12 23.54 2dk2 s ALA 52 CO 0.13 -0.42 -0.04 -0.06 0.00 0.00 0.00 175.76 175.37 2dk2 s PHE 53 N -3.60 3.40 0.01 0.00 0.08 -0.46 -3.64 117.98 113.77 2dk2 s PHE 53 Ca 0.03 -2.39 0.06 0.00 0.12 0.00 0.00 56.93 54.75 2dk2 s PHE 53 Cb 0.05 -2.26 -0.03 0.00 -0.57 0.00 0.00 43.02 40.21 2dk2 s PHE 53 CO -0.09 -0.89 -0.16 0.08 -0.10 0.00 0.00 175.22 174.06 2dk2 s VAL 54 N 1.09 2.90 0.16 -0.44 1.01 -1.26 -1.19 120.40 122.67 2dk2 s VAL 54 Ca -0.03 -1.03 0.09 0.00 0.00 0.00 0.00 61.98 61.01 2dk2 s VAL 54 Cb -0.20 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2dk2 s VAL 54 CO -0.05 0.41 -0.15 -1.00 0.00 0.00 0.00 175.10 174.32 2dk2 s HIS 55 N -0.87 2.54 0.15 5.22 3.76 0.22 -4.01 115.29 122.29 2dk2 s HIS 55 Ca 0.14 -0.26 0.08 0.00 -0.15 0.00 0.00 55.06 54.87 2dk2 s HIS 55 Cb -0.11 -1.28 -0.04 0.00 1.11 0.00 0.00 32.58 32.27 2dk2 s HIS 55 CO 0.04 0.47 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.17 2dk2 s PHE 56 N -1.54 1.69 0.57 1.40 0.40 -1.26 -0.17 117.98 119.07 2dk2 s PHE 56 Ca 0.22 -0.49 0.27 0.00 -0.60 0.00 0.00 56.93 56.33 2dk2 s PHE 56 Cb -0.09 -0.86 1.53 0.00 0.51 0.00 0.00 43.02 44.10 2dk2 s PHE 56 CO 0.13 0.26 2.02 0.93 0.70 0.00 0.00 175.22 179.26 2dk2 h GLU 57 N 3.41 0.00 0.00 0.44 4.39 -1.87 -3.45 114.58 117.50 2dk2 h GLU 57 Ca -0.42 0.00 -0.00 0.00 0.34 0.00 0.00 59.36 59.28 2dk2 h GLU 57 Cb 1.20 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.85 2dk2 h GLU 57 CO 0.50 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.88 2dk2 n ASP 58 N -3.96 -0.05 0.01 1.42 2.03 -1.26 -5.07 116.55 109.67 2dk2 n ASP 58 Ca 0.05 -1.04 -0.18 0.00 0.52 0.00 0.00 54.79 54.15 2dk2 n ASP 58 Cb 0.49 0.09 -0.13 0.00 -0.72 0.00 0.00 41.12 40.84 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 0.23 -0.45 -0.67 1.12 -1.86 -3.30 114.38 109.46 2dk2 h ARG 59 Ca -0.01 -0.34 0.09 0.00 -1.11 0.00 0.00 59.98 58.61 2dk2 h ARG 59 Cb 0.03 0.12 -0.08 0.00 -0.01 0.00 0.00 29.97 30.03 2dk2 h ARG 59 CO 0.01 1.12 -0.03 0.78 -3.11 0.00 0.00 179.97 178.74 2dk2 h GLY 60 N -0.48 0.41 1.56 2.80 0.00 -1.94 0.20 103.07 105.62 2dk2 h GLY 60 Ca -0.09 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.37 2dk2 h GLY 60 CO 0.10 -0.14 0.18 0.00 0.00 0.00 0.00 176.54 176.68 2dk2 h ALA 61 N 1.41 1.77 0.04 3.60 0.00 -1.98 0.15 119.26 124.25 2dk2 h ALA 61 Ca 0.22 -0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.96 2dk2 h ALA 61 Cb 0.33 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 2dk2 h ALA 61 CO -0.40 -0.26 -0.87 0.00 0.00 0.00 0.00 179.25 177.73 2dk2 h ALA 62 N 1.80 0.13 0.46 0.00 0.00 -0.81 -3.22 119.26 117.61 2dk2 h ALA 62 Ca 0.07 -0.91 -0.02 0.00 0.00 0.00 0.00 54.91 54.05 2dk2 h ALA 62 Cb 0.43 0.38 0.00 0.00 0.00 0.00 0.00 17.79 18.60 2dk2 h ALA 62 CO -0.00 0.49 -0.22 0.28 0.00 0.00 0.00 179.25 179.80 2dk2 h VAL 63 N -0.75 0.51 -0.50 0.00 2.07 -0.25 0.65 116.25 117.98 2dk2 h VAL 63 Ca -0.21 -0.31 0.15 0.00 0.82 0.00 0.00 66.70 67.15 2dk2 h VAL 63 Cb 1.37 0.65 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 2dk2 h VAL 63 CO -0.04 0.05 0.42 0.50 0.02 0.00 0.00 177.57 178.53 2dk2 h LYS 64 N -0.81 0.00 0.00 1.57 3.11 -0.93 0.14 116.57 119.66 2dk2 h LYS 64 Ca -0.06 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.78 2dk2 h LYS 64 Cb 0.56 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.79 2dk2 h LYS 64 CO 0.10 0.00 -0.00 0.00 -2.81 0.00 0.00 179.45 176.74 2dk2 h ALA 65 N 1.63 -0.00 -0.58 5.00 0.00 -1.49 -3.34 119.26 120.48 2dk2 h ALA 65 Ca 0.24 -0.00 0.17 0.00 0.00 0.00 0.00 54.91 55.31 2dk2 h ALA 65 Cb 1.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.85 2dk2 h ALA 65 CO -0.00 -0.00 0.44 1.98 0.00 0.00 0.00 179.25 181.67 2dk2 h MET 66 N -0.87 0.00 -0.47 0.00 1.85 -0.54 0.21 114.93 115.11 2dk2 h MET 66 Ca -0.00 0.00 0.09 0.00 -0.61 0.00 0.00 59.70 59.18 2dk2 h MET 66 Cb 0.00 0.00 -0.08 0.00 0.43 0.00 0.00 31.60 31.95 2dk2 h MET 66 CO 0.00 0.00 0.01 -0.44 -0.40 0.00 0.00 176.91 176.08 2dk2 h ASP 67 N 0.00 -0.19 0.07 1.39 5.19 -0.83 0.13 116.42 122.18 2dk2 h ASP 67 Ca 0.27 0.11 -0.35 0.00 -0.62 0.00 0.00 57.03 56.45 2dk2 h ASP 67 Cb 1.15 0.19 -0.03 0.00 0.18 0.00 0.00 39.33 40.82 2dk2 h ASP 67 CO -0.00 -0.06 -1.95 -0.62 -3.12 0.00 0.00 179.24 173.49 2dk2 n GLU 68 N -5.21 0.69 -0.35 3.56 -0.58 -0.53 -4.25 120.64 113.97 2dk2 n GLU 68 Ca 0.05 0.31 0.12 0.00 -0.42 0.00 0.00 57.16 57.22 2dk2 n GLU 68 Cb 0.25 -1.67 0.32 0.00 -0.57 0.00 0.00 31.44 29.77 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 -0.25 0.76 -5.99 3.49 2.86 -0.60 -3.40 114.93 111.81 2dk2 h MET 69 Ca -0.45 -0.05 -0.63 0.00 -2.06 0.00 0.00 59.70 56.51 2dk2 h MET 69 Cb 1.83 -0.17 -0.01 0.00 0.06 0.00 0.00 31.60 33.31 2dk2 h MET 69 CO -0.04 0.50 1.46 -1.71 1.06 0.00 0.00 176.91 178.18 2dk2 n ASN 70 N -4.72 2.70 -0.22 1.22 4.05 0.44 -1.91 115.26 116.83 2dk2 n ASN 70 Ca 0.22 0.30 0.00 0.00 0.45 0.00 0.00 54.58 55.56 2dk2 n ASN 70 Cb 0.54 -1.41 0.00 0.00 1.23 0.00 0.00 39.78 40.14 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 2dk2 n GLY 71 N 6.16 0.88 3.79 8.20 0.00 -1.26 -5.00 105.19 117.96 2dk2 n GLY 71 Ca 0.36 -0.23 -0.23 0.00 0.00 0.00 0.00 46.02 45.91 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 -1.58 2.33 -0.32 1.61 -0.14 -0.80 -5.06 119.74 115.77 2dk2 s LYS 72 Ca 0.00 -1.75 0.03 0.00 -1.36 0.00 0.00 55.97 52.89 2dk2 s LYS 72 Cb 0.00 -2.12 0.09 0.00 -1.68 0.00 0.00 37.83 34.12 2dk2 s LYS 72 CO 0.00 -0.17 0.02 -2.00 -0.76 0.00 0.00 175.35 172.44 2dk2 s GLU 73 N -4.00 1.73 -0.19 1.68 2.12 -1.26 -3.30 118.70 115.48 2dk2 s GLU 73 Ca 0.43 -1.72 -0.06 0.00 0.36 0.00 0.00 54.97 53.98 2dk2 s GLU 73 Cb 0.01 -3.15 -0.03 0.00 0.26 0.00 0.00 34.13 31.22 2dk2 s GLU 73 CO 0.24 -0.84 0.02 0.42 -0.54 0.00 0.00 175.26 174.56 2dk2 s ILE 74 N 0.97 4.24 -1.48 -3.70 1.01 -1.13 -4.48 121.20 116.64 2dk2 s ILE 74 Ca 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 60.65 60.42 2dk2 s ILE 74 Cb -0.19 -2.91 0.03 0.00 0.01 0.00 0.00 42.46 39.39 2dk2 s ILE 74 CO -0.07 0.44 0.59 1.21 0.00 0.00 0.00 174.94 177.11 2dk2 n GLU 75 N 3.92 -4.55 -1.63 2.79 0.00 -1.26 -0.74 120.64 119.17 2dk2 n GLU 75 Ca -0.17 0.78 -0.20 0.00 0.00 0.00 0.00 57.16 57.58 2dk2 n GLU 75 Cb 0.52 -5.61 -0.08 0.00 0.00 0.00 0.00 31.44 26.27 2dk2 n GLU 75 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2dk2 n GLY 76 N -1.44 1.72 3.24 8.31 0.00 -1.26 -4.97 105.19 110.79 2dk2 n GLY 76 Ca -0.08 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.54 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 -3.75 3.04 -0.39 1.61 0.41 0.08 -5.07 118.70 114.63 2dk2 s GLU 77 Ca 0.00 -0.86 -0.27 0.00 -0.41 0.00 0.00 54.97 53.43 2dk2 s GLU 77 Cb 0.00 -2.32 -0.04 0.00 -1.78 0.00 0.00 34.13 29.98 2dk2 s GLU 77 CO 0.00 0.20 2.12 -1.21 -0.49 0.00 0.00 175.26 175.88 2dk2 s GLU 78 N 0.30 2.78 0.12 1.61 2.02 -1.26 -2.83 118.70 121.43 2dk2 s GLU 78 Ca -0.17 1.46 -0.04 0.00 0.02 0.00 0.00 54.97 56.25 2dk2 s GLU 78 Cb -0.17 -4.40 -0.05 0.00 0.10 0.00 0.00 34.13 29.60 2dk2 s GLU 78 CO 0.08 -2.51 0.34 0.96 0.02 0.00 0.00 175.26 174.14 2dk2 s ILE 79 N 9.30 5.22 0.15 -1.63 -4.36 -1.21 -4.76 121.20 123.92 2dk2 s ILE 79 Ca 0.89 -0.07 0.07 0.00 -0.26 0.00 0.00 60.65 61.28 2dk2 s ILE 79 Cb -0.22 -3.62 -0.04 0.00 1.25 0.00 0.00 42.46 39.82 2dk2 s ILE 79 CO 0.30 0.06 -0.15 -0.70 0.24 0.00 0.00 174.94 174.69 2dk2 s GLU 80 N -2.62 1.16 -0.04 0.37 2.12 -0.56 -4.26 118.70 114.87 2dk2 s GLU 80 Ca 0.40 -1.38 -0.02 0.00 0.36 0.00 0.00 54.97 54.33 2dk2 s GLU 80 Cb -0.12 -1.03 0.02 0.00 0.26 0.00 0.00 34.13 33.26 2dk2 s GLU 80 CO 0.25 0.19 0.09 0.42 -0.54 0.00 0.00 175.26 175.67 2dk2 s ILE 81 N -2.41 -0.03 0.01 -3.70 1.01 -1.26 -0.89 121.20 113.93 2dk2 s ILE 81 Ca 0.14 0.10 -0.05 0.00 0.00 0.00 0.00 60.65 60.85 2dk2 s ILE 81 Cb -0.03 -0.15 -0.01 0.00 0.01 0.00 0.00 42.46 42.28 2dk2 s ILE 81 CO 0.04 0.04 0.09 0.68 0.00 0.00 0.00 174.94 175.79 2dk2 s VAL 82 N 0.62 0.09 -0.20 2.92 -7.23 -0.31 -4.95 120.40 111.34 2dk2 s VAL 82 Ca -0.05 -0.75 -0.29 0.00 -1.81 0.00 0.00 61.98 59.08 2dk2 s VAL 82 Cb -0.07 -0.38 -0.03 0.00 0.56 0.00 0.00 36.38 36.46 2dk2 s VAL 82 CO -0.02 -0.41 1.73 -0.76 -0.31 0.00 0.00 175.10 175.32 2dk2 s LEU 83 N -1.39 3.88 -0.60 1.32 1.43 -1.26 -1.00 118.68 121.06 2dk2 s LEU 83 Ca -0.15 1.74 -0.27 0.00 -1.03 0.00 0.00 54.13 54.42 2dk2 s LEU 83 Cb -0.08 -3.53 -0.00 0.00 0.03 0.00 0.00 46.19 42.61 2dk2 s LEU 83 CO 0.01 -1.34 1.61 0.00 0.23 0.00 0.00 176.35 176.86 2dk2 s ALA 84 N 5.55 2.53 0.16 4.21 0.00 -1.14 -4.89 121.76 128.18 2dk2 s ALA 84 Ca 0.77 -0.73 -0.04 0.00 0.00 0.00 0.00 51.96 51.96 2dk2 s ALA 84 Cb -0.27 -4.21 -0.05 0.00 0.00 0.00 0.00 23.12 18.58 2dk2 s ALA 84 CO 0.31 -3.40 0.39 -1.59 0.00 0.00 0.00 175.76 171.47 2dk2 s LYS 85 N 6.23 3.60 0.96 0.00 0.00 -1.26 -4.79 119.74 124.47 2dk2 s LYS 85 Ca 0.57 -0.14 -0.12 0.00 0.00 0.00 0.00 55.97 56.29 2dk2 s LYS 85 Cb -0.12 -2.83 0.17 0.00 0.00 0.00 0.00 37.83 35.04 2dk2 s LYS 85 CO 0.22 0.44 1.09 -1.25 0.00 0.00 0.00 175.35 175.85 2dk2 s PRO 86 N -2.84 0.71 0.28 1.78 0.04 -1.26 -4.99 135.00 128.72 2dk2 s PRO 86 Ca 0.41 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.79 2dk2 s PRO 86 Cb -0.12 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.56 2dk2 s PRO 86 CO 0.26 -2.57 1.24 -1.25 0.04 0.00 0.00 177.00 174.73 2dk2 s PRO 87 N -4.95 4.45 0.00 0.56 0.04 -1.26 -4.84 135.00 129.00 2dk2 s PRO 87 Ca 0.65 2.05 0.00 0.00 0.04 0.00 0.00 61.00 63.74 2dk2 s PRO 87 Cb -0.18 -3.14 0.00 0.00 0.04 0.00 0.00 34.50 31.22 2dk2 s PRO 87 CO 0.57 -0.09 0.00 -3.47 0.04 0.00 0.00 177.00 174.06 2dk2 n ASP 88 N 1.39 0.00 -1.29 6.66 2.03 -1.26 -5.17 116.55 118.91 2dk2 n ASP 88 Ca 0.01 0.00 0.17 0.00 0.52 0.00 0.00 54.79 55.50 2dk2 n ASP 88 Cb 0.43 0.36 -0.05 0.00 -0.72 0.00 0.00 41.12 41.14 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 -2.10 -2.65 -0.04 -0.67 5.02 -1.26 -4.63 118.16 111.83 2dk2 n LYS 89 Ca 0.00 1.81 -0.02 0.00 -2.02 0.00 0.00 58.31 58.08 2dk2 n LYS 89 Cb 0.00 -3.21 -0.14 0.00 -0.02 0.00 0.00 35.03 31.66 2dk2 n LYS 89 CO 0.00 0.00 0.00 0.36 -0.52 0.00 0.00 177.40 177.24 2dk2 n LYS 90 N -3.95 0.66 -1.28 1.97 2.85 -1.26 -5.09 118.16 112.06 2dk2 n LYS 90 Ca -0.00 0.02 0.17 0.00 -1.05 0.00 0.00 58.31 57.45 2dk2 n LYS 90 Cb 0.59 -1.61 -0.04 0.00 -0.65 0.00 0.00 35.03 33.31 2dk2 n LYS 90 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2dk2 n ARG 91 N -2.68 -2.58 -1.18 -1.58 3.00 -1.26 -4.99 116.66 105.39 2dk2 n ARG 91 Ca -0.19 1.70 0.16 0.00 -0.00 0.00 0.00 57.85 59.52 2dk2 n ARG 91 Cb 0.92 -3.15 -0.04 0.00 0.00 0.00 0.00 32.46 30.19 2dk2 n ARG 91 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.63 178.08 2dk2 n SER 92 N -3.95 -7.40 0.00 6.15 2.88 -1.26 -5.06 113.62 104.98 2dk2 n SER 92 Ca 0.01 1.27 0.00 0.00 -1.33 0.00 0.00 58.87 58.81 2dk2 n SER 92 Cb 0.58 -3.62 0.00 0.00 -0.75 0.00 0.00 64.21 60.43 2dk2 n SER 92 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2dk2 n GLY 93 N -3.51 3.65 3.77 0.46 0.00 -1.26 -5.11 105.19 103.19 2dk2 n GLY 93 Ca 0.01 -1.65 -0.40 0.00 0.00 0.00 0.00 46.02 43.98 2dk2 n GLY 93 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2dk2 s PRO 94 N -2.38 4.32 -0.35 1.61 0.04 -1.26 -5.02 135.00 131.97 2dk2 s PRO 94 Ca 0.00 2.00 -0.02 0.00 0.04 0.00 0.00 61.00 63.02 2dk2 s PRO 94 Cb 0.00 -2.97 0.08 0.00 0.04 0.00 0.00 34.50 31.65 2dk2 s PRO 94 CO 0.00 -0.14 0.09 -1.54 0.04 0.00 0.00 177.00 175.46 2dk2 s SER 95 N -0.79 5.05 -0.05 6.66 1.04 -1.26 -4.85 113.70 119.50 2dk2 s SER 95 Ca 0.50 -1.66 0.02 0.00 0.48 0.00 0.00 55.95 55.30 2dk2 s SER 95 Cb -0.35 -1.76 0.06 0.00 0.10 0.00 0.00 66.02 64.07 2dk2 s SER 95 CO 0.45 -0.39 1.08 -0.24 0.98 0.00 0.00 173.24 175.12 2dk2 n SER 96 N 4.59 -1.04 0.00 7.02 2.88 -1.26 -5.36 113.62 120.44 2dk2 n SER 96 Ca -0.07 -2.03 0.00 0.00 -1.33 0.00 0.00 58.87 55.44 2dk2 n SER 96 Cb 0.42 0.35 0.00 0.00 -0.75 0.00 0.00 64.21 64.23 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42