#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 -3.99 -3.88 1.61 7.64 -1.26 -4.98 113.62 108.76 2dk2 n SER 2 Ca 0.00 -0.67 0.04 0.00 1.01 0.00 0.00 58.87 59.25 2dk2 n SER 2 Cb 0.00 -5.09 0.01 0.00 -1.01 0.00 0.00 64.21 58.12 2dk2 n SER 2 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 2dk2 s SER 3 N -3.94 -0.00 -0.28 6.43 0.15 -1.26 -5.18 113.70 109.62 2dk2 s SER 3 Ca 0.20 -0.05 -0.21 0.00 0.70 0.00 0.00 55.95 56.60 2dk2 s SER 3 Cb -0.03 0.04 0.09 0.00 -1.71 0.00 0.00 66.02 64.41 2dk2 s SER 3 CO 0.74 -0.07 0.79 -0.83 1.20 0.00 0.00 173.24 175.07 2dk2 s GLY 4 N -3.71 -0.44 -1.15 9.45 0.00 -1.26 -4.96 107.32 105.26 2dk2 s GLY 4 Ca 0.28 2.42 -0.05 0.00 0.00 0.00 0.00 44.72 47.37 2dk2 s GLY 4 CO -0.03 2.10 0.99 1.44 0.00 0.00 0.00 173.10 177.60 2dk2 n SER 5 N 3.32 -4.30 -4.80 1.64 7.64 -1.26 -4.98 113.62 110.87 2dk2 n SER 5 Ca -0.16 -0.51 -0.39 0.00 1.01 0.00 0.00 58.87 58.82 2dk2 n SER 5 Cb 0.57 -4.57 -0.06 0.00 -1.01 0.00 0.00 64.21 59.14 2dk2 n SER 5 CO 0.00 0.00 0.00 -0.44 -3.01 0.00 0.00 175.04 171.59 2dk2 s SER 6 N -3.67 7.13 0.00 6.43 0.01 -1.26 -4.97 113.70 117.37 2dk2 s SER 6 Ca 0.31 1.34 0.00 0.00 1.31 0.00 0.00 55.95 58.91 2dk2 s SER 6 Cb -0.13 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.71 2dk2 s SER 6 CO 0.65 0.25 0.00 0.61 0.41 0.00 0.00 173.24 175.16 2dk2 n GLY 7 N 1.72 0.96 3.92 3.44 0.00 -1.26 -4.99 105.19 108.98 2dk2 n GLY 7 Ca -0.09 -2.08 -0.27 0.00 0.00 0.00 0.00 46.02 43.58 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 -0.38 6.37 0.09 1.61 1.11 -1.26 -5.02 116.67 119.18 2dk2 s ASP 8 Ca 0.00 0.67 -0.16 0.00 0.18 0.00 0.00 52.55 53.25 2dk2 s ASP 8 Cb 0.00 -2.13 -0.09 0.00 1.07 0.00 0.00 42.92 41.77 2dk2 s ASP 8 CO 0.00 -0.29 1.41 1.55 1.18 0.00 0.00 175.17 179.02 2dk2 h PRO 9 N 1.15 0.64 -0.97 8.23 0.13 -2.00 -3.17 132.00 136.01 2dk2 h PRO 9 Ca -0.48 -0.34 0.09 0.00 -0.87 0.00 0.00 66.00 64.40 2dk2 h PRO 9 Cb 1.20 0.01 -0.07 0.00 0.13 0.00 0.00 31.00 32.27 2dk2 h PRO 9 CO 0.64 0.94 0.62 0.93 -0.23 0.00 0.00 178.00 180.90 2dk2 h GLU 10 N 0.37 1.02 -0.08 0.86 4.39 -2.00 -2.53 114.58 116.62 2dk2 h GLU 10 Ca 0.04 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.72 2dk2 h GLU 10 Cb 0.82 -0.23 -0.06 0.00 -0.10 0.00 0.00 28.75 29.18 2dk2 h GLU 10 CO 0.06 0.67 -0.33 0.28 -1.16 0.00 0.00 179.01 178.54 2dk2 h VAL 11 N 1.05 0.28 -0.20 3.13 2.07 -1.97 0.70 116.25 121.31 2dk2 h VAL 11 Ca 0.45 0.00 0.06 0.00 0.82 0.00 0.00 66.70 68.02 2dk2 h VAL 11 Cb 0.32 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.37 2dk2 h VAL 11 CO -0.20 0.00 0.21 0.24 0.02 0.00 0.00 177.57 177.84 2dk2 h MET 12 N -0.43 0.00 0.00 1.57 2.86 -1.53 0.17 114.93 117.57 2dk2 h MET 12 Ca 0.08 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.67 2dk2 h MET 12 Cb 0.56 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.21 2dk2 h MET 12 CO -0.32 0.00 -0.26 0.00 1.06 0.00 0.00 176.91 177.39 2dk2 h ALA 13 N 1.78 1.23 -1.32 6.32 0.00 -0.66 -3.38 119.26 123.23 2dk2 h ALA 13 Ca 0.10 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.77 2dk2 h ALA 13 Cb 0.51 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2dk2 h ALA 13 CO -0.00 0.33 0.00 1.63 0.00 0.00 0.00 179.25 181.21 2dk2 n LYS 14 N -3.73 0.00 -2.58 0.00 5.02 0.42 -5.11 118.16 112.18 2dk2 n LYS 14 Ca -0.01 0.00 -0.06 0.00 -2.02 0.00 0.00 58.31 56.22 2dk2 n LYS 14 Cb 0.37 -0.23 -0.05 0.00 -0.02 0.00 0.00 35.03 35.10 2dk2 n LYS 14 CO 0.00 0.00 0.00 0.28 -0.52 0.00 0.00 177.40 177.16 2dk2 n VAL 15 N -2.02-12.94 0.15 -0.18 0.31 -0.22 -4.85 118.33 98.59 2dk2 n VAL 15 Ca 0.00 2.79 0.03 0.00 -0.01 0.00 0.00 64.34 67.15 2dk2 n VAL 15 Cb 0.00 -6.57 0.13 0.00 -0.91 0.00 0.00 33.84 26.49 2dk2 n VAL 15 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 2dk2 h LYS 16 N 4.06 0.00 -4.61 5.55 3.64 -1.89 -3.42 116.57 119.90 2dk2 h LYS 16 Ca -0.57 0.00 -0.70 0.00 -1.27 0.00 0.00 60.65 58.11 2dk2 h LYS 16 Cb 1.29 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.91 2dk2 h LYS 16 CO 0.01 0.48 -0.46 0.08 -2.27 0.00 0.00 179.45 177.29 2dk2 s VAL 17 N -3.17 5.23 -0.26 2.00 1.01 -1.26 -4.00 120.40 119.96 2dk2 s VAL 17 Ca 0.02 -0.45 -0.18 0.00 0.00 0.00 0.00 61.98 61.37 2dk2 s VAL 17 Cb 0.09 -3.80 -0.03 0.00 0.00 0.00 0.00 36.38 32.64 2dk2 s VAL 17 CO 0.73 -0.15 0.52 -0.76 0.00 0.00 0.00 175.10 175.44 2dk2 s LEU 18 N 1.69 4.06 -0.44 3.92 1.43 -1.25 -3.01 118.68 125.08 2dk2 s LEU 18 Ca 0.05 0.55 -0.26 0.00 -1.03 0.00 0.00 54.13 53.44 2dk2 s LEU 18 Cb -0.18 -2.68 0.02 0.00 0.03 0.00 0.00 46.19 43.38 2dk2 s LEU 18 CO 0.10 -0.28 0.97 0.12 0.23 0.00 0.00 176.35 177.48 2dk2 s PHE 19 N 2.27 2.95 -0.33 0.29 5.36 -0.67 -4.30 117.98 123.55 2dk2 s PHE 19 Ca 0.22 0.56 -0.08 0.00 -0.96 0.00 0.00 56.93 56.67 2dk2 s PHE 19 Cb -0.16 -3.97 0.02 0.00 -0.34 0.00 0.00 43.02 38.58 2dk2 s PHE 19 CO 0.09 -1.05 0.13 0.08 -1.46 0.00 0.00 175.22 173.01 2dk2 s VAL 20 N 3.81 4.17 0.44 3.12 1.01 -1.24 -0.48 120.40 131.22 2dk2 s VAL 20 Ca 0.39 -0.83 0.08 0.00 0.00 0.00 0.00 61.98 61.63 2dk2 s VAL 20 Cb -0.10 -3.25 0.01 0.00 0.00 0.00 0.00 36.38 33.03 2dk2 s VAL 20 CO 0.25 -0.08 0.49 -0.60 0.00 0.00 0.00 175.10 175.16 2dk2 s ARG 21 N 1.50 2.60 -0.70 2.72 3.52 0.15 -1.33 118.95 127.42 2dk2 s ARG 21 Ca 0.01 -1.47 -0.03 0.00 -0.13 0.00 0.00 55.73 54.11 2dk2 s ARG 21 Cb -0.18 -2.52 0.00 0.00 -1.56 0.00 0.00 34.95 30.69 2dk2 s ARG 21 CO 0.04 -0.32 0.67 0.09 -0.81 0.00 0.00 175.30 174.97 2dk2 n ASN 22 N -1.75 -7.45 -4.86 -2.12 3.02 -1.19 -1.48 115.26 99.43 2dk2 n ASN 22 Ca 0.06 -0.08 -0.21 0.00 -0.03 0.00 0.00 54.58 54.32 2dk2 n ASN 22 Cb 0.61 -4.85 -0.03 0.00 -0.61 0.00 0.00 39.78 34.90 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 -3.87 3.49 0.27 3.41 1.02 -0.68 -3.95 118.68 118.37 2dk2 s LEU 23 Ca 0.04 -0.62 -0.17 0.00 0.02 0.00 0.00 54.13 53.41 2dk2 s LEU 23 Cb -0.01 -2.13 -0.09 0.00 0.02 0.00 0.00 46.19 43.98 2dk2 s LEU 23 CO 0.77 -0.49 0.73 0.00 0.02 0.00 0.00 176.35 177.38 2dk2 s ALA 24 N -2.39 3.37 -0.15 4.21 0.00 -1.26 -4.99 121.76 120.56 2dk2 s ALA 24 Ca 0.44 0.10 0.16 0.00 0.00 0.00 0.00 51.96 52.66 2dk2 s ALA 24 Cb -0.05 -2.79 -0.03 0.00 0.00 0.00 0.00 23.12 20.26 2dk2 s ALA 24 CO 0.27 0.33 1.13 1.79 0.00 0.00 0.00 175.76 179.28 2dk2 h THR 25 N 2.34 0.63 0.00 0.00 1.35 -1.99 -3.32 112.91 111.92 2dk2 h THR 25 Ca -0.48 -2.02 -0.22 0.00 -0.55 0.00 0.00 66.41 63.14 2dk2 h THR 25 Cb 1.18 2.18 -0.03 0.00 -1.73 0.00 0.00 68.15 69.75 2dk2 h THR 25 CO 0.65 0.36 -1.06 0.71 -0.25 0.00 0.00 175.52 175.93 2dk2 h THR 26 N 0.00 1.65 -4.17 6.82 1.35 -2.00 -3.46 112.91 113.10 2dk2 h THR 26 Ca -0.08 -3.37 -0.50 0.00 -0.55 0.00 0.00 66.41 61.91 2dk2 h THR 26 Cb 1.45 2.81 0.16 0.00 -1.73 0.00 0.00 68.15 70.84 2dk2 h THR 26 CO 0.05 0.94 0.25 0.68 -0.25 0.00 0.00 175.52 177.19 2dk2 s VAL 27 N -2.70 2.73 0.24 6.82 -7.23 -1.25 -5.07 120.40 113.95 2dk2 s VAL 27 Ca 0.01 0.24 0.04 0.00 -1.81 0.00 0.00 61.98 60.45 2dk2 s VAL 27 Cb 0.10 -2.56 -0.05 0.00 0.56 0.00 0.00 36.38 34.42 2dk2 s VAL 27 CO 0.82 -0.31 -0.01 0.28 -0.31 0.00 0.00 175.10 175.57 2dk2 s THR 28 N -2.81 1.14 0.56 5.32 -1.32 -1.26 -4.98 115.64 112.29 2dk2 s THR 28 Ca 0.64 -2.05 0.27 0.00 -1.21 0.00 0.00 61.69 59.34 2dk2 s THR 28 Cb -0.19 -2.38 0.39 0.00 -1.51 0.00 0.00 72.50 68.81 2dk2 s THR 28 CO 0.57 -0.31 1.99 -0.33 -2.21 0.00 0.00 174.62 174.34 2dk2 h GLU 29 N 2.43 0.00 -0.25 7.08 5.08 -1.98 -0.86 114.58 126.08 2dk2 h GLU 29 Ca -0.39 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.95 2dk2 h GLU 29 Cb 1.22 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.46 2dk2 h GLU 29 CO 0.65 0.00 0.06 1.49 -1.00 0.00 0.00 179.01 180.21 2dk2 h GLU 30 N 0.00 0.40 0.43 2.33 4.22 -1.99 -1.47 114.58 118.51 2dk2 h GLU 30 Ca 0.21 -0.10 -0.02 0.00 0.08 0.00 0.00 59.36 59.53 2dk2 h GLU 30 Cb 0.95 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.15 2dk2 h GLU 30 CO -0.00 0.50 -0.21 0.82 -2.18 0.00 0.00 179.01 177.95 2dk2 h ILE 31 N 0.23 0.57 -0.76 2.32 2.04 -1.57 -2.82 117.51 117.52 2dk2 h ILE 31 Ca 0.08 -0.21 0.13 0.00 1.00 0.00 0.00 64.86 65.86 2dk2 h ILE 31 Cb 0.28 0.67 -0.09 0.00 -0.74 0.00 0.00 36.82 36.95 2dk2 h ILE 31 CO 0.00 0.04 0.35 -0.07 0.00 0.00 0.00 178.15 178.47 2dk2 h LEU 32 N -0.70 0.39 -2.24 1.44 3.38 -1.50 0.30 115.31 116.38 2dk2 h LEU 32 Ca -0.06 0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.04 2dk2 h LEU 32 Cb 0.51 0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.29 2dk2 h LEU 32 CO 0.10 0.18 0.15 -0.33 0.09 0.00 0.00 178.44 178.63 2dk2 h GLU 33 N 0.53 0.00 0.00 1.13 5.08 -1.13 -0.23 114.58 119.96 2dk2 h GLU 33 Ca 0.40 0.00 -0.19 0.00 -1.00 0.00 0.00 59.36 58.57 2dk2 h GLU 33 Cb 0.54 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.76 2dk2 h GLU 33 CO -0.35 0.00 -1.56 1.63 -1.00 0.00 0.00 179.01 177.73 2dk2 n LYS 34 N -3.93 0.63 0.06 2.33 5.02 0.83 -2.30 118.16 120.80 2dk2 n LYS 34 Ca 0.01 0.18 -0.03 0.00 -2.02 0.00 0.00 58.31 56.45 2dk2 n LYS 34 Cb 0.27 -1.76 0.20 0.00 -0.02 0.00 0.00 35.03 33.71 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 0.35 0.20 4.39 0.02 0.89 -3.09 113.55 116.32 2dk2 h SER 35 Ca -0.20 -0.15 -0.34 0.00 -0.84 0.00 0.00 61.79 60.26 2dk2 h SER 35 Cb 1.64 -0.10 -0.05 0.00 0.14 0.00 0.00 62.40 64.03 2dk2 h SER 35 CO 0.04 0.72 -2.08 0.49 -1.14 0.00 0.00 176.83 174.86 2dk2 n PHE 36 N -4.04 0.60 -0.24 3.45 3.72 -0.79 -4.22 117.46 115.94 2dk2 n PHE 36 Ca -0.01 0.18 0.16 0.00 -0.05 0.00 0.00 57.45 57.73 2dk2 n PHE 36 Cb 0.48 -1.10 0.46 0.00 -0.94 0.00 0.00 39.48 38.38 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 0.50 -0.31 4.37 0.87 -1.47 0.24 113.55 117.76 2dk2 h SER 37 Ca -0.43 0.04 0.09 0.00 -1.23 0.00 0.00 61.79 60.26 2dk2 h SER 37 Cb 2.07 -0.05 -0.01 0.00 -0.44 0.00 0.00 62.40 63.97 2dk2 h SER 37 CO 0.04 0.22 0.30 1.05 -0.53 0.00 0.00 176.83 177.92 2dk2 h GLU 38 N 0.51 0.00 0.00 2.24 -0.00 -1.71 -2.46 114.58 113.16 2dk2 h GLU 38 Ca 0.45 0.00 -0.16 0.00 -0.00 0.00 0.00 59.36 59.66 2dk2 h GLU 38 Cb 0.97 0.00 -0.02 0.00 -0.00 0.00 0.00 28.75 29.70 2dk2 h GLU 38 CO -0.19 0.00 -0.89 0.74 -0.00 0.00 0.00 179.01 178.67 2dk2 h PHE 39 N 0.00 0.00 -2.31 2.06 0.04 -0.78 -3.50 116.94 112.45 2dk2 h PHE 39 Ca 0.15 0.00 0.01 0.00 2.80 0.00 0.00 57.97 60.92 2dk2 h PHE 39 Cb 0.75 0.00 -0.17 0.00 2.20 0.00 0.00 35.95 38.73 2dk2 h PHE 39 CO 0.00 1.24 0.31 0.20 -0.60 0.00 0.00 178.31 179.45 2dk2 s GLY 40 N -4.63 -0.52 -0.35 -1.45 0.00 -0.93 -4.99 107.32 94.45 2dk2 s GLY 40 Ca -0.25 1.10 -0.34 0.00 0.00 0.00 0.00 44.72 45.23 2dk2 s GLY 40 CO 0.57 0.59 2.21 0.28 0.00 0.00 0.00 173.10 176.75 2dk2 n LYS 41 N 0.24 1.15 -1.08 2.90 4.76 -1.26 -4.14 118.16 120.74 2dk2 n LYS 41 Ca -0.15 0.31 -0.29 0.00 -2.87 0.00 0.00 58.31 55.31 2dk2 n LYS 41 Cb 0.61 -2.55 0.20 0.00 -1.84 0.00 0.00 35.03 31.45 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 7.56 1.18 -0.07 -0.35 1.43 -1.26 -3.72 118.68 123.45 2dk2 s LEU 42 Ca 1.09 1.03 -0.03 0.00 -1.03 0.00 0.00 54.13 55.19 2dk2 s LEU 42 Cb -0.79 -3.04 -0.04 0.00 0.03 0.00 0.00 46.19 42.35 2dk2 s LEU 42 CO 0.47 -3.57 -0.09 -0.62 0.23 0.00 0.00 176.35 172.77 2dk2 n GLU 43 N -4.45 0.16 -3.65 1.70 -0.58 0.85 -4.72 120.64 109.96 2dk2 n GLU 43 Ca 0.07 0.06 -0.04 0.00 -0.42 0.00 0.00 57.16 56.83 2dk2 n GLU 43 Cb 0.58 -0.85 -0.07 0.00 -0.57 0.00 0.00 31.44 30.53 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 -2.14 0.16 0.09 3.49 6.06 -1.23 -4.95 118.95 120.43 2dk2 s ARG 44 Ca -0.10 0.18 0.08 0.00 -2.50 0.00 0.00 55.73 53.38 2dk2 s ARG 44 Cb 0.04 0.08 -0.03 0.00 0.06 0.00 0.00 34.95 35.09 2dk2 s ARG 44 CO 0.14 -0.02 -0.20 0.08 -2.50 0.00 0.00 175.30 172.80 2dk2 s VAL 45 N 0.02 1.64 -0.06 7.11 1.01 -1.26 -0.69 120.40 128.17 2dk2 s VAL 45 Ca 0.07 -1.48 -0.04 0.00 0.00 0.00 0.00 61.98 60.53 2dk2 s VAL 45 Cb -0.05 -1.49 0.02 0.00 0.00 0.00 0.00 36.38 34.86 2dk2 s VAL 45 CO -0.13 -0.05 0.14 -0.75 0.00 0.00 0.00 175.10 174.31 2dk2 s LYS 46 N -1.80 0.14 -0.64 2.72 2.47 -0.31 -4.98 119.74 117.33 2dk2 s LYS 46 Ca 0.06 0.26 -0.22 0.00 -1.56 0.00 0.00 55.97 54.51 2dk2 s LYS 46 Cb -0.10 -0.02 0.07 0.00 -1.46 0.00 0.00 37.83 36.32 2dk2 s LYS 46 CO 0.04 -0.08 0.93 0.21 0.16 0.00 0.00 175.35 176.61 2dk2 s LYS 47 N 0.50 3.13 -0.23 4.03 2.20 -1.26 -1.36 119.74 126.75 2dk2 s LYS 47 Ca -0.04 -0.82 0.01 0.00 -0.36 0.00 0.00 55.97 54.77 2dk2 s LYS 47 Cb -0.05 -4.21 0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2dk2 s LYS 47 CO -0.02 -1.74 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.65 2dk2 s LEU 48 N 3.89 2.63 0.00 5.43 2.01 -1.14 -5.03 118.68 126.47 2dk2 s LEU 48 Ca 0.22 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2dk2 s LEU 48 Cb -0.17 -1.22 0.00 0.00 0.01 0.00 0.00 46.19 44.81 2dk2 s LEU 48 CO 0.11 -0.22 0.00 1.17 1.01 0.00 0.00 176.35 178.42 2dk2 n LYS 49 N 4.65 0.00 0.20 1.70 3.00 -1.26 -2.88 118.16 123.56 2dk2 n LYS 49 Ca -0.13 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.32 2dk2 n LYS 49 Cb 0.44 0.00 0.71 0.00 0.00 0.00 0.00 35.03 36.18 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2dk2 h ASP 50 N 0.00 0.00 -4.94 3.14 5.19 -1.96 -3.43 116.42 114.43 2dk2 h ASP 50 Ca 0.00 0.00 -0.28 0.00 -0.62 0.00 0.00 57.03 56.13 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.50 2dk2 h ASP 50 CO 0.00 0.00 -0.10 0.00 -3.12 0.00 0.00 179.24 176.02 2dk2 n TYR 51 N -2.45 -1.61 -3.92 4.55 0.18 -1.14 -1.69 117.16 111.09 2dk2 n TYR 51 Ca -0.01 -1.17 -0.09 0.00 1.88 0.00 0.00 57.90 58.51 2dk2 n TYR 51 Cb 0.07 -0.25 -0.09 0.00 -0.38 0.00 0.00 39.34 38.70 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 -2.39 -0.08 -0.30 -3.48 0.00 -0.44 -2.88 121.76 112.19 2dk2 s ALA 52 Ca 0.22 -0.63 0.01 0.00 0.00 0.00 0.00 51.96 51.56 2dk2 s ALA 52 Cb -0.02 0.34 0.07 0.00 0.00 0.00 0.00 23.12 23.51 2dk2 s ALA 52 CO 0.14 -0.40 -0.01 -0.06 0.00 0.00 0.00 175.76 175.43 2dk2 s PHE 53 N -3.21 3.39 0.03 0.00 0.08 -0.46 -3.62 117.98 114.18 2dk2 s PHE 53 Ca 0.00 -2.28 0.07 0.00 0.12 0.00 0.00 56.93 54.84 2dk2 s PHE 53 Cb 0.02 -2.31 -0.03 0.00 -0.57 0.00 0.00 43.02 40.14 2dk2 s PHE 53 CO -0.07 -0.87 -0.19 0.08 -0.10 0.00 0.00 175.22 174.07 2dk2 s VAL 54 N 1.13 2.73 0.08 -0.44 1.01 -1.26 -1.16 120.40 122.49 2dk2 s VAL 54 Ca -0.02 -1.16 0.09 0.00 0.00 0.00 0.00 61.98 60.89 2dk2 s VAL 54 Cb -0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2dk2 s VAL 54 CO -0.04 0.37 -0.20 -1.00 0.00 0.00 0.00 175.10 174.23 2dk2 s HIS 55 N -0.88 2.49 0.19 5.22 3.76 0.13 -3.84 115.29 122.36 2dk2 s HIS 55 Ca 0.14 -0.29 0.11 0.00 -0.15 0.00 0.00 55.06 54.87 2dk2 s HIS 55 Cb -0.10 -1.38 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2dk2 s HIS 55 CO 0.04 0.30 -0.23 -0.06 -0.85 0.00 0.00 174.74 173.94 2dk2 s PHE 56 N -1.01 2.25 0.58 1.40 0.40 -1.26 -0.11 117.98 120.24 2dk2 s PHE 56 Ca 0.15 -0.37 0.28 0.00 -0.60 0.00 0.00 56.93 56.40 2dk2 s PHE 56 Cb -0.10 -1.11 1.58 0.00 0.51 0.00 0.00 43.02 43.89 2dk2 s PHE 56 CO 0.07 0.49 2.04 0.93 0.70 0.00 0.00 175.22 179.45 2dk2 h GLU 57 N 3.19 0.00 0.00 0.44 4.39 -1.85 -3.45 114.58 117.29 2dk2 h GLU 57 Ca -0.46 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.24 2dk2 h GLU 57 Cb 1.21 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.86 2dk2 h GLU 57 CO 0.48 0.00 0.00 -3.47 -1.16 0.00 0.00 179.01 174.86 2dk2 n ASP 58 N -3.86 0.00 0.04 1.42 -0.08 -1.26 -5.06 116.55 107.76 2dk2 n ASP 58 Ca 0.04 -1.00 -0.20 0.00 -1.51 0.00 0.00 54.79 52.12 2dk2 n ASP 58 Cb 0.43 0.00 -0.14 0.00 2.34 0.00 0.00 41.12 43.75 2dk2 n ASP 58 CO 0.00 0.00 0.00 -0.09 0.12 0.00 0.00 177.20 177.23 2dk2 h ARG 59 N 0.00 0.31 -0.64 -0.67 1.12 -1.91 -3.18 114.38 109.41 2dk2 h ARG 59 Ca 0.00 -0.50 0.19 0.00 -1.11 0.00 0.00 59.98 58.55 2dk2 h ARG 59 Cb 0.00 0.18 -0.03 0.00 -0.01 0.00 0.00 29.97 30.12 2dk2 h ARG 59 CO 0.00 1.23 0.47 0.78 -3.11 0.00 0.00 179.97 179.33 2dk2 h GLY 60 N -0.34 0.00 1.83 2.80 0.00 -1.97 0.31 103.07 105.70 2dk2 h GLY 60 Ca -0.13 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.07 2dk2 h GLY 60 CO 0.15 0.00 -0.71 0.00 0.00 0.00 0.00 176.54 175.98 2dk2 h ALA 61 N 1.67 0.63 0.02 3.60 0.00 -1.98 -2.94 119.26 120.27 2dk2 h ALA 61 Ca 0.31 -0.57 -0.08 0.00 0.00 0.00 0.00 54.91 54.57 2dk2 h ALA 61 Cb 1.24 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 2dk2 h ALA 61 CO -0.00 0.74 -0.40 0.00 0.00 0.00 0.00 179.25 179.59 2dk2 h ALA 62 N 1.43 0.05 0.30 0.00 0.00 -0.52 -3.18 119.26 117.34 2dk2 h ALA 62 Ca -0.03 -0.69 -0.01 0.00 0.00 0.00 0.00 54.91 54.18 2dk2 h ALA 62 Cb 1.46 0.18 0.00 0.00 0.00 0.00 0.00 17.79 19.43 2dk2 h ALA 62 CO 0.07 0.22 -0.14 0.28 0.00 0.00 0.00 179.25 179.67 2dk2 h VAL 63 N -0.90 0.72 -0.26 0.00 2.07 -0.89 0.15 116.25 117.14 2dk2 h VAL 63 Ca -0.10 -0.07 0.08 0.00 0.82 0.00 0.00 66.70 67.43 2dk2 h VAL 63 Cb 1.16 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 31.68 2dk2 h VAL 63 CO -0.02 0.01 0.27 0.50 0.02 0.00 0.00 177.57 178.35 2dk2 h LYS 64 N -0.43 0.00 0.00 1.57 3.11 -1.69 0.24 116.57 119.36 2dk2 h LYS 64 Ca -0.04 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.80 2dk2 h LYS 64 Cb 0.33 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.56 2dk2 h LYS 64 CO 0.07 0.00 -0.06 0.00 -2.81 0.00 0.00 179.45 176.65 2dk2 h ALA 65 N 1.71 0.00 -0.79 5.00 0.00 -1.37 -3.36 119.26 120.45 2dk2 h ALA 65 Ca 0.13 -0.11 0.23 0.00 0.00 0.00 0.00 54.91 55.16 2dk2 h ALA 65 Cb 0.66 0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2dk2 h ALA 65 CO -0.00 0.06 0.57 1.98 0.00 0.00 0.00 179.25 181.85 2dk2 h MET 66 N -0.36 0.02 -0.54 0.00 1.85 -0.61 0.22 114.93 115.51 2dk2 h MET 66 Ca 0.00 -0.00 0.10 0.00 -0.61 0.00 0.00 59.70 59.19 2dk2 h MET 66 Cb 0.06 -0.00 -0.08 0.00 0.43 0.00 0.00 31.60 32.00 2dk2 h MET 66 CO 0.00 0.01 0.08 -0.44 -0.40 0.00 0.00 176.91 176.16 2dk2 h ASP 67 N 0.02 -0.06 0.07 1.39 5.19 -0.67 0.16 116.42 122.51 2dk2 h ASP 67 Ca 0.38 0.11 -0.34 0.00 -0.62 0.00 0.00 57.03 56.55 2dk2 h ASP 67 Cb 1.49 0.16 -0.03 0.00 0.18 0.00 0.00 39.33 41.13 2dk2 h ASP 67 CO -0.01 -0.01 -1.93 -0.62 -3.12 0.00 0.00 179.24 173.55 2dk2 n GLU 68 N -5.16 0.69 -0.29 3.56 1.02 -0.32 -4.28 120.64 115.86 2dk2 n GLU 68 Ca 0.07 0.32 0.07 0.00 -0.02 0.00 0.00 57.16 57.60 2dk2 n GLU 68 Cb 0.28 -1.68 0.22 0.00 -0.02 0.00 0.00 31.44 30.25 2dk2 n GLU 68 CO 0.00 0.00 0.00 0.52 1.18 0.00 0.00 177.13 178.83 2dk2 h MET 69 N -0.28 0.60 -6.08 3.49 2.86 -0.58 -3.41 114.93 111.52 2dk2 h MET 69 Ca -0.45 -0.04 -0.65 0.00 -2.06 0.00 0.00 59.70 56.50 2dk2 h MET 69 Cb 1.81 -0.13 -0.00 0.00 0.06 0.00 0.00 31.60 33.33 2dk2 h MET 69 CO -0.05 0.39 1.28 -1.71 1.06 0.00 0.00 176.91 177.89 2dk2 n ASN 70 N -4.88 2.68 -0.46 1.22 2.85 0.57 -1.75 115.26 115.49 2dk2 n ASN 70 Ca 0.17 0.61 0.00 0.00 -0.11 0.00 0.00 54.58 55.25 2dk2 n ASN 70 Cb 0.44 -1.32 0.00 0.00 1.24 0.00 0.00 39.78 40.14 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 2dk2 n GLY 71 N 5.59 0.80 3.81 8.20 0.00 -1.24 -4.99 105.19 117.35 2dk2 n GLY 71 Ca 0.33 -0.43 -0.24 0.00 0.00 0.00 0.00 46.02 45.69 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 -3.14 2.34 -0.50 1.61 -0.14 -0.72 -5.03 119.74 114.17 2dk2 s LYS 72 Ca 0.00 -1.77 0.01 0.00 -1.36 0.00 0.00 55.97 52.85 2dk2 s LYS 72 Cb 0.00 -2.13 0.13 0.00 -1.68 0.00 0.00 37.83 34.15 2dk2 s LYS 72 CO 0.00 -0.21 0.26 -2.00 -0.76 0.00 0.00 175.35 172.64 2dk2 s GLU 73 N -4.03 2.06 -0.23 1.68 2.12 -1.26 -3.04 118.70 115.99 2dk2 s GLU 73 Ca 0.42 -2.31 -0.13 0.00 0.36 0.00 0.00 54.97 53.31 2dk2 s GLU 73 Cb 0.01 -3.46 -0.05 0.00 0.26 0.00 0.00 34.13 30.89 2dk2 s GLU 73 CO 0.24 -1.09 0.25 0.42 -0.54 0.00 0.00 175.26 174.54 2dk2 s ILE 74 N 0.25 5.30 -1.29 -3.70 1.01 -1.19 -4.27 121.20 117.31 2dk2 s ILE 74 Ca 0.14 0.38 0.00 0.00 0.00 0.00 0.00 60.65 61.17 2dk2 s ILE 74 Cb -0.22 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2dk2 s ILE 74 CO -0.03 0.31 0.00 1.21 0.00 0.00 0.00 174.94 176.42 2dk2 n GLU 75 N 4.38 -1.96 -1.95 2.79 4.07 -1.26 -0.14 120.64 126.57 2dk2 n GLU 75 Ca -0.12 0.73 -0.11 0.00 -0.06 0.00 0.00 57.16 57.59 2dk2 n GLU 75 Cb 0.52 -5.28 -0.02 0.00 -0.06 0.00 0.00 31.44 26.60 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 -0.75 0.30 2.96 8.31 0.00 -1.26 -5.01 105.19 109.74 2dk2 n GLY 76 Ca -0.17 -0.44 -0.28 0.00 0.00 0.00 0.00 46.02 45.13 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 -4.09 1.91 -0.29 1.61 0.41 0.81 -5.08 118.70 113.97 2dk2 s GLU 77 Ca 0.00 -0.41 -0.33 0.00 -0.41 0.00 0.00 54.97 53.82 2dk2 s GLU 77 Cb 0.00 -1.84 -0.10 0.00 -1.78 0.00 0.00 34.13 30.41 2dk2 s GLU 77 CO 0.00 -0.24 2.17 0.39 -0.49 0.00 0.00 175.26 177.08 2dk2 n GLU 78 N 4.83 1.40 -4.15 1.61 -0.58 -1.26 -3.18 120.64 119.31 2dk2 n GLU 78 Ca -0.15 0.40 -0.35 0.00 -0.42 0.00 0.00 57.16 56.63 2dk2 n GLU 78 Cb 0.50 -2.68 -0.08 0.00 -0.57 0.00 0.00 31.44 28.61 2dk2 n GLU 78 CO 0.00 0.00 0.00 0.96 -0.48 0.00 0.00 177.13 177.61 2dk2 s ILE 79 N 7.27 4.77 0.16 -3.67 -5.25 -1.17 -4.71 121.20 118.60 2dk2 s ILE 79 Ca 1.06 -0.07 0.10 0.00 -0.99 0.00 0.00 60.65 60.75 2dk2 s ILE 79 Cb -0.71 -3.06 -0.04 0.00 2.95 0.00 0.00 42.46 41.60 2dk2 s ILE 79 CO 0.46 0.58 -0.17 -0.70 -1.79 0.00 0.00 174.94 173.32 2dk2 s GLU 80 N -0.67 1.78 -0.03 0.37 2.56 -0.55 -3.72 118.70 118.45 2dk2 s GLU 80 Ca 0.11 -1.31 -0.02 0.00 0.00 0.00 0.00 54.97 53.75 2dk2 s GLU 80 Cb -0.12 -2.05 0.01 0.00 2.00 0.00 0.00 34.13 33.97 2dk2 s GLU 80 CO 0.02 0.44 0.07 0.42 -0.56 0.00 0.00 175.26 175.66 2dk2 s ILE 81 N -1.46 0.00 0.33 -3.70 1.01 -1.26 -0.67 121.20 115.46 2dk2 s ILE 81 Ca 0.21 -0.02 0.03 0.00 0.00 0.00 0.00 60.65 60.86 2dk2 s ILE 81 Cb -0.09 -0.11 -0.02 0.00 0.01 0.00 0.00 42.46 42.25 2dk2 s ILE 81 CO 0.11 -0.01 0.37 0.68 0.00 0.00 0.00 174.94 176.09 2dk2 s VAL 82 N -0.01 0.00 -0.33 2.92 -7.23 0.36 -4.93 120.40 111.19 2dk2 s VAL 82 Ca -0.00 -1.81 -0.17 0.00 -1.81 0.00 0.00 61.98 58.18 2dk2 s VAL 82 Cb -0.01 -2.57 -0.01 0.00 0.56 0.00 0.00 36.38 34.35 2dk2 s VAL 82 CO 0.00 0.00 0.46 -0.76 -0.31 0.00 0.00 175.10 174.49 2dk2 s LEU 83 N -3.31 4.30 0.44 1.32 1.43 -1.26 -1.66 118.68 119.94 2dk2 s LEU 83 Ca 0.36 0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2dk2 s LEU 83 Cb 0.01 -2.51 -0.04 0.00 0.03 0.00 0.00 46.19 43.68 2dk2 s LEU 83 CO 0.24 -0.39 0.73 0.00 0.23 0.00 0.00 176.35 177.16 2dk2 s ALA 84 N 2.25 3.46 0.10 4.21 0.00 -1.16 -4.88 121.76 125.73 2dk2 s ALA 84 Ca 0.17 -0.55 0.03 0.00 0.00 0.00 0.00 51.96 51.61 2dk2 s ALA 84 Cb -0.16 -2.50 -0.04 0.00 0.00 0.00 0.00 23.12 20.42 2dk2 s ALA 84 CO 0.12 -0.23 0.12 -1.59 0.00 0.00 0.00 175.76 174.18 2dk2 s LYS 85 N -4.51 2.99 0.96 0.00 -2.85 -1.26 -4.78 119.74 110.28 2dk2 s LYS 85 Ca 0.46 -0.69 -0.12 0.00 -1.00 0.00 0.00 55.97 54.62 2dk2 s LYS 85 Cb -0.10 -2.76 0.17 0.00 -2.06 0.00 0.00 37.83 33.07 2dk2 s LYS 85 CO 0.41 0.55 1.09 -1.25 0.10 0.00 0.00 175.35 176.26 2dk2 s PRO 86 N -2.58 0.73 0.04 1.78 0.04 -1.26 -4.97 135.00 128.77 2dk2 s PRO 86 Ca 0.31 0.63 -0.31 0.00 0.04 0.00 0.00 61.00 61.67 2dk2 s PRO 86 Cb -0.12 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.60 2dk2 s PRO 86 CO 0.23 -2.56 1.41 -1.25 0.04 0.00 0.00 177.00 174.88 2dk2 s PRO 87 N -4.95 4.29 -0.10 0.56 0.04 -1.26 -5.02 135.00 128.55 2dk2 s PRO 87 Ca 0.65 2.02 0.03 0.00 0.04 0.00 0.00 61.00 63.74 2dk2 s PRO 87 Cb -0.18 -3.47 -0.00 0.00 0.04 0.00 0.00 34.50 30.88 2dk2 s PRO 87 CO 0.57 -0.54 -0.22 -0.51 0.04 0.00 0.00 177.00 176.34 2dk2 s ASP 88 N 1.68 3.23 -0.28 6.66 1.11 -1.26 -4.88 116.67 122.93 2dk2 s ASP 88 Ca 0.65 -0.52 -0.03 0.00 0.18 0.00 0.00 52.55 52.82 2dk2 s ASP 88 Cb -0.34 -1.44 0.00 0.00 1.07 0.00 0.00 42.92 42.22 2dk2 s ASP 88 CO 0.28 0.16 0.09 0.29 1.18 0.00 0.00 175.17 177.18 2dk2 n LYS 89 N 3.52 -2.81 -3.39 8.23 4.76 -1.26 -4.65 118.16 122.56 2dk2 n LYS 89 Ca -0.19 2.36 -0.16 0.00 -2.87 0.00 0.00 58.31 57.45 2dk2 n LYS 89 Cb 0.53 -4.63 -0.09 0.00 -1.84 0.00 0.00 35.03 29.00 2dk2 n LYS 89 CO 0.00 0.00 0.00 0.21 -1.37 0.00 0.00 177.40 176.24 2dk2 s LYS 90 N -1.68 0.33 0.27 1.97 2.20 -1.26 -4.65 119.74 116.92 2dk2 s LYS 90 Ca 0.04 -0.07 -0.29 0.00 -0.36 0.00 0.00 55.97 55.28 2dk2 s LYS 90 Cb -0.01 -0.61 -0.09 0.00 -1.51 0.00 0.00 37.83 35.61 2dk2 s LYS 90 CO 0.66 -1.01 1.24 1.03 -0.36 0.00 0.00 175.35 176.91 2dk2 s ARG 91 N 2.39 4.46 -0.24 4.03 0.52 -1.26 -4.99 118.95 123.86 2dk2 s ARG 91 Ca 0.09 2.02 -0.21 0.00 -0.52 0.00 0.00 55.73 57.12 2dk2 s ARG 91 Cb -0.14 -3.15 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 2dk2 s ARG 91 CO -0.32 -0.08 0.65 -1.12 0.02 0.00 0.00 175.30 174.46 2dk2 s SER 92 N -0.33 6.64 0.24 0.23 0.01 -1.26 -5.03 113.70 114.20 2dk2 s SER 92 Ca 0.50 0.78 -0.20 0.00 1.31 0.00 0.00 55.95 58.34 2dk2 s SER 92 Cb -0.36 -2.35 0.03 0.00 0.21 0.00 0.00 66.02 63.55 2dk2 s SER 92 CO 0.44 -0.36 0.65 -0.83 0.41 0.00 0.00 173.24 173.55 2dk2 s GLY 93 N 1.38 -0.14 -0.89 3.44 0.00 -1.26 -5.09 107.32 104.76 2dk2 s GLY 93 Ca 0.28 -0.19 -0.25 0.00 0.00 0.00 0.00 44.72 44.56 2dk2 s GLY 93 CO 0.09 -0.11 1.94 2.56 0.00 0.00 0.00 173.10 177.58 2dk2 s PRO 94 N -3.89 2.56 -0.32 2.90 0.04 -1.26 -4.83 135.00 130.20 2dk2 s PRO 94 Ca 0.10 -0.24 0.05 0.00 0.04 0.00 0.00 61.00 60.95 2dk2 s PRO 94 Cb -0.04 -5.02 0.18 0.00 0.04 0.00 0.00 34.50 29.66 2dk2 s PRO 94 CO 0.02 -3.34 0.54 -1.54 0.04 0.00 0.00 177.00 172.72 2dk2 s SER 95 N 8.03 -0.96 0.59 6.66 1.04 -1.26 -5.14 113.70 122.67 2dk2 s SER 95 Ca 0.70 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.86 2dk2 s SER 95 Cb -0.07 1.71 0.00 0.00 0.10 0.00 0.00 66.02 67.76 2dk2 s SER 95 CO 0.00 -0.28 0.00 -0.24 0.98 0.00 0.00 173.24 173.70 2dk2 n SER 96 N 5.11 -5.17 0.00 7.02 2.88 -1.26 -5.22 113.62 116.98 2dk2 n SER 96 Ca 0.06 0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.98 2dk2 n SER 96 Cb 0.53 -1.12 0.00 0.00 -0.75 0.00 0.00 64.21 62.86 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42