#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk2 s SER 2 N 0.00 2.68 0.07 1.61 1.04 -1.26 -4.98 113.70 112.86 2dk2 s SER 2 Ca 0.00 1.25 -0.11 0.00 0.48 0.00 0.00 55.95 57.57 2dk2 s SER 2 Cb 0.00 -1.92 -0.27 0.00 0.10 0.00 0.00 66.02 63.92 2dk2 s SER 2 CO 0.00 -3.10 1.12 0.28 0.98 0.00 0.00 173.24 172.52 2dk2 h SER 3 N -1.87 0.73 0.00 7.02 0.02 -2.09 -3.49 113.55 113.86 2dk2 h SER 3 Ca -0.54 -0.70 0.00 0.00 -0.84 0.00 0.00 61.79 59.71 2dk2 h SER 3 Cb 1.32 -0.23 0.00 0.00 0.14 0.00 0.00 62.40 63.63 2dk2 h SER 3 CO 0.57 1.52 0.00 0.61 -1.14 0.00 0.00 176.83 178.39 2dk2 n GLY 4 N 1.41 2.38 3.94 -3.77 0.00 -1.26 -5.17 105.19 102.72 2dk2 n GLY 4 Ca -0.12 -0.64 -0.27 0.00 0.00 0.00 0.00 46.02 44.99 2dk2 n GLY 4 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2dk2 s SER 5 N 2.00 4.00 -0.56 1.61 0.15 -1.26 -4.96 113.70 114.68 2dk2 s SER 5 Ca 0.00 0.20 -0.27 0.00 0.70 0.00 0.00 55.95 56.58 2dk2 s SER 5 Cb 0.00 -0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 63.76 2dk2 s SER 5 CO 0.00 -2.14 1.82 -0.94 1.20 0.00 0.00 173.24 173.18 2dk2 s SER 6 N -4.72 5.42 -0.09 5.45 1.04 -1.26 -4.91 113.70 114.63 2dk2 s SER 6 Ca 0.67 0.49 -0.30 0.00 0.48 0.00 0.00 55.95 57.29 2dk2 s SER 6 Cb -0.07 -2.53 0.09 0.00 0.10 0.00 0.00 66.02 63.62 2dk2 s SER 6 CO 0.48 -2.23 0.82 -0.83 0.98 0.00 0.00 173.24 172.46 2dk2 s GLY 7 N 7.55 -0.45 0.23 7.32 0.00 -1.26 -5.17 107.32 115.54 2dk2 s GLY 7 Ca 0.68 1.59 0.02 0.00 0.00 0.00 0.00 44.72 47.01 2dk2 s GLY 7 CO 0.23 0.95 0.39 0.99 0.00 0.00 0.00 173.10 175.67 2dk2 s ASP 8 N -1.23 6.34 0.01 1.64 1.11 -1.26 -5.04 116.67 118.24 2dk2 s ASP 8 Ca -0.06 0.27 -0.23 0.00 0.18 0.00 0.00 52.55 52.70 2dk2 s ASP 8 Cb -0.00 -1.95 -0.18 0.00 1.07 0.00 0.00 42.92 41.86 2dk2 s ASP 8 CO 0.05 -0.08 1.30 1.55 1.18 0.00 0.00 175.17 179.17 2dk2 h PRO 9 N 1.53 0.17 -0.26 8.23 0.13 -2.02 -3.07 132.00 136.70 2dk2 h PRO 9 Ca -0.50 -0.09 0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2dk2 h PRO 9 Cb 1.21 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.33 2dk2 h PRO 9 CO 0.65 0.61 0.27 0.93 -0.23 0.00 0.00 178.00 180.22 2dk2 h GLU 10 N -0.27 0.00 0.01 0.86 5.08 -1.96 0.59 114.58 118.90 2dk2 h GLU 10 Ca 0.01 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.37 2dk2 h GLU 10 Cb 0.58 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.83 2dk2 h GLU 10 CO 0.02 0.00 -0.03 0.28 -1.00 0.00 0.00 179.01 178.27 2dk2 h VAL 11 N 0.00 0.00 0.02 3.13 2.07 -1.95 -0.43 116.25 119.09 2dk2 h VAL 11 Ca 0.12 0.00 -0.25 0.00 0.82 0.00 0.00 66.70 67.39 2dk2 h VAL 11 Cb 0.65 0.00 0.01 0.00 -1.52 0.00 0.00 31.29 30.44 2dk2 h VAL 11 CO -0.00 0.00 -1.03 0.24 0.02 0.00 0.00 177.57 176.80 2dk2 h MET 12 N -0.05 0.53 -0.82 1.57 2.86 -1.67 -3.21 114.93 114.15 2dk2 h MET 12 Ca -0.00 -0.60 0.22 0.00 -2.06 0.00 0.00 59.70 57.26 2dk2 h MET 12 Cb 0.05 0.18 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 2dk2 h MET 12 CO -0.01 1.22 0.58 0.00 1.06 0.00 0.00 176.91 179.75 2dk2 h ALA 13 N 0.56 2.61 -0.56 6.32 0.00 -0.89 0.18 119.26 127.48 2dk2 h ALA 13 Ca -0.11 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 54.88 2dk2 h ALA 13 Cb 1.68 0.04 -0.03 0.00 0.00 0.00 0.00 17.79 19.47 2dk2 h ALA 13 CO 0.19 -0.85 0.38 0.87 0.00 0.00 0.00 179.25 179.83 2dk2 h LYS 14 N 0.10 0.35 -6.40 0.00 1.79 -1.07 -3.43 116.57 107.93 2dk2 h LYS 14 Ca 0.40 -0.02 -0.63 0.00 -2.18 0.00 0.00 60.65 58.22 2dk2 h LYS 14 Cb 1.42 -0.08 0.06 0.00 -1.58 0.00 0.00 32.23 32.05 2dk2 h LYS 14 CO -0.05 0.23 0.59 0.28 -1.08 0.00 0.00 179.45 179.43 2dk2 n VAL 15 N -4.47 0.14 -1.40 0.50 0.31 0.61 -4.88 118.33 109.15 2dk2 n VAL 15 Ca 0.09 -0.04 0.08 0.00 -0.01 0.00 0.00 64.34 64.46 2dk2 n VAL 15 Cb 0.36 -1.16 0.18 0.00 -0.91 0.00 0.00 33.84 32.31 2dk2 n VAL 15 CO 0.00 0.00 0.00 2.29 -1.32 0.00 0.00 176.83 177.80 2dk2 n LYS 16 N 2.79 1.46 -3.87 5.55 2.85 -1.26 -4.81 118.16 120.87 2dk2 n LYS 16 Ca 0.17 -3.02 -0.24 0.00 -1.05 0.00 0.00 58.31 54.17 2dk2 n LYS 16 Cb 0.24 -1.57 -0.17 0.00 -0.65 0.00 0.00 35.03 32.88 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 -3.09 0.63 -0.07 0.58 1.01 -1.26 -4.00 120.40 114.21 2dk2 s VAL 17 Ca 0.36 -0.05 -0.11 0.00 0.00 0.00 0.00 61.98 62.17 2dk2 s VAL 17 Cb 0.33 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.94 2dk2 s VAL 17 CO -0.03 0.30 0.28 -0.76 0.00 0.00 0.00 175.10 174.89 2dk2 s LEU 18 N 1.76 4.41 -0.51 3.92 1.43 -1.26 -2.69 118.68 125.74 2dk2 s LEU 18 Ca 0.03 0.71 -0.07 0.00 -1.03 0.00 0.00 54.13 53.77 2dk2 s LEU 18 Cb -0.13 -2.35 0.13 0.00 0.03 0.00 0.00 46.19 43.88 2dk2 s LEU 18 CO -0.06 0.33 0.36 0.12 0.23 0.00 0.00 176.35 177.34 2dk2 s PHE 19 N -0.87 3.49 -0.41 0.29 5.36 -0.25 -4.24 117.98 121.34 2dk2 s PHE 19 Ca 0.19 -2.17 -0.23 0.00 -0.96 0.00 0.00 56.93 53.77 2dk2 s PHE 19 Cb -0.14 -3.41 0.02 0.00 -0.34 0.00 0.00 43.02 39.15 2dk2 s PHE 19 CO 0.08 -0.96 0.76 0.08 -1.46 0.00 0.00 175.22 173.72 2dk2 s VAL 20 N 0.95 4.72 0.33 3.12 1.01 -1.24 -1.63 120.40 127.65 2dk2 s VAL 20 Ca 0.09 0.59 0.07 0.00 0.00 0.00 0.00 61.98 62.73 2dk2 s VAL 20 Cb -0.23 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 31.89 2dk2 s VAL 20 CO -0.03 -0.56 0.42 -0.60 0.00 0.00 0.00 175.10 174.33 2dk2 s ARG 21 N 3.12 3.05 -0.45 2.72 3.52 0.11 -1.56 118.95 129.46 2dk2 s ARG 21 Ca 0.29 -1.06 -0.20 0.00 -0.13 0.00 0.00 55.73 54.63 2dk2 s ARG 21 Cb -0.13 -2.74 0.03 0.00 -1.56 0.00 0.00 34.95 30.54 2dk2 s ARG 21 CO 0.19 0.11 0.62 0.09 -0.81 0.00 0.00 175.30 175.50 2dk2 n ASN 22 N -1.55 -7.35 -4.94 -2.12 3.02 -1.13 -0.65 115.26 100.54 2dk2 n ASN 22 Ca -0.01 0.33 -0.22 0.00 -0.03 0.00 0.00 54.58 54.64 2dk2 n ASN 22 Cb 0.58 -4.48 0.01 0.00 -0.61 0.00 0.00 39.78 35.28 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 -2.67 3.03 0.06 3.41 1.02 -0.05 -4.04 118.68 119.44 2dk2 s LEU 23 Ca 0.27 -0.97 -0.04 0.00 0.02 0.00 0.00 54.13 53.41 2dk2 s LEU 23 Cb -0.06 -1.60 -0.05 0.00 0.02 0.00 0.00 46.19 44.50 2dk2 s LEU 23 CO 0.80 -1.06 0.28 0.00 0.02 0.00 0.00 176.35 176.39 2dk2 s ALA 24 N -2.65 3.88 -0.15 4.21 0.00 -1.26 -5.00 121.76 120.78 2dk2 s ALA 24 Ca 0.47 -0.64 0.16 0.00 0.00 0.00 0.00 51.96 51.95 2dk2 s ALA 24 Cb -0.04 -2.02 -0.03 0.00 0.00 0.00 0.00 23.12 21.03 2dk2 s ALA 24 CO 0.29 0.70 1.13 1.15 0.00 0.00 0.00 175.76 179.03 2dk2 h THR 25 N 2.54 0.64 0.00 0.00 2.02 -1.99 -3.31 112.91 112.81 2dk2 h THR 25 Ca -0.48 -2.04 -0.15 0.00 0.77 0.00 0.00 66.41 64.51 2dk2 h THR 25 Cb 1.18 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.75 2dk2 h THR 25 CO 0.70 0.36 -0.73 0.71 0.37 0.00 0.00 175.52 176.94 2dk2 h THR 26 N 0.00 1.42 -4.28 3.16 1.35 -1.99 -3.45 112.91 109.12 2dk2 h THR 26 Ca -0.08 -2.59 -0.50 0.00 -0.55 0.00 0.00 66.41 62.70 2dk2 h THR 26 Cb 1.45 2.44 0.12 0.00 -1.73 0.00 0.00 68.15 70.43 2dk2 h THR 26 CO 0.05 0.71 0.33 0.68 -0.25 0.00 0.00 175.52 177.04 2dk2 s VAL 27 N -3.17 3.38 0.30 6.82 -7.23 -1.25 -5.08 120.40 114.17 2dk2 s VAL 27 Ca 0.00 0.45 0.03 0.00 -1.81 0.00 0.00 61.98 60.66 2dk2 s VAL 27 Cb 0.11 -3.07 -0.06 0.00 0.56 0.00 0.00 36.38 33.91 2dk2 s VAL 27 CO 0.77 -0.58 0.05 0.28 -0.31 0.00 0.00 175.10 175.31 2dk2 s THR 28 N -3.01 1.09 0.58 5.32 -1.32 -1.26 -4.98 115.64 112.06 2dk2 s THR 28 Ca 0.60 -2.01 0.28 0.00 -1.21 0.00 0.00 61.69 59.35 2dk2 s THR 28 Cb -0.16 -2.70 0.37 0.00 -1.51 0.00 0.00 72.50 68.50 2dk2 s THR 28 CO 0.55 -0.05 2.03 -0.33 -2.21 0.00 0.00 174.62 174.61 2dk2 h GLU 29 N 2.21 0.00 0.19 7.08 5.08 -1.98 -1.75 114.58 125.41 2dk2 h GLU 29 Ca -0.40 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 57.95 2dk2 h GLU 29 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dk2 h GLU 29 CO 0.68 0.00 -0.09 1.49 -1.00 0.00 0.00 179.01 180.08 2dk2 h GLU 30 N 0.00 -0.25 0.30 2.33 4.81 -1.99 -2.14 114.58 117.64 2dk2 h GLU 30 Ca 0.15 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 2dk2 h GLU 30 Cb 0.75 0.06 0.00 0.00 0.63 0.00 0.00 28.75 30.19 2dk2 h GLU 30 CO -0.00 0.10 -0.15 0.82 -0.73 0.00 0.00 179.01 179.05 2dk2 h ILE 31 N -0.63 0.70 -0.27 2.32 2.04 -1.75 -1.95 117.51 117.98 2dk2 h ILE 31 Ca -0.03 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.91 2dk2 h ILE 31 Cb 0.46 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.23 2dk2 h ILE 31 CO 0.04 0.00 0.28 -0.07 0.00 0.00 0.00 178.15 178.40 2dk2 h LEU 32 N -0.41 0.00 0.19 1.44 3.38 -1.47 -1.66 115.31 116.79 2dk2 h LEU 32 Ca -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 2dk2 h LEU 32 Cb 0.31 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.06 2dk2 h LEU 32 CO 0.07 0.00 -0.09 -0.33 0.09 0.00 0.00 178.44 178.18 2dk2 h GLU 33 N 0.00 -0.25 -0.82 1.13 5.08 -0.66 -3.22 114.58 115.85 2dk2 h GLU 33 Ca 0.13 0.02 0.24 0.00 -1.00 0.00 0.00 59.36 58.74 2dk2 h GLU 33 Cb 0.69 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 2dk2 h GLU 33 CO -0.00 -0.17 0.59 0.87 -1.00 0.00 0.00 179.01 179.30 2dk2 h LYS 34 N -0.42 0.01 -0.59 2.33 6.56 -1.22 0.28 116.57 123.53 2dk2 h LYS 34 Ca -0.03 -0.00 0.10 0.00 -1.06 0.00 0.00 60.65 59.66 2dk2 h LYS 34 Cb 0.20 -0.00 -0.08 0.00 -0.57 0.00 0.00 32.23 31.78 2dk2 h LYS 34 CO 0.04 0.01 0.17 0.77 -2.06 0.00 0.00 179.45 178.38 2dk2 h SER 35 N 0.01 0.10 0.37 0.86 0.02 -1.32 -2.39 113.55 111.20 2dk2 h SER 35 Ca 0.39 0.09 -0.20 0.00 -0.84 0.00 0.00 61.79 61.23 2dk2 h SER 35 Cb 1.55 0.11 -0.04 0.00 0.14 0.00 0.00 62.40 64.16 2dk2 h SER 35 CO -0.01 0.07 -1.80 0.49 -1.14 0.00 0.00 176.83 174.44 2dk2 n PHE 36 N -5.07 0.54 0.16 3.45 3.72 -0.25 -4.12 117.46 115.89 2dk2 n PHE 36 Ca 0.08 0.18 0.18 0.00 -0.05 0.00 0.00 57.45 57.84 2dk2 n PHE 36 Cb 0.29 -0.97 0.78 0.00 -0.94 0.00 0.00 39.48 38.65 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 0.00 0.00 0.77 4.37 0.87 -0.14 0.25 113.55 119.67 2dk2 h SER 37 Ca -0.25 0.00 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 2dk2 h SER 37 Cb 1.69 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.64 2dk2 h SER 37 CO 0.03 0.00 -0.35 1.05 -0.53 0.00 0.00 176.83 177.04 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 4.11 -1.59 -3.25 114.58 116.08 2dk2 h GLU 38 Ca 0.13 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.54 2dk2 h GLU 38 Cb 0.66 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.91 2dk2 h GLU 38 CO -0.00 0.35 -0.08 0.74 0.07 0.00 0.00 179.01 180.08 2dk2 h PHE 39 N 0.00 0.00 -2.54 2.06 -1.00 -0.75 -3.49 116.94 111.22 2dk2 h PHE 39 Ca -0.00 0.00 0.09 0.00 2.81 0.00 0.00 57.97 60.87 2dk2 h PHE 39 Cb 0.82 0.00 -0.12 0.00 3.61 0.00 0.00 35.95 40.27 2dk2 h PHE 39 CO 0.00 0.92 0.40 0.20 -1.61 0.00 0.00 178.31 178.21 2dk2 s GLY 40 N -4.19 -0.41 -0.36 -1.45 0.00 -0.99 -5.03 107.32 94.89 2dk2 s GLY 40 Ca -0.18 0.55 -0.32 0.00 0.00 0.00 0.00 44.72 44.78 2dk2 s GLY 40 CO 0.61 0.17 2.26 1.17 0.00 0.00 0.00 173.10 177.31 2dk2 n LYS 41 N -0.35 1.27 -1.39 2.90 0.00 -1.26 -4.30 118.16 115.03 2dk2 n LYS 41 Ca -0.10 0.31 -0.30 0.00 0.00 0.00 0.00 58.31 58.22 2dk2 n LYS 41 Cb 0.62 -2.77 0.12 0.00 0.00 0.00 0.00 35.03 33.00 2dk2 n LYS 41 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.40 176.89 2dk2 s LEU 42 N 8.38 2.30 -0.19 3.14 1.43 -1.26 -3.26 118.68 129.22 2dk2 s LEU 42 Ca 1.07 1.31 -0.10 0.00 -1.03 0.00 0.00 54.13 55.38 2dk2 s LEU 42 Cb -0.63 -3.78 -0.08 0.00 0.03 0.00 0.00 46.19 41.73 2dk2 s LEU 42 CO 0.42 -2.40 -0.25 1.21 0.23 0.00 0.00 176.35 175.57 2dk2 n GLU 43 N -3.71 0.40 -3.65 1.70 2.13 0.83 -4.65 120.64 113.69 2dk2 n GLU 43 Ca 0.07 0.18 -0.02 0.00 0.66 0.00 0.00 57.16 58.05 2dk2 n GLU 43 Cb 0.56 -1.18 -0.07 0.00 0.27 0.00 0.00 31.44 31.03 2dk2 n GLU 43 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 2dk2 s ARG 44 N -2.37 0.08 0.03 5.31 3.52 -1.20 -4.95 118.95 119.37 2dk2 s ARG 44 Ca -0.26 0.10 0.06 0.00 -0.13 0.00 0.00 55.73 55.50 2dk2 s ARG 44 Cb 0.10 0.03 -0.03 0.00 -1.56 0.00 0.00 34.95 33.49 2dk2 s ARG 44 CO 0.33 -0.01 -0.16 0.08 -0.81 0.00 0.00 175.30 174.74 2dk2 s VAL 45 N 0.32 2.97 -0.02 7.11 1.01 -1.26 -1.05 120.40 129.48 2dk2 s VAL 45 Ca 0.03 -1.08 -0.01 0.00 0.00 0.00 0.00 61.98 60.92 2dk2 s VAL 45 Cb -0.04 -2.25 0.01 0.00 0.00 0.00 0.00 36.38 34.10 2dk2 s VAL 45 CO -0.14 0.36 0.05 -0.75 0.00 0.00 0.00 175.10 174.63 2dk2 s LYS 46 N -1.39 0.04 -0.61 2.72 2.47 -0.26 -4.98 119.74 117.73 2dk2 s LYS 46 Ca 0.15 0.10 -0.20 0.00 -1.56 0.00 0.00 55.97 54.45 2dk2 s LYS 46 Cb -0.11 -0.02 0.09 0.00 -1.46 0.00 0.00 37.83 36.33 2dk2 s LYS 46 CO 0.05 -0.04 0.79 0.21 0.16 0.00 0.00 175.35 176.53 2dk2 s LYS 47 N 0.22 3.08 -0.23 4.03 2.20 -1.26 -1.34 119.74 126.44 2dk2 s LYS 47 Ca -0.02 -1.10 0.01 0.00 -0.36 0.00 0.00 55.97 54.50 2dk2 s LYS 47 Cb -0.03 -4.24 0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2dk2 s LYS 47 CO -0.01 -1.61 -0.07 -0.51 -0.36 0.00 0.00 175.35 172.80 2dk2 s LEU 48 N 3.16 2.64 0.00 5.43 2.01 -1.13 -5.03 118.68 125.77 2dk2 s LEU 48 Ca 0.16 -1.17 0.00 0.00 0.01 0.00 0.00 54.13 53.13 2dk2 s LEU 48 Cb -0.21 -1.23 0.00 0.00 0.01 0.00 0.00 46.19 44.76 2dk2 s LEU 48 CO 0.08 -0.22 0.00 1.17 1.01 0.00 0.00 176.35 178.39 2dk2 n LYS 49 N 4.64 0.00 0.21 1.70 3.00 -1.26 -2.88 118.16 123.57 2dk2 n LYS 49 Ca -0.13 0.00 0.14 0.00 -0.00 0.00 0.00 58.31 58.33 2dk2 n LYS 49 Cb 0.44 0.00 0.73 0.00 0.00 0.00 0.00 35.03 36.20 2dk2 n LYS 49 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2dk2 h ASP 50 N 0.00 0.00 -4.93 3.14 1.82 -1.96 -3.43 116.42 111.06 2dk2 h ASP 50 Ca 0.00 0.00 -0.28 0.00 -0.39 0.00 0.00 57.03 56.36 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 0.68 0.00 0.00 39.33 40.00 2dk2 h ASP 50 CO 0.00 0.00 -0.10 0.00 -1.61 0.00 0.00 179.24 177.53 2dk2 n TYR 51 N -2.48 -1.61 -3.88 0.28 0.18 -1.14 -0.87 117.16 107.65 2dk2 n TYR 51 Ca -0.01 -1.15 -0.09 0.00 1.88 0.00 0.00 57.90 58.52 2dk2 n TYR 51 Cb 0.07 -0.25 -0.07 0.00 -0.38 0.00 0.00 39.34 38.71 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 -0.16 -0.28 -3.48 0.00 -0.60 -2.84 121.76 112.02 2dk2 s ALA 52 Ca 0.21 -0.68 0.03 0.00 0.00 0.00 0.00 51.96 51.52 2dk2 s ALA 52 Cb -0.02 0.52 0.07 0.00 0.00 0.00 0.00 23.12 23.70 2dk2 s ALA 52 CO 0.14 -0.52 -0.06 -0.06 0.00 0.00 0.00 175.76 175.25 2dk2 s PHE 53 N -3.88 3.39 -0.30 0.00 0.08 -0.45 -3.71 117.98 113.12 2dk2 s PHE 53 Ca 0.07 -2.51 0.02 0.00 0.12 0.00 0.00 56.93 54.62 2dk2 s PHE 53 Cb 0.05 -2.20 0.07 0.00 -0.57 0.00 0.00 43.02 40.37 2dk2 s PHE 53 CO -0.10 -0.90 -0.02 0.08 -0.10 0.00 0.00 175.22 174.19 2dk2 s VAL 54 N 1.05 2.47 0.48 -0.44 1.01 -1.26 -1.11 120.40 122.61 2dk2 s VAL 54 Ca -0.03 -1.80 -0.12 0.00 0.00 0.00 0.00 61.98 60.03 2dk2 s VAL 54 Cb -0.20 -2.56 -0.06 0.00 0.00 0.00 0.00 36.38 33.56 2dk2 s VAL 54 CO -0.06 -0.24 0.89 -1.00 0.00 0.00 0.00 175.10 174.68 2dk2 s HIS 55 N 1.09 3.50 0.34 5.22 3.76 -0.21 -4.17 115.29 124.82 2dk2 s HIS 55 Ca -0.02 1.20 0.07 0.00 -0.15 0.00 0.00 55.06 56.17 2dk2 s HIS 55 Cb -0.20 -2.59 -0.07 0.00 1.11 0.00 0.00 32.58 30.83 2dk2 s HIS 55 CO -0.05 -0.31 -0.04 -0.06 -0.85 0.00 0.00 174.74 173.44 2dk2 s PHE 56 N -2.63 2.27 -0.37 1.40 0.40 -1.26 -0.12 117.98 117.68 2dk2 s PHE 56 Ca 0.54 -0.65 0.06 0.00 -0.60 0.00 0.00 56.93 56.28 2dk2 s PHE 56 Cb -0.10 -1.42 0.58 0.00 0.51 0.00 0.00 43.02 42.59 2dk2 s PHE 56 CO 0.36 0.40 1.66 -1.91 0.70 0.00 0.00 175.22 176.43 2dk2 n GLU 57 N -0.78 2.79 -3.46 0.44 0.00 -1.20 -4.65 120.64 113.78 2dk2 n GLU 57 Ca -0.05 -2.46 0.02 0.00 0.00 0.00 0.00 57.16 54.67 2dk2 n GLU 57 Cb 0.65 -2.01 0.01 0.00 0.00 0.00 0.00 31.44 30.09 2dk2 n GLU 57 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.13 173.66 2dk2 n ASP 58 N -0.34 -0.92 -0.10 4.31 2.03 -1.26 -5.02 116.55 115.24 2dk2 n ASP 58 Ca 0.39 -1.21 -0.11 0.00 0.52 0.00 0.00 54.79 54.38 2dk2 n ASP 58 Cb 1.29 1.43 -0.15 0.00 -0.72 0.00 0.00 41.12 42.97 2dk2 n ASP 58 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2dk2 n ARG 59 N -0.69 0.68 0.14 -0.67 0.00 -1.26 -4.38 116.66 110.49 2dk2 n ARG 59 Ca 0.03 0.03 0.03 0.00 -0.00 0.00 0.00 57.85 57.94 2dk2 n ARG 59 Cb 0.44 -1.53 0.03 0.00 0.00 0.00 0.00 32.46 31.39 2dk2 n ARG 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.63 178.41 2dk2 h GLY 60 N 3.65 0.00 1.95 5.14 0.00 -1.92 -3.06 103.07 108.83 2dk2 h GLY 60 Ca -0.54 0.00 -0.07 0.00 0.00 0.00 0.00 47.33 46.72 2dk2 h GLY 60 CO 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 176.54 176.24 2dk2 h ALA 61 N 1.54 1.42 0.01 3.60 0.00 -1.96 -0.57 119.26 123.29 2dk2 h ALA 61 Ca -0.01 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.51 2dk2 h ALA 61 Cb 1.36 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 2dk2 h ALA 61 CO 0.06 0.43 -0.46 0.00 0.00 0.00 0.00 179.25 179.27 2dk2 h ALA 62 N 1.63 0.08 0.39 0.00 0.00 -1.76 -3.16 119.26 116.44 2dk2 h ALA 62 Ca 0.01 -0.74 -0.02 0.00 0.00 0.00 0.00 54.91 54.16 2dk2 h ALA 62 Cb 0.59 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.62 2dk2 h ALA 62 CO 0.04 0.26 -0.19 0.28 0.00 0.00 0.00 179.25 179.64 2dk2 h VAL 63 N -0.94 0.61 -0.45 0.00 2.07 -1.53 0.20 116.25 116.21 2dk2 h VAL 63 Ca -0.12 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.52 2dk2 h VAL 63 Cb 1.15 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 2dk2 h VAL 63 CO -0.05 0.00 0.32 0.50 0.02 0.00 0.00 177.57 178.36 2dk2 h LYS 64 N -0.53 0.03 0.10 1.57 3.64 -1.28 0.17 116.57 120.26 2dk2 h LYS 64 Ca -0.05 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.32 2dk2 h LYS 64 Cb 0.41 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.22 2dk2 h LYS 64 CO 0.09 0.02 -0.05 0.00 -2.27 0.00 0.00 179.45 177.24 2dk2 h ALA 65 N 1.78 -0.14 -0.28 5.00 0.00 -1.37 -3.30 119.26 120.94 2dk2 h ALA 65 Ca 0.21 -0.03 0.08 0.00 0.00 0.00 0.00 54.91 55.17 2dk2 h ALA 65 Cb 0.81 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2dk2 h ALA 65 CO -0.01 -0.13 0.29 1.98 0.00 0.00 0.00 179.25 181.38 2dk2 h MET 66 N -0.97 0.00 -0.85 0.00 1.85 -0.40 0.17 114.93 114.72 2dk2 h MET 66 Ca -0.01 0.00 0.00 0.00 -0.61 0.00 0.00 59.70 59.08 2dk2 h MET 66 Cb 0.10 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.09 2dk2 h MET 66 CO 0.02 0.00 0.54 -0.44 -0.40 0.00 0.00 176.91 176.63 2dk2 h ASP 67 N 0.00 1.01 0.02 1.39 5.19 -0.75 -0.74 116.42 122.53 2dk2 h ASP 67 Ca 0.13 -0.05 -0.30 0.00 -0.62 0.00 0.00 57.03 56.19 2dk2 h ASP 67 Cb 0.70 -0.25 -0.04 0.00 0.18 0.00 0.00 39.33 39.92 2dk2 h ASP 67 CO -0.00 0.76 -1.67 -0.62 -3.12 0.00 0.00 179.24 174.58 2dk2 n GLU 68 N -4.45 0.60 -0.18 3.56 1.02 -0.24 -4.21 120.64 116.73 2dk2 n GLU 68 Ca 0.09 0.46 0.23 0.00 -0.02 0.00 0.00 57.16 57.91 2dk2 n GLU 68 Cb 0.04 -1.68 0.62 0.00 -0.02 0.00 0.00 31.44 30.39 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 -0.82 0.19 -5.88 3.49 2.86 -0.80 -3.41 114.93 110.56 2dk2 h MET 69 Ca -0.44 -0.01 -0.62 0.00 -2.06 0.00 0.00 59.70 56.57 2dk2 h MET 69 Cb 1.49 -0.04 -0.02 0.00 0.06 0.00 0.00 31.60 33.09 2dk2 h MET 69 CO -0.21 0.13 1.48 -1.71 1.06 0.00 0.00 176.91 177.66 2dk2 n ASN 70 N -4.40 2.27 -0.33 1.22 2.85 -0.29 -1.57 115.26 115.02 2dk2 n ASN 70 Ca 0.18 0.24 0.00 0.00 -0.11 0.00 0.00 54.58 54.89 2dk2 n ASN 70 Cb 0.78 -1.34 0.00 0.00 1.24 0.00 0.00 39.78 40.46 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 6.33 0.81 3.76 8.20 0.00 -1.26 -5.02 105.19 118.00 2dk2 n GLY 71 Ca 0.40 -0.30 -0.23 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.13 2.41 -0.31 1.61 -0.14 -0.61 -5.09 119.74 115.48 2dk2 s LYS 72 Ca 0.00 -1.54 0.02 0.00 -1.36 0.00 0.00 55.97 53.09 2dk2 s LYS 72 Cb 0.00 -2.21 0.08 0.00 -1.68 0.00 0.00 37.83 34.02 2dk2 s LYS 72 CO 0.00 0.07 0.00 -2.00 -0.76 0.00 0.00 175.35 172.66 2dk2 s GLU 73 N -3.89 1.96 -0.18 1.68 2.12 -1.26 -3.60 118.70 115.54 2dk2 s GLU 73 Ca 0.39 -1.59 -0.05 0.00 0.36 0.00 0.00 54.97 54.08 2dk2 s GLU 73 Cb -0.02 -3.13 -0.03 0.00 0.26 0.00 0.00 34.13 31.20 2dk2 s GLU 73 CO 0.23 -0.77 0.00 0.42 -0.54 0.00 0.00 175.26 174.60 2dk2 s ILE 74 N 1.06 4.17 -1.36 -3.70 1.01 -1.11 -4.50 121.20 116.77 2dk2 s ILE 74 Ca 0.01 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 2dk2 s ILE 74 Cb -0.20 -2.86 0.03 0.00 0.01 0.00 0.00 42.46 39.45 2dk2 s ILE 74 CO -0.05 0.46 0.43 1.21 0.00 0.00 0.00 174.94 176.99 2dk2 n GLU 75 N 3.74 -3.64 -1.66 2.79 4.07 -1.26 -0.15 120.64 124.53 2dk2 n GLU 75 Ca -0.17 0.66 -0.17 0.00 -0.06 0.00 0.00 57.16 57.42 2dk2 n GLU 75 Cb 0.52 -5.41 -0.06 0.00 -0.06 0.00 0.00 31.44 26.43 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 -1.23 1.30 3.24 8.31 0.00 -1.26 -4.98 105.19 110.57 2dk2 n GLY 76 Ca -0.08 -0.19 -0.32 0.00 0.00 0.00 0.00 46.02 45.43 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 -3.73 3.00 -0.66 1.61 0.41 0.79 -5.06 118.70 115.06 2dk2 s GLU 77 Ca 0.00 -0.87 -0.26 0.00 -0.41 0.00 0.00 54.97 53.43 2dk2 s GLU 77 Cb 0.00 -2.31 -0.04 0.00 -1.78 0.00 0.00 34.13 30.00 2dk2 s GLU 77 CO 0.00 0.21 2.02 -1.21 -0.49 0.00 0.00 175.26 175.79 2dk2 s GLU 78 N 0.26 2.44 0.17 1.61 2.02 -1.26 -2.75 118.70 121.18 2dk2 s GLU 78 Ca -0.16 0.55 -0.21 0.00 0.02 0.00 0.00 54.97 55.18 2dk2 s GLU 78 Cb -0.17 -4.60 -0.08 0.00 0.10 0.00 0.00 34.13 29.38 2dk2 s GLU 78 CO 0.08 -3.10 0.69 0.96 0.02 0.00 0.00 175.26 173.91 2dk2 s ILE 79 N 10.29 4.57 0.19 -1.63 -5.25 -1.24 -4.82 121.20 123.31 2dk2 s ILE 79 Ca 0.75 1.36 0.08 0.00 -0.99 0.00 0.00 60.65 61.85 2dk2 s ILE 79 Cb -0.12 -3.94 -0.04 0.00 2.95 0.00 0.00 42.46 41.31 2dk2 s ILE 79 CO 0.16 0.37 -0.02 -1.61 -1.79 0.00 0.00 174.94 172.05 2dk2 s GLU 80 N -1.56 2.32 -0.04 0.37 2.02 0.18 -4.43 118.70 117.56 2dk2 s GLU 80 Ca 0.38 -1.17 -0.03 0.00 0.02 0.00 0.00 54.97 54.17 2dk2 s GLU 80 Cb -0.19 -2.30 0.02 0.00 0.10 0.00 0.00 34.13 31.76 2dk2 s GLU 80 CO 0.22 0.44 0.09 0.42 0.02 0.00 0.00 175.26 176.45 2dk2 s ILE 81 N -1.79 -0.02 0.06 -1.63 1.01 -1.26 -0.72 121.20 116.86 2dk2 s ILE 81 Ca 0.27 0.06 -0.13 0.00 0.00 0.00 0.00 60.65 60.86 2dk2 s ILE 81 Cb -0.09 -0.15 0.02 0.00 0.01 0.00 0.00 42.46 42.25 2dk2 s ILE 81 CO 0.18 0.03 0.29 0.68 0.00 0.00 0.00 174.94 176.12 2dk2 s VAL 82 N 0.41 0.09 -0.04 2.92 -7.23 -0.65 -4.99 120.40 110.92 2dk2 s VAL 82 Ca -0.03 -0.76 -0.30 0.00 -1.81 0.00 0.00 61.98 59.08 2dk2 s VAL 82 Cb -0.04 -1.02 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 2dk2 s VAL 82 CO -0.02 -0.42 1.27 -0.76 -0.31 0.00 0.00 175.10 174.87 2dk2 s LEU 83 N -2.27 4.29 -0.64 1.32 1.43 -1.26 -1.09 118.68 120.46 2dk2 s LEU 83 Ca -0.03 1.92 -0.23 0.00 -1.03 0.00 0.00 54.13 54.76 2dk2 s LEU 83 Cb 0.00 -3.56 0.06 0.00 0.03 0.00 0.00 46.19 42.73 2dk2 s LEU 83 CO -0.05 -0.64 0.97 0.00 0.23 0.00 0.00 176.35 176.86 2dk2 s ALA 84 N 2.31 3.11 0.37 4.21 0.00 -1.09 -4.87 121.76 125.80 2dk2 s ALA 84 Ca 0.59 -1.69 -0.15 0.00 0.00 0.00 0.00 51.96 50.70 2dk2 s ALA 84 Cb -0.27 -3.84 -0.09 0.00 0.00 0.00 0.00 23.12 18.92 2dk2 s ALA 84 CO 0.23 -2.70 0.80 -1.59 0.00 0.00 0.00 175.76 172.50 2dk2 s LYS 85 N 4.09 3.99 0.96 0.00 0.00 -1.26 -4.73 119.74 122.79 2dk2 s LYS 85 Ca 0.24 0.73 -0.12 0.00 0.00 0.00 0.00 55.97 56.82 2dk2 s LYS 85 Cb -0.16 -2.36 0.17 0.00 0.00 0.00 0.00 37.83 35.48 2dk2 s LYS 85 CO 0.12 0.05 1.09 -1.25 0.00 0.00 0.00 175.35 175.37 2dk2 s PRO 86 N -3.27 0.75 1.17 1.78 0.04 -1.26 -5.05 135.00 129.17 2dk2 s PRO 86 Ca 0.55 0.64 -0.18 0.00 0.04 0.00 0.00 61.00 62.05 2dk2 s PRO 86 Cb -0.10 -1.76 0.27 0.00 0.04 0.00 0.00 34.50 32.95 2dk2 s PRO 86 CO 0.20 -2.54 1.11 -1.25 0.04 0.00 0.00 177.00 174.56 2dk2 s PRO 87 N -4.95 -0.98 -0.91 0.56 0.04 -1.26 -4.99 135.00 122.51 2dk2 s PRO 87 Ca 0.65 0.03 -0.01 0.00 0.04 0.00 0.00 61.00 61.70 2dk2 s PRO 87 Cb -0.18 -1.62 0.24 0.00 0.04 0.00 0.00 34.50 32.98 2dk2 s PRO 87 CO 0.57 -3.57 0.91 -3.47 0.04 0.00 0.00 177.00 171.48 2dk2 n ASP 88 N -4.68 4.57 -3.57 6.66 2.03 -1.26 -5.00 116.55 115.31 2dk2 n ASP 88 Ca 0.12 -3.21 -0.06 0.00 0.52 0.00 0.00 54.79 52.15 2dk2 n ASP 88 Cb 0.59 -1.05 -0.02 0.00 -0.72 0.00 0.00 41.12 39.91 2dk2 n ASP 88 CO 0.00 0.00 0.00 -0.75 -1.92 0.00 0.00 177.20 174.53 2dk2 s LYS 89 N -1.75 0.44 -0.12 -0.67 2.47 -1.26 -5.07 119.74 113.78 2dk2 s LYS 89 Ca 0.30 -0.13 -0.28 0.00 -1.56 0.00 0.00 55.97 54.30 2dk2 s LYS 89 Cb -0.02 0.21 -0.25 0.00 -1.46 0.00 0.00 37.83 36.31 2dk2 s LYS 89 CO -0.07 -0.19 0.81 0.87 0.16 0.00 0.00 175.35 176.93 2dk2 h LYS 90 N 2.05 -0.00 -5.30 4.03 1.79 -2.02 -3.48 116.57 113.64 2dk2 h LYS 90 Ca -0.13 0.00 -0.31 0.00 -2.18 0.00 0.00 60.65 58.03 2dk2 h LYS 90 Cb 1.19 0.00 0.15 0.00 -1.58 0.00 0.00 32.23 31.98 2dk2 h LYS 90 CO 0.25 0.91 -0.67 -2.13 -1.08 0.00 0.00 179.45 176.73 2dk2 n ARG 91 N -4.64 -6.31 0.14 3.15 0.63 -1.26 -4.88 116.66 103.48 2dk2 n ARG 91 Ca -0.10 0.76 0.12 0.00 -0.92 0.00 0.00 57.85 57.71 2dk2 n ARG 91 Cb 0.44 -5.54 0.63 0.00 0.45 0.00 0.00 32.46 28.45 2dk2 n ARG 91 CO 0.00 0.00 0.00 0.77 -2.51 0.00 0.00 177.63 175.89 2dk2 h SER 92 N -1.91 0.06 -3.28 6.15 0.02 -2.04 -3.44 113.55 109.10 2dk2 h SER 92 Ca -0.53 -0.00 -0.18 0.00 -0.84 0.00 0.00 61.79 60.24 2dk2 h SER 92 Cb 1.31 -0.01 -0.04 0.00 0.14 0.00 0.00 62.40 63.80 2dk2 h SER 92 CO 0.46 0.04 -0.15 0.61 -1.14 0.00 0.00 176.83 176.65 2dk2 n GLY 93 N -1.57 3.84 3.56 -3.77 0.00 -1.26 -5.06 105.19 100.93 2dk2 n GLY 93 Ca 0.02 -2.00 -0.27 0.00 0.00 0.00 0.00 46.02 43.77 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 -2.51 2.55 0.50 1.61 0.04 -1.26 -4.95 135.00 130.97 2dk2 s PRO 94 Ca 0.06 -0.42 0.03 0.00 0.04 0.00 0.00 61.00 60.71 2dk2 s PRO 94 Cb 0.00 -5.09 0.02 0.00 0.04 0.00 0.00 34.50 29.47 2dk2 s PRO 94 CO 0.04 -3.47 0.70 -1.12 0.04 0.00 0.00 177.00 173.20 2dk2 s SER 95 N 7.80 5.46 -0.55 6.66 0.01 -1.26 -5.07 113.70 126.74 2dk2 s SER 95 Ca 0.70 -0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.85 2dk2 s SER 95 Cb -0.06 -0.91 0.14 0.00 0.21 0.00 0.00 66.02 65.41 2dk2 s SER 95 CO 0.01 -0.97 0.35 -0.55 0.41 0.00 0.00 173.24 172.49 2dk2 s SER 96 N -4.37 5.07 0.00 2.44 0.15 -1.26 -5.19 113.70 110.54 2dk2 s SER 96 Ca 0.55 -2.69 0.00 0.00 0.70 0.00 0.00 55.95 54.51 2dk2 s SER 96 Cb -0.10 -1.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.40 2dk2 s SER 96 CO 0.37 -0.38 0.00 0.61 1.20 0.00 0.00 173.24 175.03