#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 3.04 -4.45 1.61 2.88 -1.26 -4.94 113.62 110.50 2dk2 n SER 2 Ca 0.00 0.47 -0.38 0.00 -1.33 0.00 0.00 58.87 57.63 2dk2 n SER 2 Cb 0.00 -1.43 -0.12 0.00 -0.75 0.00 0.00 64.21 61.91 2dk2 n SER 2 CO 0.00 0.00 0.00 -0.55 -1.23 0.00 0.00 175.04 173.26 2dk2 s SER 3 N 6.92 5.48 0.82 -3.46 0.15 -1.26 -4.95 113.70 117.40 2dk2 s SER 3 Ca 1.01 -0.39 0.00 0.00 0.70 0.00 0.00 55.95 57.27 2dk2 s SER 3 Cb -0.56 -1.99 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2dk2 s SER 3 CO 0.43 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.34 2dk2 n GLY 4 N 4.97 1.24 3.05 9.45 0.00 -1.26 -5.00 105.19 117.64 2dk2 n GLY 4 Ca -0.14 -0.70 -0.15 0.00 0.00 0.00 0.00 46.02 45.03 2dk2 n GLY 4 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2dk2 n SER 5 N 6.63 -7.16 -4.42 1.61 2.88 -1.26 -4.96 113.62 106.94 2dk2 n SER 5 Ca 0.00 0.48 -0.37 0.00 -1.33 0.00 0.00 58.87 57.65 2dk2 n SER 5 Cb 0.00 -3.99 -0.12 0.00 -0.75 0.00 0.00 64.21 59.35 2dk2 n SER 5 CO 0.00 0.00 0.00 -0.44 -1.23 0.00 0.00 175.04 173.37 2dk2 s SER 6 N -1.98 5.26 0.00 -3.46 0.01 -1.26 -5.00 113.70 107.27 2dk2 s SER 6 Ca 0.22 -0.44 0.00 0.00 1.31 0.00 0.00 55.95 57.04 2dk2 s SER 6 Cb -0.04 -1.94 0.00 0.00 0.21 0.00 0.00 66.02 64.25 2dk2 s SER 6 CO 0.73 -0.13 0.00 0.61 0.41 0.00 0.00 173.24 174.86 2dk2 n GLY 7 N 4.93 0.72 3.91 3.44 0.00 -1.26 -5.12 105.19 111.81 2dk2 n GLY 7 Ca -0.15 -1.82 -0.27 0.00 0.00 0.00 0.00 46.02 43.78 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 -4.00 6.37 0.01 1.61 1.01 -1.26 -5.03 116.67 115.39 2dk2 s ASP 8 Ca 0.00 0.76 -0.23 0.00 0.71 0.00 0.00 52.55 53.79 2dk2 s ASP 8 Cb 0.00 -2.17 -0.17 0.00 1.01 0.00 0.00 42.92 41.59 2dk2 s ASP 8 CO 0.00 -0.34 1.31 1.55 0.21 0.00 0.00 175.17 177.90 2dk2 h PRO 9 N 1.05 0.19 -0.42 8.23 0.13 -2.00 -3.08 132.00 136.09 2dk2 h PRO 9 Ca -0.48 -0.10 0.12 0.00 -0.87 0.00 0.00 66.00 64.67 2dk2 h PRO 9 Cb 1.20 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.32 2dk2 h PRO 9 CO 0.64 0.62 0.37 0.93 -0.23 0.00 0.00 178.00 180.33 2dk2 h GLU 10 N -0.24 0.00 0.02 0.86 5.08 -1.95 0.17 114.58 118.52 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 0.59 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 0.00 179.01 178.28 2dk2 h VAL 11 N 0.00 0.00 -0.07 3.13 2.07 -1.95 -1.79 116.25 117.65 2dk2 h VAL 11 Ca 0.20 0.00 -0.19 0.00 0.82 0.00 0.00 66.70 67.53 2dk2 h VAL 11 Cb 0.94 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 2dk2 h VAL 11 CO -0.00 0.00 -0.75 0.24 0.02 0.00 0.00 177.57 177.08 2dk2 h MET 12 N -0.06 0.38 -0.82 1.57 2.86 -1.64 -3.12 114.93 114.10 2dk2 h MET 12 Ca -0.00 -0.32 0.24 0.00 -2.06 0.00 0.00 59.70 57.55 2dk2 h MET 12 Cb 0.05 0.07 -0.03 0.00 0.06 0.00 0.00 31.60 31.75 2dk2 h MET 12 CO -0.01 0.97 0.59 0.00 1.06 0.00 0.00 176.91 179.52 2dk2 h ALA 13 N 0.94 2.78 -0.14 6.32 0.00 -0.66 0.14 119.26 128.63 2dk2 h ALA 13 Ca -0.03 -0.03 -0.22 0.00 0.00 0.00 0.00 54.91 54.63 2dk2 h ALA 13 Cb 1.33 0.06 0.01 0.00 0.00 0.00 0.00 17.79 19.19 2dk2 h ALA 13 CO 0.13 -1.01 -0.79 -0.22 0.00 0.00 0.00 179.25 177.36 2dk2 h LYS 14 N 0.00 0.76 -6.16 0.00 3.64 -1.25 -3.44 116.57 110.12 2dk2 h LYS 14 Ca 0.39 -0.63 -0.63 0.00 -1.27 0.00 0.00 60.65 58.52 2dk2 h LYS 14 Cb 1.57 0.13 0.01 0.00 -0.41 0.00 0.00 32.23 33.53 2dk2 h LYS 14 CO -0.01 1.23 1.23 0.28 -2.27 0.00 0.00 179.45 179.92 2dk2 n VAL 15 N -3.92 0.45 -1.41 2.00 0.31 0.48 -4.83 118.33 111.41 2dk2 n VAL 15 Ca -0.07 -0.20 0.07 0.00 -0.01 0.00 0.00 64.34 64.13 2dk2 n VAL 15 Cb 0.75 -1.92 0.18 0.00 -0.91 0.00 0.00 33.84 31.94 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 7.33 1.44 -4.35 5.55 2.85 -1.26 -4.87 118.16 124.85 2dk2 n LYS 16 Ca 0.28 -3.00 -0.21 0.00 -1.05 0.00 0.00 58.31 54.33 2dk2 n LYS 16 Cb 0.30 -1.55 -0.16 0.00 -0.65 0.00 0.00 35.03 32.97 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 -3.05 0.75 -0.17 0.58 1.01 -1.26 -4.20 120.40 114.06 2dk2 s VAL 17 Ca 0.35 -0.31 -0.07 0.00 0.00 0.00 0.00 61.98 61.96 2dk2 s VAL 17 Cb 0.33 -0.70 -0.04 0.00 0.00 0.00 0.00 36.38 35.97 2dk2 s VAL 17 CO -0.03 0.25 0.06 -0.76 0.00 0.00 0.00 175.10 174.62 2dk2 s LEU 18 N 0.45 3.85 -0.56 3.92 1.43 -1.25 -3.13 118.68 123.37 2dk2 s LEU 18 Ca -0.07 0.12 -0.15 0.00 -1.03 0.00 0.00 54.13 53.00 2dk2 s LEU 18 Cb -0.11 -1.96 0.14 0.00 0.03 0.00 0.00 46.19 44.28 2dk2 s LEU 18 CO 0.01 0.21 0.51 0.12 0.23 0.00 0.00 176.35 177.44 2dk2 s PHE 19 N 0.14 3.31 -0.40 0.29 5.36 -0.69 -4.21 117.98 121.78 2dk2 s PHE 19 Ca 0.05 -1.40 -0.23 0.00 -0.96 0.00 0.00 56.93 54.39 2dk2 s PHE 19 Cb -0.12 -3.78 0.02 0.00 -0.34 0.00 0.00 43.02 38.79 2dk2 s PHE 19 CO 0.01 -1.01 0.80 0.08 -1.46 0.00 0.00 175.22 173.63 2dk2 s VAL 20 N 1.45 4.68 0.28 3.12 1.01 -1.24 -1.38 120.40 128.32 2dk2 s VAL 20 Ca 0.05 0.72 0.06 0.00 0.00 0.00 0.00 61.98 62.81 2dk2 s VAL 20 Cb -0.28 -4.27 -0.02 0.00 0.00 0.00 0.00 36.38 31.81 2dk2 s VAL 20 CO 0.02 -0.56 0.34 -0.13 0.00 0.00 0.00 175.10 174.77 2dk2 s ARG 21 N 3.22 3.12 -0.52 2.72 1.81 0.22 -1.80 118.95 127.72 2dk2 s ARG 21 Ca 0.31 -0.98 -0.15 0.00 -1.72 0.00 0.00 55.73 53.19 2dk2 s ARG 21 Cb -0.13 -2.73 0.02 0.00 -0.45 0.00 0.00 34.95 31.66 2dk2 s ARG 21 CO 0.20 0.26 0.63 0.09 -0.68 0.00 0.00 175.30 175.80 2dk2 n ASN 22 N -1.42 -7.40 -4.93 0.23 3.02 -1.20 -0.46 115.26 103.11 2dk2 n ASN 22 Ca -0.05 0.23 -0.21 0.00 -0.03 0.00 0.00 54.58 54.52 2dk2 n ASN 22 Cb 0.58 -4.63 -0.01 0.00 -0.61 0.00 0.00 39.78 35.12 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 -3.00 3.27 0.17 3.41 1.02 -0.44 -4.02 118.68 119.10 2dk2 s LEU 23 Ca 0.20 -0.79 -0.11 0.00 0.02 0.00 0.00 54.13 53.45 2dk2 s LEU 23 Cb -0.05 -1.94 -0.07 0.00 0.02 0.00 0.00 46.19 44.15 2dk2 s LEU 23 CO 0.79 -0.85 0.52 0.00 0.02 0.00 0.00 176.35 176.83 2dk2 s ALA 24 N -2.53 3.61 -0.15 4.21 0.00 -1.26 -5.00 121.76 120.63 2dk2 s ALA 24 Ca 0.49 -0.25 0.17 0.00 0.00 0.00 0.00 51.96 52.37 2dk2 s ALA 24 Cb -0.04 -2.43 -0.04 0.00 0.00 0.00 0.00 23.12 20.61 2dk2 s ALA 24 CO 0.29 0.51 1.09 1.79 0.00 0.00 0.00 175.76 179.44 2dk2 h THR 25 N 2.43 0.57 0.00 0.00 1.35 -1.99 -3.32 112.91 111.94 2dk2 h THR 25 Ca -0.48 -1.95 -0.21 0.00 -0.55 0.00 0.00 66.41 63.22 2dk2 h THR 25 Cb 1.18 2.12 -0.03 0.00 -1.73 0.00 0.00 68.15 69.69 2dk2 h THR 25 CO 0.68 0.32 -1.01 0.71 -0.25 0.00 0.00 175.52 175.97 2dk2 h THR 26 N 0.00 1.67 -4.14 6.82 1.35 -2.00 -3.46 112.91 113.15 2dk2 h THR 26 Ca -0.08 -3.38 -0.50 0.00 -0.55 0.00 0.00 66.41 61.89 2dk2 h THR 26 Cb 1.44 2.83 0.17 0.00 -1.73 0.00 0.00 68.15 70.85 2dk2 h THR 26 CO 0.05 0.95 0.24 0.68 -0.25 0.00 0.00 175.52 177.19 2dk2 s VAL 27 N -2.71 2.61 0.28 6.82 -7.23 -1.25 -5.06 120.40 113.86 2dk2 s VAL 27 Ca 0.01 0.20 0.06 0.00 -1.81 0.00 0.00 61.98 60.43 2dk2 s VAL 27 Cb 0.10 -2.48 -0.06 0.00 0.56 0.00 0.00 36.38 34.50 2dk2 s VAL 27 CO 0.82 -0.26 -0.03 0.28 -0.31 0.00 0.00 175.10 175.60 2dk2 s THR 28 N -2.78 1.48 0.57 5.32 -1.32 -1.26 -4.99 115.64 112.66 2dk2 s THR 28 Ca 0.64 -2.09 0.27 0.00 -1.21 0.00 0.00 61.69 59.31 2dk2 s THR 28 Cb -0.20 -2.49 0.38 0.00 -1.51 0.00 0.00 72.50 68.67 2dk2 s THR 28 CO 0.58 -0.25 2.01 -0.33 -2.21 0.00 0.00 174.62 174.41 2dk2 h GLU 29 N 2.28 0.00 0.41 7.08 5.08 -1.99 -1.99 114.58 125.45 2dk2 h GLU 29 Ca -0.40 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 57.94 2dk2 h GLU 29 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 2dk2 h GLU 29 CO 0.67 0.00 -0.20 1.49 -1.00 0.00 0.00 179.01 179.98 2dk2 h GLU 30 N 0.00 -0.53 0.00 2.33 4.22 -1.99 -2.29 114.58 116.32 2dk2 h GLU 30 Ca 0.18 0.04 0.03 0.00 0.08 0.00 0.00 59.36 59.68 2dk2 h GLU 30 Cb 0.85 0.12 -0.04 0.00 0.50 0.00 0.00 28.75 30.18 2dk2 h GLU 30 CO -0.00 -0.22 -0.24 0.82 -2.18 0.00 0.00 179.01 177.19 2dk2 h ILE 31 N -0.86 0.45 -0.92 2.32 2.04 -1.78 -0.75 117.51 118.01 2dk2 h ILE 31 Ca -0.06 0.00 0.20 0.00 1.00 0.00 0.00 64.86 66.00 2dk2 h ILE 31 Cb 0.55 0.45 -0.07 0.00 -0.74 0.00 0.00 36.82 37.00 2dk2 h ILE 31 CO 0.09 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.77 2dk2 h LEU 32 N -0.38 0.48 -0.19 1.44 3.38 -1.52 0.08 115.31 118.60 2dk2 h LEU 32 Ca 0.06 0.05 -0.07 0.00 0.09 0.00 0.00 57.88 58.01 2dk2 h LEU 32 Cb 0.46 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dk2 h LEU 32 CO -0.21 0.20 -0.15 -0.33 0.09 0.00 0.00 178.44 178.03 2dk2 h GLU 33 N 0.48 0.44 0.00 1.13 5.08 -0.64 -2.96 114.58 118.12 2dk2 h GLU 33 Ca 0.48 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.59 2dk2 h GLU 33 Cb 1.09 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 2dk2 h GLU 33 CO -0.21 0.77 -0.15 0.87 -1.00 0.00 0.00 179.01 179.30 2dk2 h LYS 34 N 0.12 0.00 0.42 2.33 1.57 0.26 0.24 116.57 121.50 2dk2 h LYS 34 Ca 0.04 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 2dk2 h LYS 34 Cb 0.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.99 2dk2 h LYS 34 CO 0.04 0.15 -0.20 1.03 -0.57 0.00 0.00 179.45 179.89 2dk2 h SER 35 N 0.00 -0.48 1.15 0.86 0.87 -0.89 -3.07 113.55 111.99 2dk2 h SER 35 Ca -0.00 -0.08 -0.15 0.00 -1.23 0.00 0.00 61.79 60.33 2dk2 h SER 35 Cb 0.35 0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 62.41 2dk2 h SER 35 CO 0.02 -0.19 -0.71 -0.26 -0.53 0.00 0.00 176.83 175.16 2dk2 h PHE 36 N -0.77 0.00 -0.28 2.24 0.04 -1.46 -3.21 116.94 113.51 2dk2 h PHE 36 Ca -0.06 0.00 0.08 0.00 2.80 0.00 0.00 57.97 60.79 2dk2 h PHE 36 Cb 0.53 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.67 2dk2 h PHE 36 CO -0.00 0.71 0.28 1.03 -0.60 0.00 0.00 178.31 179.73 2dk2 h SER 37 N 0.00 0.00 0.64 2.17 0.87 -0.51 0.25 113.55 116.97 2dk2 h SER 37 Ca -0.01 0.00 -0.06 0.00 -1.23 0.00 0.00 61.79 60.49 2dk2 h SER 37 Cb 1.48 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.43 2dk2 h SER 37 CO 0.09 0.00 -0.29 -0.33 -0.53 0.00 0.00 176.83 175.77 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.53 -3.24 114.58 117.12 2dk2 h GLU 38 Ca 0.13 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.38 2dk2 h GLU 38 Cb 0.69 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.93 2dk2 h GLU 38 CO -0.00 0.29 -0.64 0.74 -1.00 0.00 0.00 179.01 178.40 2dk2 h PHE 39 N 0.00 0.00 -2.80 4.33 -1.00 -0.72 -3.50 116.94 113.25 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 0.68 0.00 -0.09 0.00 3.61 0.00 0.00 35.95 40.15 2dk2 h PHE 39 CO 0.00 1.13 0.30 0.20 -1.61 0.00 0.00 178.31 178.33 2dk2 s GLY 40 N -4.50 -0.35 -0.21 -1.45 0.00 -0.90 -5.04 107.32 94.88 2dk2 s GLY 40 Ca -0.23 0.21 -0.28 0.00 0.00 0.00 0.00 44.72 44.42 2dk2 s GLY 40 CO 0.58 0.07 2.22 0.54 0.00 0.00 0.00 173.10 176.51 2dk2 s LYS 41 N -3.66 3.15 1.16 2.90 -0.14 -1.26 -4.13 119.74 117.75 2dk2 s LYS 41 Ca 0.07 2.05 -0.16 0.00 -1.36 0.00 0.00 55.97 56.57 2dk2 s LYS 41 Cb -0.03 -4.37 0.27 0.00 -1.68 0.00 0.00 37.83 32.02 2dk2 s LYS 41 CO -0.03 -2.09 1.06 -0.51 -0.76 0.00 0.00 175.35 173.03 2dk2 s LEU 42 N 8.25 0.75 -0.05 3.17 1.43 -1.26 -3.50 118.68 127.47 2dk2 s LEU 42 Ca 1.01 1.02 -0.02 0.00 -1.03 0.00 0.00 54.13 55.11 2dk2 s LEU 42 Cb -0.33 -2.89 -0.02 0.00 0.03 0.00 0.00 46.19 42.97 2dk2 s LEU 42 CO 0.35 -3.99 -0.06 1.21 0.23 0.00 0.00 176.35 174.10 2dk2 n GLU 43 N -4.72 0.11 -3.65 1.70 0.00 0.84 -4.63 120.64 110.28 2dk2 n GLU 43 Ca 0.08 0.04 -0.01 0.00 0.00 0.00 0.00 57.16 57.27 2dk2 n GLU 43 Cb 0.58 -0.80 -0.07 0.00 0.00 0.00 0.00 31.44 31.15 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 -2.09 0.03 0.12 5.31 6.06 -1.23 -4.93 118.95 122.21 2dk2 s ARG 44 Ca -0.07 0.04 0.11 0.00 -2.50 0.00 0.00 55.73 53.31 2dk2 s ARG 44 Cb 0.02 0.01 -0.04 0.00 0.06 0.00 0.00 34.95 35.01 2dk2 s ARG 44 CO 0.09 -0.00 -0.26 0.08 -2.50 0.00 0.00 175.30 172.70 2dk2 s VAL 45 N 0.38 2.18 -0.08 7.11 1.01 -1.26 -0.77 120.40 128.98 2dk2 s VAL 45 Ca 0.02 -1.70 -0.06 0.00 0.00 0.00 0.00 61.98 60.24 2dk2 s VAL 45 Cb -0.04 -1.93 0.03 0.00 0.00 0.00 0.00 36.38 34.44 2dk2 s VAL 45 CO -0.14 0.10 0.19 -0.75 0.00 0.00 0.00 175.10 174.50 2dk2 s LYS 46 N -1.97 0.20 -0.63 2.72 2.47 -0.32 -4.98 119.74 117.23 2dk2 s LYS 46 Ca 0.13 0.33 -0.22 0.00 -1.56 0.00 0.00 55.97 54.65 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 0.05 -0.07 0.90 0.21 0.16 0.00 0.00 175.35 176.60 2dk2 s LYS 47 N 0.48 3.12 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.72 2dk2 s LYS 47 Ca -0.03 -0.87 0.01 0.00 -0.36 0.00 0.00 55.97 54.72 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 -1.70 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.69 2dk2 s LEU 48 N 3.72 2.60 0.00 5.43 2.01 -1.14 -5.03 118.68 126.28 2dk2 s LEU 48 Ca 0.21 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 53.19 2dk2 s LEU 48 Cb -0.18 -1.21 0.00 0.00 0.01 0.00 0.00 46.19 44.81 2dk2 s LEU 48 CO 0.10 -0.22 0.00 1.17 1.01 0.00 0.00 176.35 178.41 2dk2 n LYS 49 N 4.65 0.00 0.20 1.70 4.81 -1.26 -2.88 118.16 125.38 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -0.87 0.00 0.00 58.31 57.45 2dk2 n LYS 49 Cb 0.44 0.00 0.70 0.00 0.02 0.00 0.00 35.03 36.19 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2dk2 h ASP 50 N 0.00 0.00 -4.91 3.14 5.19 -1.96 -3.43 116.42 114.46 2dk2 h ASP 50 Ca 0.00 0.00 -0.27 0.00 -0.62 0.00 0.00 57.03 56.14 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 -2.44 -1.61 -3.93 4.55 0.18 -1.14 -1.32 117.16 111.45 2dk2 n TYR 51 Ca -0.01 -1.14 -0.08 0.00 1.88 0.00 0.00 57.90 58.54 2dk2 n TYR 51 Cb 0.07 -0.25 -0.08 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 -2.38 -0.01 -0.29 -3.48 0.00 -0.75 -2.87 121.76 111.98 2dk2 s ALA 52 Ca 0.21 -0.75 0.03 0.00 0.00 0.00 0.00 51.96 51.44 2dk2 s ALA 52 Cb -0.02 0.38 0.07 0.00 0.00 0.00 0.00 23.12 23.56 2dk2 s ALA 52 CO 0.13 -0.44 -0.05 -0.06 0.00 0.00 0.00 175.76 175.35 2dk2 s PHE 53 N -3.63 3.40 -0.04 0.00 0.08 -0.46 -3.73 117.98 113.61 2dk2 s PHE 53 Ca 0.04 -2.45 0.06 0.00 0.12 0.00 0.00 56.93 54.70 2dk2 s PHE 53 Cb 0.05 -2.23 -0.02 0.00 -0.57 0.00 0.00 43.02 40.24 2dk2 s PHE 53 CO -0.09 -0.89 -0.20 0.08 -0.10 0.00 0.00 175.22 174.01 2dk2 s VAL 54 N 1.07 2.56 0.14 -0.44 1.01 -1.26 -1.18 120.40 122.31 2dk2 s VAL 54 Ca -0.03 -0.92 0.07 0.00 0.00 0.00 0.00 61.98 61.11 2dk2 s VAL 54 Cb -0.20 -1.95 -0.04 0.00 0.00 0.00 0.00 36.38 34.19 2dk2 s VAL 54 CO -0.05 0.59 -0.06 -1.00 0.00 0.00 0.00 175.10 174.57 2dk2 s HIS 55 N -0.66 2.76 0.16 5.22 3.76 0.05 -3.97 115.29 122.61 2dk2 s HIS 55 Ca 0.11 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 54.95 2dk2 s HIS 55 Cb -0.10 -1.39 -0.04 0.00 1.11 0.00 0.00 32.58 32.16 2dk2 s HIS 55 CO -0.00 0.48 -0.20 -0.06 -0.85 0.00 0.00 174.74 174.11 2dk2 s PHE 56 N -1.50 1.91 0.58 1.40 0.40 -1.26 -0.11 117.98 119.41 2dk2 s PHE 56 Ca 0.24 -0.44 0.28 0.00 -0.60 0.00 0.00 56.93 56.42 2dk2 s PHE 56 Cb -0.10 -0.98 1.56 0.00 0.51 0.00 0.00 43.02 44.01 2dk2 s PHE 56 CO 0.16 0.33 2.03 1.05 0.70 0.00 0.00 175.22 179.49 2dk2 h GLU 57 N 3.44 0.00 0.00 0.44 4.11 -1.82 -3.45 114.58 117.30 2dk2 h GLU 57 Ca -0.44 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 58.98 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 0.48 0.00 0.01 -3.47 0.07 0.00 0.00 179.01 176.09 2dk2 n ASP 58 N -3.88 -0.16 0.03 3.06 -0.08 -1.26 -5.07 116.55 109.19 2dk2 n ASP 58 Ca 0.04 -1.14 -0.20 0.00 -1.51 0.00 0.00 54.79 51.99 2dk2 n ASP 58 Cb 0.46 0.27 -0.14 0.00 2.34 0.00 0.00 41.12 44.05 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 0.25 -0.43 -0.67 1.12 -1.89 -3.31 114.38 109.45 2dk2 h ARG 59 Ca -0.03 -0.43 0.08 0.00 -1.11 0.00 0.00 59.98 58.49 2dk2 h ARG 59 Cb 0.10 0.16 -0.07 0.00 -0.01 0.00 0.00 29.97 30.15 2dk2 h ARG 59 CO 0.03 1.20 0.03 0.78 -3.11 0.00 0.00 179.97 178.91 2dk2 h GLY 60 N -0.39 0.46 1.61 2.80 0.00 -1.94 0.18 103.07 105.80 2dk2 h GLY 60 Ca -0.16 0.03 0.04 0.00 0.00 0.00 0.00 47.33 47.24 2dk2 h GLY 60 CO 0.11 -0.09 0.16 0.00 0.00 0.00 0.00 176.54 176.72 2dk2 h ALA 61 N 1.37 1.72 0.13 3.60 0.00 -1.98 0.16 119.26 124.26 2dk2 h ALA 61 Ca 0.22 -0.00 -0.30 0.00 0.00 0.00 0.00 54.91 54.82 2dk2 h ALA 61 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2dk2 h ALA 61 CO -0.33 -0.23 -1.54 0.00 0.00 0.00 0.00 179.25 177.15 2dk2 h ALA 62 N 1.81 0.19 0.35 0.00 0.00 -0.97 -3.23 119.26 117.41 2dk2 h ALA 62 Ca 0.06 -1.13 -0.02 0.00 0.00 0.00 0.00 54.91 53.83 2dk2 h ALA 62 Cb 0.38 0.49 0.00 0.00 0.00 0.00 0.00 17.79 18.66 2dk2 h ALA 62 CO -0.00 0.91 -0.17 0.28 0.00 0.00 0.00 179.25 180.27 2dk2 h VAL 63 N -0.18 0.59 -0.81 0.00 2.07 0.01 -1.42 116.25 116.50 2dk2 h VAL 63 Ca -0.32 -0.60 0.18 0.00 0.82 0.00 0.00 66.70 66.78 2dk2 h VAL 63 Cb 1.86 0.86 -0.05 0.00 -1.52 0.00 0.00 31.29 32.44 2dk2 h VAL 63 CO 0.09 0.10 0.55 0.50 0.02 0.00 0.00 177.57 178.83 2dk2 h LYS 64 N -0.84 0.33 0.36 1.57 3.64 -0.92 0.24 116.57 120.95 2dk2 h LYS 64 Ca -0.05 -0.02 -0.02 0.00 -1.27 0.00 0.00 60.65 59.29 2dk2 h LYS 64 Cb 0.53 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2dk2 h LYS 64 CO 0.08 0.22 -0.17 0.00 -2.27 0.00 0.00 179.45 177.30 2dk2 h ALA 65 N 1.63 -0.49 -0.27 5.00 0.00 -1.56 -3.19 119.26 120.38 2dk2 h ALA 65 Ca 0.41 -0.16 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2dk2 h ALA 65 Cb 1.08 0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 2dk2 h ALA 65 CO -0.12 -0.49 0.28 1.98 0.00 0.00 0.00 179.25 180.90 2dk2 h MET 66 N -1.06 0.00 -0.61 0.00 1.85 -0.76 0.14 114.93 114.49 2dk2 h MET 66 Ca -0.05 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.08 2dk2 h MET 66 Cb 0.47 0.00 -0.05 0.00 0.43 0.00 0.00 31.60 32.46 2dk2 h MET 66 CO 0.08 0.00 0.35 -0.44 -0.40 0.00 0.00 176.91 176.50 2dk2 h ASP 67 N 0.00 0.55 0.05 1.39 5.19 -0.95 -0.11 116.42 122.54 2dk2 h ASP 67 Ca 0.13 0.02 -0.33 0.00 -0.62 0.00 0.00 57.03 56.23 2dk2 h ASP 67 Cb 0.69 -0.10 -0.03 0.00 0.18 0.00 0.00 39.33 40.07 2dk2 h ASP 67 CO -0.00 0.37 -1.83 -0.62 -3.12 0.00 0.00 179.24 174.04 2dk2 n GLU 68 N -4.78 0.66 -0.34 3.56 1.02 -0.44 -4.27 120.64 116.05 2dk2 n GLU 68 Ca 0.06 0.37 0.11 0.00 -0.02 0.00 0.00 57.16 57.68 2dk2 n GLU 68 Cb 0.12 -1.68 0.28 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.47 0.77 -5.67 3.49 2.86 -0.80 -3.40 114.93 111.71 2dk2 h MET 69 Ca -0.44 -0.05 -0.57 0.00 -2.06 0.00 0.00 59.70 56.58 2dk2 h MET 69 Cb 1.70 -0.17 -0.02 0.00 0.06 0.00 0.00 31.60 33.16 2dk2 h MET 69 CO -0.10 0.51 1.56 -1.71 1.06 0.00 0.00 176.91 178.23 2dk2 n ASN 70 N -4.75 1.88 -0.10 1.22 2.85 -0.06 -1.36 115.26 114.94 2dk2 n ASN 70 Ca 0.21 0.06 0.00 0.00 -0.11 0.00 0.00 54.58 54.74 2dk2 n ASN 70 Cb 0.50 -1.31 0.00 0.00 1.24 0.00 0.00 39.78 40.21 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 0.95 3.82 8.20 0.00 -1.26 -5.00 105.19 118.23 2dk2 n GLY 71 Ca 0.44 -0.12 -0.23 0.00 0.00 0.00 0.00 46.02 46.11 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 -0.83 2.39 -0.39 1.61 -0.14 -0.46 -5.07 119.74 116.84 2dk2 s LYS 72 Ca 0.00 -1.70 0.03 0.00 -1.36 0.00 0.00 55.97 52.94 2dk2 s LYS 72 Cb 0.00 -2.20 0.11 0.00 -1.68 0.00 0.00 37.83 34.06 2dk2 s LYS 72 CO 0.00 -0.20 0.14 -2.00 -0.76 0.00 0.00 175.35 172.54 2dk2 s GLU 73 N -4.05 1.39 -0.21 1.68 2.12 -1.26 -3.27 118.70 115.10 2dk2 s GLU 73 Ca 0.44 -1.90 -0.17 0.00 0.36 0.00 0.00 54.97 53.70 2dk2 s GLU 73 Cb -0.00 -2.80 -0.03 0.00 0.26 0.00 0.00 34.13 31.55 2dk2 s GLU 73 CO 0.25 -1.03 0.48 0.42 -0.54 0.00 0.00 175.26 174.84 2dk2 s ILE 74 N 0.68 5.13 -1.43 -3.70 1.01 -1.07 -4.13 121.20 117.70 2dk2 s ILE 74 Ca 0.13 0.86 -0.04 0.00 0.00 0.00 0.00 60.65 61.60 2dk2 s ILE 74 Cb -0.21 -3.80 0.02 0.00 0.01 0.00 0.00 42.46 38.48 2dk2 s ILE 74 CO -0.08 0.19 0.35 1.21 0.00 0.00 0.00 174.94 176.62 2dk2 n GLU 75 N 4.76 -3.46 -1.55 2.79 4.07 -1.26 -0.40 120.64 125.59 2dk2 n GLU 75 Ca -0.06 0.76 -0.13 0.00 -0.06 0.00 0.00 57.16 57.67 2dk2 n GLU 75 Cb 0.51 -5.50 -0.05 0.00 -0.06 0.00 0.00 31.44 26.34 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 -1.21 1.07 3.14 8.31 0.00 -1.26 -4.99 105.19 110.26 2dk2 n GLY 76 Ca -0.12 -0.41 -0.33 0.00 0.00 0.00 0.00 46.02 45.17 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 -3.41 2.98 -0.55 1.61 0.41 0.46 -5.06 118.70 115.14 2dk2 s GLU 77 Ca 0.00 -0.83 -0.26 0.00 -0.41 0.00 0.00 54.97 53.47 2dk2 s GLU 77 Cb 0.00 -2.48 -0.07 0.00 -1.78 0.00 0.00 34.13 29.80 2dk2 s GLU 77 CO 0.00 -0.10 2.32 -1.21 -0.49 0.00 0.00 175.26 175.78 2dk2 s GLU 78 N 1.03 2.12 0.26 1.61 2.02 -1.26 -2.60 118.70 121.88 2dk2 s GLU 78 Ca -0.02 1.15 -0.16 0.00 0.02 0.00 0.00 54.97 55.96 2dk2 s GLU 78 Cb -0.14 -4.59 -0.08 0.00 0.10 0.00 0.00 34.13 29.41 2dk2 s GLU 78 CO -0.07 -3.35 0.70 0.96 0.02 0.00 0.00 175.26 173.51 2dk2 s ILE 79 N 12.06 4.68 0.23 -1.63 -4.36 -1.20 -4.85 121.20 126.13 2dk2 s ILE 79 Ca 0.92 1.01 0.10 0.00 -0.26 0.00 0.00 60.65 62.42 2dk2 s ILE 79 Cb -0.16 -3.71 -0.04 0.00 1.25 0.00 0.00 42.46 39.80 2dk2 s ILE 79 CO 0.22 0.00 -0.12 -0.70 0.24 0.00 0.00 174.94 174.59 2dk2 s GLU 80 N -2.51 1.95 -0.03 0.37 2.12 0.39 -4.40 118.70 116.58 2dk2 s GLU 80 Ca 0.48 -1.47 -0.03 0.00 0.36 0.00 0.00 54.97 54.31 2dk2 s GLU 80 Cb -0.13 -2.02 0.01 0.00 0.26 0.00 0.00 34.13 32.26 2dk2 s GLU 80 CO 0.19 0.38 0.09 0.42 -0.54 0.00 0.00 175.26 175.80 2dk2 s ILE 81 N -2.08 -0.01 -0.13 -3.70 1.01 -1.26 -0.61 121.20 114.41 2dk2 s ILE 81 Ca 0.27 0.05 -0.11 0.00 0.00 0.00 0.00 60.65 60.86 2dk2 s ILE 81 Cb -0.07 -0.14 0.04 0.00 0.01 0.00 0.00 42.46 42.30 2dk2 s ILE 81 CO 0.16 0.02 0.34 0.68 0.00 0.00 0.00 174.94 176.14 2dk2 s VAL 82 N 0.31 -0.00 0.03 2.92 -7.23 -0.48 -4.97 120.40 110.98 2dk2 s VAL 82 Ca -0.02 0.01 -0.30 0.00 -1.81 0.00 0.00 61.98 59.86 2dk2 s VAL 82 Cb -0.03 -0.48 -0.09 0.00 0.56 0.00 0.00 36.38 36.34 2dk2 s VAL 82 CO -0.01 0.01 1.96 -0.76 -0.31 0.00 0.00 175.10 175.98 2dk2 s LEU 83 N 0.31 4.42 -0.41 1.32 1.43 -1.26 -1.70 118.68 122.79 2dk2 s LEU 83 Ca -0.01 2.64 -0.27 0.00 -1.03 0.00 0.00 54.13 55.46 2dk2 s LEU 83 Cb -0.03 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.68 2dk2 s LEU 83 CO -0.01 -1.06 1.01 0.00 0.23 0.00 0.00 176.35 176.52 2dk2 s ALA 84 N 4.50 3.32 0.38 4.21 0.00 -1.18 -4.89 121.76 128.10 2dk2 s ALA 84 Ca 0.88 -0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.23 2dk2 s ALA 84 Cb -0.42 -3.68 -0.09 0.00 0.00 0.00 0.00 23.12 18.94 2dk2 s ALA 84 CO 0.41 -1.84 0.81 0.15 0.00 0.00 0.00 175.76 175.29 2dk2 s LYS 85 N 3.82 4.01 0.96 0.00 1.02 -1.26 -4.73 119.74 123.55 2dk2 s LYS 85 Ca 0.42 0.75 -0.12 0.00 0.02 0.00 0.00 55.97 57.04 2dk2 s LYS 85 Cb -0.10 -2.35 0.17 0.00 -0.52 0.00 0.00 37.83 35.03 2dk2 s LYS 85 CO 0.23 0.05 1.09 -1.25 -0.92 0.00 0.00 175.35 174.55 2dk2 s PRO 86 N -3.27 0.74 0.26 -1.68 0.04 -1.26 -4.99 135.00 124.85 2dk2 s PRO 86 Ca 0.56 0.63 -0.29 0.00 0.04 0.00 0.00 61.00 61.93 2dk2 s PRO 86 Cb -0.10 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.58 2dk2 s PRO 86 CO 0.20 -2.55 1.26 -1.25 0.04 0.00 0.00 177.00 174.70 2dk2 s PRO 87 N -4.95 4.43 -0.53 0.56 0.04 -1.26 -4.95 135.00 128.34 2dk2 s PRO 87 Ca 0.65 2.05 0.02 0.00 0.04 0.00 0.00 61.00 63.76 2dk2 s PRO 87 Cb -0.18 -3.15 0.52 0.00 0.04 0.00 0.00 34.50 31.73 2dk2 s PRO 87 CO 0.57 -0.12 1.87 -3.47 0.04 0.00 0.00 177.00 175.89 2dk2 n ASP 88 N 1.64 5.81 -3.87 6.66 2.03 -1.26 -4.89 116.55 122.66 2dk2 n ASP 88 Ca 0.02 -3.74 -0.27 0.00 0.52 0.00 0.00 54.79 51.33 2dk2 n ASP 88 Cb 0.43 -0.84 0.02 0.00 -0.72 0.00 0.00 41.12 40.00 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 -0.98 -4.83 -3.13 -0.67 4.76 -1.26 -4.89 118.16 107.15 2dk2 n LYS 89 Ca 0.57 0.56 -0.44 0.00 -2.87 0.00 0.00 58.31 56.13 2dk2 n LYS 89 Cb 1.02 -5.22 0.00 0.00 -1.84 0.00 0.00 35.03 28.99 2dk2 n LYS 89 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 2dk2 n LYS 90 N -4.49 3.72 0.03 1.97 4.76 -1.26 -4.75 118.16 118.15 2dk2 n LYS 90 Ca -0.12 -4.31 -0.17 0.00 -2.87 0.00 0.00 58.31 50.84 2dk2 n LYS 90 Cb 0.60 -2.65 -0.14 0.00 -1.84 0.00 0.00 35.03 30.99 2dk2 n LYS 90 CO 0.00 0.00 0.00 -0.09 -1.37 0.00 0.00 177.40 175.94 2dk2 h ARG 91 N 6.41 0.22 -5.63 1.97 9.65 -2.04 -3.50 114.38 121.47 2dk2 h ARG 91 Ca 0.22 -0.38 -0.02 0.00 -1.10 0.00 0.00 59.98 58.70 2dk2 h ARG 91 Cb 0.80 0.14 0.00 0.00 -1.39 0.00 0.00 29.97 29.52 2dk2 h ARG 91 CO 1.17 1.05 -0.97 0.43 2.80 0.00 0.00 179.97 184.45 2dk2 n SER 92 N -3.40 -7.43 0.00 -3.80 7.64 -1.26 -4.81 113.62 100.56 2dk2 n SER 92 Ca -0.21 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.60 2dk2 n SER 92 Cb 1.05 -3.95 0.00 0.00 -1.01 0.00 0.00 64.21 60.30 2dk2 n SER 92 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2dk2 n GLY 93 N 0.75 0.80 3.55 0.23 0.00 -1.26 -5.01 105.19 104.25 2dk2 n GLY 93 Ca 0.01 -0.74 -0.34 0.00 0.00 0.00 0.00 46.02 44.94 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 -1.77 2.60 -0.33 1.61 0.04 -1.26 -4.95 135.00 130.93 2dk2 s PRO 94 Ca 0.00 0.26 -0.11 0.00 0.04 0.00 0.00 61.00 61.19 2dk2 s PRO 94 Cb 0.00 -4.65 -0.00 0.00 0.04 0.00 0.00 34.50 29.88 2dk2 s PRO 94 CO 0.00 -2.99 0.19 0.45 0.04 0.00 0.00 177.00 174.69 2dk2 s SER 95 N 8.08 5.73 -0.23 6.66 0.15 -1.26 -5.06 113.70 127.77 2dk2 s SER 95 Ca 0.68 -0.59 0.01 0.00 0.70 0.00 0.00 55.95 56.75 2dk2 s SER 95 Cb -0.10 -2.05 0.06 0.00 -1.71 0.00 0.00 66.02 62.22 2dk2 s SER 95 CO 0.12 -0.25 -0.07 -0.55 1.20 0.00 0.00 173.24 173.70 2dk2 s SER 96 N 1.63 3.86 0.00 5.45 0.15 -1.26 -5.27 113.70 118.26 2dk2 s SER 96 Ca 0.05 -1.16 0.00 0.00 0.70 0.00 0.00 55.95 55.53 2dk2 s SER 96 Cb -0.18 -1.23 0.00 0.00 -1.71 0.00 0.00 66.02 62.90 2dk2 s SER 96 CO 0.08 -0.22 0.00 0.61 1.20 0.00 0.00 173.24 174.91