#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dk2 n SER 2 N 0.00 0.15 -4.22 1.61 2.88 -1.26 -5.11 113.62 107.67 2dk2 n SER 2 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 2dk2 n SER 2 Cb 0.00 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.34 2dk2 n SER 2 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dk2 s SER 3 N -4.59 2.04 0.00 -3.46 1.04 -1.26 -5.06 113.70 102.42 2dk2 s SER 3 Ca 0.00 -0.65 0.00 0.00 0.48 0.00 0.00 55.95 55.78 2dk2 s SER 3 Cb 0.00 -0.09 0.00 0.00 0.10 0.00 0.00 66.02 66.03 2dk2 s SER 3 CO 0.00 -0.02 0.00 0.61 0.98 0.00 0.00 173.24 174.81 2dk2 n GLY 4 N 1.20 -1.48 3.10 7.32 0.00 -1.26 -5.12 105.19 108.95 2dk2 n GLY 4 Ca -0.20 0.77 0.01 0.00 0.00 0.00 0.00 46.02 46.60 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 -4.00 -1.11 0.20 1.61 0.15 -1.26 -5.16 113.70 104.12 2dk2 s SER 5 Ca 0.00 0.58 0.09 0.00 0.70 0.00 0.00 55.95 57.32 2dk2 s SER 5 Cb 0.00 1.94 -0.04 0.00 -1.71 0.00 0.00 66.02 66.21 2dk2 s SER 5 CO 0.00 -0.28 -0.05 -0.44 1.20 0.00 0.00 173.24 173.67 2dk2 s SER 6 N 2.79 4.43 0.36 5.45 0.01 -1.26 -5.13 113.70 120.35 2dk2 s SER 6 Ca 0.17 -0.56 -0.17 0.00 1.31 0.00 0.00 55.95 56.71 2dk2 s SER 6 Cb -0.14 -0.81 0.06 0.00 0.21 0.00 0.00 66.02 65.34 2dk2 s SER 6 CO -0.22 0.07 0.82 -0.83 0.41 0.00 0.00 173.24 173.50 2dk2 s GLY 7 N -3.07 0.33 0.53 3.44 0.00 -1.26 -5.17 107.32 102.12 2dk2 s GLY 7 Ca 0.27 -0.69 -0.12 0.00 0.00 0.00 0.00 44.72 44.18 2dk2 s GLY 7 CO 0.17 0.05 0.93 0.99 0.00 0.00 0.00 173.10 175.25 2dk2 s ASP 8 N -3.11 6.41 0.13 1.64 1.11 -1.26 -5.00 116.67 116.60 2dk2 s ASP 8 Ca 0.16 1.34 -0.12 0.00 0.18 0.00 0.00 52.55 54.12 2dk2 s ASP 8 Cb -0.05 -2.42 -0.05 0.00 1.07 0.00 0.00 42.92 41.47 2dk2 s ASP 8 CO 0.11 -0.65 1.47 1.55 1.18 0.00 0.00 175.17 178.82 2dk2 h PRO 9 N 0.45 0.90 -0.98 8.23 0.13 -2.02 -3.16 132.00 135.55 2dk2 h PRO 9 Ca -0.46 -0.47 0.10 0.00 -0.87 0.00 0.00 66.00 64.30 2dk2 h PRO 9 Cb 1.19 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.26 2dk2 h PRO 9 CO 0.62 1.12 0.61 0.93 -0.23 0.00 0.00 178.00 181.05 2dk2 h GLU 10 N 0.70 0.99 -0.81 0.86 4.39 -1.98 0.22 114.58 118.95 2dk2 h GLU 10 Ca 0.06 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.76 2dk2 h GLU 10 Cb 0.95 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 29.32 2dk2 h GLU 10 CO 0.09 0.65 0.49 0.28 -1.16 0.00 0.00 179.01 179.36 2dk2 h VAL 11 N 1.02 1.03 0.00 3.13 2.07 -1.96 -1.85 116.25 119.68 2dk2 h VAL 11 Ca 0.47 -0.31 -0.19 0.00 0.82 0.00 0.00 66.70 67.49 2dk2 h VAL 11 Cb 0.38 0.05 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 2dk2 h VAL 11 CO -0.24 0.16 -0.91 0.24 0.02 0.00 0.00 177.57 176.85 2dk2 h MET 12 N 0.90 0.00 0.00 1.57 2.86 -1.32 -3.23 114.93 115.71 2dk2 h MET 12 Ca 0.35 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.99 2dk2 h MET 12 Cb 0.17 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.83 2dk2 h MET 12 CO -0.17 0.91 -0.03 0.00 1.06 0.00 0.00 176.91 178.68 2dk2 h ALA 13 N 1.09 1.88 -0.35 6.32 0.00 0.19 -1.61 119.26 126.78 2dk2 h ALA 13 Ca -0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2dk2 h ALA 13 Cb 1.66 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 2dk2 h ALA 13 CO 0.12 0.03 -0.11 -0.22 0.00 0.00 0.00 179.25 179.08 2dk2 h LYS 14 N 0.00 0.59 -6.67 0.00 3.64 -1.45 -3.43 116.57 109.26 2dk2 h LYS 14 Ca -0.00 -0.17 -0.52 0.00 -1.27 0.00 0.00 60.65 58.68 2dk2 h LYS 14 Cb 0.05 -0.06 0.06 0.00 -0.41 0.00 0.00 32.23 31.86 2dk2 h LYS 14 CO 0.00 0.69 0.92 0.08 -2.27 0.00 0.00 179.45 178.88 2dk2 s VAL 15 N -4.78 2.31 0.00 2.00 1.01 -0.61 -4.89 120.40 115.45 2dk2 s VAL 15 Ca -0.08 0.23 0.14 0.00 0.00 0.00 0.00 61.98 62.28 2dk2 s VAL 15 Cb 0.14 -3.15 0.23 0.00 0.00 0.00 0.00 36.38 33.61 2dk2 s VAL 15 CO 0.79 0.02 1.07 2.29 0.00 0.00 0.00 175.10 179.27 2dk2 n LYS 16 N 3.57 0.00 -3.80 2.72 2.85 -1.26 -4.58 118.16 117.66 2dk2 n LYS 16 Ca 0.13 -1.50 -0.26 0.00 -1.05 0.00 0.00 58.31 55.64 2dk2 n LYS 16 Cb 0.37 -0.14 -0.17 0.00 -0.65 0.00 0.00 35.03 34.44 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 0.62 -0.22 0.58 1.01 -1.26 -3.72 120.40 117.41 2dk2 s VAL 17 Ca 0.18 -0.24 -0.18 0.00 0.00 0.00 0.00 61.98 61.74 2dk2 s VAL 17 Cb 0.21 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.70 2dk2 s VAL 17 CO -0.09 0.12 0.50 -0.76 0.00 0.00 0.00 175.10 174.88 2dk2 s LEU 18 N 1.85 4.12 -0.72 3.92 1.43 -1.25 -2.96 118.68 125.07 2dk2 s LEU 18 Ca 0.03 0.61 -0.22 0.00 -1.03 0.00 0.00 54.13 53.52 2dk2 s LEU 18 Cb -0.14 -2.67 0.08 0.00 0.03 0.00 0.00 46.19 43.49 2dk2 s LEU 18 CO -0.07 -0.20 1.01 0.12 0.23 0.00 0.00 176.35 177.45 2dk2 s PHE 19 N 1.79 2.74 -0.28 0.29 5.36 0.13 -4.25 117.98 123.77 2dk2 s PHE 19 Ca 0.23 -0.71 -0.22 0.00 -0.96 0.00 0.00 56.93 55.27 2dk2 s PHE 19 Cb -0.15 -4.31 -0.01 0.00 -0.34 0.00 0.00 43.02 38.21 2dk2 s PHE 19 CO 0.09 -1.64 0.69 0.08 -1.46 0.00 0.00 175.22 172.99 2dk2 s VAL 20 N 3.87 4.91 0.41 3.12 1.01 -1.24 -1.21 120.40 131.27 2dk2 s VAL 20 Ca 0.25 1.13 0.08 0.00 0.00 0.00 0.00 61.98 63.44 2dk2 s VAL 20 Cb -0.14 -4.02 -0.02 0.00 0.00 0.00 0.00 36.38 32.20 2dk2 s VAL 20 CO 0.06 -0.09 0.38 -0.13 0.00 0.00 0.00 175.10 175.32 2dk2 s ARG 21 N 2.67 2.54 -0.65 2.72 0.52 0.42 -1.66 118.95 125.52 2dk2 s ARG 21 Ca 0.28 -1.52 -0.09 0.00 -0.52 0.00 0.00 55.73 53.88 2dk2 s ARG 21 Cb -0.15 -2.39 0.01 0.00 0.52 0.00 0.00 34.95 32.95 2dk2 s ARG 21 CO 0.10 -0.18 0.65 0.09 0.02 0.00 0.00 175.30 175.98 2dk2 n ASN 22 N -1.54 -6.86 -5.02 0.23 3.02 -1.20 -0.78 115.26 103.11 2dk2 n ASN 22 Ca 0.03 -0.15 -0.20 0.00 -0.03 0.00 0.00 54.58 54.24 2dk2 n ASN 22 Cb 0.62 -4.02 0.06 0.00 -0.61 0.00 0.00 39.78 35.82 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 -3.70 3.14 0.05 3.41 1.02 -0.74 -3.86 118.68 118.00 2dk2 s LEU 23 Ca 0.11 -0.80 0.04 0.00 0.02 0.00 0.00 54.13 53.50 2dk2 s LEU 23 Cb -0.02 -1.72 -0.04 0.00 0.02 0.00 0.00 46.19 44.43 2dk2 s LEU 23 CO 0.81 -1.32 -0.04 0.00 0.02 0.00 0.00 176.35 175.81 2dk2 s ALA 24 N -2.67 3.15 -0.15 4.21 0.00 -1.26 -5.02 121.76 120.02 2dk2 s ALA 24 Ca 0.62 -1.09 0.16 0.00 0.00 0.00 0.00 51.96 51.65 2dk2 s ALA 24 Cb -0.06 -1.14 -0.02 0.00 0.00 0.00 0.00 23.12 21.89 2dk2 s ALA 24 CO 0.39 0.66 1.15 1.15 0.00 0.00 0.00 175.76 179.10 2dk2 h THR 25 N 3.29 0.63 0.00 0.00 2.02 -1.99 -3.30 112.91 113.55 2dk2 h THR 25 Ca -0.48 -2.01 -0.14 0.00 0.77 0.00 0.00 66.41 64.55 2dk2 h THR 25 Cb 1.17 2.18 -0.02 0.00 -1.74 0.00 0.00 68.15 69.74 2dk2 h THR 25 CO 0.56 0.36 -0.66 0.71 0.37 0.00 0.00 175.52 176.86 2dk2 h THR 26 N 0.00 1.47 -4.31 3.16 1.35 -1.98 -3.45 112.91 109.15 2dk2 h THR 26 Ca -0.07 -2.26 -0.50 0.00 -0.55 0.00 0.00 66.41 63.03 2dk2 h THR 26 Cb 1.44 2.22 0.10 0.00 -1.73 0.00 0.00 68.15 70.18 2dk2 h THR 26 CO 0.05 0.64 0.35 0.68 -0.25 0.00 0.00 175.52 177.00 2dk2 s VAL 27 N -3.52 3.59 0.23 6.82 -7.23 -1.25 -5.08 120.40 113.97 2dk2 s VAL 27 Ca -0.01 0.52 0.05 0.00 -1.81 0.00 0.00 61.98 60.73 2dk2 s VAL 27 Cb 0.12 -3.24 -0.05 0.00 0.56 0.00 0.00 36.38 33.77 2dk2 s VAL 27 CO 0.77 -0.67 -0.05 0.28 -0.31 0.00 0.00 175.10 175.11 2dk2 s THR 28 N -3.08 1.31 0.54 5.32 -1.32 -1.26 -4.98 115.64 112.17 2dk2 s THR 28 Ca 0.59 -2.08 0.29 0.00 -1.21 0.00 0.00 61.69 59.28 2dk2 s THR 28 Cb -0.14 -2.27 0.45 0.00 -1.51 0.00 0.00 72.50 69.02 2dk2 s THR 28 CO 0.55 -0.41 1.93 -0.33 -2.21 0.00 0.00 174.62 174.15 2dk2 h GLU 29 N 2.47 0.00 -0.50 7.08 5.08 -1.98 0.80 114.58 127.53 2dk2 h GLU 29 Ca -0.38 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 57.91 2dk2 h GLU 29 Cb 1.22 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.45 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 0.84 0.17 2.33 4.81 -1.98 -1.64 114.58 119.10 2dk2 h GLU 30 Ca 0.35 -0.24 -0.01 0.00 -0.13 0.00 0.00 59.36 59.33 2dk2 h GLU 30 Cb 1.43 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 30.72 2dk2 h GLU 30 CO -0.00 0.84 -0.08 0.82 -0.73 0.00 0.00 179.01 179.86 2dk2 h ILE 31 N 0.71 0.94 -0.61 2.32 2.04 -1.27 -2.53 117.51 119.10 2dk2 h ILE 31 Ca 0.15 -0.97 0.16 0.00 1.00 0.00 0.00 64.86 65.20 2dk2 h ILE 31 Cb 0.43 1.48 -0.03 0.00 -0.74 0.00 0.00 36.82 37.96 2dk2 h ILE 31 CO 0.01 0.21 0.43 -0.07 0.00 0.00 0.00 178.15 178.73 2dk2 h LEU 32 N -0.73 0.07 -0.42 1.44 3.38 -1.38 0.29 115.31 117.95 2dk2 h LEU 32 Ca -0.02 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.80 2dk2 h LEU 32 Cb 0.51 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 2dk2 h LEU 32 CO 0.04 0.04 -0.71 -0.33 0.09 0.00 0.00 178.44 177.56 2dk2 h GLU 33 N 0.07 0.00 0.00 1.13 5.08 -1.24 -3.16 114.58 116.46 2dk2 h GLU 33 Ca 0.29 0.00 -0.14 0.00 -1.00 0.00 0.00 59.36 58.51 2dk2 h GLU 33 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 2dk2 h GLU 33 CO -0.02 0.71 -0.83 0.87 -1.00 0.00 0.00 179.01 178.74 2dk2 h LYS 34 N 0.00 0.00 0.38 2.33 1.57 -0.09 -2.53 116.57 118.23 2dk2 h LYS 34 Ca -0.01 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.75 2dk2 h LYS 34 Cb 1.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.66 2dk2 h LYS 34 CO 0.09 0.53 -0.18 0.77 -0.57 0.00 0.00 179.45 180.09 2dk2 h SER 35 N 0.00 -0.43 0.75 0.86 0.02 -0.91 -3.13 113.55 110.72 2dk2 h SER 35 Ca -0.05 -0.12 -0.13 0.00 -0.84 0.00 0.00 61.79 60.65 2dk2 h SER 35 Cb 1.51 0.11 -0.02 0.00 0.14 0.00 0.00 62.40 64.15 2dk2 h SER 35 CO 0.07 -0.11 -0.61 -0.26 -1.14 0.00 0.00 176.83 174.79 2dk2 h PHE 36 N -0.78 0.00 -0.30 3.45 0.04 -1.69 -3.05 116.94 114.61 2dk2 h PHE 36 Ca -0.05 0.00 0.09 0.00 2.80 0.00 0.00 57.97 60.81 2dk2 h PHE 36 Cb 0.52 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.66 2dk2 h PHE 36 CO 0.01 0.61 0.30 1.03 -0.60 0.00 0.00 178.31 179.66 2dk2 h SER 37 N 0.00 0.00 0.20 2.17 0.87 -1.42 0.15 113.55 115.51 2dk2 h SER 37 Ca -0.01 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.51 2dk2 h SER 37 Cb 1.15 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 63.10 2dk2 h SER 37 CO 0.08 0.00 -0.20 -0.33 -0.53 0.00 0.00 176.83 175.85 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.48 -3.16 114.58 117.26 2dk2 h GLU 38 Ca 0.14 -0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.39 2dk2 h GLU 38 Cb 0.74 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2dk2 h GLU 38 CO -0.00 0.20 -0.64 0.74 -1.00 0.00 0.00 179.01 178.31 2dk2 h PHE 39 N 0.00 0.00 -2.54 4.33 0.04 -0.91 -3.49 116.94 114.37 2dk2 h PHE 39 Ca -0.00 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 2dk2 h PHE 39 Cb 0.35 0.00 -0.16 0.00 2.20 0.00 0.00 35.95 38.34 2dk2 h PHE 39 CO 0.00 1.13 0.18 0.20 -0.60 0.00 0.00 178.31 179.22 2dk2 s GLY 40 N -4.49 -0.58 -0.43 -1.45 0.00 -0.97 -5.02 107.32 94.38 2dk2 s GLY 40 Ca -0.23 0.86 -0.30 0.00 0.00 0.00 0.00 44.72 45.06 2dk2 s GLY 40 CO 0.58 0.53 2.34 0.28 0.00 0.00 0.00 173.10 176.82 2dk2 n LYS 41 N 0.28 1.18 -0.40 2.90 4.76 -1.26 -4.09 118.16 121.53 2dk2 n LYS 41 Ca -0.18 0.22 -0.29 0.00 -2.87 0.00 0.00 58.31 55.18 2dk2 n LYS 41 Cb 0.61 -2.93 0.28 0.00 -1.84 0.00 0.00 35.03 31.15 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 9.58 -0.36 -0.04 -0.35 1.43 -1.26 -3.80 118.68 123.87 2dk2 s LEU 42 Ca 1.06 1.17 -0.01 0.00 -1.03 0.00 0.00 54.13 55.31 2dk2 s LEU 42 Cb -0.51 -2.78 -0.02 0.00 0.03 0.00 0.00 46.19 42.90 2dk2 s LEU 42 CO 0.37 -4.95 -0.05 1.21 0.23 0.00 0.00 176.35 173.16 2dk2 n GLU 43 N -5.39 0.09 -3.65 1.70 0.00 0.82 -4.68 120.64 109.53 2dk2 n GLU 43 Ca 0.08 0.03 -0.02 0.00 0.00 0.00 0.00 57.16 57.25 2dk2 n GLU 43 Cb 0.57 -0.79 -0.07 0.00 0.00 0.00 0.00 31.44 31.16 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 -2.08 0.16 0.09 5.31 3.52 -1.24 -4.93 118.95 119.78 2dk2 s ARG 44 Ca -0.06 0.23 0.10 0.00 -0.13 0.00 0.00 55.73 55.87 2dk2 s ARG 44 Cb 0.02 0.06 -0.03 0.00 -1.56 0.00 0.00 34.95 33.44 2dk2 s ARG 44 CO 0.08 -0.03 -0.26 0.08 -0.81 0.00 0.00 175.30 174.37 2dk2 s VAL 45 N 0.58 2.12 -0.05 7.11 1.01 -1.26 -0.62 120.40 129.29 2dk2 s VAL 45 Ca -0.01 -1.56 -0.04 0.00 0.00 0.00 0.00 61.98 60.37 2dk2 s VAL 45 Cb -0.04 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.51 2dk2 s VAL 45 CO -0.12 0.19 0.14 -0.75 0.00 0.00 0.00 175.10 174.55 2dk2 s LYS 46 N -1.67 0.14 -0.62 2.72 2.47 -0.34 -4.98 119.74 117.45 2dk2 s LYS 46 Ca 0.12 0.24 -0.22 0.00 -1.56 0.00 0.00 55.97 54.55 2dk2 s LYS 46 Cb -0.10 -0.00 0.07 0.00 -1.46 0.00 0.00 37.83 36.34 2dk2 s LYS 46 CO 0.04 -0.06 0.88 0.21 0.16 0.00 0.00 175.35 176.58 2dk2 s LYS 47 N 0.40 3.12 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.64 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 -0.04 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.02 -1.67 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.73 2dk2 s LEU 48 N 3.66 2.59 0.00 5.43 2.01 -1.13 -5.03 118.68 126.21 2dk2 s LEU 48 Ca 0.20 -1.17 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 0.11 -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 0.22 1.70 5.02 -1.26 -2.89 118.16 125.60 2dk2 n LYS 49 Ca -0.12 0.00 0.15 0.00 -2.02 0.00 0.00 58.31 56.32 2dk2 n LYS 49 Cb 0.44 0.00 0.77 0.00 -0.02 0.00 0.00 35.03 36.22 2dk2 n LYS 49 CO 0.00 0.00 0.00 -0.44 -0.52 0.00 0.00 177.40 176.44 2dk2 h ASP 50 N 0.00 0.00 -4.84 4.39 5.19 -1.97 -3.43 116.42 115.76 2dk2 h ASP 50 Ca 0.00 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 56.15 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 -2.53 -1.63 -3.92 4.55 0.18 -1.14 -1.78 117.16 110.89 2dk2 n TYR 51 Ca -0.02 -1.08 -0.08 0.00 1.88 0.00 0.00 57.90 58.60 2dk2 n TYR 51 Cb 0.07 -0.23 -0.08 0.00 -0.38 0.00 0.00 39.34 38.72 2dk2 n TYR 51 CO 0.00 0.00 0.00 0.00 -2.08 0.00 0.00 176.86 174.78 2dk2 s ALA 52 N -2.36 -0.02 -0.29 -3.48 0.00 -0.66 -2.85 121.76 112.09 2dk2 s ALA 52 Ca 0.20 -0.77 0.03 0.00 0.00 0.00 0.00 51.96 51.41 2dk2 s ALA 52 Cb -0.02 0.42 0.07 0.00 0.00 0.00 0.00 23.12 23.59 2dk2 s ALA 52 CO 0.13 -0.46 -0.05 -0.06 0.00 0.00 0.00 175.76 175.31 2dk2 s PHE 53 N -3.82 3.40 -0.02 0.00 0.08 -0.46 -3.71 117.98 113.45 2dk2 s PHE 53 Ca 0.05 -2.46 0.05 0.00 0.12 0.00 0.00 56.93 54.69 2dk2 s PHE 53 Cb 0.05 -2.23 -0.03 0.00 -0.57 0.00 0.00 43.02 40.24 2dk2 s PHE 53 CO -0.10 -0.89 -0.17 0.08 -0.10 0.00 0.00 175.22 174.03 2dk2 s VAL 54 N 1.06 2.86 0.15 -0.44 1.01 -1.26 -1.20 120.40 122.59 2dk2 s VAL 54 Ca -0.03 -0.90 0.08 0.00 0.00 0.00 0.00 61.98 61.12 2dk2 s VAL 54 Cb -0.20 -2.13 -0.04 0.00 0.00 0.00 0.00 36.38 34.01 2dk2 s VAL 54 CO -0.05 0.52 -0.05 -1.00 0.00 0.00 0.00 175.10 174.51 2dk2 s HIS 55 N -0.77 2.76 0.15 5.22 3.76 0.21 -3.87 115.29 122.75 2dk2 s HIS 55 Ca 0.12 -0.16 0.08 0.00 -0.15 0.00 0.00 55.06 54.95 2dk2 s HIS 55 Cb -0.10 -1.37 -0.04 0.00 1.11 0.00 0.00 32.58 32.17 2dk2 s HIS 55 CO 0.02 0.49 -0.17 -0.06 -0.85 0.00 0.00 174.74 174.17 2dk2 s PHE 56 N -1.57 1.67 0.57 1.40 0.40 -1.24 -0.13 117.98 119.08 2dk2 s PHE 56 Ca 0.25 -0.50 0.27 0.00 -0.60 0.00 0.00 56.93 56.36 2dk2 s PHE 56 Cb -0.10 -0.85 1.51 0.00 0.51 0.00 0.00 43.02 44.09 2dk2 s PHE 56 CO 0.16 0.26 2.01 0.93 0.70 0.00 0.00 175.22 179.28 2dk2 h GLU 57 N 3.39 0.00 0.00 0.44 5.08 -1.84 -3.45 114.58 118.20 2dk2 h GLU 57 Ca -0.42 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.95 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 0.50 0.00 0.02 -3.47 -1.00 0.00 0.00 179.01 175.06 2dk2 n ASP 58 N -3.99 -0.11 0.05 1.42 2.03 -1.26 -5.04 116.55 109.65 2dk2 n ASP 58 Ca 0.06 -1.07 -0.09 0.00 0.52 0.00 0.00 54.79 54.21 2dk2 n ASP 58 Cb 0.51 0.18 -0.13 0.00 -0.72 0.00 0.00 41.12 40.97 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 0.06 0.00 -0.67 1.12 -1.82 -3.24 114.38 109.83 2dk2 h ARG 59 Ca -0.02 -0.11 -0.04 0.00 -1.11 0.00 0.00 59.98 58.71 2dk2 h ARG 59 Cb 0.06 0.04 -0.01 0.00 -0.01 0.00 0.00 29.97 30.06 2dk2 h ARG 59 CO 0.02 0.96 -0.17 0.78 -3.11 0.00 0.00 179.97 178.45 2dk2 h GLY 60 N 2.76 0.00 1.69 2.80 0.00 -1.91 0.24 103.07 108.65 2dk2 h GLY 60 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.11 2dk2 h GLY 60 CO 0.14 0.00 -0.79 0.00 0.00 0.00 0.00 176.54 175.89 2dk2 h ALA 61 N 1.83 0.65 0.10 3.60 0.00 -1.97 -2.92 119.26 120.55 2dk2 h ALA 61 Ca -0.00 -0.57 -0.19 0.00 0.00 0.00 0.00 54.91 54.15 2dk2 h ALA 61 Cb 0.33 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.15 2dk2 h ALA 61 CO 0.02 0.72 -0.92 0.00 0.00 0.00 0.00 179.25 179.07 2dk2 h ALA 62 N 1.47 0.04 0.53 0.00 0.00 -1.42 -3.11 119.26 116.76 2dk2 h ALA 62 Ca -0.05 -0.83 -0.03 0.00 0.00 0.00 0.00 54.91 54.00 2dk2 h ALA 62 Cb 1.45 0.26 0.01 0.00 0.00 0.00 0.00 17.79 19.50 2dk2 h ALA 62 CO 0.06 0.49 -0.25 0.28 0.00 0.00 0.00 179.25 179.83 2dk2 h VAL 63 N -0.50 0.36 -0.57 0.00 2.07 -1.11 0.19 116.25 116.69 2dk2 h VAL 63 Ca -0.19 -0.38 0.16 0.00 0.82 0.00 0.00 66.70 67.11 2dk2 h VAL 63 Cb 1.56 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.78 2dk2 h VAL 63 CO 0.07 0.05 0.41 0.50 0.02 0.00 0.00 177.57 178.62 2dk2 h LYS 64 N -0.98 0.04 0.08 1.57 3.11 -1.70 0.24 116.57 118.93 2dk2 h LYS 64 Ca -0.07 -0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.76 2dk2 h LYS 64 Cb 0.62 -0.01 0.00 0.00 -1.00 0.00 0.00 32.23 31.84 2dk2 h LYS 64 CO 0.12 0.03 -0.04 0.00 -2.81 0.00 0.00 179.45 176.75 2dk2 h ALA 65 N 1.71 -0.11 -0.28 5.00 0.00 -1.44 -3.32 119.26 120.82 2dk2 h ALA 65 Ca 0.27 -0.02 0.08 0.00 0.00 0.00 0.00 54.91 55.24 2dk2 h ALA 65 Cb 1.04 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 2dk2 h ALA 65 CO -0.01 -0.11 0.29 1.98 0.00 0.00 0.00 179.25 181.40 2dk2 h MET 66 N -0.95 0.00 -0.31 0.00 1.85 -0.35 0.15 114.93 115.33 2dk2 h MET 66 Ca -0.01 0.00 0.06 0.00 -0.61 0.00 0.00 59.70 59.14 2dk2 h MET 66 Cb 0.08 0.00 -0.06 0.00 0.43 0.00 0.00 31.60 32.05 2dk2 h MET 66 CO 0.02 0.00 -0.06 -0.44 -0.40 0.00 0.00 176.91 176.03 2dk2 h ASP 67 N 0.00 -0.26 0.07 1.39 5.19 -0.61 -0.06 116.42 122.14 2dk2 h ASP 67 Ca 0.14 0.09 -0.34 0.00 -0.62 0.00 0.00 57.03 56.29 2dk2 h ASP 67 Cb 0.71 0.18 -0.03 0.00 0.18 0.00 0.00 39.33 40.37 2dk2 h ASP 67 CO -0.00 -0.09 -1.91 -0.62 -3.12 0.00 0.00 179.24 173.50 2dk2 n GLU 68 N -5.24 0.68 -0.13 3.56 -0.58 -0.70 -4.15 120.64 114.08 2dk2 n GLU 68 Ca 0.00 0.33 0.26 0.00 -0.42 0.00 0.00 57.16 57.34 2dk2 n GLU 68 Cb 0.17 -1.68 0.71 0.00 -0.57 0.00 0.00 31.44 30.08 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 -0.31 0.01 -5.81 3.49 2.86 -0.75 -3.40 114.93 111.01 2dk2 h MET 69 Ca -0.45 -0.00 -0.55 0.00 -2.06 0.00 0.00 59.70 56.65 2dk2 h MET 69 Cb 1.79 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.45 2dk2 h MET 69 CO -0.06 0.01 1.55 -1.71 1.06 0.00 0.00 176.91 177.76 2dk2 n ASN 70 N -4.30 2.72 -0.32 1.22 5.15 -0.04 -2.17 115.26 117.51 2dk2 n ASN 70 Ca 0.16 -0.06 0.00 0.00 -0.60 0.00 0.00 54.58 54.08 2dk2 n ASN 70 Cb 0.86 -1.53 0.00 0.00 -0.53 0.00 0.00 39.78 38.58 2dk2 n ASN 70 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2dk2 n GLY 71 N 5.96 0.65 3.85 8.20 0.00 -1.26 -5.02 105.19 117.57 2dk2 n GLY 71 Ca 0.35 -0.21 -0.22 0.00 0.00 0.00 0.00 46.02 45.94 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 -1.25 2.46 -0.35 1.61 -0.14 -0.92 -5.03 119.74 116.11 2dk2 s LYS 72 Ca 0.00 -1.61 0.02 0.00 -1.36 0.00 0.00 55.97 53.02 2dk2 s LYS 72 Cb 0.00 -2.29 0.10 0.00 -1.68 0.00 0.00 37.83 33.96 2dk2 s LYS 72 CO 0.00 -0.19 0.08 -2.00 -0.76 0.00 0.00 175.35 172.48 2dk2 s GLU 73 N -4.09 1.67 -0.28 1.68 2.12 -1.26 -3.01 118.70 115.53 2dk2 s GLU 73 Ca 0.47 -1.82 -0.08 0.00 0.36 0.00 0.00 54.97 53.90 2dk2 s GLU 73 Cb -0.02 -3.28 -0.02 0.00 0.26 0.00 0.00 34.13 31.08 2dk2 s GLU 73 CO 0.27 -0.94 0.10 0.42 -0.54 0.00 0.00 175.26 174.57 2dk2 s ILE 74 N 0.98 4.36 -1.37 -3.70 1.01 -1.06 -4.47 121.20 116.94 2dk2 s ILE 74 Ca 0.09 -0.34 -0.06 0.00 0.00 0.00 0.00 60.65 60.34 2dk2 s ILE 74 Cb -0.20 -3.14 0.01 0.00 0.01 0.00 0.00 42.46 39.14 2dk2 s ILE 74 CO -0.07 0.20 0.74 1.21 0.00 0.00 0.00 174.94 177.03 2dk2 n GLU 75 N 4.93 -5.49 -1.57 2.79 0.00 -1.26 -1.57 120.64 118.47 2dk2 n GLU 75 Ca -0.15 0.81 -0.17 0.00 0.00 0.00 0.00 57.16 57.65 2dk2 n GLU 75 Cb 0.50 -5.57 -0.07 0.00 0.00 0.00 0.00 31.44 26.30 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 -1.61 1.50 3.21 8.31 0.00 -1.26 -4.98 105.19 110.36 2dk2 n GLY 76 Ca -0.07 -0.20 -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 -3.58 3.07 -0.64 1.61 0.41 -0.61 -5.06 118.70 113.90 2dk2 s GLU 77 Ca 0.00 -0.85 -0.26 0.00 -0.41 0.00 0.00 54.97 53.45 2dk2 s GLU 77 Cb 0.00 -2.41 -0.05 0.00 -1.78 0.00 0.00 34.13 29.89 2dk2 s GLU 77 CO 0.00 0.07 2.05 -1.21 -0.49 0.00 0.00 175.26 175.68 2dk2 s GLU 78 N 0.62 2.41 0.02 1.61 2.02 -1.26 -2.57 118.70 121.55 2dk2 s GLU 78 Ca -0.11 0.67 -0.19 0.00 0.02 0.00 0.00 54.97 55.35 2dk2 s GLU 78 Cb -0.16 -4.57 -0.06 0.00 0.10 0.00 0.00 34.13 29.44 2dk2 s GLU 78 CO 0.03 -3.09 0.55 0.96 0.02 0.00 0.00 175.26 173.72 2dk2 s ILE 79 N 10.44 4.88 0.22 -1.63 -5.25 -1.16 -4.72 121.20 123.97 2dk2 s ILE 79 Ca 0.77 1.15 0.07 0.00 -0.99 0.00 0.00 60.65 61.66 2dk2 s ILE 79 Cb -0.13 -3.88 -0.04 0.00 2.95 0.00 0.00 42.46 41.36 2dk2 s ILE 79 CO 0.18 0.49 0.11 -0.70 -1.79 0.00 0.00 174.94 173.22 2dk2 s GLU 80 N -0.61 2.69 -0.05 0.37 2.12 0.04 -3.90 118.70 119.37 2dk2 s GLU 80 Ca 0.29 -1.10 -0.02 0.00 0.36 0.00 0.00 54.97 54.50 2dk2 s GLU 80 Cb -0.18 -2.46 0.04 0.00 0.26 0.00 0.00 34.13 31.78 2dk2 s GLU 80 CO 0.17 0.42 0.11 0.42 -0.54 0.00 0.00 175.26 175.84 2dk2 s ILE 81 N -2.01 -0.06 -0.02 -3.70 1.01 -1.26 -0.43 121.20 114.72 2dk2 s ILE 81 Ca 0.31 0.20 -0.05 0.00 0.00 0.00 0.00 60.65 61.11 2dk2 s ILE 81 Cb -0.08 -0.19 0.01 0.00 0.01 0.00 0.00 42.46 42.20 2dk2 s ILE 81 CO 0.22 0.08 0.12 0.68 0.00 0.00 0.00 174.94 176.05 2dk2 s VAL 82 N 1.18 0.05 0.09 2.92 -7.23 -0.35 -4.93 120.40 112.13 2dk2 s VAL 82 Ca -0.09 -0.38 -0.31 0.00 -1.81 0.00 0.00 61.98 59.40 2dk2 s VAL 82 Cb -0.12 -0.30 -0.08 0.00 0.56 0.00 0.00 36.38 36.43 2dk2 s VAL 82 CO -0.05 -0.21 1.57 -0.76 -0.31 0.00 0.00 175.10 175.34 2dk2 s LEU 83 N -0.68 4.36 -0.03 1.32 1.43 -1.26 -0.69 118.68 123.13 2dk2 s LEU 83 Ca -0.08 2.46 -0.16 0.00 -1.03 0.00 0.00 54.13 55.32 2dk2 s LEU 83 Cb -0.05 -3.57 -0.05 0.00 0.03 0.00 0.00 46.19 42.55 2dk2 s LEU 83 CO 0.01 -0.82 0.44 0.00 0.23 0.00 0.00 176.35 176.20 2dk2 s ALA 84 N 2.05 3.62 0.13 4.21 0.00 -1.16 -4.86 121.76 125.76 2dk2 s ALA 84 Ca 0.71 -0.19 0.09 0.00 0.00 0.00 0.00 51.96 52.57 2dk2 s ALA 84 Cb -0.39 -2.48 -0.04 0.00 0.00 0.00 0.00 23.12 20.20 2dk2 s ALA 84 CO 0.31 0.33 -0.17 -1.59 0.00 0.00 0.00 175.76 174.65 2dk2 s LYS 85 N -0.59 1.83 0.96 0.00 -2.85 -1.26 -4.80 119.74 113.03 2dk2 s LYS 85 Ca 0.25 -1.22 -0.12 0.00 -1.00 0.00 0.00 55.97 53.88 2dk2 s LYS 85 Cb -0.16 -2.11 0.17 0.00 -2.06 0.00 0.00 37.83 33.66 2dk2 s LYS 85 CO 0.13 0.47 1.09 -1.25 0.10 0.00 0.00 175.35 175.89 2dk2 s PRO 86 N -2.31 0.74 0.37 1.78 0.04 -1.26 -5.00 135.00 129.36 2dk2 s PRO 86 Ca 0.20 0.63 -0.27 0.00 0.04 0.00 0.00 61.00 61.60 2dk2 s PRO 86 Cb -0.10 -1.76 -0.09 0.00 0.04 0.00 0.00 34.50 32.59 2dk2 s PRO 86 CO 0.11 -2.55 1.20 -1.25 0.04 0.00 0.00 177.00 174.56 2dk2 s PRO 87 N -4.95 4.19 0.11 0.56 0.04 -1.26 -5.05 135.00 128.64 2dk2 s PRO 87 Ca 0.65 1.95 0.05 0.00 0.04 0.00 0.00 61.00 63.68 2dk2 s PRO 87 Cb -0.18 -2.84 -0.04 0.00 0.04 0.00 0.00 34.50 31.47 2dk2 s PRO 87 CO 0.57 -0.23 0.03 -0.51 0.04 0.00 0.00 177.00 176.91 2dk2 s ASP 88 N -0.92 5.17 -0.14 6.66 1.01 -1.26 -5.04 116.67 122.14 2dk2 s ASP 88 Ca 0.53 -0.16 -0.06 0.00 0.71 0.00 0.00 52.55 53.57 2dk2 s ASP 88 Cb -0.34 -1.27 -0.07 0.00 1.01 0.00 0.00 42.92 42.26 2dk2 s ASP 88 CO 0.43 0.15 -0.18 1.17 0.21 0.00 0.00 175.17 176.95 2dk2 n LYS 89 N 0.34 0.31 -1.16 8.23 3.00 -1.26 -5.12 118.16 122.49 2dk2 n LYS 89 Ca -0.10 0.13 0.16 0.00 -0.00 0.00 0.00 58.31 58.50 2dk2 n LYS 89 Cb 0.53 -1.05 -0.04 0.00 0.00 0.00 0.00 35.03 34.47 2dk2 n LYS 89 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 2dk2 n LYS 90 N -3.54 -2.33 -1.42 1.64 5.02 -1.26 -4.83 118.16 111.44 2dk2 n LYS 90 Ca -0.28 1.54 -0.30 0.00 -2.02 0.00 0.00 58.31 57.25 2dk2 n LYS 90 Cb 0.71 -2.85 0.11 0.00 -0.02 0.00 0.00 35.03 32.99 2dk2 n LYS 90 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2dk2 s ARG 91 N -1.78 1.67 -0.10 1.97 3.52 -1.26 -5.06 118.95 117.91 2dk2 s ARG 91 Ca 0.00 0.67 0.01 0.00 -0.13 0.00 0.00 55.73 56.28 2dk2 s ARG 91 Cb 0.00 -1.87 0.02 0.00 -1.56 0.00 0.00 34.95 31.54 2dk2 s ARG 91 CO 0.00 -1.92 -0.11 -1.12 -0.81 0.00 0.00 175.30 171.34 2dk2 s SER 92 N -3.73 2.17 0.00 -2.12 0.01 -1.26 -5.00 113.70 103.77 2dk2 s SER 92 Ca 0.62 -0.35 0.00 0.00 1.31 0.00 0.00 55.95 57.53 2dk2 s SER 92 Cb -0.16 -0.93 0.00 0.00 0.21 0.00 0.00 66.02 65.14 2dk2 s SER 92 CO 0.55 -0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.78 2dk2 n GLY 93 N 4.42 -1.05 3.58 3.44 0.00 -1.26 -5.18 105.19 109.15 2dk2 n GLY 93 Ca -0.18 0.42 -0.30 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -1.41 0.51 1.61 0.04 -1.26 -5.08 135.00 129.41 2dk2 s PRO 94 Ca 0.00 -0.13 0.07 0.00 0.04 0.00 0.00 61.00 60.97 2dk2 s PRO 94 Cb 0.00 -1.58 0.03 0.00 0.04 0.00 0.00 34.50 32.99 2dk2 s PRO 94 CO 0.00 -3.82 0.45 -1.12 0.04 0.00 0.00 177.00 172.55 2dk2 s SER 95 N -3.95 4.79 0.38 6.66 0.01 -1.26 -5.04 113.70 115.29 2dk2 s SER 95 Ca 0.72 -1.07 0.00 0.00 1.31 0.00 0.00 55.95 56.91 2dk2 s SER 95 Cb -0.09 0.14 0.00 0.00 0.21 0.00 0.00 66.02 66.28 2dk2 s SER 95 CO 0.56 -1.02 0.00 -1.20 0.41 0.00 0.00 173.24 171.99 2dk2 n SER 96 N -1.77 -8.06 0.00 2.44 7.64 -1.26 -5.35 113.62 107.27 2dk2 n SER 96 Ca 0.02 0.74 0.00 0.00 1.01 0.00 0.00 58.87 60.64 2dk2 n SER 96 Cb 0.63 -4.22 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64