#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 3.17 0.54 1.61 1.04 -1.26 -5.14 113.70 113.66 2dk2 s SER 2 Ca 0.00 -0.45 0.02 0.00 0.48 0.00 0.00 55.95 56.01 2dk2 s SER 2 Cb 0.00 -0.49 0.02 0.00 0.10 0.00 0.00 66.02 65.64 2dk2 s SER 2 CO 0.00 0.31 0.16 -0.44 0.98 0.00 0.00 173.24 174.25 2dk2 s SER 3 N -0.54 4.34 -0.37 7.02 0.01 -1.26 -5.13 113.70 117.78 2dk2 s SER 3 Ca 0.08 -1.54 -0.04 0.00 1.31 0.00 0.00 55.95 55.75 2dk2 s SER 3 Cb -0.11 0.61 0.20 0.00 0.21 0.00 0.00 66.02 66.93 2dk2 s SER 3 CO 0.00 -1.01 0.99 -0.83 0.41 0.00 0.00 173.24 172.80 2dk2 s GLY 4 N -4.06 -1.65 -0.23 3.44 0.00 -1.26 -5.13 107.32 98.43 2dk2 s GLY 4 Ca 0.13 0.66 -0.04 0.00 0.00 0.00 0.00 44.72 45.48 2dk2 s GLY 4 CO 0.08 4.17 0.18 -0.45 0.00 0.00 0.00 173.10 177.08 2dk2 s SER 5 N 1.38 2.17 -0.72 1.64 0.15 -1.26 -5.10 113.70 111.96 2dk2 s SER 5 Ca 0.21 -0.66 -0.27 0.00 0.70 0.00 0.00 55.95 55.93 2dk2 s SER 5 Cb 0.06 0.08 0.03 0.00 -1.71 0.00 0.00 66.02 64.48 2dk2 s SER 5 CO -0.11 -0.37 1.28 -0.44 1.20 0.00 0.00 173.24 174.80 2dk2 s SER 6 N 2.23 6.18 0.00 5.45 0.01 -1.26 -4.81 113.70 121.50 2dk2 s SER 6 Ca 0.07 -0.36 0.00 0.00 1.31 0.00 0.00 55.95 56.96 2dk2 s SER 6 Cb -0.16 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.52 2dk2 s SER 6 CO -0.21 -1.81 0.00 0.61 0.41 0.00 0.00 173.24 172.25 2dk2 n GLY 7 N 5.35 0.85 3.38 3.44 0.00 -1.26 -5.11 105.19 111.84 2dk2 n GLY 7 Ca 0.04 -1.96 -0.22 0.00 0.00 0.00 0.00 46.02 43.88 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 2.99 0.15 1.61 1.11 -1.26 -5.06 116.67 112.22 2dk2 s ASP 8 Ca 0.00 -0.94 -0.10 0.00 0.18 0.00 0.00 52.55 51.70 2dk2 s ASP 8 Cb 0.00 -0.20 -0.01 0.00 1.07 0.00 0.00 42.92 43.78 2dk2 s ASP 8 CO 0.00 -0.02 1.49 1.55 1.18 0.00 0.00 175.17 179.37 2dk2 h PRO 9 N 2.87 0.90 -0.99 8.23 0.13 -1.99 -3.13 132.00 138.02 2dk2 h PRO 9 Ca -0.41 -0.47 0.11 0.00 -0.87 0.00 0.00 66.00 64.35 2dk2 h PRO 9 Cb 1.22 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.29 2dk2 h PRO 9 CO 0.55 1.12 0.63 0.93 -0.23 0.00 0.00 178.00 181.00 2dk2 h GLU 10 N 0.74 0.97 -0.55 0.86 5.08 -1.98 0.55 114.58 120.25 2dk2 h GLU 10 Ca 0.06 -0.06 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 2dk2 h GLU 10 Cb 0.97 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 2dk2 h GLU 10 CO 0.09 0.64 -0.01 0.28 -1.00 0.00 0.00 179.01 179.02 2dk2 h VAL 11 N 1.00 1.26 0.00 3.13 2.07 -1.98 -2.23 116.25 119.50 2dk2 h VAL 11 Ca 0.48 -1.10 -0.09 0.00 0.82 0.00 0.00 66.70 66.81 2dk2 h VAL 11 Cb 0.44 0.84 -0.01 0.00 -1.52 0.00 0.00 31.29 31.04 2dk2 h VAL 11 CO -0.24 0.39 -0.41 0.24 0.02 0.00 0.00 177.57 177.58 2dk2 h MET 12 N 0.87 0.00 0.00 1.57 2.86 -1.16 -2.98 114.93 116.09 2dk2 h MET 12 Ca 0.16 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.70 2dk2 h MET 12 Cb 0.52 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.17 2dk2 h MET 12 CO 0.03 0.41 -0.46 0.00 1.06 0.00 0.00 176.91 177.95 2dk2 h ALA 13 N 1.59 0.79 0.84 6.32 0.00 -0.57 -3.33 119.26 124.90 2dk2 h ALA 13 Ca -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 54.91 54.44 2dk2 h ALA 13 Cb 0.98 -0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.71 2dk2 h ALA 13 CO 0.05 0.58 -0.40 -0.22 0.00 0.00 0.00 179.25 179.26 2dk2 h LYS 14 N 0.00 -1.09 -6.64 0.00 3.11 -1.24 -3.44 116.57 107.28 2dk2 h LYS 14 Ca -0.00 0.07 -0.58 0.00 -2.81 0.00 0.00 60.65 57.33 2dk2 h LYS 14 Cb 1.19 0.25 0.12 0.00 -1.00 0.00 0.00 32.23 32.79 2dk2 h LYS 14 CO 0.06 -0.72 0.27 1.55 -2.81 0.00 0.00 179.45 177.80 2dk2 n VAL 15 N -5.04 2.20 -2.11 2.00 3.14 -1.25 -4.92 118.33 112.36 2dk2 n VAL 15 Ca -0.14 -0.50 0.04 0.00 -2.96 0.00 0.00 64.34 60.78 2dk2 n VAL 15 Cb 0.44 -1.26 0.05 0.00 -1.06 0.00 0.00 33.84 32.02 2dk2 n VAL 15 CO 0.00 0.00 0.00 2.29 -6.46 0.00 0.00 176.83 172.66 2dk2 n LYS 16 N 0.41 0.33 -4.80 1.45 2.85 -1.26 -4.85 118.16 112.29 2dk2 n LYS 16 Ca 0.08 -1.96 -0.26 0.00 -1.05 0.00 0.00 58.31 55.12 2dk2 n LYS 16 Cb 0.36 -0.50 -0.16 0.00 -0.65 0.00 0.00 35.03 34.09 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 -0.70 1.38 -0.10 0.58 1.01 -1.26 -4.28 120.40 117.03 2dk2 s VAL 17 Ca 0.25 -0.68 -0.05 0.00 0.00 0.00 0.00 61.98 61.50 2dk2 s VAL 17 Cb 0.27 -1.20 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 2dk2 s VAL 17 CO -0.09 0.40 0.09 -0.76 0.00 0.00 0.00 175.10 174.74 2dk2 s LEU 18 N 0.12 4.08 -0.51 3.92 1.43 -1.26 -3.41 118.68 123.05 2dk2 s LEU 18 Ca -0.05 0.34 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 2dk2 s LEU 18 Cb -0.12 -1.98 0.13 0.00 0.03 0.00 0.00 46.19 44.25 2dk2 s LEU 18 CO 0.02 0.39 0.38 0.12 0.23 0.00 0.00 176.35 177.49 2dk2 s PHE 19 N -0.98 3.47 -0.43 0.29 5.36 -0.44 -4.22 117.98 121.03 2dk2 s PHE 19 Ca 0.15 -2.04 -0.21 0.00 -0.96 0.00 0.00 56.93 53.87 2dk2 s PHE 19 Cb -0.12 -3.46 0.02 0.00 -0.34 0.00 0.00 43.02 39.12 2dk2 s PHE 19 CO 0.04 -0.98 0.65 0.08 -1.46 0.00 0.00 175.22 173.55 2dk2 s VAL 20 N 1.08 4.83 0.44 3.12 1.01 -1.24 -1.61 120.40 128.04 2dk2 s VAL 20 Ca 0.08 0.20 0.08 0.00 0.00 0.00 0.00 61.98 62.34 2dk2 s VAL 20 Cb -0.24 -4.19 0.01 0.00 0.00 0.00 0.00 36.38 31.96 2dk2 s VAL 20 CO -0.02 -0.56 0.51 -0.60 0.00 0.00 0.00 175.10 174.43 2dk2 s ARG 21 N 2.82 2.63 -0.65 2.72 3.52 -0.17 -0.95 118.95 128.87 2dk2 s ARG 21 Ca 0.23 -1.44 -0.08 0.00 -0.13 0.00 0.00 55.73 54.31 2dk2 s ARG 21 Cb -0.14 -2.56 0.01 0.00 -1.56 0.00 0.00 34.95 30.70 2dk2 s ARG 21 CO 0.18 -0.31 0.65 0.09 -0.81 0.00 0.00 175.30 175.10 2dk2 n ASN 22 N -1.76 -7.02 -4.97 -2.12 3.02 -1.15 -1.23 115.26 100.02 2dk2 n ASN 22 Ca 0.07 -0.10 -0.23 0.00 -0.03 0.00 0.00 54.58 54.29 2dk2 n ASN 22 Cb 0.61 -4.23 0.03 0.00 -0.61 0.00 0.00 39.78 35.58 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 -3.67 2.94 0.03 3.41 1.02 -0.28 -3.98 118.68 118.15 2dk2 s LEU 23 Ca 0.11 -1.02 -0.03 0.00 0.02 0.00 0.00 54.13 53.21 2dk2 s LEU 23 Cb -0.02 -1.46 -0.04 0.00 0.02 0.00 0.00 46.19 44.68 2dk2 s LEU 23 CO 0.80 -1.21 0.23 0.00 0.02 0.00 0.00 176.35 176.19 2dk2 s ALA 24 N -2.70 3.93 -0.15 4.21 0.00 -1.26 -5.01 121.76 120.78 2dk2 s ALA 24 Ca 0.49 -0.72 0.16 0.00 0.00 0.00 0.00 51.96 51.89 2dk2 s ALA 24 Cb -0.04 -1.93 -0.02 0.00 0.00 0.00 0.00 23.12 21.12 2dk2 s ALA 24 CO 0.31 0.74 1.16 1.15 0.00 0.00 0.00 175.76 179.12 2dk2 h THR 25 N 2.55 0.64 0.00 0.00 2.02 -2.00 -3.31 112.91 112.81 2dk2 h THR 25 Ca -0.48 -2.02 -0.19 0.00 0.77 0.00 0.00 66.41 64.49 2dk2 h THR 25 Cb 1.18 2.19 -0.03 0.00 -1.74 0.00 0.00 68.15 69.75 2dk2 h THR 25 CO 0.71 0.36 -0.91 0.71 0.37 0.00 0.00 175.52 176.76 2dk2 h THR 26 N 0.00 1.66 -4.22 3.16 1.35 -2.00 -3.46 112.91 109.40 2dk2 h THR 26 Ca -0.07 -3.13 -0.50 0.00 -0.55 0.00 0.00 66.41 62.16 2dk2 h THR 26 Cb 1.44 2.69 0.14 0.00 -1.73 0.00 0.00 68.15 70.68 2dk2 h THR 26 CO 0.05 0.89 0.29 0.68 -0.25 0.00 0.00 175.52 177.19 2dk2 s VAL 27 N -2.92 3.06 0.24 6.82 -7.23 -1.25 -5.07 120.40 114.06 2dk2 s VAL 27 Ca 0.00 0.35 0.04 0.00 -1.81 0.00 0.00 61.98 60.56 2dk2 s VAL 27 Cb 0.11 -2.83 -0.05 0.00 0.56 0.00 0.00 36.38 34.16 2dk2 s VAL 27 CO 0.81 -0.45 -0.02 0.28 -0.31 0.00 0.00 175.10 175.41 2dk2 s THR 28 N -2.92 1.18 0.58 5.32 -1.32 -1.26 -4.97 115.64 112.24 2dk2 s THR 28 Ca 0.62 -2.05 0.28 0.00 -1.21 0.00 0.00 61.69 59.33 2dk2 s THR 28 Cb -0.17 -2.37 0.36 0.00 -1.51 0.00 0.00 72.50 68.81 2dk2 s THR 28 CO 0.56 -0.32 2.06 -0.33 -2.21 0.00 0.00 174.62 174.38 2dk2 h GLU 29 N 2.43 0.00 -0.26 7.08 5.08 -1.97 0.61 114.58 127.55 2dk2 h GLU 29 Ca -0.39 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 57.87 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 -0.29 1.49 -1.00 0.00 0.00 179.01 179.86 2dk2 h GLU 30 N 0.00 0.52 0.01 2.33 4.81 -1.99 -2.39 114.58 117.87 2dk2 h GLU 30 Ca 0.12 -0.22 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 2dk2 h GLU 30 Cb 0.63 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.99 2dk2 h GLU 30 CO -0.00 0.77 -0.00 0.82 -0.73 0.00 0.00 179.01 179.86 2dk2 h ILE 31 N 0.45 1.57 -0.41 2.32 2.04 -1.31 -3.22 117.51 118.96 2dk2 h ILE 31 Ca 0.06 -2.08 0.12 0.00 1.00 0.00 0.00 64.86 63.96 2dk2 h ILE 31 Cb 0.74 2.93 -0.02 0.00 -0.74 0.00 0.00 36.82 39.73 2dk2 h ILE 31 CO 0.06 0.52 0.37 -0.07 0.00 0.00 0.00 178.15 179.02 2dk2 h LEU 32 N -0.95 0.00 0.29 1.44 3.38 -1.41 -1.65 115.31 116.41 2dk2 h LEU 32 Ca -0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.95 2dk2 h LEU 32 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 2dk2 h LEU 32 CO 0.00 0.00 -0.14 -0.33 0.09 0.00 0.00 178.44 178.06 2dk2 h GLU 33 N 0.00 -0.38 -0.80 1.13 5.08 -1.49 -3.19 114.58 114.93 2dk2 h GLU 33 Ca 0.20 0.03 0.23 0.00 -1.00 0.00 0.00 59.36 58.81 2dk2 h GLU 33 Cb 0.94 0.09 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2dk2 h GLU 33 CO -0.00 -0.25 0.58 0.87 -1.00 0.00 0.00 179.01 179.20 2dk2 h LYS 34 N -0.61 0.00 0.33 2.33 6.56 -1.49 0.26 116.57 123.96 2dk2 h LYS 34 Ca -0.04 -0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.55 2dk2 h LYS 34 Cb 0.30 -0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.93 2dk2 h LYS 34 CO 0.07 0.00 -0.52 0.77 -2.06 0.00 0.00 179.45 177.71 2dk2 h SER 35 N 0.00 -1.48 1.33 0.86 0.02 -1.30 -2.50 113.55 110.48 2dk2 h SER 35 Ca 0.38 0.14 -0.13 0.00 -0.84 0.00 0.00 61.79 61.33 2dk2 h SER 35 Cb 1.53 0.52 -0.02 0.00 0.14 0.00 0.00 62.40 64.57 2dk2 h SER 35 CO -0.01 -0.62 -0.68 -0.26 -1.14 0.00 0.00 176.83 174.13 2dk2 h PHE 36 N -0.90 0.00 -0.40 3.45 0.04 -1.38 -3.25 116.94 114.51 2dk2 h PHE 36 Ca -0.04 0.00 0.12 0.00 2.80 0.00 0.00 57.97 60.85 2dk2 h PHE 36 Cb 0.83 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.96 2dk2 h PHE 36 CO -0.35 0.62 0.36 1.03 -0.60 0.00 0.00 178.31 179.37 2dk2 h SER 37 N 0.00 0.00 0.23 2.17 0.87 -0.26 0.24 113.55 116.80 2dk2 h SER 37 Ca -0.02 0.00 -0.03 0.00 -1.23 0.00 0.00 61.79 60.51 2dk2 h SER 37 Cb 1.49 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.44 2dk2 h SER 37 CO 0.08 0.00 -0.13 -0.33 -0.53 0.00 0.00 176.83 175.92 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.49 -3.08 114.58 117.33 2dk2 h GLU 38 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.47 2dk2 h GLU 38 Cb 0.90 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.14 2dk2 h GLU 38 CO -0.00 0.13 -0.43 0.74 -1.00 0.00 0.00 179.01 178.45 2dk2 h PHE 39 N 0.00 0.00 -3.14 4.33 -1.00 -0.75 -3.49 116.94 112.89 2dk2 h PHE 39 Ca -0.00 0.00 -0.00 0.00 2.81 0.00 0.00 57.97 60.78 2dk2 h PHE 39 Cb 0.29 0.00 -0.10 0.00 3.61 0.00 0.00 35.95 39.75 2dk2 h PHE 39 CO 0.00 1.06 0.13 0.20 -1.61 0.00 0.00 178.31 178.09 2dk2 s GLY 40 N -4.38 -0.29 -0.53 -1.45 0.00 -1.09 -5.06 107.32 94.51 2dk2 s GLY 40 Ca -0.21 0.02 -0.26 0.00 0.00 0.00 0.00 44.72 44.27 2dk2 s GLY 40 CO 0.59 -0.08 2.37 0.54 0.00 0.00 0.00 173.10 176.52 2dk2 s LYS 41 N -3.84 2.08 1.22 2.90 -0.14 -1.26 -4.18 119.74 116.53 2dk2 s LYS 41 Ca 0.06 1.24 -0.18 0.00 -1.36 0.00 0.00 55.97 55.73 2dk2 s LYS 41 Cb -0.02 -4.60 0.26 0.00 -1.68 0.00 0.00 37.83 31.79 2dk2 s LYS 41 CO -0.05 -3.37 0.57 1.28 -0.76 0.00 0.00 175.35 173.02 2dk2 n LEU 42 N 15.99 -1.29 -0.01 3.17 4.77 -1.26 -3.75 117.00 134.61 2dk2 n LEU 42 Ca 0.37 -0.48 -0.02 0.00 -0.03 0.00 0.00 56.01 55.85 2dk2 n LEU 42 Cb 0.53 -0.96 -0.01 0.00 -2.33 0.00 0.00 43.42 40.65 2dk2 n LEU 42 CO 0.69 -3.71 -0.57 1.21 -1.33 0.00 0.00 177.39 173.68 2dk2 n GLU 43 N -3.77 0.04 -3.65 3.23 2.13 0.78 -4.65 120.64 114.76 2dk2 n GLU 43 Ca 0.07 0.02 -0.01 0.00 0.66 0.00 0.00 57.16 57.89 2dk2 n GLU 43 Cb 0.52 -0.71 -0.07 0.00 0.27 0.00 0.00 31.44 31.45 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 -2.04 0.03 0.11 5.31 6.06 -1.24 -4.93 118.95 122.25 2dk2 s ARG 44 Ca -0.03 0.04 0.10 0.00 -2.50 0.00 0.00 55.73 53.34 2dk2 s ARG 44 Cb 0.01 0.01 -0.04 0.00 0.06 0.00 0.00 34.95 34.99 2dk2 s ARG 44 CO 0.04 -0.00 -0.26 0.08 -2.50 0.00 0.00 175.30 172.65 2dk2 s VAL 45 N 0.27 2.16 -0.05 7.11 1.01 -1.26 -0.69 120.40 128.95 2dk2 s VAL 45 Ca 0.04 -1.65 -0.04 0.00 0.00 0.00 0.00 61.98 60.32 2dk2 s VAL 45 Cb -0.04 -1.90 0.02 0.00 0.00 0.00 0.00 36.38 34.46 2dk2 s VAL 45 CO -0.15 0.12 0.14 -0.75 0.00 0.00 0.00 175.10 174.47 2dk2 s LYS 46 N -1.87 0.13 -0.64 2.72 2.47 -0.29 -4.98 119.74 117.28 2dk2 s LYS 46 Ca 0.13 0.25 -0.22 0.00 -1.56 0.00 0.00 55.97 54.56 2dk2 s LYS 46 Cb -0.10 -0.01 0.07 0.00 -1.46 0.00 0.00 37.83 36.33 2dk2 s LYS 46 CO 0.05 -0.07 0.93 0.21 0.16 0.00 0.00 175.35 176.63 2dk2 s LYS 47 N 0.43 3.12 -0.23 4.03 2.20 -1.26 -1.36 119.74 126.67 2dk2 s LYS 47 Ca -0.03 -0.85 0.01 0.00 -0.36 0.00 0.00 55.97 54.74 2dk2 s LYS 47 Cb -0.04 -4.22 0.06 0.00 -1.51 0.00 0.00 37.83 32.12 2dk2 s LYS 47 CO -0.02 -1.75 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.65 2dk2 s LEU 48 N 3.87 2.60 0.00 5.43 2.01 -1.14 -5.03 118.68 126.42 2dk2 s LEU 48 Ca 0.21 -1.15 0.00 0.00 0.01 0.00 0.00 54.13 53.20 2dk2 s LEU 48 Cb -0.17 -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 0.19 1.70 3.00 -1.26 -2.88 118.16 123.56 2dk2 n LYS 49 Ca -0.12 0.00 0.13 0.00 -0.00 0.00 0.00 58.31 58.32 2dk2 n LYS 49 Cb 0.44 0.00 0.68 0.00 0.00 0.00 0.00 35.03 36.15 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 -3.43 116.42 114.42 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 -2.41 -1.60 -3.96 4.55 0.18 -1.14 -1.13 117.16 111.65 2dk2 n TYR 51 Ca -0.01 -1.17 -0.08 0.00 1.88 0.00 0.00 57.90 58.51 2dk2 n TYR 51 Cb 0.08 -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 0.07 -0.30 -3.48 0.00 -0.12 -2.90 121.76 112.64 2dk2 s ALA 52 Ca 0.22 -0.79 0.02 0.00 0.00 0.00 0.00 51.96 51.41 2dk2 s ALA 52 Cb -0.02 0.33 0.07 0.00 0.00 0.00 0.00 23.12 23.50 2dk2 s ALA 52 CO 0.14 -0.40 -0.03 -0.06 0.00 0.00 0.00 175.76 175.41 2dk2 s PHE 53 N -3.43 3.40 -0.01 0.00 0.08 -0.46 -3.62 117.98 113.92 2dk2 s PHE 53 Ca 0.02 -2.38 0.05 0.00 0.12 0.00 0.00 56.93 54.74 2dk2 s PHE 53 Cb 0.04 -2.27 -0.03 0.00 -0.57 0.00 0.00 43.02 40.19 2dk2 s PHE 53 CO -0.08 -0.88 -0.17 0.08 -0.10 0.00 0.00 175.22 174.06 2dk2 s VAL 54 N 1.09 2.82 0.13 -0.44 1.01 -1.26 -1.13 120.40 122.62 2dk2 s VAL 54 Ca -0.03 -0.94 0.07 0.00 0.00 0.00 0.00 61.98 61.09 2dk2 s VAL 54 Cb -0.20 -2.12 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 2dk2 s VAL 54 CO -0.05 0.50 -0.08 -1.00 0.00 0.00 0.00 175.10 174.48 2dk2 s HIS 55 N -0.78 2.75 0.15 5.22 3.76 0.14 -4.00 115.29 122.52 2dk2 s HIS 55 Ca 0.12 -0.16 0.09 0.00 -0.15 0.00 0.00 55.06 54.96 2dk2 s HIS 55 Cb -0.10 -1.40 -0.04 0.00 1.11 0.00 0.00 32.58 32.15 2dk2 s HIS 55 CO 0.02 0.46 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.12 2dk2 s PHE 56 N -1.41 1.84 0.58 1.40 0.40 -1.26 -0.16 117.98 119.36 2dk2 s PHE 56 Ca 0.23 -0.45 0.28 0.00 -0.60 0.00 0.00 56.93 56.39 2dk2 s PHE 56 Cb -0.10 -0.93 1.55 0.00 0.51 0.00 0.00 43.02 44.04 2dk2 s PHE 56 CO 0.15 0.31 2.02 0.93 0.70 0.00 0.00 175.22 179.34 2dk2 h GLU 57 N 3.43 0.00 0.00 0.44 5.08 -1.83 -3.45 114.58 118.25 2dk2 h GLU 57 Ca -0.43 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 57.93 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 0.00 -3.47 -1.00 0.00 0.00 179.01 175.03 2dk2 n ASP 58 N -3.90 -0.02 0.08 1.42 2.03 -1.26 -5.05 116.55 109.85 2dk2 n ASP 58 Ca 0.05 -1.01 -0.17 0.00 0.52 0.00 0.00 54.79 54.18 2dk2 n ASP 58 Cb 0.47 0.03 -0.14 0.00 -0.72 0.00 0.00 41.12 40.75 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 0.26 -0.01 -0.67 1.12 -1.88 -3.26 114.38 109.94 2dk2 h ARG 59 Ca -0.00 -0.44 -0.01 0.00 -1.11 0.00 0.00 59.98 58.42 2dk2 h ARG 59 Cb 0.01 0.16 -0.00 0.00 -0.01 0.00 0.00 29.97 30.13 2dk2 h ARG 59 CO 0.00 1.15 -0.04 0.78 -3.11 0.00 0.00 179.97 178.75 2dk2 h GLY 60 N 1.64 0.01 1.98 2.80 0.00 -1.95 0.53 103.07 108.08 2dk2 h GLY 60 Ca -0.21 -0.00 -0.11 0.00 0.00 0.00 0.00 47.33 47.01 2dk2 h GLY 60 CO 0.18 0.00 -0.54 0.00 0.00 0.00 0.00 176.54 176.19 2dk2 h ALA 61 N 1.96 0.66 0.04 3.60 0.00 -1.98 -2.56 119.26 120.97 2dk2 h ALA 61 Ca 0.00 -0.48 -0.11 0.00 0.00 0.00 0.00 54.91 54.33 2dk2 h ALA 61 Cb 0.07 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.78 2dk2 h ALA 61 CO 0.00 0.65 -0.54 0.00 0.00 0.00 0.00 179.25 179.37 2dk2 h ALA 62 N 1.48 0.06 0.21 0.00 0.00 -1.31 -3.19 119.26 116.51 2dk2 h ALA 62 Ca -0.01 -0.74 -0.01 0.00 0.00 0.00 0.00 54.91 54.15 2dk2 h ALA 62 Cb 1.40 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.41 2dk2 h ALA 62 CO 0.07 0.29 -0.10 0.28 0.00 0.00 0.00 179.25 179.79 2dk2 h VAL 63 N -0.82 0.88 -0.39 0.00 2.07 -1.06 0.11 116.25 117.03 2dk2 h VAL 63 Ca -0.13 -0.49 0.11 0.00 0.82 0.00 0.00 66.70 67.01 2dk2 h VAL 63 Cb 1.25 1.17 -0.02 0.00 -1.52 0.00 0.00 31.29 32.17 2dk2 h VAL 63 CO -0.01 0.11 0.36 0.50 0.02 0.00 0.00 177.57 178.55 2dk2 h LYS 64 N -0.53 0.00 0.00 1.57 3.64 -1.64 0.23 116.57 119.85 2dk2 h LYS 64 Ca -0.03 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2dk2 h LYS 64 Cb 0.39 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.21 2dk2 h LYS 64 CO 0.05 0.00 -0.21 0.00 -2.27 0.00 0.00 179.45 177.02 2dk2 h ALA 65 N 1.65 0.00 -0.27 5.00 0.00 -1.47 -3.35 119.26 120.82 2dk2 h ALA 65 Ca 0.18 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 54.95 2dk2 h ALA 65 Cb 0.89 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 2dk2 h ALA 65 CO -0.00 0.20 0.28 1.98 0.00 0.00 0.00 179.25 181.71 2dk2 h MET 66 N -1.00 0.00 -0.58 0.00 1.85 -0.50 0.27 114.93 114.98 2dk2 h MET 66 Ca -0.01 0.00 0.02 0.00 -0.61 0.00 0.00 59.70 59.10 2dk2 h MET 66 Cb 0.24 0.00 -0.03 0.00 0.43 0.00 0.00 31.60 32.23 2dk2 h MET 66 CO -0.00 0.00 0.37 -0.44 -0.40 0.00 0.00 176.91 176.43 2dk2 h ASP 67 N 0.00 0.61 0.03 1.39 3.32 -0.68 -0.76 116.42 120.34 2dk2 h ASP 67 Ca 0.13 -0.01 -0.32 0.00 0.02 0.00 0.00 57.03 56.86 2dk2 h ASP 67 Cb 0.69 -0.14 -0.04 0.00 0.22 0.00 0.00 39.33 40.06 2dk2 h ASP 67 CO -0.00 0.44 -1.75 -0.62 -1.72 0.00 0.00 179.24 175.59 2dk2 n GLU 68 N -4.72 0.63 -0.19 3.56 -0.58 -0.41 -4.20 120.64 114.72 2dk2 n GLU 68 Ca 0.04 0.41 0.22 0.00 -0.42 0.00 0.00 57.16 57.42 2dk2 n GLU 68 Cb 0.05 -1.68 0.61 0.00 -0.57 0.00 0.00 31.44 29.85 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 -0.65 0.20 -5.76 3.49 2.86 -0.60 -3.41 114.93 111.07 2dk2 h MET 69 Ca -0.44 -0.01 -0.59 0.00 -2.06 0.00 0.00 59.70 56.59 2dk2 h MET 69 Cb 1.59 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 33.18 2dk2 h MET 69 CO -0.16 0.14 1.52 -1.71 1.06 0.00 0.00 176.91 177.76 2dk2 n ASN 70 N -4.41 1.99 -0.27 1.22 5.15 -0.29 -1.37 115.26 117.28 2dk2 n ASN 70 Ca 0.18 0.16 0.00 0.00 -0.60 0.00 0.00 54.58 54.31 2dk2 n ASN 70 Cb 0.77 -1.31 0.00 0.00 -0.53 0.00 0.00 39.78 38.72 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 6.37 0.83 3.95 8.20 0.00 -1.26 -5.02 105.19 118.26 2dk2 n GLY 71 Ca 0.43 -0.26 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.82 2.39 -0.35 1.61 -0.14 -0.47 -5.04 119.74 115.92 2dk2 s LYS 72 Ca 0.00 -1.70 0.02 0.00 -1.36 0.00 0.00 55.97 52.93 2dk2 s LYS 72 Cb 0.00 -2.42 0.10 0.00 -1.68 0.00 0.00 37.83 33.83 2dk2 s LYS 72 CO 0.00 -0.57 0.09 -2.00 -0.76 0.00 0.00 175.35 172.11 2dk2 s GLU 73 N -4.39 1.27 -0.23 1.68 2.12 -1.26 -3.30 118.70 114.59 2dk2 s GLU 73 Ca 0.49 -1.70 -0.13 0.00 0.36 0.00 0.00 54.97 53.99 2dk2 s GLU 73 Cb -0.04 -2.79 -0.04 0.00 0.26 0.00 0.00 34.13 31.51 2dk2 s GLU 73 CO 0.30 -0.98 0.29 0.42 -0.54 0.00 0.00 175.26 174.74 2dk2 s ILE 74 N 0.99 5.27 -1.38 -3.70 1.01 -1.17 -4.25 121.20 117.97 2dk2 s ILE 74 Ca 0.12 0.44 0.00 0.00 0.00 0.00 0.00 60.65 61.20 2dk2 s ILE 74 Cb -0.19 -3.62 0.00 0.00 0.01 0.00 0.00 42.46 38.66 2dk2 s ILE 74 CO -0.12 0.27 0.00 1.21 0.00 0.00 0.00 174.94 176.30 2dk2 n GLU 75 N 4.58 -1.98 -1.32 2.79 4.07 -1.26 -0.15 120.64 127.37 2dk2 n GLU 75 Ca -0.11 0.78 -0.11 0.00 -0.06 0.00 0.00 57.16 57.66 2dk2 n GLU 75 Cb 0.51 -5.40 -0.05 0.00 -0.06 0.00 0.00 31.44 26.45 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 -0.88 1.22 3.20 8.31 0.00 -1.26 -4.99 105.19 110.78 2dk2 n GLY 76 Ca -0.19 -0.49 -0.33 0.00 0.00 0.00 0.00 46.02 45.01 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 -2.89 3.13 -0.46 1.61 0.41 0.78 -5.06 118.70 116.22 2dk2 s GLU 77 Ca 0.00 -0.77 -0.31 0.00 -0.41 0.00 0.00 54.97 53.48 2dk2 s GLU 77 Cb 0.00 -2.67 -0.11 0.00 -1.78 0.00 0.00 34.13 29.58 2dk2 s GLU 77 CO 0.00 -0.14 2.33 0.39 -0.49 0.00 0.00 175.26 177.35 2dk2 n GLU 78 N 4.49 1.04 -3.75 1.61 1.02 -1.26 -3.04 120.64 120.74 2dk2 n GLU 78 Ca -0.20 0.20 -0.33 0.00 -0.02 0.00 0.00 57.16 56.81 2dk2 n GLU 78 Cb 0.51 -2.72 -0.05 0.00 -0.02 0.00 0.00 31.44 29.16 2dk2 n GLU 78 CO 0.00 0.00 0.00 0.96 1.18 0.00 0.00 177.13 179.27 2dk2 s ILE 79 N 9.11 5.26 0.20 -3.67 -5.25 -1.21 -4.76 121.20 120.88 2dk2 s ILE 79 Ca 1.09 0.04 0.11 0.00 -0.99 0.00 0.00 60.65 60.90 2dk2 s ILE 79 Cb -0.65 -3.60 -0.04 0.00 2.95 0.00 0.00 42.46 41.12 2dk2 s ILE 79 CO 0.40 0.21 -0.22 -0.70 -1.79 0.00 0.00 174.94 172.84 2dk2 s GLU 80 N -2.22 1.59 -0.04 0.37 2.12 -0.37 -4.26 118.70 115.89 2dk2 s GLU 80 Ca 0.34 -1.52 -0.02 0.00 0.36 0.00 0.00 54.97 54.13 2dk2 s GLU 80 Cb -0.13 -1.88 0.03 0.00 0.26 0.00 0.00 34.13 32.42 2dk2 s GLU 80 CO 0.21 0.40 0.10 0.42 -0.54 0.00 0.00 175.26 175.85 2dk2 s ILE 81 N -1.74 -0.04 0.04 -3.70 1.01 -1.26 -1.00 121.20 114.52 2dk2 s ILE 81 Ca 0.22 0.15 -0.06 0.00 0.00 0.00 0.00 60.65 60.96 2dk2 s ILE 81 Cb -0.08 -0.17 -0.01 0.00 0.01 0.00 0.00 42.46 42.22 2dk2 s ILE 81 CO 0.11 0.06 0.12 0.68 0.00 0.00 0.00 174.94 175.90 2dk2 s VAL 82 N 0.89 0.13 -0.38 2.92 -7.23 -0.63 -4.95 120.40 111.15 2dk2 s VAL 82 Ca -0.07 -1.11 -0.29 0.00 -1.81 0.00 0.00 61.98 58.70 2dk2 s VAL 82 Cb -0.10 -0.98 0.00 0.00 0.56 0.00 0.00 36.38 35.87 2dk2 s VAL 82 CO -0.04 -0.61 1.44 -0.76 -0.31 0.00 0.00 175.10 174.82 2dk2 s LEU 83 N -2.24 3.63 0.64 1.32 1.43 -1.26 -1.32 118.68 120.88 2dk2 s LEU 83 Ca -0.03 0.95 -0.17 0.00 -1.03 0.00 0.00 54.13 53.85 2dk2 s LEU 83 Cb 0.00 -3.54 -0.01 0.00 0.03 0.00 0.00 46.19 42.67 2dk2 s LEU 83 CO -0.05 -1.41 1.22 0.00 0.23 0.00 0.00 176.35 176.34 2dk2 s ALA 84 N 5.42 2.40 0.08 4.21 0.00 -1.22 -4.92 121.76 127.74 2dk2 s ALA 84 Ca 0.63 0.99 0.01 0.00 0.00 0.00 0.00 51.96 53.58 2dk2 s ALA 84 Cb -0.15 -3.47 -0.04 0.00 0.00 0.00 0.00 23.12 19.46 2dk2 s ALA 84 CO 0.31 -1.42 0.23 0.15 0.00 0.00 0.00 175.76 175.03 2dk2 s LYS 85 N -3.53 3.44 0.96 0.00 1.02 -1.26 -4.91 119.74 115.46 2dk2 s LYS 85 Ca 0.77 -0.48 -0.12 0.00 0.02 0.00 0.00 55.97 56.16 2dk2 s LYS 85 Cb -0.31 -3.02 0.17 0.00 -0.52 0.00 0.00 37.83 34.15 2dk2 s LYS 85 CO 0.38 0.59 1.09 -1.25 -0.92 0.00 0.00 175.35 175.24 2dk2 s PRO 86 N -2.69 0.73 0.01 -1.68 0.04 -1.26 -4.97 135.00 125.18 2dk2 s PRO 86 Ca 0.35 0.64 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 2dk2 s PRO 86 Cb -0.12 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.59 2dk2 s PRO 86 CO 0.28 -2.56 1.44 -1.25 0.04 0.00 0.00 177.00 174.96 2dk2 s PRO 87 N -4.95 4.27 -0.20 0.56 0.04 -1.26 -5.01 135.00 128.45 2dk2 s PRO 87 Ca 0.65 2.02 -0.16 0.00 0.04 0.00 0.00 61.00 63.55 2dk2 s PRO 87 Cb -0.18 -3.58 0.06 0.00 0.04 0.00 0.00 34.50 30.83 2dk2 s PRO 87 CO 0.57 -0.60 0.52 0.16 0.04 0.00 0.00 177.00 177.69 2dk2 s ASP 88 N 1.98 -0.59 -0.30 6.66 1.47 -1.26 -5.03 116.67 119.59 2dk2 s ASP 88 Ca 0.65 1.08 -0.03 0.00 1.18 0.00 0.00 52.55 55.43 2dk2 s ASP 88 Cb -0.33 1.05 0.00 0.00 -0.34 0.00 0.00 42.92 43.31 2dk2 s ASP 88 CO 0.27 -0.19 0.11 0.29 0.68 0.00 0.00 175.17 176.33 2dk2 n LYS 89 N 3.26 -2.97 -2.16 2.11 5.02 -1.26 -4.82 118.16 117.35 2dk2 n LYS 89 Ca -0.16 2.46 -0.40 0.00 -2.02 0.00 0.00 58.31 58.18 2dk2 n LYS 89 Cb 0.56 -4.90 -0.03 0.00 -0.02 0.00 0.00 35.03 30.65 2dk2 n LYS 89 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dk2 s LYS 90 N -1.74 2.99 0.06 1.97 2.20 -1.26 -4.94 119.74 119.02 2dk2 s LYS 90 Ca 0.05 0.69 -0.32 0.00 -0.36 0.00 0.00 55.97 56.03 2dk2 s LYS 90 Cb -0.01 -4.26 -0.11 0.00 -1.51 0.00 0.00 37.83 31.94 2dk2 s LYS 90 CO 0.70 -2.30 1.87 0.54 -0.36 0.00 0.00 175.35 175.80 2dk2 n ARG 91 N 8.89 2.66 -2.55 4.03 3.00 -1.26 -4.97 116.66 126.46 2dk2 n ARG 91 Ca 0.18 0.97 -0.27 0.00 -0.01 0.00 0.00 57.85 58.72 2dk2 n ARG 91 Cb 0.50 -2.87 0.01 0.00 0.00 0.00 0.00 32.46 30.11 2dk2 n ARG 91 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2dk2 s SER 92 N 3.41 5.93 0.00 0.55 1.04 -1.26 -5.06 113.70 118.31 2dk2 s SER 92 Ca 0.86 0.79 0.00 0.00 0.48 0.00 0.00 55.95 58.08 2dk2 s SER 92 Cb -0.52 -1.96 0.00 0.00 0.10 0.00 0.00 66.02 63.64 2dk2 s SER 92 CO 0.42 -0.81 0.00 0.61 0.98 0.00 0.00 173.24 174.44 2dk2 n GLY 93 N -2.39 -1.51 3.74 7.32 0.00 -1.26 -5.14 105.19 105.95 2dk2 n GLY 93 Ca 0.02 -1.09 -0.41 0.00 0.00 0.00 0.00 46.02 44.54 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 -1.38 4.40 0.23 1.61 0.04 -1.26 -5.03 135.00 133.61 2dk2 s PRO 94 Ca 0.00 2.04 -0.01 0.00 0.04 0.00 0.00 61.00 63.08 2dk2 s PRO 94 Cb 0.00 -3.19 -0.03 0.00 0.04 0.00 0.00 34.50 31.32 2dk2 s PRO 94 CO 0.00 -0.22 0.20 -1.54 0.04 0.00 0.00 177.00 175.48 2dk2 s SER 95 N 0.22 0.45 -0.53 6.66 1.04 -1.26 -5.12 113.70 115.17 2dk2 s SER 95 Ca 0.55 -1.42 0.05 0.00 0.48 0.00 0.00 55.95 55.61 2dk2 s SER 95 Cb -0.36 0.44 0.19 0.00 0.10 0.00 0.00 66.02 66.39 2dk2 s SER 95 CO 0.39 -0.93 0.47 -1.54 0.98 0.00 0.00 173.24 172.61 2dk2 n SER 96 N -0.57 1.26 0.00 7.02 3.41 -1.26 -5.35 113.62 118.13 2dk2 n SER 96 Ca 0.03 -2.82 0.00 0.00 -0.26 0.00 0.00 58.87 55.81 2dk2 n SER 96 Cb 0.65 -0.65 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dk2 n SER 96 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49