#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 2.42 0.45 1.61 0.15 -1.26 -5.11 113.70 111.97 2dk2 s SER 2 Ca 0.00 -2.86 0.00 0.00 0.70 0.00 0.00 55.95 53.79 2dk2 s SER 2 Cb 0.00 -0.61 0.00 0.00 -1.71 0.00 0.00 66.02 63.70 2dk2 s SER 2 CO 0.00 -0.21 0.00 -0.24 1.20 0.00 0.00 173.24 173.99 2dk2 n SER 3 N 3.15 -8.09 -3.69 5.45 2.88 -1.26 -4.97 113.62 107.10 2dk2 n SER 3 Ca 0.22 1.27 -0.14 0.00 -1.33 0.00 0.00 58.87 58.89 2dk2 n SER 3 Cb 0.42 -3.58 -0.09 0.00 -0.75 0.00 0.00 64.21 60.22 2dk2 n SER 3 CO 0.00 0.00 0.00 -0.83 -1.23 0.00 0.00 175.04 172.98 2dk2 s GLY 4 N -6.93 -0.37 0.94 0.46 0.00 -1.26 -5.16 107.32 95.01 2dk2 s GLY 4 Ca 0.00 1.26 -0.11 0.00 0.00 0.00 0.00 44.72 45.87 2dk2 s GLY 4 CO 0.00 1.04 1.11 -0.56 0.00 0.00 0.00 173.10 174.70 2dk2 s SER 5 N -0.11 2.78 -0.18 1.64 0.01 -1.26 -5.03 113.70 111.55 2dk2 s SER 5 Ca -0.03 1.97 0.01 0.00 1.31 0.00 0.00 55.95 59.21 2dk2 s SER 5 Cb -0.03 -2.49 0.03 0.00 0.21 0.00 0.00 66.02 63.74 2dk2 s SER 5 CO 0.02 -3.16 -0.15 -0.55 0.41 0.00 0.00 173.24 169.82 2dk2 s SER 6 N -2.78 3.10 0.00 2.44 0.15 -1.26 -5.05 113.70 110.30 2dk2 s SER 6 Ca 0.66 -0.69 0.00 0.00 0.70 0.00 0.00 55.95 56.62 2dk2 s SER 6 Cb -0.22 -1.31 0.00 0.00 -1.71 0.00 0.00 66.02 62.78 2dk2 s SER 6 CO 0.59 -0.07 0.00 0.61 1.20 0.00 0.00 173.24 175.57 2dk2 n GLY 7 N 4.68 -1.05 3.86 9.45 0.00 -1.26 -5.02 105.19 115.85 2dk2 n GLY 7 Ca -0.18 -1.59 -0.24 0.00 0.00 0.00 0.00 46.02 44.02 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 -2.65 5.81 0.10 1.61 1.11 -1.26 -5.04 116.67 116.35 2dk2 s ASP 8 Ca 0.00 -0.07 -0.14 0.00 0.18 0.00 0.00 52.55 52.51 2dk2 s ASP 8 Cb 0.00 -1.59 -0.08 0.00 1.07 0.00 0.00 42.92 42.32 2dk2 s ASP 8 CO 0.00 0.01 1.43 1.55 1.18 0.00 0.00 175.17 179.34 2dk2 h PRO 9 N 1.89 0.73 -0.28 8.23 0.13 -2.01 -3.06 132.00 137.64 2dk2 h PRO 9 Ca -0.49 -0.38 0.05 0.00 -0.87 0.00 0.00 66.00 64.31 2dk2 h PRO 9 Cb 1.21 0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.34 2dk2 h PRO 9 CO 0.63 1.00 0.19 1.05 -0.23 0.00 0.00 178.00 180.64 2dk2 h GLU 10 N 0.48 0.17 -0.02 0.86 -0.00 -1.99 -1.99 114.58 112.09 2dk2 h GLU 10 Ca 0.05 -0.01 -0.00 0.00 -0.00 0.00 0.00 59.36 59.39 2dk2 h GLU 10 Cb 0.87 -0.04 -0.00 0.00 -0.00 0.00 0.00 28.75 29.58 2dk2 h GLU 10 CO 0.07 0.11 -0.00 0.28 -0.00 0.00 0.00 179.01 179.47 2dk2 h VAL 11 N 0.17 1.26 -0.01 -1.06 2.07 -1.96 -2.94 116.25 113.79 2dk2 h VAL 11 Ca 0.12 -0.79 -0.02 0.00 0.82 0.00 0.00 66.70 66.83 2dk2 h VAL 11 Cb 0.27 1.75 -0.00 0.00 -1.52 0.00 0.00 31.29 31.78 2dk2 h VAL 11 CO -0.02 0.21 -0.10 0.24 0.02 0.00 0.00 177.57 177.92 2dk2 h MET 12 N -0.27 0.01 0.00 1.57 2.86 -1.40 -1.51 114.93 116.18 2dk2 h MET 12 Ca 0.01 -0.00 -0.03 0.00 -2.06 0.00 0.00 59.70 57.61 2dk2 h MET 12 Cb 0.34 -0.00 -0.00 0.00 0.06 0.00 0.00 31.60 31.99 2dk2 h MET 12 CO 0.00 0.11 -0.15 0.00 1.06 0.00 0.00 176.91 177.93 2dk2 h ALA 13 N 1.89 1.54 0.54 6.32 0.00 -1.20 -3.09 119.26 125.26 2dk2 h ALA 13 Ca 0.00 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.76 2dk2 h ALA 13 Cb 0.19 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2dk2 h ALA 13 CO 0.01 0.19 -0.48 -0.22 0.00 0.00 0.00 179.25 178.75 2dk2 h LYS 14 N 0.00 -0.98 -6.99 0.00 3.11 -1.19 -3.43 116.57 107.10 2dk2 h LYS 14 Ca -0.00 0.07 -0.53 0.00 -2.81 0.00 0.00 60.65 57.38 2dk2 h LYS 14 Cb 0.31 0.22 0.09 0.00 -1.00 0.00 0.00 32.23 31.85 2dk2 h LYS 14 CO 0.02 -0.65 0.59 0.54 -2.81 0.00 0.00 179.45 177.14 2dk2 s VAL 15 N -5.91 2.56 -0.09 2.00 0.11 -1.17 -4.95 120.40 112.96 2dk2 s VAL 15 Ca -0.18 0.46 0.18 0.00 -2.93 0.00 0.00 61.98 59.51 2dk2 s VAL 15 Cb 0.04 -3.25 0.34 0.00 -1.53 0.00 0.00 36.38 31.98 2dk2 s VAL 15 CO 0.61 0.03 1.16 2.29 -3.33 0.00 0.00 175.10 175.86 2dk2 n LYS 16 N -0.34 0.50 -3.82 1.54 2.85 -1.26 -4.81 118.16 112.81 2dk2 n LYS 16 Ca 0.06 -1.99 -0.19 0.00 -1.05 0.00 0.00 58.31 55.14 2dk2 n LYS 16 Cb 0.45 -0.17 -0.17 0.00 -0.65 0.00 0.00 35.03 34.49 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 -0.77 0.17 -0.16 0.58 1.01 -1.26 -4.32 120.40 115.65 2dk2 s VAL 17 Ca 0.22 0.18 -0.16 0.00 0.00 0.00 0.00 61.98 62.22 2dk2 s VAL 17 Cb 0.29 -0.32 -0.04 0.00 0.00 0.00 0.00 36.38 36.31 2dk2 s VAL 17 CO -0.10 0.19 0.38 -0.76 0.00 0.00 0.00 175.10 174.81 2dk2 s LEU 18 N 1.57 4.23 -0.66 3.92 1.43 -1.26 -2.55 118.68 125.36 2dk2 s LEU 18 Ca -0.02 0.60 -0.17 0.00 -1.03 0.00 0.00 54.13 53.50 2dk2 s LEU 18 Cb -0.13 -2.51 0.13 0.00 0.03 0.00 0.00 46.19 43.72 2dk2 s LEU 18 CO -0.03 0.02 0.71 0.12 0.23 0.00 0.00 176.35 177.40 2dk2 s PHE 19 N 0.76 3.21 -0.44 0.29 5.36 -0.21 -4.23 117.98 122.73 2dk2 s PHE 19 Ca 0.20 -1.28 -0.23 0.00 -0.96 0.00 0.00 56.93 54.67 2dk2 s PHE 19 Cb -0.14 -3.96 0.02 0.00 -0.34 0.00 0.00 43.02 38.60 2dk2 s PHE 19 CO 0.07 -1.20 0.76 0.08 -1.46 0.00 0.00 175.22 173.47 2dk2 s VAL 20 N 1.96 4.69 0.37 3.12 1.01 -1.24 -1.64 120.40 128.67 2dk2 s VAL 20 Ca 0.13 0.42 0.07 0.00 0.00 0.00 0.00 61.98 62.60 2dk2 s VAL 20 Cb -0.21 -4.29 -0.01 0.00 0.00 0.00 0.00 36.38 31.87 2dk2 s VAL 20 CO 0.01 -0.67 0.44 -0.13 0.00 0.00 0.00 175.10 174.75 2dk2 s ARG 21 N 3.19 2.87 -0.59 2.72 0.52 0.27 -1.27 118.95 126.66 2dk2 s ARG 21 Ca 0.29 -1.21 -0.10 0.00 -0.52 0.00 0.00 55.73 54.18 2dk2 s ARG 21 Cb -0.13 -2.66 0.01 0.00 0.52 0.00 0.00 34.95 32.70 2dk2 s ARG 21 CO 0.21 -0.05 0.65 0.09 0.02 0.00 0.00 175.30 176.22 2dk2 n ASN 22 N -1.61 -7.42 -4.97 0.23 3.02 -1.15 -0.56 115.26 102.79 2dk2 n ASN 22 Ca 0.02 0.11 -0.21 0.00 -0.03 0.00 0.00 54.58 54.46 2dk2 n ASN 22 Cb 0.59 -4.73 0.02 0.00 -0.61 0.00 0.00 39.78 35.05 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 -3.35 3.15 0.08 3.41 1.02 -0.24 -4.00 118.68 118.76 2dk2 s LEU 23 Ca 0.14 -0.86 -0.06 0.00 0.02 0.00 0.00 54.13 53.37 2dk2 s LEU 23 Cb -0.03 -1.78 -0.05 0.00 0.02 0.00 0.00 46.19 44.35 2dk2 s LEU 23 CO 0.78 -1.05 0.34 0.00 0.02 0.00 0.00 176.35 176.44 2dk2 s ALA 24 N -2.60 3.81 -0.14 4.21 0.00 -1.26 -5.00 121.76 120.77 2dk2 s ALA 24 Ca 0.51 -0.54 0.16 0.00 0.00 0.00 0.00 51.96 52.09 2dk2 s ALA 24 Cb -0.05 -2.12 -0.03 0.00 0.00 0.00 0.00 23.12 20.92 2dk2 s ALA 24 CO 0.31 0.65 1.15 1.15 0.00 0.00 0.00 175.76 179.02 2dk2 h THR 25 N 2.51 0.66 0.00 0.00 2.02 -1.99 -3.31 112.91 112.80 2dk2 h THR 25 Ca -0.48 -2.06 -0.18 0.00 0.77 0.00 0.00 66.41 64.46 2dk2 h THR 25 Cb 1.18 2.20 -0.03 0.00 -1.74 0.00 0.00 68.15 69.77 2dk2 h THR 25 CO 0.70 0.38 -0.86 0.71 0.37 0.00 0.00 175.52 176.81 2dk2 h THR 26 N 0.00 1.52 -4.24 3.16 1.35 -1.99 -3.46 112.91 109.25 2dk2 h THR 26 Ca -0.07 -3.05 -0.50 0.00 -0.55 0.00 0.00 66.41 62.23 2dk2 h THR 26 Cb 1.46 2.69 0.13 0.00 -1.73 0.00 0.00 68.15 70.70 2dk2 h THR 26 CO 0.05 0.84 0.30 0.68 -0.25 0.00 0.00 175.52 177.15 2dk2 s VAL 27 N -2.85 3.17 0.28 6.82 -7.23 -1.25 -5.07 120.40 114.26 2dk2 s VAL 27 Ca 0.01 0.38 0.06 0.00 -1.81 0.00 0.00 61.98 60.62 2dk2 s VAL 27 Cb 0.10 -2.91 -0.06 0.00 0.56 0.00 0.00 36.38 34.07 2dk2 s VAL 27 CO 0.80 -0.50 -0.04 0.28 -0.31 0.00 0.00 175.10 175.33 2dk2 s THR 28 N -2.94 1.50 0.53 5.32 -1.32 -1.26 -4.97 115.64 112.50 2dk2 s THR 28 Ca 0.61 -2.09 0.27 0.00 -1.21 0.00 0.00 61.69 59.27 2dk2 s THR 28 Cb -0.17 -2.47 0.42 0.00 -1.51 0.00 0.00 72.50 68.77 2dk2 s THR 28 CO 0.56 -0.27 1.97 -0.33 -2.21 0.00 0.00 174.62 174.33 2dk2 h GLU 29 N 2.29 0.00 0.36 7.08 5.08 -1.98 -1.71 114.58 125.70 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 -0.17 1.49 -1.00 0.00 0.00 179.01 180.00 2dk2 h GLU 30 N 0.00 -0.47 -0.25 2.33 4.81 -1.99 -1.80 114.58 117.22 2dk2 h GLU 30 Ca 0.30 0.03 0.05 0.00 -0.13 0.00 0.00 59.36 59.62 2dk2 h GLU 30 Cb 1.21 0.11 -0.05 0.00 0.63 0.00 0.00 28.75 30.65 2dk2 h GLU 30 CO -0.00 -0.23 -0.10 0.82 -0.73 0.00 0.00 179.01 178.76 2dk2 h ILE 31 N -0.63 0.67 -0.08 2.32 2.04 -1.73 0.35 117.51 120.45 2dk2 h ILE 31 Ca -0.05 0.00 0.02 0.00 1.00 0.00 0.00 64.86 65.83 2dk2 h ILE 31 Cb 0.45 0.67 -0.00 0.00 -0.74 0.00 0.00 36.82 37.20 2dk2 h ILE 31 CO 0.08 0.00 0.08 -0.07 0.00 0.00 0.00 178.15 178.24 2dk2 h LEU 32 N -0.06 0.00 -0.40 1.44 3.38 -1.45 0.14 115.31 118.36 2dk2 h LEU 32 Ca 0.13 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.96 2dk2 h LEU 32 Cb 0.25 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 2dk2 h LEU 32 CO -0.29 0.00 -0.66 -0.33 0.09 0.00 0.00 178.44 177.25 2dk2 h GLU 33 N 0.00 0.00 0.00 1.13 5.08 -0.04 -3.16 114.58 117.59 2dk2 h GLU 33 Ca 0.04 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.22 2dk2 h GLU 33 Cb 0.20 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2dk2 h GLU 33 CO -0.00 0.66 -1.40 0.87 -1.00 0.00 0.00 179.01 178.14 2dk2 h LYS 34 N 0.00 0.00 -0.35 2.33 1.79 -0.18 -2.46 116.57 117.70 2dk2 h LYS 34 Ca -0.01 0.00 -0.08 0.00 -2.18 0.00 0.00 60.65 58.38 2dk2 h LYS 34 Cb 1.33 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.96 2dk2 h LYS 34 CO 0.09 0.32 -0.12 0.77 -1.08 0.00 0.00 179.45 179.42 2dk2 h SER 35 N 0.00 0.59 0.24 0.86 0.02 -0.84 -3.06 113.55 111.35 2dk2 h SER 35 Ca -0.17 -0.16 -0.34 0.00 -0.84 0.00 0.00 61.79 60.29 2dk2 h SER 35 Cb 1.62 -0.16 -0.06 0.00 0.14 0.00 0.00 62.40 63.94 2dk2 h SER 35 CO 0.05 0.74 -2.05 0.49 -1.14 0.00 0.00 176.83 174.93 2dk2 n PHE 36 N -4.18 0.59 0.05 3.45 3.72 -1.20 -4.15 117.46 115.74 2dk2 n PHE 36 Ca 0.01 0.19 0.21 0.00 -0.05 0.00 0.00 57.45 57.81 2dk2 n PHE 36 Cb 0.34 -1.10 0.73 0.00 -0.94 0.00 0.00 39.48 38.51 2dk2 n PHE 36 CO 0.00 0.00 0.00 1.03 -0.05 0.00 0.00 176.76 177.74 2dk2 h SER 37 N 0.01 0.00 0.06 4.37 0.87 -1.41 0.23 113.55 117.68 2dk2 h SER 37 Ca -0.42 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.14 2dk2 h SER 37 Cb 2.09 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 64.05 2dk2 h SER 37 CO 0.05 0.00 -0.03 -0.33 -0.53 0.00 0.00 176.83 175.99 2dk2 h GLU 38 N 0.00 0.00 0.00 2.24 5.08 -1.69 -3.02 114.58 117.19 2dk2 h GLU 38 Ca 0.22 0.00 -0.20 0.00 -1.00 0.00 0.00 59.36 58.39 2dk2 h GLU 38 Cb 1.02 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.24 2dk2 h GLU 38 CO -0.00 0.03 -1.12 0.74 -1.00 0.00 0.00 179.01 177.65 2dk2 h PHE 39 N 0.00 0.00 -2.35 4.33 -1.00 -0.80 -3.50 116.94 113.62 2dk2 h PHE 39 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 2dk2 h PHE 39 Cb 0.06 0.00 -0.16 0.00 3.61 0.00 0.00 35.95 39.46 2dk2 h PHE 39 CO 0.00 1.31 0.27 0.20 -1.61 0.00 0.00 178.31 178.48 2dk2 s GLY 40 N -4.76 -0.55 -0.34 -1.45 0.00 -1.06 -5.05 107.32 94.12 2dk2 s GLY 40 Ca -0.27 1.05 -0.34 0.00 0.00 0.00 0.00 44.72 45.16 2dk2 s GLY 40 CO 0.55 0.60 2.20 0.28 0.00 0.00 0.00 173.10 176.74 2dk2 n LYS 41 N 0.29 1.16 -0.97 2.90 4.76 -1.26 -4.14 118.16 120.89 2dk2 n LYS 41 Ca -0.16 0.31 -0.29 0.00 -2.87 0.00 0.00 58.31 55.30 2dk2 n LYS 41 Cb 0.61 -2.55 0.18 0.00 -1.84 0.00 0.00 35.03 31.42 2dk2 n LYS 41 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2dk2 s LEU 42 N 7.53 1.76 -0.18 -0.35 1.43 -1.26 -3.80 118.68 123.81 2dk2 s LEU 42 Ca 1.09 1.49 -0.06 0.00 -1.03 0.00 0.00 54.13 55.62 2dk2 s LEU 42 Cb -0.79 -3.70 -0.09 0.00 0.03 0.00 0.00 46.19 41.63 2dk2 s LEU 42 CO 0.47 -3.23 -0.21 1.21 0.23 0.00 0.00 176.35 174.82 2dk2 n GLU 43 N -4.27 0.40 -3.65 1.70 2.13 0.81 -4.76 120.64 113.01 2dk2 n GLU 43 Ca 0.06 0.15 -0.01 0.00 0.66 0.00 0.00 57.16 58.01 2dk2 n GLU 43 Cb 0.55 -1.22 -0.07 0.00 0.27 0.00 0.00 31.44 30.98 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 -2.34 0.03 0.08 5.31 3.52 -1.24 -4.94 118.95 119.39 2dk2 s ARG 44 Ca -0.25 0.04 0.09 0.00 -0.13 0.00 0.00 55.73 55.49 2dk2 s ARG 44 Cb 0.09 0.01 -0.03 0.00 -1.56 0.00 0.00 34.95 33.46 2dk2 s ARG 44 CO 0.35 -0.00 -0.24 0.08 -0.81 0.00 0.00 175.30 174.67 2dk2 s VAL 45 N 0.21 1.96 -0.04 7.11 1.01 -1.26 -0.73 120.40 128.67 2dk2 s VAL 45 Ca 0.05 -1.49 -0.03 0.00 0.00 0.00 0.00 61.98 60.51 2dk2 s VAL 45 Cb -0.04 -1.73 0.02 0.00 0.00 0.00 0.00 36.38 34.63 2dk2 s VAL 45 CO -0.15 0.15 0.10 -0.75 0.00 0.00 0.00 175.10 174.45 2dk2 s LYS 46 N -1.63 0.09 -0.63 2.72 2.47 -0.32 -4.98 119.74 117.46 2dk2 s LYS 46 Ca 0.10 0.20 -0.22 0.00 -1.56 0.00 0.00 55.97 54.48 2dk2 s LYS 46 Cb -0.10 -0.04 0.07 0.00 -1.46 0.00 0.00 37.83 36.30 2dk2 s LYS 46 CO 0.04 -0.07 0.93 0.21 0.16 0.00 0.00 175.35 176.62 2dk2 s LYS 47 N 0.45 3.14 -0.23 4.03 2.20 -1.26 -1.35 119.74 126.71 2dk2 s LYS 47 Ca -0.03 -0.77 0.01 0.00 -0.36 0.00 0.00 55.97 54.81 2dk2 s LYS 47 Cb -0.05 -4.20 0.06 0.00 -1.51 0.00 0.00 37.83 32.13 2dk2 s LYS 47 CO -0.02 -1.73 -0.06 -0.51 -0.36 0.00 0.00 175.35 172.67 2dk2 s LEU 48 N 3.92 2.59 0.00 5.43 2.01 -1.14 -5.03 118.68 126.47 2dk2 s LEU 48 Ca 0.22 -1.16 0.00 0.00 0.01 0.00 0.00 54.13 53.20 2dk2 s LEU 48 Cb -0.17 -1.20 0.00 0.00 0.01 0.00 0.00 46.19 44.83 2dk2 s LEU 48 CO 0.11 -0.22 0.00 0.29 1.01 0.00 0.00 176.35 177.54 2dk2 n LYS 49 N 4.66 0.00 0.21 1.70 4.76 -1.26 -2.88 118.16 125.34 2dk2 n LYS 49 Ca -0.12 0.00 0.14 0.00 -2.87 0.00 0.00 58.31 55.46 2dk2 n LYS 49 Cb 0.44 0.00 0.74 0.00 -1.84 0.00 0.00 35.03 34.37 2dk2 n LYS 49 CO 0.00 0.00 0.00 0.38 -1.37 0.00 0.00 177.40 176.41 2dk2 h ASP 50 N 0.00 0.00 -4.79 4.39 3.04 -1.96 -3.43 116.42 113.67 2dk2 h ASP 50 Ca 0.00 0.00 -0.25 0.00 -3.24 0.00 0.00 57.03 53.54 2dk2 h ASP 50 Cb 0.00 0.00 -0.01 0.00 -1.04 0.00 0.00 39.33 38.28 2dk2 h ASP 50 CO 0.00 0.00 -0.09 0.00 -2.04 0.00 0.00 179.24 177.11 2dk2 n TYR 51 N -2.49 -1.63 -3.91 4.15 0.18 -1.14 -1.08 117.16 111.23 2dk2 n TYR 51 Ca -0.01 -1.04 -0.09 0.00 1.88 0.00 0.00 57.90 58.64 2dk2 n TYR 51 Cb 0.07 -0.22 -0.08 0.00 -0.38 0.00 0.00 39.34 38.73 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 -2.35 -0.08 -0.30 -3.48 0.00 -0.39 -2.86 121.76 112.30 2dk2 s ALA 52 Ca 0.19 -0.66 0.01 0.00 0.00 0.00 0.00 51.96 51.50 2dk2 s ALA 52 Cb -0.02 0.37 0.07 0.00 0.00 0.00 0.00 23.12 23.54 2dk2 s ALA 52 CO 0.12 -0.42 -0.02 -0.06 0.00 0.00 0.00 175.76 175.38 2dk2 s PHE 53 N -3.41 3.39 -0.02 0.00 0.08 -0.46 -3.65 117.98 113.91 2dk2 s PHE 53 Ca 0.02 -2.32 0.06 0.00 0.12 0.00 0.00 56.93 54.80 2dk2 s PHE 53 Cb 0.03 -2.29 -0.03 0.00 -0.57 0.00 0.00 43.02 40.16 2dk2 s PHE 53 CO -0.08 -0.88 -0.18 0.08 -0.10 0.00 0.00 175.22 174.06 2dk2 s VAL 54 N 1.11 2.73 0.15 -0.44 1.01 -1.26 -1.17 120.40 122.54 2dk2 s VAL 54 Ca -0.02 -0.95 0.08 0.00 0.00 0.00 0.00 61.98 61.09 2dk2 s VAL 54 Cb -0.20 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.07 2dk2 s VAL 54 CO -0.04 0.52 -0.09 -1.00 0.00 0.00 0.00 175.10 174.49 2dk2 s HIS 55 N -0.76 2.69 0.16 5.22 3.76 0.09 -4.00 115.29 122.46 2dk2 s HIS 55 Ca 0.12 -0.19 0.09 0.00 -0.15 0.00 0.00 55.06 54.92 2dk2 s HIS 55 Cb -0.10 -1.35 -0.04 0.00 1.11 0.00 0.00 32.58 32.20 2dk2 s HIS 55 CO 0.01 0.48 -0.19 -0.06 -0.85 0.00 0.00 174.74 174.14 2dk2 s PHE 56 N -1.53 1.83 0.58 1.40 0.40 -1.26 -0.13 117.98 119.26 2dk2 s PHE 56 Ca 0.24 -0.46 0.28 0.00 -0.60 0.00 0.00 56.93 56.38 2dk2 s PHE 56 Cb -0.10 -0.92 1.56 0.00 0.51 0.00 0.00 43.02 44.08 2dk2 s PHE 56 CO 0.15 0.32 2.04 0.93 0.70 0.00 0.00 175.22 179.37 2dk2 h GLU 57 N 3.31 0.00 0.00 0.44 5.08 -1.86 -3.45 114.58 118.10 2dk2 h GLU 57 Ca -0.43 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 57.89 2dk2 h GLU 57 Cb 1.20 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.45 2dk2 h GLU 57 CO 0.50 0.00 0.04 -3.47 -1.00 0.00 0.00 179.01 175.08 2dk2 n ASP 58 N -3.91 -0.73 0.14 1.42 2.03 -1.26 -5.06 116.55 109.17 2dk2 n ASP 58 Ca 0.04 -1.65 -0.24 0.00 0.52 0.00 0.00 54.79 53.46 2dk2 n ASP 58 Cb 0.43 1.26 -0.15 0.00 -0.72 0.00 0.00 41.12 41.94 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 0.57 0.02 -0.67 1.12 -1.87 -3.31 114.38 110.23 2dk2 h ARG 59 Ca -0.12 -0.91 0.02 0.00 -1.11 0.00 0.00 59.98 57.85 2dk2 h ARG 59 Cb 0.46 0.33 -0.02 0.00 -0.01 0.00 0.00 29.97 30.73 2dk2 h ARG 59 CO 0.15 1.43 -0.12 0.78 -3.11 0.00 0.00 179.97 179.11 2dk2 h GLY 60 N 0.19 -0.16 0.71 2.80 0.00 -1.95 -0.73 103.07 103.94 2dk2 h GLY 60 Ca -0.24 0.14 0.17 0.00 0.00 0.00 0.00 47.33 47.40 2dk2 h GLY 60 CO 0.27 -0.12 0.48 0.00 0.00 0.00 0.00 176.54 177.16 2dk2 h ALA 61 N 0.73 2.46 0.06 3.60 0.00 -1.98 0.12 119.26 124.25 2dk2 h ALA 61 Ca 0.04 -0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 2dk2 h ALA 61 Cb 0.26 0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.10 2dk2 h ALA 61 CO -0.11 -0.78 -0.37 0.00 0.00 0.00 0.00 179.25 177.99 2dk2 h ALA 62 N 1.60 -0.03 0.13 0.00 0.00 -1.37 -3.05 119.26 116.54 2dk2 h ALA 62 Ca 0.28 -0.57 -0.01 0.00 0.00 0.00 0.00 54.91 54.61 2dk2 h ALA 62 Cb 1.23 0.04 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2dk2 h ALA 62 CO -0.00 0.17 -0.06 0.28 0.00 0.00 0.00 179.25 179.63 2dk2 h VAL 63 N -0.65 0.94 -0.33 0.00 2.07 0.03 0.11 116.25 118.42 2dk2 h VAL 63 Ca -0.06 -0.30 0.10 0.00 0.82 0.00 0.00 66.70 67.25 2dk2 h VAL 63 Cb 1.26 1.13 -0.01 0.00 -1.52 0.00 0.00 31.29 32.15 2dk2 h VAL 63 CO 0.07 0.07 0.24 0.50 0.02 0.00 0.00 177.57 178.47 2dk2 h LYS 64 N -0.32 0.00 0.04 1.57 3.11 -0.97 0.21 116.57 120.22 2dk2 h LYS 64 Ca -0.02 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.82 2dk2 h LYS 64 Cb 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.48 2dk2 h LYS 64 CO 0.03 0.00 -0.02 0.00 -2.81 0.00 0.00 179.45 176.65 2dk2 h ALA 65 N 1.83 -0.05 -0.19 5.00 0.00 -1.34 -3.32 119.26 121.17 2dk2 h ALA 65 Ca 0.16 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 55.09 2dk2 h ALA 65 Cb 0.64 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 2dk2 h ALA 65 CO -0.00 -0.05 0.20 1.98 0.00 0.00 0.00 179.25 181.37 2dk2 h MET 66 N -1.01 0.00 -0.48 0.00 1.85 -0.60 0.23 114.93 114.92 2dk2 h MET 66 Ca -0.01 0.00 0.04 0.00 -0.61 0.00 0.00 59.70 59.12 2dk2 h MET 66 Cb 0.09 0.00 -0.04 0.00 0.43 0.00 0.00 31.60 32.08 2dk2 h MET 66 CO 0.01 0.00 0.24 -0.44 -0.40 0.00 0.00 176.91 176.32 2dk2 h ASP 67 N 0.00 0.36 0.04 1.39 5.19 -0.68 -0.50 116.42 122.22 2dk2 h ASP 67 Ca 0.09 0.02 -0.32 0.00 -0.62 0.00 0.00 57.03 56.20 2dk2 h ASP 67 Cb 0.49 -0.04 -0.04 0.00 0.18 0.00 0.00 39.33 39.92 2dk2 h ASP 67 CO -0.00 0.25 -1.80 -0.62 -3.12 0.00 0.00 179.24 173.95 2dk2 n GLU 68 N -4.89 0.65 -0.18 3.56 -0.58 -0.63 -4.19 120.64 114.38 2dk2 n GLU 68 Ca 0.04 0.39 0.23 0.00 -0.42 0.00 0.00 57.16 57.39 2dk2 n GLU 68 Cb 0.12 -1.68 0.63 0.00 -0.57 0.00 0.00 31.44 29.93 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 -0.53 0.17 -5.56 3.49 2.86 -0.63 -3.40 114.93 111.33 2dk2 h MET 69 Ca -0.44 -0.01 -0.50 0.00 -2.06 0.00 0.00 59.70 56.68 2dk2 h MET 69 Cb 1.66 -0.04 -0.01 0.00 0.06 0.00 0.00 31.60 33.27 2dk2 h MET 69 CO -0.12 0.11 1.63 -1.71 1.06 0.00 0.00 176.91 177.88 2dk2 n ASN 70 N -4.39 1.97 -0.00 1.22 2.85 -0.20 -0.62 115.26 116.09 2dk2 n ASN 70 Ca 0.17 -0.21 0.00 0.00 -0.11 0.00 0.00 54.58 54.43 2dk2 n ASN 70 Cb 0.79 -1.42 0.00 0.00 1.24 0.00 0.00 39.78 40.39 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 6.15 1.70 3.97 8.20 0.00 -1.26 -5.02 105.19 118.92 2dk2 n GLY 71 Ca 0.43 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 46.07 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 -1.52 2.51 -0.42 1.61 -0.14 0.21 -5.01 119.74 116.98 2dk2 s LYS 72 Ca 0.00 -0.69 0.02 0.00 -1.36 0.00 0.00 55.97 53.94 2dk2 s LYS 72 Cb 0.00 -2.44 0.11 0.00 -1.68 0.00 0.00 37.83 33.82 2dk2 s LYS 72 CO 0.00 -0.78 0.16 -2.00 -0.76 0.00 0.00 175.35 171.97 2dk2 s GLU 73 N -4.83 1.79 -0.28 1.68 2.12 -1.26 -3.49 118.70 114.42 2dk2 s GLU 73 Ca 0.57 -2.07 -0.14 0.00 0.36 0.00 0.00 54.97 53.69 2dk2 s GLU 73 Cb -0.10 -3.36 -0.04 0.00 0.26 0.00 0.00 34.13 30.89 2dk2 s GLU 73 CO 0.39 -1.02 0.34 0.42 -0.54 0.00 0.00 175.26 174.85 2dk2 s ILE 74 N 0.63 5.20 -1.48 -3.70 1.01 -1.06 -4.27 121.20 117.53 2dk2 s ILE 74 Ca 0.12 0.42 -0.07 0.00 0.00 0.00 0.00 60.65 61.12 2dk2 s ILE 74 Cb -0.21 -3.69 0.02 0.00 0.01 0.00 0.00 42.46 38.60 2dk2 s ILE 74 CO -0.05 0.14 0.66 1.21 0.00 0.00 0.00 174.94 176.89 2dk2 n GLU 75 N 5.29 -4.93 -1.94 2.79 0.00 -1.26 -0.95 120.64 119.64 2dk2 n GLU 75 Ca -0.10 0.80 -0.17 0.00 0.00 0.00 0.00 57.16 57.69 2dk2 n GLU 75 Cb 0.51 -5.65 -0.04 0.00 0.00 0.00 0.00 31.44 26.26 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 -1.51 0.59 3.22 8.31 0.00 -1.26 -4.99 105.19 109.55 2dk2 n GLY 76 Ca -0.07 -0.19 -0.28 0.00 0.00 0.00 0.00 46.02 45.48 2dk2 n GLY 76 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2dk2 s GLU 77 N -4.21 1.97 -0.41 1.61 0.41 -0.12 -5.08 118.70 112.87 2dk2 s GLU 77 Ca 0.00 -0.77 -0.28 0.00 -0.41 0.00 0.00 54.97 53.51 2dk2 s GLU 77 Cb 0.00 -1.79 -0.01 0.00 -1.78 0.00 0.00 34.13 30.55 2dk2 s GLU 77 CO 0.00 0.39 1.74 -1.21 -0.49 0.00 0.00 175.26 175.69 2dk2 s GLU 78 N -0.28 3.22 -0.09 1.61 2.02 -1.26 -2.55 118.70 121.36 2dk2 s GLU 78 Ca 0.02 1.15 -0.09 0.00 0.02 0.00 0.00 54.97 56.07 2dk2 s GLU 78 Cb -0.11 -4.21 -0.04 0.00 0.10 0.00 0.00 34.13 29.87 2dk2 s GLU 78 CO 0.01 -2.01 0.22 0.96 0.02 0.00 0.00 175.26 174.46 2dk2 s ILE 79 N 7.13 5.37 0.15 -1.63 -5.25 -1.23 -4.74 121.20 121.00 2dk2 s ILE 79 Ca 0.74 0.39 0.07 0.00 -0.99 0.00 0.00 60.65 60.86 2dk2 s ILE 79 Cb -0.19 -3.49 -0.04 0.00 2.95 0.00 0.00 42.46 41.69 2dk2 s ILE 79 CO 0.30 0.61 -0.00 -0.70 -1.79 0.00 0.00 174.94 173.36 2dk2 s GLU 80 N -1.02 2.43 -0.03 0.37 -6.30 0.28 -4.22 118.70 110.20 2dk2 s GLU 80 Ca 0.17 -1.03 -0.02 0.00 -2.50 0.00 0.00 54.97 51.59 2dk2 s GLU 80 Cb -0.13 -2.40 0.02 0.00 0.00 0.00 0.00 34.13 31.61 2dk2 s GLU 80 CO 0.07 0.48 0.07 0.42 0.02 0.00 0.00 175.26 176.32 2dk2 s ILE 81 N -1.60 -0.03 -0.06 -3.70 1.01 -1.26 -0.56 121.20 115.00 2dk2 s ILE 81 Ca 0.27 0.10 -0.14 0.00 0.00 0.00 0.00 60.65 60.88 2dk2 s ILE 81 Cb -0.10 -0.12 0.03 0.00 0.01 0.00 0.00 42.46 42.27 2dk2 s ILE 81 CO 0.18 0.04 0.32 0.68 0.00 0.00 0.00 174.94 176.16 2dk2 s VAL 82 N 0.56 0.03 -0.13 2.92 -7.23 -0.65 -5.00 120.40 110.91 2dk2 s VAL 82 Ca -0.04 -0.28 -0.29 0.00 -1.81 0.00 0.00 61.98 59.56 2dk2 s VAL 82 Cb -0.06 -0.56 -0.05 0.00 0.56 0.00 0.00 36.38 36.27 2dk2 s VAL 82 CO -0.02 -0.15 1.76 -0.76 -0.31 0.00 0.00 175.10 175.62 2dk2 s LEU 83 N -0.70 4.06 -0.64 1.32 1.43 -1.26 -1.04 118.68 121.84 2dk2 s LEU 83 Ca -0.08 2.02 -0.27 0.00 -1.03 0.00 0.00 54.13 54.76 2dk2 s LEU 83 Cb -0.04 -3.53 0.02 0.00 0.03 0.00 0.00 46.19 42.67 2dk2 s LEU 83 CO 0.03 -1.21 1.40 0.00 0.23 0.00 0.00 176.35 176.79 2dk2 s ALA 84 N 5.13 2.72 0.31 4.21 0.00 -1.06 -4.89 121.76 128.18 2dk2 s ALA 84 Ca 0.79 -0.97 -0.12 0.00 0.00 0.00 0.00 51.96 51.66 2dk2 s ALA 84 Cb -0.31 -4.19 -0.08 0.00 0.00 0.00 0.00 23.12 18.54 2dk2 s ALA 84 CO 0.32 -3.18 0.68 -1.59 0.00 0.00 0.00 175.76 171.99 2dk2 s LYS 85 N 5.75 3.88 0.96 0.00 0.00 -1.26 -4.71 119.74 124.36 2dk2 s LYS 85 Ca 0.46 0.48 -0.12 0.00 0.00 0.00 0.00 55.97 56.80 2dk2 s LYS 85 Cb -0.10 -2.49 0.16 0.00 0.00 0.00 0.00 37.83 35.41 2dk2 s LYS 85 CO 0.20 0.16 1.09 -1.25 0.00 0.00 0.00 175.35 175.56 2dk2 s PRO 86 N -3.15 0.75 1.00 1.78 0.04 -1.26 -5.04 135.00 129.13 2dk2 s PRO 86 Ca 0.51 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 62.06 2dk2 s PRO 86 Cb -0.10 -1.77 0.19 0.00 0.04 0.00 0.00 34.50 32.86 2dk2 s PRO 86 CO 0.22 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.56 2dk2 s PRO 87 N -4.95 0.38 0.07 0.56 0.04 -1.26 -5.08 135.00 124.76 2dk2 s PRO 87 Ca 0.65 0.51 0.06 0.00 0.04 0.00 0.00 61.00 62.26 2dk2 s PRO 87 Cb -0.18 -1.73 -0.03 0.00 0.04 0.00 0.00 34.50 32.60 2dk2 s PRO 87 CO 0.57 -2.76 -0.16 -0.51 0.04 0.00 0.00 177.00 174.18 2dk2 s ASP 88 N -3.44 1.91 0.11 6.66 1.01 -1.26 -5.13 116.67 116.52 2dk2 s ASP 88 Ca 0.65 -0.59 -0.30 0.00 0.71 0.00 0.00 52.55 53.02 2dk2 s ASP 88 Cb -0.19 -0.09 -0.06 0.00 1.01 0.00 0.00 42.92 43.59 2dk2 s ASP 88 CO 0.58 -0.01 1.09 -0.54 0.21 0.00 0.00 175.17 176.50 2dk2 s LYS 89 N -1.61 4.56 0.27 8.23 1.02 -1.26 -5.04 119.74 125.90 2dk2 s LYS 89 Ca 0.01 1.65 -0.02 0.00 0.02 0.00 0.00 55.97 57.64 2dk2 s LYS 89 Cb -0.09 -3.34 -0.04 0.00 -0.52 0.00 0.00 37.83 33.83 2dk2 s LYS 89 CO 0.02 -0.02 0.48 0.15 -0.92 0.00 0.00 175.35 175.07 2dk2 s LYS 90 N 0.30 3.54 -0.30 1.68 1.02 -1.26 -5.10 119.74 119.62 2dk2 s LYS 90 Ca 0.52 -0.25 -0.12 0.00 0.02 0.00 0.00 55.97 56.15 2dk2 s LYS 90 Cb -0.27 -2.73 0.12 0.00 -0.52 0.00 0.00 37.83 34.43 2dk2 s LYS 90 CO 0.31 0.28 0.70 0.50 -0.92 0.00 0.00 175.35 176.22 2dk2 s ARG 91 N -3.68 0.57 0.41 1.68 6.06 -1.26 -5.18 118.95 117.56 2dk2 s ARG 91 Ca 0.40 1.32 0.06 0.00 -2.50 0.00 0.00 55.73 55.02 2dk2 s ARG 91 Cb -0.10 0.67 0.06 0.00 0.06 0.00 0.00 34.95 35.64 2dk2 s ARG 91 CO 0.31 -0.18 0.53 0.43 -2.50 0.00 0.00 175.30 173.90 2dk2 n SER 92 N 5.13 1.60 0.00 -2.12 7.64 -1.26 -5.08 113.62 119.53 2dk2 n SER 92 Ca -0.13 -2.13 0.00 0.00 1.01 0.00 0.00 58.87 57.62 2dk2 n SER 92 Cb 0.52 -0.27 0.00 0.00 -1.01 0.00 0.00 64.21 63.45 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 0.01 -1.02 3.70 0.23 0.00 -1.26 -5.17 105.19 101.68 2dk2 n GLY 93 Ca 0.10 0.36 -0.29 0.00 0.00 0.00 0.00 46.02 46.19 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 0.83 0.29 1.61 0.04 -1.26 -5.07 135.00 131.44 2dk2 s PRO 94 Ca 0.00 0.66 -0.01 0.00 0.04 0.00 0.00 61.00 61.69 2dk2 s PRO 94 Cb 0.00 -1.77 0.06 0.00 0.04 0.00 0.00 34.50 32.83 2dk2 s PRO 94 CO 0.00 -2.49 0.40 0.45 0.04 0.00 0.00 177.00 175.39 2dk2 n SER 95 N -4.03 0.47 -4.35 6.66 2.88 -1.26 -5.08 113.62 108.91 2dk2 n SER 95 Ca 0.06 -1.41 -0.36 0.00 -1.33 0.00 0.00 58.87 55.83 2dk2 n SER 95 Cb 0.56 -0.26 -0.13 0.00 -0.75 0.00 0.00 64.21 63.63 2dk2 n SER 95 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 2dk2 s SER 96 N -2.59 4.66 0.00 -3.46 1.04 -1.26 -5.35 113.70 106.73 2dk2 s SER 96 Ca 0.26 -0.41 0.00 0.00 0.48 0.00 0.00 55.95 56.27 2dk2 s SER 96 Cb -0.01 -1.81 0.00 0.00 0.10 0.00 0.00 66.02 64.30 2dk2 s SER 96 CO 0.17 -0.06 0.05 0.61 0.98 0.00 0.00 173.24 175.00