#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dhj s SER 2 N 0.00 0.86 -0.24 1.61 0.15 -1.26 -5.12 113.70 109.70 2dhj s SER 2 Ca 0.00 -0.03 -0.02 0.00 0.70 0.00 0.00 55.95 56.60 2dhj s SER 2 Cb 0.00 -0.27 0.08 0.00 -1.71 0.00 0.00 66.02 64.11 2dhj s SER 2 CO 0.00 -0.15 0.06 -0.44 1.20 0.00 0.00 173.24 173.91 2dhj s SER 3 N 1.44 3.37 0.00 5.45 0.01 -1.26 -5.05 113.70 117.66 2dhj s SER 3 Ca -0.04 -1.14 0.00 0.00 1.31 0.00 0.00 55.95 56.09 2dhj s SER 3 Cb -0.13 -0.70 0.00 0.00 0.21 0.00 0.00 66.02 65.40 2dhj s SER 3 CO -0.03 -0.35 0.00 0.61 0.41 0.00 0.00 173.24 173.89 2dhj n GLY 4 N 4.98 -1.00 3.76 3.44 0.00 -1.26 -4.96 105.19 110.14 2dhj n GLY 4 Ca -0.07 0.91 -0.39 0.00 0.00 0.00 0.00 46.02 46.47 2dhj n GLY 4 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2dhj s SER 5 N 0.00 5.64 1.15 1.61 1.04 -1.26 -4.99 113.70 116.89 2dhj s SER 5 Ca 0.00 2.82 -0.15 0.00 0.48 0.00 0.00 55.95 59.10 2dhj s SER 5 Cb 0.00 -2.64 0.26 0.00 0.10 0.00 0.00 66.02 63.74 2dhj s SER 5 CO 0.00 -1.33 1.05 -0.94 0.98 0.00 0.00 173.24 173.00 2dhj s SER 6 N -0.74 1.26 0.00 7.02 1.04 -1.26 -4.95 113.70 116.07 2dhj s SER 6 Ca 0.66 1.13 0.00 0.00 0.48 0.00 0.00 55.95 58.21 2dhj s SER 6 Cb -0.42 -1.73 0.00 0.00 0.10 0.00 0.00 66.02 63.98 2dhj s SER 6 CO 0.52 -3.97 0.00 0.61 0.98 0.00 0.00 173.24 171.38 2dhj n GLY 7 N -0.16 0.08 3.93 7.32 0.00 -1.26 -5.13 105.19 109.96 2dhj n GLY 7 Ca 0.06 -1.24 -0.25 0.00 0.00 0.00 0.00 46.02 44.59 2dhj n GLY 7 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2dhj s ASP 8 N -4.00 6.14 0.13 1.61 -1.08 -1.26 -5.01 116.67 113.20 2dhj s ASP 8 Ca 0.00 0.65 -0.33 0.00 -0.52 0.00 0.00 52.55 52.35 2dhj s ASP 8 Cb 0.00 -2.01 -0.13 0.00 -1.46 0.00 0.00 42.92 39.32 2dhj s ASP 8 CO 0.00 -0.56 1.66 0.00 0.52 0.00 0.00 175.17 176.79 2dhj n ALA 9 N -2.11 1.58 -0.12 3.66 0.00 -1.26 -4.77 120.51 117.48 2dhj n ALA 9 Ca -0.01 0.41 -0.06 0.00 0.00 0.00 0.00 53.44 53.78 2dhj n ALA 9 Cb 0.56 -2.41 0.02 0.00 0.00 0.00 0.00 19.45 17.62 2dhj n ALA 9 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj h ALA 10 N 6.68 0.46 -2.73 0.00 0.00 -0.95 -3.46 119.26 119.27 2dhj h ALA 10 Ca -0.45 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 2dhj h ALA 10 Cb 1.25 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.91 2dhj h ALA 10 CO 0.91 -0.22 -0.18 0.21 0.00 0.00 0.00 179.25 179.96 2dhj s LYS 11 N -6.15 1.25 -0.17 0.00 2.20 -1.03 -5.03 119.74 110.81 2dhj s LYS 11 Ca -0.13 -1.06 -0.28 0.00 -0.36 0.00 0.00 55.97 54.14 2dhj s LYS 11 Cb 0.12 0.43 0.07 0.00 -1.51 0.00 0.00 37.83 36.95 2dhj s LYS 11 CO 0.72 -0.49 0.72 -1.83 -0.36 0.00 0.00 175.35 174.11 2dhj s GLU 12 N -3.94 0.92 0.00 4.03 -1.05 -1.26 -1.02 118.70 116.39 2dhj s GLU 12 Ca 0.14 0.63 0.00 0.00 -0.15 0.00 0.00 54.97 55.59 2dhj s GLU 12 Cb 0.02 0.44 0.00 0.00 -0.44 0.00 0.00 34.13 34.15 2dhj s GLU 12 CO -0.01 -0.20 0.00 0.41 0.95 0.00 0.00 175.26 176.41 2dhj n GLY 13 N 1.82 2.01 3.68 -3.83 0.00 -1.05 -5.05 105.19 102.76 2dhj n GLY 13 Ca -0.16 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.74 2dhj n GLY 13 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 2dhj s TRP 14 N -2.00 3.06 0.00 1.61 0.52 -1.26 -2.27 118.94 118.60 2dhj s TRP 14 Ca 0.00 1.14 -0.05 0.00 0.02 0.00 0.00 56.10 57.21 2dhj s TRP 14 Cb 0.00 -3.45 -0.00 0.00 -1.15 0.00 0.00 33.47 28.87 2dhj s TRP 14 CO 0.00 -1.43 0.10 -0.51 0.02 0.00 0.00 176.95 175.12 2dhj s LEU 15 N 2.77 1.71 -0.44 2.99 1.43 -1.25 -4.67 118.68 121.22 2dhj s LEU 15 Ca 0.55 -0.25 -0.29 0.00 -1.03 0.00 0.00 54.13 53.11 2dhj s LEU 15 Cb -0.23 0.53 0.02 0.00 0.03 0.00 0.00 46.19 46.54 2dhj s LEU 15 CO 0.18 -0.33 1.20 -1.00 0.23 0.00 0.00 176.35 176.63 2dhj s HIS 16 N -1.31 2.74 -0.33 0.29 3.76 -1.10 -3.03 115.29 116.31 2dhj s HIS 16 Ca -0.14 0.76 -0.17 0.00 -0.15 0.00 0.00 55.06 55.35 2dhj s HIS 16 Cb -0.08 -4.32 -0.01 0.00 1.11 0.00 0.00 32.58 29.28 2dhj s HIS 16 CO 0.01 -1.41 0.48 0.12 -0.85 0.00 0.00 174.74 173.09 2dhj s PHE 17 N 4.60 3.20 -0.34 1.40 5.36 0.41 -2.77 117.98 129.84 2dhj s PHE 17 Ca 0.51 0.24 -0.01 0.00 -0.96 0.00 0.00 56.93 56.71 2dhj s PHE 17 Cb -0.09 -2.82 0.11 0.00 -0.34 0.00 0.00 43.02 39.88 2dhj s PHE 17 CO 0.30 -0.45 0.15 0.50 -1.46 0.00 0.00 175.22 174.26 2dhj s ARG 18 N 2.30 0.71 0.35 10.12 3.52 -1.05 -1.57 118.95 133.32 2dhj s ARG 18 Ca 0.18 -1.21 -0.27 0.00 -0.13 0.00 0.00 55.73 54.29 2dhj s ARG 18 Cb -0.16 -1.79 -0.09 0.00 -1.56 0.00 0.00 34.95 31.35 2dhj s ARG 18 CO 0.12 -1.07 1.21 -1.25 -0.81 0.00 0.00 175.30 173.50 2dhj s PRO 19 N 1.35 4.29 -0.07 5.12 0.04 -1.26 0.07 135.00 144.53 2dhj s PRO 19 Ca 0.13 1.99 -0.26 0.00 0.04 0.00 0.00 61.00 62.90 2dhj s PRO 19 Cb -0.20 -2.94 -0.21 0.00 0.04 0.00 0.00 34.50 31.20 2dhj s PRO 19 CO -0.17 -0.17 1.03 -0.07 0.04 0.00 0.00 177.00 177.66 2dhj h LEU 20 N 3.16 -0.03 -7.00 -3.56 -0.00 -1.14 -3.46 115.31 103.28 2dhj h LEU 20 Ca -0.48 -0.62 0.08 0.00 -0.00 0.00 0.00 57.88 56.86 2dhj h LEU 20 Cb 1.23 0.01 -0.27 0.00 -0.00 0.00 0.00 40.66 41.63 2dhj h LEU 20 CO 0.64 0.63 0.48 0.54 -0.00 0.00 0.00 178.44 180.73 2dhj s VAL 21 N -3.44 0.00 -0.17 1.22 0.11 -1.24 -5.02 120.40 111.87 2dhj s VAL 21 Ca -0.16 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 58.89 2dhj s VAL 21 Cb -0.00 -1.00 -0.10 0.00 -1.53 0.00 0.00 36.38 33.74 2dhj s VAL 21 CO 0.64 0.00 -0.16 0.35 -3.33 0.00 0.00 175.10 172.60 2dhj n THR 22 N 2.35 0.95 -3.92 5.04 -2.24 -1.26 -4.32 114.28 110.89 2dhj n THR 22 Ca -0.13 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 60.99 2dhj n THR 22 Cb 0.56 -1.16 -0.13 0.00 -2.10 0.00 0.00 70.33 67.50 2dhj n THR 22 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2dhj s ASP 23 N -5.71 4.47 -0.04 3.42 1.01 -1.26 -4.95 116.67 113.60 2dhj s ASP 23 Ca -0.23 -2.96 -0.21 0.00 0.71 0.00 0.00 52.55 49.86 2dhj s ASP 23 Cb 0.06 -1.67 -0.15 0.00 1.01 0.00 0.00 42.92 42.16 2dhj s ASP 23 CO 0.37 -0.26 0.91 0.50 0.21 0.00 0.00 175.17 176.91 2dhj h LYS 24 N 6.62 -0.24 -0.69 8.23 3.11 -2.00 -3.30 116.57 128.30 2dhj h LYS 24 Ca -0.07 0.02 0.13 0.00 -2.81 0.00 0.00 60.65 57.92 2dhj h LYS 24 Cb 0.90 0.05 -0.09 0.00 -1.00 0.00 0.00 32.23 32.10 2dhj h LYS 24 CO 0.69 0.16 0.21 0.78 -2.81 0.00 0.00 179.45 178.48 2dhj h GLY 25 N -0.85 0.97 -1.70 5.01 0.00 -2.03 -3.42 103.07 101.04 2dhj h GLY 25 Ca -0.03 -0.08 -0.48 0.00 0.00 0.00 0.00 47.33 46.74 2dhj h GLY 25 CO 0.04 -0.11 0.38 1.25 0.00 0.00 0.00 176.54 178.10 2dhj s LYS 26 N -6.06 3.75 -0.12 4.80 2.47 -1.24 -5.01 119.74 118.33 2dhj s LYS 26 Ca -0.13 1.00 -0.30 0.00 -1.56 0.00 0.00 55.97 54.98 2dhj s LYS 26 Cb 0.19 -2.10 -0.01 0.00 -1.46 0.00 0.00 37.83 34.45 2dhj s LYS 26 CO 0.75 -0.44 1.06 0.50 0.16 0.00 0.00 175.35 177.38 2dhj s ARG 27 N -4.18 4.38 -0.08 4.03 3.52 -1.26 -4.90 118.95 120.46 2dhj s ARG 27 Ca 0.60 1.45 -0.03 0.00 -0.13 0.00 0.00 55.73 57.62 2dhj s ARG 27 Cb -0.11 -3.57 0.04 0.00 -1.56 0.00 0.00 34.95 29.75 2dhj s ARG 27 CO 0.35 -0.41 0.10 0.08 -0.81 0.00 0.00 175.30 174.61 2dhj s VAL 28 N 2.30 -0.16 0.34 7.11 1.01 -1.26 -5.13 120.40 124.61 2dhj s VAL 28 Ca 0.49 0.32 -0.06 0.00 0.00 0.00 0.00 61.98 62.73 2dhj s VAL 28 Cb -0.19 -0.27 0.09 0.00 0.00 0.00 0.00 36.38 36.01 2dhj s VAL 28 CO 0.17 0.10 0.23 0.61 0.00 0.00 0.00 175.10 176.21 2dhj n GLY 29 N 5.31 -3.39 3.77 4.51 0.00 -1.26 -4.92 105.19 109.21 2dhj n GLY 29 Ca -0.04 -1.31 -0.40 0.00 0.00 0.00 0.00 46.02 44.27 2dhj n GLY 29 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2dhj s GLY 30 N -2.49 2.95 -0.45 -0.02 0.00 -1.26 -4.79 107.32 101.25 2dhj s GLY 30 Ca 0.17 1.34 -0.40 0.00 0.00 0.00 0.00 44.72 45.82 2dhj s GLY 30 CO 0.14 1.96 1.84 -1.26 0.00 0.00 0.00 173.10 175.78 2dhj n SER 31 N 0.29 0.75 -0.28 1.64 2.88 -1.26 -4.74 113.62 112.90 2dhj n SER 31 Ca 0.03 0.69 0.02 0.00 -1.33 0.00 0.00 58.87 58.28 2dhj n SER 31 Cb 0.42 -0.81 0.08 0.00 -0.75 0.00 0.00 64.21 63.15 2dhj n SER 31 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 2dhj n ILE 32 N 5.46 -0.35 -4.30 2.46 -0.00 -1.26 -4.44 119.36 116.92 2dhj n ILE 32 Ca 0.46 1.77 -0.19 0.00 -0.00 0.00 0.00 62.75 64.78 2dhj n ILE 32 Cb -0.04 -2.40 -0.11 0.00 -0.00 0.00 0.00 39.64 37.09 2dhj n ILE 32 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 2dhj s ARG 33 N -5.87 1.20 0.00 0.38 1.81 -1.26 -5.16 118.95 110.05 2dhj s ARG 33 Ca -0.11 -1.40 0.00 0.00 -1.72 0.00 0.00 55.73 52.50 2dhj s ARG 33 Cb 0.19 -1.12 0.00 0.00 -0.45 0.00 0.00 34.95 33.57 2dhj s ARG 33 CO 0.58 0.21 0.00 -0.35 -0.68 0.00 0.00 175.30 175.06 2dhj n PRO 34 N 0.19 -0.00 -1.04 3.54 -0.04 -1.26 -4.86 135.00 131.54 2dhj n PRO 34 Ca -0.13 0.00 -0.39 0.00 -0.04 0.00 0.00 63.50 62.94 2dhj n PRO 34 Cb 0.58 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.99 2dhj n PRO 34 CO 0.00 0.00 0.00 0.91 -0.04 0.00 0.00 175.50 176.37 2dhj n TRP 35 N -1.50 0.17 -3.60 0.54 7.02 -1.26 -4.88 117.44 113.93 2dhj n TRP 35 Ca 0.00 0.73 -0.40 0.00 -1.02 0.00 0.00 57.50 56.81 2dhj n TRP 35 Cb 0.00 -1.45 -0.09 0.00 -2.42 0.00 0.00 31.31 27.35 2dhj n TRP 35 CO 0.00 0.00 0.00 0.15 -2.02 0.00 0.00 177.69 175.82 2dhj s LYS 36 N -0.25 2.51 -0.47 -0.99 1.02 -0.61 -4.92 119.74 116.03 2dhj s LYS 36 Ca 0.58 -1.61 -0.29 0.00 0.02 0.00 0.00 55.97 54.67 2dhj s LYS 36 Cb -0.81 -3.82 0.01 0.00 -0.52 0.00 0.00 37.83 32.69 2dhj s LYS 36 CO 0.40 -1.06 1.38 -1.14 -0.92 0.00 0.00 175.35 174.01 2dhj s GLN 37 N 1.38 3.50 -0.10 1.68 0.74 -1.26 -0.45 119.66 125.15 2dhj s GLN 37 Ca 0.04 0.75 -0.08 0.00 0.05 0.00 0.00 55.36 56.12 2dhj s GLN 37 Cb -0.24 -4.04 0.03 0.00 1.10 0.00 0.00 33.01 29.86 2dhj s GLN 37 CO 0.00 -1.66 0.26 0.00 -0.55 0.00 0.00 175.29 173.34 2dhj s MET 38 N 5.06 0.27 -0.36 1.67 0.23 -1.17 -4.87 119.30 120.13 2dhj s MET 38 Ca 0.57 0.42 -0.38 0.00 -1.03 0.00 0.00 55.69 55.28 2dhj s MET 38 Cb -0.12 0.06 -0.14 0.00 -1.53 0.00 0.00 34.83 33.11 2dhj s MET 38 CO 0.30 -0.08 2.10 0.98 -2.03 0.00 0.00 175.02 176.30 2dhj n TYR 39 N 3.36 1.61 -3.64 3.16 9.36 0.54 -3.94 117.16 127.62 2dhj n TYR 39 Ca -0.17 0.41 -0.37 0.00 3.32 0.00 0.00 57.90 61.10 2dhj n TYR 39 Cb 0.57 -2.47 -0.10 0.00 -0.63 0.00 0.00 39.34 36.70 2dhj n TYR 39 CO 0.00 0.00 0.00 0.08 0.22 0.00 0.00 176.86 177.16 2dhj s VAL 40 N 6.36 5.29 -0.07 2.97 1.01 -0.96 0.70 120.40 135.69 2dhj s VAL 40 Ca 1.09 0.16 0.02 0.00 0.00 0.00 0.00 61.98 63.25 2dhj s VAL 40 Cb -1.02 -3.49 -0.03 0.00 0.00 0.00 0.00 36.38 31.84 2dhj s VAL 40 CO 0.55 0.30 -0.11 -0.69 0.00 0.00 0.00 175.10 175.16 2dhj s VAL 41 N 1.41 3.33 -0.31 2.92 1.01 0.13 -2.53 120.40 126.37 2dhj s VAL 41 Ca 0.07 -0.61 -0.05 0.00 0.00 0.00 0.00 61.98 61.39 2dhj s VAL 41 Cb -0.15 -2.35 0.03 0.00 0.00 0.00 0.00 36.38 33.91 2dhj s VAL 41 CO 0.08 0.58 0.06 -0.22 0.00 0.00 0.00 175.10 175.59 2dhj s LEU 42 N -0.52 3.93 -0.34 3.92 2.96 -0.18 0.15 118.68 128.59 2dhj s LEU 42 Ca 0.07 -0.98 0.04 0.00 -0.22 0.00 0.00 54.13 53.04 2dhj s LEU 42 Cb -0.12 -1.82 0.10 0.00 0.50 0.00 0.00 46.19 44.86 2dhj s LEU 42 CO 0.02 -0.24 0.06 -0.13 -1.32 0.00 0.00 176.35 174.73 2dhj s ARG 43 N 1.40 1.42 3.44 1.98 0.52 0.42 -0.20 118.95 127.92 2dhj s ARG 43 Ca -0.01 -1.82 0.00 0.00 -0.52 0.00 0.00 55.73 53.38 2dhj s ARG 43 Cb -0.18 -3.10 0.00 0.00 0.52 0.00 0.00 34.95 32.19 2dhj s ARG 43 CO 0.01 -0.95 0.00 0.41 0.02 0.00 0.00 175.30 174.79 2dhj n GLY 44 N 4.28 1.12 0.03 -3.53 0.00 -1.26 -1.66 105.19 104.16 2dhj n GLY 44 Ca 0.03 0.33 0.01 0.00 0.00 0.00 0.00 46.02 46.39 2dhj n GLY 44 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2dhj n HIS 45 N 0.00 0.00 -4.81 1.61 -0.00 -1.26 -4.60 115.22 106.16 2dhj n HIS 45 Ca 0.00 -0.44 -0.29 0.00 -0.00 0.00 0.00 57.72 56.99 2dhj n HIS 45 Cb 0.00 -0.05 -0.14 0.00 -0.00 0.00 0.00 29.99 29.79 2dhj n HIS 45 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 2dhj s SER 46 N -1.04 2.94 -0.31 4.39 0.01 -0.66 0.02 113.70 119.04 2dhj s SER 46 Ca 0.04 -0.57 -0.01 0.00 1.31 0.00 0.00 55.95 56.72 2dhj s SER 46 Cb 0.04 -0.26 0.06 0.00 0.21 0.00 0.00 66.02 66.07 2dhj s SER 46 CO 0.00 0.23 0.02 -0.76 0.41 0.00 0.00 173.24 173.14 2dhj s LEU 47 N -1.23 4.08 -0.35 2.44 1.43 -1.22 -0.43 118.68 123.40 2dhj s LEU 47 Ca 0.10 -1.43 -0.17 0.00 -1.03 0.00 0.00 54.13 51.61 2dhj s LEU 47 Cb -0.10 -1.71 -0.01 0.00 0.03 0.00 0.00 46.19 44.41 2dhj s LEU 47 CO 0.02 -0.30 0.44 -0.31 0.23 0.00 0.00 176.35 176.43 2dhj s TYR 48 N 1.20 3.19 0.29 0.29 2.02 0.12 -2.89 117.35 121.58 2dhj s TYR 48 Ca -0.03 0.04 0.00 0.00 -0.37 0.00 0.00 57.07 56.71 2dhj s TYR 48 Cb -0.20 -2.81 -0.04 0.00 -0.40 0.00 0.00 41.96 38.52 2dhj s TYR 48 CO -0.02 -0.50 0.48 -0.51 -1.57 0.00 0.00 175.55 173.43 2dhj s LEU 49 N 2.20 4.12 -0.20 -1.29 1.02 -1.26 0.22 118.68 123.48 2dhj s LEU 49 Ca 0.15 0.41 -0.14 0.00 0.02 0.00 0.00 54.13 54.57 2dhj s LEU 49 Cb -0.16 -3.24 0.06 0.00 0.02 0.00 0.00 46.19 42.87 2dhj s LEU 49 CO 0.13 -0.19 0.51 -0.31 0.02 0.00 0.00 176.35 176.51 2dhj s TYR 50 N -2.13 -0.67 0.21 0.29 1.51 0.22 -4.77 117.35 112.01 2dhj s TYR 50 Ca 0.39 1.49 -0.09 0.00 -1.01 0.00 0.00 57.07 57.84 2dhj s TYR 50 Cb -0.10 0.30 0.17 0.00 -0.11 0.00 0.00 41.96 42.22 2dhj s TYR 50 CO 0.33 -0.35 1.86 0.87 -1.11 0.00 0.00 175.55 177.15 2dhj h LYS 51 N 6.28 1.07 -4.09 -0.62 1.57 -1.89 1.59 116.57 120.48 2dhj h LYS 51 Ca -0.31 -0.09 -0.43 0.00 -1.87 0.00 0.00 60.65 57.95 2dhj h LYS 51 Cb 1.19 -0.23 -0.34 0.00 0.08 0.00 0.00 32.23 32.93 2dhj h LYS 51 CO 0.22 0.74 -0.78 0.34 -0.57 0.00 0.00 179.45 179.40 2dhj s ASP 52 N -6.00 1.09 0.02 0.86 2.15 -1.26 -4.41 116.67 109.13 2dhj s ASP 52 Ca -0.13 -0.15 -0.19 0.00 0.43 0.00 0.00 52.55 52.51 2dhj s ASP 52 Cb 0.15 -0.51 -0.22 0.00 -0.30 0.00 0.00 42.92 42.05 2dhj s ASP 52 CO 0.79 -0.05 1.14 0.50 -0.17 0.00 0.00 175.17 177.39 2dhj h LYS 53 N 7.19 0.44 -0.89 4.34 3.64 -1.95 -3.26 116.57 126.08 2dhj h LYS 53 Ca -0.36 -0.43 0.35 0.00 -1.27 0.00 0.00 60.65 58.94 2dhj h LYS 53 Cb 1.16 0.11 -0.13 0.00 -0.41 0.00 0.00 32.23 32.95 2dhj h LYS 53 CO 0.46 1.08 0.52 0.54 -2.27 0.00 0.00 179.45 179.78 2dhj n ARG 54 N -4.23 -0.04 -3.67 1.90 1.74 -1.26 -4.19 116.66 106.90 2dhj n ARG 54 Ca -0.09 1.05 -0.09 0.00 -0.77 0.00 0.00 57.85 57.95 2dhj n ARG 54 Cb 0.64 -1.95 -0.09 0.00 -1.02 0.00 0.00 32.46 30.04 2dhj n ARG 54 CO 0.00 0.00 0.00 -1.21 -1.52 0.00 0.00 177.63 174.90 2dhj s GLU 55 N -5.10 0.53 -0.12 5.56 8.01 -1.23 -5.03 118.70 121.32 2dhj s GLU 55 Ca -0.07 0.99 0.00 0.00 0.01 0.00 0.00 54.97 55.90 2dhj s GLU 55 Cb 0.26 0.06 0.11 0.00 -4.31 0.00 0.00 34.13 30.25 2dhj s GLU 55 CO 0.63 -0.16 1.71 1.04 0.01 0.00 0.00 175.26 178.49 2dhj n GLN 56 N 4.31 1.31 0.02 1.61 6.02 -1.26 -3.87 117.38 125.53 2dhj n GLN 56 Ca -0.22 -0.66 0.06 0.00 -0.01 0.00 0.00 57.00 56.18 2dhj n GLN 56 Cb 0.57 -1.26 -0.10 0.00 1.02 0.00 0.00 30.24 30.47 2dhj n GLN 56 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2dhj n THR 57 N 0.69 0.65 -0.86 5.09 5.66 -1.26 -4.89 114.28 119.36 2dhj n THR 57 Ca 0.13 -0.61 -0.27 0.00 -3.05 0.00 0.00 64.05 60.25 2dhj n THR 57 Cb 0.61 -0.34 0.01 0.00 -1.55 0.00 0.00 70.33 69.06 2dhj n THR 57 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 2dhj n THR 58 N -2.60 0.00 0.17 1.09 -2.24 -1.25 -4.81 114.28 104.65 2dhj n THR 58 Ca -0.08 -0.35 0.02 0.00 -2.27 0.00 0.00 64.05 61.38 2dhj n THR 58 Cb 0.70 0.00 0.31 0.00 -2.10 0.00 0.00 70.33 69.25 2dhj n THR 58 CO 0.00 0.00 0.00 1.55 -0.57 0.00 0.00 175.07 176.05 2dhj h PRO 59 N -0.07 0.00 0.00 -0.78 0.13 -1.98 -2.62 132.00 126.69 2dhj h PRO 59 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 2dhj h PRO 59 Cb 1.00 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.13 2dhj h PRO 59 CO 0.28 0.44 0.00 0.45 -0.23 0.00 0.00 178.00 178.94 2dhj n SER 60 N -3.88 0.11 0.07 1.44 2.88 -1.26 -3.62 113.62 109.37 2dhj n SER 60 Ca -0.01 0.51 0.21 0.00 -1.33 0.00 0.00 58.87 58.24 2dhj n SER 60 Cb 0.48 -0.54 0.69 0.00 -0.75 0.00 0.00 64.21 64.10 2dhj n SER 60 CO 0.00 0.00 0.00 1.05 -1.23 0.00 0.00 175.04 174.86 2dhj h GLU 61 N 0.00 0.00 -0.22 -1.46 -0.00 -1.76 0.31 114.58 111.44 2dhj h GLU 61 Ca 0.00 0.00 0.02 0.00 -0.00 0.00 0.00 59.36 59.38 2dhj h GLU 61 Cb 0.52 0.00 -0.01 0.00 -0.00 0.00 0.00 28.75 29.26 2dhj h GLU 61 CO 0.00 0.00 0.15 0.93 -0.00 0.00 0.00 179.01 180.09 2dhj h GLU 62 N 0.00 0.21 -3.76 1.06 4.39 -1.79 -3.44 114.58 111.25 2dhj h GLU 62 Ca 0.22 -0.01 -0.48 0.00 0.34 0.00 0.00 59.36 59.42 2dhj h GLU 62 Cb 1.34 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 29.92 2dhj h GLU 62 CO -0.00 0.14 0.82 -1.91 -1.16 0.00 0.00 179.01 176.90 2dhj n GLU 63 N -4.50 0.00 -1.74 2.33 2.13 0.11 -4.80 120.64 114.17 2dhj n GLU 63 Ca 0.01 0.00 -0.36 0.00 0.66 0.00 0.00 57.16 57.47 2dhj n GLU 63 Cb 0.14 -0.94 0.07 0.00 0.27 0.00 0.00 31.44 30.98 2dhj n GLU 63 CO 0.00 0.00 0.00 1.14 -0.41 0.00 0.00 177.13 177.86 2dhj s GLN 64 N 3.74 2.55 0.89 5.31 -2.07 -1.26 -4.62 119.66 124.20 2dhj s GLN 64 Ca 0.75 1.97 -0.11 0.00 -1.82 0.00 0.00 55.36 56.14 2dhj s GLN 64 Cb -0.94 -1.86 0.12 0.00 -1.09 0.00 0.00 33.01 29.25 2dhj s GLN 64 CO 0.41 -1.57 1.09 -1.25 -1.32 0.00 0.00 175.29 172.65 2dhj s PRO 65 N -3.47 1.32 -0.37 9.60 0.04 -1.26 -4.87 135.00 136.00 2dhj s PRO 65 Ca 0.80 0.84 -0.01 0.00 0.04 0.00 0.00 61.00 62.67 2dhj s PRO 65 Cb -0.35 -1.81 0.09 0.00 0.04 0.00 0.00 34.50 32.47 2dhj s PRO 65 CO 0.39 -2.20 0.12 0.42 0.04 0.00 0.00 177.00 175.77 2dhj s ILE 66 N -2.94 2.98 -0.39 0.56 1.01 -1.14 -4.83 121.20 116.46 2dhj s ILE 66 Ca 0.63 -1.97 -0.31 0.00 0.00 0.00 0.00 60.65 59.00 2dhj s ILE 66 Cb -0.18 -3.00 -0.09 0.00 0.01 0.00 0.00 42.46 39.20 2dhj s ILE 66 CO 0.57 -0.54 2.29 -1.54 0.00 0.00 0.00 174.94 175.72 2dhj n SER 67 N 4.52 2.37 0.20 3.58 3.41 -1.26 -3.42 113.62 123.02 2dhj n SER 67 Ca -0.03 0.14 0.10 0.00 -0.26 0.00 0.00 58.87 58.81 2dhj n SER 67 Cb 0.42 -1.39 0.18 0.00 -0.26 0.00 0.00 64.21 63.15 2dhj n SER 67 CO 0.00 0.00 0.00 -0.37 -0.16 0.00 0.00 175.04 174.51 2dhj h VAL 68 N 7.31 0.26 -0.47 -3.33 -1.51 -0.78 -3.41 116.25 114.32 2dhj h VAL 68 Ca -0.29 -1.31 -0.73 0.00 -1.23 0.00 0.00 66.70 63.14 2dhj h VAL 68 Cb 1.29 2.07 -0.01 0.00 -2.13 0.00 0.00 31.29 32.51 2dhj h VAL 68 CO 1.06 0.14 0.87 -3.20 -1.23 0.00 0.00 177.57 175.21 2dhj n ASN 69 N -3.15 0.88 -1.99 4.19 5.15 -1.25 0.46 115.26 119.55 2dhj n ASN 69 Ca 0.03 0.84 -0.10 0.00 -0.60 0.00 0.00 54.58 54.76 2dhj n ASN 69 Cb 0.57 -0.79 0.04 0.00 -0.53 0.00 0.00 39.78 39.07 2dhj n ASN 69 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2dhj n ALA 70 N 4.97 -0.73 -2.78 5.20 0.00 -1.26 -4.58 120.51 121.32 2dhj n ALA 70 Ca 0.37 0.09 -0.21 0.00 0.00 0.00 0.00 53.44 53.69 2dhj n ALA 70 Cb -0.04 -2.18 0.09 0.00 0.00 0.00 0.00 19.45 17.31 2dhj n ALA 70 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2dhj s LEU 72 N 0.00 0.09 0.00 0.00 1.43 0.35 -4.95 118.68 115.59 2dhj s LEU 72 Ca 0.58 -0.36 -0.07 0.00 -1.03 0.00 0.00 54.13 53.25 2dhj s LEU 72 Cb -0.04 0.11 -0.05 0.00 0.03 0.00 0.00 46.19 46.24 2dhj s LEU 72 CO 0.38 -0.33 0.26 -0.63 0.23 0.00 0.00 176.35 176.26 2dhj s ILE 73 N 2.24 5.31 -0.30 -0.59 1.01 -1.26 -0.80 121.20 126.81 2dhj s ILE 73 Ca 0.05 0.17 -0.11 0.00 0.00 0.00 0.00 60.65 60.76 2dhj s ILE 73 Cb -0.16 -3.56 0.15 0.00 0.01 0.00 0.00 42.46 38.90 2dhj s ILE 73 CO -0.10 0.38 0.75 -1.81 0.00 0.00 0.00 174.94 174.15 2dhj s ASP 74 N -1.67 -1.00 -0.94 3.58 1.01 0.11 -4.99 116.67 112.77 2dhj s ASP 74 Ca 0.27 1.26 -0.29 0.00 0.71 0.00 0.00 52.55 54.50 2dhj s ASP 74 Cb -0.13 2.09 -0.21 0.00 1.01 0.00 0.00 42.92 45.68 2dhj s ASP 74 CO 0.16 -0.19 2.64 -0.38 0.21 0.00 0.00 175.17 177.61 2dhj n ILE 75 N 5.32 -0.01 -0.98 0.77 5.41 -1.26 -0.66 119.36 127.94 2dhj n ILE 75 Ca -0.10 -0.11 -0.31 0.00 1.00 0.00 0.00 62.75 63.23 2dhj n ILE 75 Cb 0.50 -0.73 0.01 0.00 -0.71 0.00 0.00 39.64 38.71 2dhj n ILE 75 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 2dhj n SER 76 N 10.89 -2.80 -3.60 4.38 2.88 -0.66 -4.65 113.62 120.06 2dhj n SER 76 Ca 0.63 0.53 -0.38 0.00 -1.33 0.00 0.00 58.87 58.32 2dhj n SER 76 Cb 0.09 -0.67 -0.02 0.00 -0.75 0.00 0.00 64.21 62.87 2dhj n SER 76 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2dhj n TYR 77 N -1.14 -0.85 -1.44 0.66 4.11 -1.26 -4.76 117.16 112.48 2dhj n TYR 77 Ca 0.07 0.70 -0.26 0.00 -0.00 0.00 0.00 57.90 58.41 2dhj n TYR 77 Cb 0.36 -1.56 -0.08 0.00 -0.00 0.00 0.00 39.34 38.06 2dhj n TYR 77 CO 0.00 0.00 0.00 0.43 -0.00 0.00 0.00 176.86 177.29 2dhj n SER 78 N 1.74 6.47 0.00 9.48 7.64 -1.26 -4.02 113.62 133.67 2dhj n SER 78 Ca 0.13 -3.02 0.00 0.00 1.01 0.00 0.00 58.87 56.99 2dhj n SER 78 Cb 0.25 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.15 2dhj n SER 78 CO 0.00 0.00 0.00 1.21 -3.01 0.00 0.00 175.04 173.24 2dhj n GLU 79 N 1.43 0.00 -1.69 1.43 4.07 -1.26 -5.03 120.64 119.59 2dhj n GLU 79 Ca 0.50 0.00 -0.51 0.00 -0.06 0.00 0.00 57.16 57.09 2dhj n GLU 79 Cb 0.58 -0.65 -0.05 0.00 -0.06 0.00 0.00 31.44 31.26 2dhj n GLU 79 CO 0.00 0.00 0.00 -2.37 -0.06 0.00 0.00 177.13 174.70 2dhj n THR 80 N -2.61 0.44 -0.34 6.31 5.66 -1.26 -4.79 114.28 117.70 2dhj n THR 80 Ca 0.00 -0.08 0.32 0.00 -3.05 0.00 0.00 64.05 61.24 2dhj n THR 80 Cb 0.40 -1.64 0.57 0.00 -1.55 0.00 0.00 70.33 68.11 2dhj n THR 80 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2dhj n LYS 81 N 5.92 -0.05 -1.72 1.09 4.01 -1.26 -4.39 118.16 121.77 2dhj n LYS 81 Ca 0.23 1.25 -0.43 0.00 -0.51 0.00 0.00 58.31 58.85 2dhj n LYS 81 Cb 0.25 -2.29 -0.02 0.00 -0.51 0.00 0.00 35.03 32.45 2dhj n LYS 81 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 2dhj n ARG 82 N -4.95 2.54 -3.04 1.97 3.00 -1.26 -5.00 116.66 109.93 2dhj n ARG 82 Ca 0.36 0.91 -0.18 0.00 -0.01 0.00 0.00 57.85 58.93 2dhj n ARG 82 Cb 1.27 -2.68 0.02 0.00 0.00 0.00 0.00 32.46 31.07 2dhj n ARG 82 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.63 177.78 2dhj s LYS 83 N -0.05 2.70 -1.44 5.56 3.01 -1.26 -4.58 119.74 123.69 2dhj s LYS 83 Ca 0.68 -1.34 -0.01 0.00 -1.01 0.00 0.00 55.97 54.29 2dhj s LYS 83 Cb -0.54 -2.72 0.00 0.00 -1.01 0.00 0.00 37.83 33.56 2dhj s LYS 83 CO 0.45 -0.40 0.31 0.27 0.51 0.00 0.00 175.35 176.49 2dhj n ASN 84 N -1.93 -0.07 -4.34 2.83 0.23 -1.26 -4.61 115.26 106.11 2dhj n ASN 84 Ca 0.10 -1.08 -0.35 0.00 -0.53 0.00 0.00 54.58 52.71 2dhj n ASN 84 Cb 0.60 -2.66 -0.14 0.00 -2.08 0.00 0.00 39.78 35.50 2dhj n ASN 84 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 2dhj s VAL 85 N -4.06 3.47 -0.12 3.53 1.01 -1.26 -2.13 120.40 120.84 2dhj s VAL 85 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 61.98 61.54 2dhj s VAL 85 Cb -0.01 -2.57 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 2dhj s VAL 85 CO 0.92 0.43 -0.17 0.72 0.00 0.00 0.00 175.10 177.00 2dhj s PHE 86 N 1.28 2.72 -0.19 5.22 -0.71 -0.44 -1.65 117.98 124.22 2dhj s PHE 86 Ca 0.03 -0.74 -0.19 0.00 -1.04 0.00 0.00 56.93 54.99 2dhj s PHE 86 Cb -0.14 -1.79 -0.03 0.00 -1.21 0.00 0.00 43.02 39.84 2dhj s PHE 86 CO -0.01 -0.25 0.55 0.50 -1.34 0.00 0.00 175.22 174.67 2dhj s ARG 87 N 0.29 4.22 -0.08 1.99 3.52 0.16 -2.12 118.95 126.93 2dhj s ARG 87 Ca -0.12 0.49 0.04 0.00 -0.13 0.00 0.00 55.73 56.02 2dhj s ARG 87 Cb -0.16 -3.55 -0.01 0.00 -1.56 0.00 0.00 34.95 29.67 2dhj s ARG 87 CO 0.06 -0.14 -0.22 -1.17 -0.81 0.00 0.00 175.30 173.03 2dhj s LEU 88 N 1.58 2.22 -0.16 -0.88 0.20 -0.96 0.08 118.68 120.77 2dhj s LEU 88 Ca 0.26 -0.47 0.01 0.00 0.69 0.00 0.00 54.13 54.62 2dhj s LEU 88 Cb -0.16 -1.43 0.01 0.00 -0.43 0.00 0.00 46.19 44.18 2dhj s LEU 88 CO 0.10 0.22 -0.19 -0.89 -0.29 0.00 0.00 176.35 175.30 2dhj s THR 89 N 0.00 2.29 -0.07 3.68 2.01 0.02 -1.73 115.64 121.84 2dhj s THR 89 Ca -0.08 -0.89 -0.01 0.00 0.31 0.00 0.00 61.69 61.02 2dhj s THR 89 Cb -0.15 -1.95 -0.03 0.00 0.01 0.00 0.00 72.50 70.38 2dhj s THR 89 CO 0.05 0.53 -0.02 0.42 -0.69 0.00 0.00 174.62 174.92 2dhj s THR 90 N 0.95 4.14 0.61 -0.82 -4.23 0.82 -0.50 115.64 116.61 2dhj s THR 90 Ca -0.03 -0.34 0.27 0.00 -1.18 0.00 0.00 61.69 60.40 2dhj s THR 90 Cb -0.15 -2.74 0.39 0.00 1.34 0.00 0.00 72.50 71.35 2dhj s THR 90 CO -0.04 0.58 1.31 -1.28 -0.54 0.00 0.00 174.62 174.66 2dhj h SER 91 N 5.09 0.00 0.00 3.99 0.87 -1.79 0.11 113.55 121.82 2dhj h SER 91 Ca -0.50 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2dhj h SER 91 Cb 1.19 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.15 2dhj h SER 91 CO 0.54 0.00 -0.10 -0.78 -0.53 0.00 0.00 176.83 175.96 2dhj h ASP 92 N 0.00 0.00 -5.41 6.23 1.82 -1.93 -3.50 116.42 113.63 2dhj h ASP 92 Ca 0.49 0.00 -0.20 0.00 -0.39 0.00 0.00 57.03 56.93 2dhj h ASP 92 Cb 2.92 0.00 -0.07 0.00 0.68 0.00 0.00 39.33 42.85 2dhj h ASP 92 CO -0.01 0.47 -0.13 0.00 -1.61 0.00 0.00 179.24 177.96 2dhj s GLU 94 N -3.18 2.40 0.36 0.00 2.12 -1.26 -0.12 118.70 119.01 2dhj s GLU 94 Ca 0.27 -0.81 -0.06 0.00 0.36 0.00 0.00 54.97 54.73 2dhj s GLU 94 Cb -0.01 -2.40 0.02 0.00 0.26 0.00 0.00 34.13 32.00 2dhj s GLU 94 CO 0.17 0.58 0.57 0.00 -0.54 0.00 0.00 175.26 176.04 2dhj s LEU 96 N -3.20 2.50 -0.05 0.00 1.43 0.11 -2.27 118.68 117.21 2dhj s LEU 96 Ca 0.26 -1.23 -0.17 0.00 -1.03 0.00 0.00 54.13 51.97 2dhj s LEU 96 Cb -0.02 -0.67 0.03 0.00 0.03 0.00 0.00 46.19 45.56 2dhj s LEU 96 CO 0.18 -0.37 0.37 -0.36 0.23 0.00 0.00 176.35 176.41 2dhj s PHE 97 N -2.98 -0.29 0.03 0.29 0.08 -0.90 -2.53 117.98 111.68 2dhj s PHE 97 Ca 0.31 0.54 0.03 0.00 0.12 0.00 0.00 56.93 57.93 2dhj s PHE 97 Cb 0.05 0.15 -0.02 0.00 -0.57 0.00 0.00 43.02 42.62 2dhj s PHE 97 CO 0.13 -0.38 -0.09 -1.14 -0.10 0.00 0.00 175.22 173.65 2dhj s GLN 98 N -0.99 0.61 0.45 0.44 0.74 -1.11 -1.32 119.66 118.48 2dhj s GLN 98 Ca -0.10 -0.60 0.06 0.00 0.05 0.00 0.00 55.36 54.76 2dhj s GLN 98 Cb -0.04 -0.51 -0.03 0.00 1.10 0.00 0.00 33.01 33.53 2dhj s GLN 98 CO 0.04 0.12 0.21 0.00 -0.55 0.00 0.00 175.29 175.10 2dhj s ALA 99 N -0.89 3.82 0.01 1.58 0.00 -0.91 -2.72 121.76 122.66 2dhj s ALA 99 Ca -0.03 -1.73 -0.19 0.00 0.00 0.00 0.00 51.96 50.01 2dhj s ALA 99 Cb -0.07 -0.41 -0.27 0.00 0.00 0.00 0.00 23.12 22.37 2dhj s ALA 99 CO 0.00 -0.21 1.06 0.93 0.00 0.00 0.00 175.76 177.55 2dhj h GLU 100 N 1.28 0.47 -3.83 0.00 4.39 -1.90 -3.46 114.58 111.52 2dhj h GLU 100 Ca -0.42 -0.58 -0.14 0.00 0.34 0.00 0.00 59.36 58.56 2dhj h GLU 100 Cb 1.27 0.18 -0.19 0.00 -0.10 0.00 0.00 28.75 29.91 2dhj h GLU 100 CO 0.68 1.22 -0.59 -0.51 -1.16 0.00 0.00 179.01 178.65 2dhj s ASP 101 N -7.01 0.19 0.12 1.42 1.01 -1.26 -5.05 116.67 106.09 2dhj s ASP 101 Ca -0.12 -0.49 -0.23 0.00 0.71 0.00 0.00 52.55 52.42 2dhj s ASP 101 Cb 0.04 0.18 -0.05 0.00 1.01 0.00 0.00 42.92 44.09 2dhj s ASP 101 CO 0.86 -0.42 1.36 -1.14 0.21 0.00 0.00 175.17 176.04 2dhj n ARG 102 N 1.14 -0.32 -0.37 8.23 0.63 -1.26 -0.43 116.66 124.29 2dhj n ARG 102 Ca -0.21 1.33 -0.02 0.00 -0.92 0.00 0.00 57.85 58.04 2dhj n ARG 102 Cb 0.57 -1.97 0.04 0.00 0.45 0.00 0.00 32.46 31.54 2dhj n ARG 102 CO 0.00 0.00 0.00 -0.44 -2.51 0.00 0.00 177.63 174.68 2dhj h ASP 103 N 0.00 -1.42 -0.77 6.15 5.19 -2.00 0.58 116.42 124.15 2dhj h ASP 103 Ca 0.12 0.30 0.02 0.00 -0.62 0.00 0.00 57.03 56.85 2dhj h ASP 103 Cb 0.30 0.75 -0.04 0.00 0.18 0.00 0.00 39.33 40.51 2dhj h ASP 103 CO -0.69 -0.29 0.50 0.44 -3.12 0.00 0.00 179.24 176.08 2dhj h ASP 104 N -0.02 0.84 0.15 6.45 3.32 -1.16 -1.53 116.42 124.48 2dhj h ASP 104 Ca 0.33 -0.01 0.02 0.00 0.02 0.00 0.00 57.03 57.39 2dhj h ASP 104 Cb 0.59 -0.20 -0.04 0.00 0.22 0.00 0.00 39.33 39.91 2dhj h ASP 104 CO -0.96 0.59 -0.31 -0.03 -1.72 0.00 0.00 179.24 176.81 2dhj h MET 105 N 0.99 -0.53 -0.18 3.56 4.05 0.24 -2.48 114.93 120.59 2dhj h MET 105 Ca 0.30 0.04 0.03 0.00 -0.28 0.00 0.00 59.70 59.78 2dhj h MET 105 Cb -0.04 0.12 -0.03 0.00 -0.80 0.00 0.00 31.60 30.85 2dhj h MET 105 CO -0.09 -0.35 0.00 -0.07 0.23 0.00 0.00 176.91 176.63 2dhj h LEU 106 N -0.55 -0.06 -0.96 3.39 4.07 -0.90 -2.12 115.31 118.18 2dhj h LEU 106 Ca 0.02 0.04 0.30 0.00 0.08 0.00 0.00 57.88 58.32 2dhj h LEU 106 Cb 0.56 0.06 -0.15 0.00 1.08 0.00 0.00 40.66 42.22 2dhj h LEU 106 CO -0.16 -0.00 0.41 0.00 -1.08 0.00 0.00 178.44 177.60 2dhj h ALA 107 N 1.15 1.68 0.50 1.53 0.00 -0.98 -0.18 119.26 122.95 2dhj h ALA 107 Ca 0.08 0.22 -0.02 0.00 0.00 0.00 0.00 54.91 55.19 2dhj h ALA 107 Cb 0.10 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.15 2dhj h ALA 107 CO -0.13 -0.57 -0.24 -1.49 0.00 0.00 0.00 179.25 176.81 2dhj h TRP 108 N 0.23 -0.63 -0.78 0.00 4.06 -0.95 -2.28 115.95 115.61 2dhj h TRP 108 Ca 0.67 -0.01 0.17 0.00 2.06 0.00 0.00 58.89 61.78 2dhj h TRP 108 Cb 1.49 0.21 -0.14 0.00 -1.00 0.00 0.00 29.16 29.72 2dhj h TRP 108 CO -0.14 -0.32 -0.09 0.82 -3.56 0.00 0.00 178.44 175.15 2dhj h ILE 109 N -1.08 0.26 0.22 1.49 2.04 -0.78 0.11 117.51 119.78 2dhj h ILE 109 Ca -0.07 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.77 2dhj h ILE 109 Cb 0.59 0.22 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 2dhj h ILE 109 CO 0.11 0.01 -0.11 0.50 0.00 0.00 0.00 178.15 178.66 2dhj h LYS 110 N 0.04 -0.30 -0.75 2.37 3.64 -1.12 0.11 116.57 120.56 2dhj h LYS 110 Ca 0.40 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.87 2dhj h LYS 110 Cb 0.68 0.07 -0.10 0.00 -0.41 0.00 0.00 32.23 32.47 2dhj h LYS 110 CO -0.75 -0.20 -0.51 1.15 -2.27 0.00 0.00 179.45 176.88 2dhj h THR 111 N -0.31 0.00 0.16 1.00 2.02 -0.95 0.17 112.91 115.01 2dhj h THR 111 Ca -0.03 0.00 -0.00 0.00 0.77 0.00 0.00 66.41 67.15 2dhj h THR 111 Cb 0.24 0.00 -0.02 0.00 -1.74 0.00 0.00 68.15 66.63 2dhj h THR 111 CO 0.05 0.00 -0.27 0.40 0.37 0.00 0.00 175.52 176.07 2dhj h ILE 112 N -0.09 0.00 -0.99 3.11 2.04 -1.03 0.23 117.51 120.78 2dhj h ILE 112 Ca 0.12 0.00 0.38 0.00 1.00 0.00 0.00 64.86 66.36 2dhj h ILE 112 Cb 0.40 0.00 -0.17 0.00 -0.74 0.00 0.00 36.82 36.30 2dhj h ILE 112 CO -0.75 0.00 0.47 1.56 0.00 0.00 0.00 178.15 179.43 2dhj h GLN 113 N -0.46 0.07 -0.10 2.37 4.20 -0.21 0.58 115.11 121.55 2dhj h GLN 113 Ca -0.02 -0.00 -0.05 0.00 0.06 0.00 0.00 58.65 58.63 2dhj h GLN 113 Cb 0.43 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.19 2dhj h GLN 113 CO -0.09 0.04 -0.15 0.93 -0.67 0.00 0.00 178.83 178.89 2dhj h GLU 114 N 0.07 0.28 -0.75 1.46 4.39 0.09 -3.22 114.58 116.90 2dhj h GLU 114 Ca 0.79 -0.17 0.04 0.00 0.34 0.00 0.00 59.36 60.36 2dhj h GLU 114 Cb 1.97 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 30.59 2dhj h GLU 114 CO -0.76 0.74 0.46 0.77 -1.16 0.00 0.00 179.01 179.06 2dhj h SER 115 N -0.16 0.74 -0.72 1.42 0.02 0.34 -2.18 113.55 112.99 2dhj h SER 115 Ca 0.01 0.01 -0.41 0.00 -0.84 0.00 0.00 61.79 60.56 2dhj h SER 115 Cb 0.72 -0.15 -0.16 0.00 0.14 0.00 0.00 62.40 62.95 2dhj h SER 115 CO 0.04 0.49 0.42 -0.24 -1.14 0.00 0.00 176.83 176.40 2dhj n SER 116 N -4.67 6.52 -3.80 3.07 2.88 0.53 -4.81 113.62 113.35 2dhj n SER 116 Ca 0.09 -3.15 -0.26 0.00 -1.33 0.00 0.00 58.87 54.22 2dhj n SER 116 Cb 0.12 -1.12 -0.17 0.00 -0.75 0.00 0.00 64.21 62.29 2dhj n SER 116 CO 0.00 0.00 0.00 0.21 -1.23 0.00 0.00 175.04 174.02 2dhj s ASN 117 N 0.16 2.33 -0.14 -3.46 3.84 -0.82 -4.16 114.94 112.69 2dhj s ASN 117 Ca 0.44 -0.46 -0.39 0.00 0.21 0.00 0.00 52.86 52.65 2dhj s ASN 117 Cb 0.31 -0.64 -0.17 0.00 -0.55 0.00 0.00 41.25 40.21 2dhj s ASN 117 CO -0.09 -0.22 1.54 0.18 -2.79 0.00 0.00 177.10 175.73 2dhj n LEU 118 N 5.04 1.88 -4.25 3.21 4.77 -1.26 -4.89 117.00 121.49 2dhj n LEU 118 Ca -0.09 1.10 -0.42 0.00 -0.03 0.00 0.00 56.01 56.57 2dhj n LEU 118 Cb 0.49 -1.13 -0.03 0.00 -2.33 0.00 0.00 43.42 40.42 2dhj n LEU 118 CO 0.13 -0.78 0.48 0.21 -1.33 0.00 0.00 177.39 176.10 2dhj s ASN 119 N 2.14 6.58 0.26 -1.43 3.84 -1.26 -4.92 114.94 120.15 2dhj s ASN 119 Ca 0.93 -3.26 -0.03 0.00 0.21 0.00 0.00 52.86 50.71 2dhj s ASN 119 Cb -1.07 -2.10 0.52 0.00 -0.55 0.00 0.00 41.25 38.05 2dhj s ASN 119 CO 0.59 -0.36 1.38 -1.54 -2.79 0.00 0.00 177.10 174.38 2dhj n SER 120 N 3.09 -0.23 -3.59 -4.21 3.41 -1.26 -4.61 113.62 106.23 2dhj n SER 120 Ca 0.18 1.51 -0.13 0.00 -0.26 0.00 0.00 58.87 60.17 2dhj n SER 120 Cb 0.41 -0.49 -0.06 0.00 -0.26 0.00 0.00 64.21 63.80 2dhj n SER 120 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 2dhj s GLY 121 N -4.24 -0.37 -0.61 5.00 0.00 -1.26 -5.11 107.32 100.73 2dhj s GLY 121 Ca -0.12 2.00 -0.27 0.00 0.00 0.00 0.00 44.72 46.33 2dhj s GLY 121 CO 0.69 1.33 1.86 2.56 0.00 0.00 0.00 173.10 179.54 2dhj s PRO 122 N -0.55 2.63 0.07 2.90 0.04 -1.26 -4.87 135.00 133.97 2dhj s PRO 122 Ca -0.03 0.62 -0.25 0.00 0.04 0.00 0.00 61.00 61.39 2dhj s PRO 122 Cb -0.02 -4.39 -0.16 0.00 0.04 0.00 0.00 34.50 29.97 2dhj s PRO 122 CO 0.02 -2.73 1.64 0.77 0.04 0.00 0.00 177.00 176.75 2dhj h SER 123 N 14.95 -0.10 -3.55 6.66 0.02 -1.99 -3.42 113.55 126.12 2dhj h SER 123 Ca -0.26 -0.07 -0.53 0.00 -0.84 0.00 0.00 61.79 60.09 2dhj h SER 123 Cb 1.16 0.03 -0.33 0.00 0.14 0.00 0.00 62.40 63.40 2dhj h SER 123 CO 1.22 0.00 -0.82 -0.94 -1.14 0.00 0.00 176.83 175.14 2dhj s SER 124 N -5.16 1.91 0.00 3.07 1.04 -1.26 -5.32 113.70 107.98 2dhj s SER 124 Ca -0.14 -0.32 0.15 0.00 0.48 0.00 0.00 55.95 56.12 2dhj s SER 124 Cb 0.05 -0.78 0.12 0.00 0.10 0.00 0.00 66.02 65.51 2dhj s SER 124 CO 0.65 0.07 0.97 0.61 0.98 0.00 0.00 173.24 176.53