#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2dpd n SER 7 N 0.00 0.00 -1.37 6.15 3.41 -1.26 -4.91 113.62 115.64 2dpd n SER 7 Ca 0.00 -0.91 0.00 0.00 -0.26 0.00 0.00 58.87 57.70 2dpd n SER 7 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2dpd n SER 7 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 2dpd n SER 8 N -2.25 2.71 0.00 4.04 3.41 -1.26 -4.79 113.62 115.49 2dpd n SER 8 Ca 0.00 -1.61 0.00 0.00 -0.26 0.00 0.00 58.87 57.00 2dpd n SER 8 Cb 0.00 -0.53 0.00 0.00 -0.26 0.00 0.00 64.21 63.42 2dpd n SER 8 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 2dpd n THR 9 N 1.22 0.00 -2.05 6.66 -2.24 -1.26 -3.46 114.28 113.15 2dpd n THR 9 Ca 0.00 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.66 2dpd n THR 9 Cb 0.32 -0.42 -0.02 0.00 -2.10 0.00 0.00 70.33 68.11 2dpd n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2dpd n GLY 10 N -0.73 0.16 0.00 3.38 0.00 -1.26 -5.01 105.19 101.73 2dpd n GLY 10 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2dpd n GLY 10 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 2dpd n PHE 11 N -3.73 0.00 -2.10 1.61 7.35 -1.23 -5.05 117.46 114.31 2dpd n PHE 11 Ca -0.14 0.00 -0.30 0.00 -0.76 0.00 0.00 57.45 56.25 2dpd n PHE 11 Cb 0.57 0.00 0.02 0.00 0.35 0.00 0.00 39.48 40.42 2dpd n PHE 11 CO 0.00 0.00 0.00 -0.51 -0.76 0.00 0.00 176.76 175.49 2dpd s LEU 12 N 0.00 3.26 0.33 -2.13 1.43 -1.26 -4.87 118.68 115.44 2dpd s LEU 12 Ca 0.00 1.18 -0.29 0.00 -1.03 0.00 0.00 54.13 53.99 2dpd s LEU 12 Cb 0.00 -4.14 -0.12 0.00 0.03 0.00 0.00 46.19 41.97 2dpd s LEU 12 CO 0.00 -0.91 1.50 0.55 0.23 0.00 0.00 176.35 177.72 2dpd n VAL 13 N -2.67 1.56 -1.68 -1.59 3.14 -1.26 -4.96 118.33 110.87 2dpd n VAL 13 Ca 0.05 -0.39 -0.32 0.00 -2.96 0.00 0.00 64.34 60.72 2dpd n VAL 13 Cb 0.55 -1.89 0.04 0.00 -1.06 0.00 0.00 33.84 31.49 2dpd n VAL 13 CO 0.00 0.00 0.00 -0.54 -6.46 0.00 0.00 176.83 169.83 2dpd s LYS 14 N -1.36 2.93 0.12 1.45 -0.14 -1.26 -4.92 119.74 116.55 2dpd s LYS 14 Ca 0.58 1.10 -0.20 0.00 -1.36 0.00 0.00 55.97 56.10 2dpd s LYS 14 Cb -0.51 -1.98 -0.07 0.00 -1.68 0.00 0.00 37.83 33.59 2dpd s LYS 14 CO 0.57 -1.11 1.77 0.37 -0.76 0.00 0.00 175.35 176.19 2dpd h GLN 15 N -0.38 0.23 0.00 1.68 4.15 -1.99 -2.29 115.11 116.52 2dpd h GLN 15 Ca -0.45 -0.01 -0.02 0.00 0.77 0.00 0.00 58.65 58.94 2dpd h GLN 15 Cb 1.22 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2dpd h GLN 15 CO 0.56 0.15 -0.09 0.07 -1.93 0.00 0.00 178.83 177.59 2dpd h ARG 16 N 0.24 0.00 -0.09 1.69 -0.00 -1.95 0.37 114.38 114.64 2dpd h ARG 16 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 59.98 60.01 2dpd h ARG 16 Cb -0.02 0.00 -0.00 0.00 -0.00 0.00 0.00 29.97 29.95 2dpd h ARG 16 CO -0.02 0.09 -0.08 0.00 -0.00 0.00 0.00 179.97 179.96 2dpd h ALA 17 N 1.91 0.13 -0.51 0.08 0.00 -1.90 0.47 119.26 119.45 2dpd h ALA 17 Ca -0.00 -0.29 0.10 0.00 0.00 0.00 0.00 54.91 54.73 2dpd h ALA 17 Cb 0.16 -0.03 -0.10 0.00 0.00 0.00 0.00 17.79 17.83 2dpd h ALA 17 CO 0.01 -0.05 -0.16 0.35 0.00 0.00 0.00 179.25 179.40 2dpd h PHE 18 N -0.19 -0.38 0.10 0.00 3.04 -0.54 0.72 116.94 119.68 2dpd h PHE 18 Ca 0.02 0.05 -0.00 0.00 3.98 0.00 0.00 57.97 62.01 2dpd h PHE 18 Cb 0.59 0.25 0.00 0.00 2.56 0.00 0.00 35.95 39.34 2dpd h PHE 18 CO 0.08 -0.26 -0.05 -0.07 -2.02 0.00 0.00 178.31 176.00 2dpd h LEU 19 N -0.05 -0.11 -0.71 0.59 3.38 -0.80 -2.91 115.31 114.70 2dpd h LEU 19 Ca 0.24 -0.16 0.15 0.00 0.09 0.00 0.00 57.88 58.20 2dpd h LEU 19 Cb 0.42 0.03 -0.10 0.00 0.09 0.00 0.00 40.66 41.09 2dpd h LEU 19 CO -0.55 0.10 0.19 0.11 0.09 0.00 0.00 178.44 178.38 2dpd h LYS 20 N -0.32 0.29 -0.18 1.13 1.57 1.00 0.24 116.57 120.29 2dpd h LYS 20 Ca -0.01 -0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.77 2dpd h LYS 20 Cb 0.27 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2dpd h LYS 20 CO 0.02 0.19 -0.23 1.25 -0.57 0.00 0.00 179.45 180.12 2dpd h LEU 21 N 0.30 -0.76 -0.92 2.94 5.85 -0.88 -0.88 115.31 120.96 2dpd h LEU 21 Ca 0.40 0.10 0.23 0.00 0.84 0.00 0.00 57.88 59.44 2dpd h LEU 21 Cb 0.65 0.31 -0.12 0.00 0.37 0.00 0.00 40.66 41.87 2dpd h LEU 21 CO -0.47 -0.16 0.45 1.88 -0.34 0.00 0.00 178.44 179.80 2dpd h TYR 22 N -0.15 0.75 -0.39 1.25 -1.99 -0.41 -0.67 116.97 115.36 2dpd h TYR 22 Ca 0.03 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.82 2dpd h TYR 22 Cb 0.23 -0.19 -0.03 0.00 2.00 0.00 0.00 36.73 38.75 2dpd h TYR 22 CO -0.68 -0.02 0.23 0.52 -0.00 0.00 0.00 178.16 178.22 2dpd h MET 23 N 0.45 0.45 -0.12 4.88 2.86 -0.37 -1.37 114.93 121.71 2dpd h MET 23 Ca 0.58 -0.03 0.02 0.00 -2.06 0.00 0.00 59.70 58.21 2dpd h MET 23 Cb 1.10 -0.10 -0.02 0.00 0.06 0.00 0.00 31.60 32.64 2dpd h MET 23 CO -0.51 0.30 0.00 0.82 1.06 0.00 0.00 176.91 178.58 2dpd h ILE 24 N 0.46 0.92 -0.44 -1.22 2.04 0.24 0.12 117.51 119.63 2dpd h ILE 24 Ca 0.16 -0.02 -0.04 0.00 1.00 0.00 0.00 64.86 65.96 2dpd h ILE 24 Cb 0.02 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 36.95 2dpd h ILE 24 CO -0.08 0.01 0.12 0.74 0.00 0.00 0.00 178.15 178.94 2dpd h THR 25 N 0.04 1.23 -0.25 -0.27 2.02 -1.24 -2.45 112.91 111.99 2dpd h THR 25 Ca 0.05 -0.77 -0.08 0.00 0.77 0.00 0.00 66.41 66.38 2dpd h THR 25 Cb 0.06 0.90 -0.01 0.00 -1.74 0.00 0.00 68.15 67.36 2dpd h THR 25 CO -0.09 0.27 -0.17 0.24 0.37 0.00 0.00 175.52 176.14 2dpd h MET 26 N 0.57 0.44 -1.00 6.66 2.86 -0.90 -1.11 114.93 122.45 2dpd h MET 26 Ca 0.14 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.69 2dpd h MET 26 Cb 0.29 -0.04 -0.06 0.00 0.06 0.00 0.00 31.60 31.85 2dpd h MET 26 CO -0.00 0.60 0.65 1.15 1.06 0.00 0.00 176.91 180.38 2dpd h THR 27 N 0.41 1.14 -0.99 2.22 2.02 -0.64 0.27 112.91 117.34 2dpd h THR 27 Ca 0.07 -0.42 0.21 0.00 0.77 0.00 0.00 66.41 67.04 2dpd h THR 27 Cb 0.54 -0.20 -0.10 0.00 -1.74 0.00 0.00 68.15 66.65 2dpd h THR 27 CO 0.03 0.22 0.62 -0.33 0.37 0.00 0.00 175.52 176.44 2dpd h GLU 28 N 1.23 0.58 0.00 6.66 5.08 -0.71 -3.31 114.58 124.11 2dpd h GLU 28 Ca 0.41 -0.04 -0.31 0.00 -1.00 0.00 0.00 59.36 58.42 2dpd h GLU 28 Cb 0.07 -0.13 -0.06 0.00 0.50 0.00 0.00 28.75 29.13 2dpd h GLU 28 CO -0.14 0.39 -2.19 1.04 -1.00 0.00 0.00 179.01 177.10 2dpd n GLN 29 N -4.69 0.83 -4.27 2.33 6.02 -0.20 -5.05 117.38 112.35 2dpd n GLN 29 Ca 0.23 0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 57.15 2dpd n GLN 29 Cb 0.67 -1.43 -0.10 0.00 1.02 0.00 0.00 30.24 30.40 2dpd n GLN 29 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.06 174.05 2dpd s GLU 30 N -2.42 1.28 -0.14 -1.09 2.56 0.80 -5.13 118.70 114.56 2dpd s GLU 30 Ca -0.21 -1.67 -0.17 0.00 0.00 0.00 0.00 54.97 52.92 2dpd s GLU 30 Cb 0.06 -0.11 -0.04 0.00 2.00 0.00 0.00 34.13 36.04 2dpd s GLU 30 CO 0.57 -0.28 0.44 0.50 -0.56 0.00 0.00 175.26 175.92 2dpd s ARG 31 N -4.04 4.31 0.15 4.30 3.52 -1.26 -4.16 118.95 121.77 2dpd s ARG 31 Ca 0.35 0.36 0.07 0.00 -0.13 0.00 0.00 55.73 56.37 2dpd s ARG 31 Cb 0.07 -3.45 -0.04 0.00 -1.56 0.00 0.00 34.95 29.97 2dpd s ARG 31 CO 0.11 0.14 -0.14 -0.51 -0.81 0.00 0.00 175.30 174.09 2dpd s LEU 32 N 0.69 2.47 0.33 -0.88 1.43 -1.26 -5.01 118.68 116.45 2dpd s LEU 32 Ca 0.24 -0.91 0.03 0.00 -1.03 0.00 0.00 54.13 52.46 2dpd s LEU 32 Cb -0.15 -0.59 -0.04 0.00 0.03 0.00 0.00 46.19 45.45 2dpd s LEU 32 CO 0.09 -0.17 0.14 -0.72 0.23 0.00 0.00 176.35 175.92 2dpd s TYR 33 N -2.54 1.68 0.06 0.29 -0.85 -1.26 -1.05 117.35 113.69 2dpd s TYR 33 Ca 0.15 -1.30 -0.24 0.00 -0.52 0.00 0.00 57.07 55.15 2dpd s TYR 33 Cb -0.03 -0.97 -0.11 0.00 0.38 0.00 0.00 41.96 41.23 2dpd s TYR 33 CO 0.04 -0.41 1.38 0.78 -1.52 0.00 0.00 175.55 175.82 2dpd h GLY 34 N 2.12 -1.13 1.66 5.49 0.00 -1.97 -1.60 103.07 107.63 2dpd h GLY 34 Ca -0.35 0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.53 2dpd h GLY 34 CO 0.55 -0.34 0.20 1.41 0.00 0.00 0.00 176.54 178.36 2dpd h LEU 35 N -0.62 0.40 0.57 3.11 -0.00 -1.97 -0.10 115.31 116.70 2dpd h LEU 35 Ca -0.03 -0.02 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 2dpd h LEU 35 Cb 0.56 -0.10 0.01 0.00 -0.00 0.00 0.00 40.66 41.13 2dpd h LEU 35 CO -0.11 0.32 -0.28 0.50 -0.00 0.00 0.00 178.44 178.87 2dpd h LYS 36 N 0.47 -0.74 -0.84 1.13 1.63 -1.91 -1.83 116.57 114.47 2dpd h LYS 36 Ca 0.12 0.05 0.18 0.00 -0.85 0.00 0.00 60.65 60.15 2dpd h LYS 36 Cb -0.00 0.17 -0.11 0.00 -0.60 0.00 0.00 32.23 31.68 2dpd h LYS 36 CO -0.02 -0.50 0.35 1.25 -3.45 0.00 0.00 179.45 177.09 2dpd h LEU 37 N -0.77 0.32 -0.31 5.20 5.85 -0.73 0.94 115.31 125.80 2dpd h LEU 37 Ca -0.08 0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.80 2dpd h LEU 37 Cb 0.59 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.71 2dpd h LEU 37 CO 0.13 0.06 0.15 0.25 -0.34 0.00 0.00 178.44 178.68 2dpd h LEU 38 N 0.44 0.21 -0.45 2.25 5.85 -1.01 -0.20 115.31 122.40 2dpd h LEU 38 Ca 0.49 0.02 -0.15 0.00 0.84 0.00 0.00 57.88 59.08 2dpd h LEU 38 Cb 0.84 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.84 2dpd h LEU 38 CO -0.47 0.16 -0.30 -0.33 -0.34 0.00 0.00 178.44 177.16 2dpd h GLU 39 N 0.31 0.97 -0.58 1.25 4.39 -0.02 0.35 114.58 121.25 2dpd h GLU 39 Ca 0.13 -0.46 0.04 0.00 0.34 0.00 0.00 59.36 59.41 2dpd h GLU 39 Cb 0.05 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 28.65 2dpd h GLU 39 CO -0.09 1.13 0.33 0.28 -1.16 0.00 0.00 179.01 179.49 2dpd h VAL 40 N 0.81 1.01 -0.23 3.13 2.07 -0.76 -1.30 116.25 120.98 2dpd h VAL 40 Ca 0.09 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.33 2dpd h VAL 40 Cb 0.89 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.97 2dpd h VAL 40 CO 0.08 0.12 -0.09 -0.07 0.02 0.00 0.00 177.57 177.63 2dpd h LEU 41 N 0.64 0.48 -0.42 2.57 3.38 -0.73 -0.25 115.31 120.98 2dpd h LEU 41 Ca 0.25 -0.39 0.08 0.00 0.09 0.00 0.00 57.88 57.90 2dpd h LEU 41 Cb 0.09 -0.13 -0.07 0.00 0.09 0.00 0.00 40.66 40.64 2dpd h LEU 41 CO -0.14 0.77 -0.00 0.03 0.09 0.00 0.00 178.44 179.18 2dpd h ARG 42 N 0.20 0.10 0.74 1.13 3.08 0.08 -0.76 114.38 118.95 2dpd h ARG 42 Ca 0.06 -0.01 -0.04 0.00 0.07 0.00 0.00 59.98 60.06 2dpd h ARG 42 Cb 0.57 -0.02 0.01 0.00 0.08 0.00 0.00 29.97 30.61 2dpd h ARG 42 CO 0.03 0.07 -0.36 1.03 -1.07 0.00 0.00 179.97 179.67 2dpd h SER 43 N 0.10 -0.84 -1.23 7.04 0.87 -1.26 -1.40 113.55 116.83 2dpd h SER 43 Ca 0.21 0.03 0.43 0.00 -1.23 0.00 0.00 61.79 61.23 2dpd h SER 43 Cb 0.30 0.22 -0.15 0.00 -0.44 0.00 0.00 62.40 62.34 2dpd h SER 43 CO -0.35 -0.58 0.76 -0.08 -0.53 0.00 0.00 176.83 176.04 2dpd h GLU 44 N -1.04 0.07 0.00 2.24 4.81 -0.38 -0.75 114.58 119.53 2dpd h GLU 44 Ca -0.10 -0.00 -0.25 0.00 -0.13 0.00 0.00 59.36 58.88 2dpd h GLU 44 Cb 0.76 -0.02 -0.05 0.00 0.63 0.00 0.00 28.75 30.08 2dpd h GLU 44 CO 0.17 0.04 -2.20 1.19 -0.73 0.00 0.00 179.01 177.48 2dpd n PHE 45 N -4.88 0.09 -0.09 0.92 3.72 -0.35 -4.72 117.46 112.15 2dpd n PHE 45 Ca 0.38 0.03 0.05 0.00 -0.05 0.00 0.00 57.45 57.86 2dpd n PHE 45 Cb 1.39 -0.87 0.10 0.00 -0.94 0.00 0.00 39.48 39.16 2dpd n PHE 45 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 176.76 177.88 2dpd n LYS 46 N -2.63 -0.02 0.05 -1.08 4.81 -0.29 0.19 118.16 119.20 2dpd n LYS 46 Ca -0.23 0.41 -0.02 0.00 -0.87 0.00 0.00 58.31 57.60 2dpd n LYS 46 Cb 0.97 -0.67 -0.01 0.00 0.02 0.00 0.00 35.03 35.34 2dpd n LYS 46 CO 0.00 0.00 0.00 1.49 1.17 0.00 0.00 177.40 180.06 2dpd h GLU 47 N 0.00 -0.13 -1.03 1.64 4.81 -1.84 -2.99 114.58 115.03 2dpd h GLU 47 Ca 0.18 0.01 0.41 0.00 -0.13 0.00 0.00 59.36 59.83 2dpd h GLU 47 Cb 0.42 0.03 -0.17 0.00 0.63 0.00 0.00 28.75 29.65 2dpd h GLU 47 CO -0.25 -0.08 0.58 0.82 -0.73 0.00 0.00 179.01 179.34 2dpd h ILE 48 N -0.14 0.06 0.00 2.32 5.03 -0.59 -3.44 117.51 120.74 2dpd h ILE 48 Ca -0.01 -0.02 0.00 0.00 -0.12 0.00 0.00 64.86 64.71 2dpd h ILE 48 Cb 0.10 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 33.88 2dpd h ILE 48 CO 0.02 0.01 0.00 0.61 -0.68 0.00 0.00 178.15 178.11 2dpd n GLY 49 N -1.29 1.40 3.59 5.37 0.00 -0.85 -5.10 105.19 108.32 2dpd n GLY 49 Ca 0.37 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.99 2dpd n GLY 49 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 2dpd s PHE 50 N -2.00 3.23 -0.50 1.61 5.36 -1.26 -4.97 117.98 119.45 2dpd s PHE 50 Ca 0.00 0.41 0.03 0.00 -0.96 0.00 0.00 56.93 56.41 2dpd s PHE 50 Cb 0.00 -2.78 0.13 0.00 -0.34 0.00 0.00 43.02 40.03 2dpd s PHE 50 CO 0.00 -0.38 0.26 -1.59 -1.46 0.00 0.00 175.22 172.05 2dpd s LYS 51 N 2.31 1.73 0.64 10.12 -2.85 -1.26 -4.27 119.74 126.16 2dpd s LYS 51 Ca 0.19 -2.42 -0.14 0.00 -1.00 0.00 0.00 55.97 52.60 2dpd s LYS 51 Cb -0.16 -2.95 -0.02 0.00 -2.06 0.00 0.00 37.83 32.65 2dpd s LYS 51 CO 0.11 -1.14 1.07 -1.25 0.10 0.00 0.00 175.35 174.24 2dpd s PRO 52 N -0.09 3.09 0.51 1.78 0.04 -1.26 -5.06 135.00 134.01 2dpd s PRO 52 Ca 0.18 1.18 0.07 0.00 0.04 0.00 0.00 61.00 62.46 2dpd s PRO 52 Cb -0.24 -2.00 0.05 0.00 0.04 0.00 0.00 34.50 32.34 2dpd s PRO 52 CO -0.01 -0.99 0.69 0.54 0.04 0.00 0.00 177.00 177.28 2dpd s ASN 53 N -3.01 5.35 0.08 6.66 2.20 -1.26 -4.93 114.94 120.03 2dpd s ASN 53 Ca 0.63 -0.51 -0.14 0.00 -0.94 0.00 0.00 52.86 51.90 2dpd s ASN 53 Cb -0.16 -0.32 -0.21 0.00 -2.00 0.00 0.00 41.25 38.55 2dpd s ASN 53 CO 0.43 -1.07 1.22 1.12 -2.94 0.00 0.00 177.10 175.85 2dpd h HIS 54 N 0.35 1.06 0.00 1.54 2.07 -1.99 -3.12 115.15 115.06 2dpd h HIS 54 Ca -0.37 -0.55 -0.07 0.00 -2.85 0.00 0.00 60.37 56.54 2dpd h HIS 54 Cb 1.28 -0.13 -0.01 0.00 2.57 0.00 0.00 27.41 31.12 2dpd h HIS 54 CO 0.37 1.39 -0.31 0.00 -3.07 0.00 0.00 177.93 176.30 2dpd h THR 55 N 0.43 0.98 -0.05 6.12 1.03 -1.98 -0.73 112.91 118.71 2dpd h THR 55 Ca -0.11 -1.17 -0.01 0.00 -0.01 0.00 0.00 66.41 65.11 2dpd h THR 55 Cb 1.64 1.68 -0.00 0.00 -1.07 0.00 0.00 68.15 70.39 2dpd h THR 55 CO 0.20 0.31 0.00 -0.08 -0.01 0.00 0.00 175.52 175.93 2dpd h GLU 56 N 0.00 0.09 -0.64 0.00 4.57 -1.97 -2.06 114.58 114.57 2dpd h GLU 56 Ca -0.00 -0.03 0.13 0.00 -1.18 0.00 0.00 59.36 58.28 2dpd h GLU 56 Cb 0.65 -0.01 -0.10 0.00 -0.16 0.00 0.00 28.75 29.14 2dpd h GLU 56 CO 0.04 0.36 0.12 0.28 -1.18 0.00 0.00 179.01 178.63 2dpd h VAL 57 N -0.19 0.58 0.00 0.32 2.07 -1.33 -1.78 116.25 115.91 2dpd h VAL 57 Ca 0.02 -0.08 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 2dpd h VAL 57 Cb 0.32 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.40 2dpd h VAL 57 CO 0.00 0.04 -0.35 1.88 0.02 0.00 0.00 177.57 179.16 2dpd h TYR 58 N 0.24 0.00 0.69 1.57 0.99 -1.05 -0.46 116.97 118.94 2dpd h TYR 58 Ca 0.34 0.00 -0.03 0.00 2.00 0.00 0.00 58.73 61.04 2dpd h TYR 58 Cb 0.54 0.00 0.01 0.00 1.00 0.00 0.00 36.73 38.28 2dpd h TYR 58 CO -0.27 0.35 -0.33 0.00 -0.00 0.00 0.00 178.16 177.91 2dpd h ARG 59 N 0.00 -0.89 -0.87 4.88 3.08 -0.68 -2.17 114.38 117.73 2dpd h ARG 59 Ca -0.00 0.06 0.18 0.00 0.07 0.00 0.00 59.98 60.29 2dpd h ARG 59 Cb 0.75 0.20 -0.16 0.00 0.08 0.00 0.00 29.97 30.84 2dpd h ARG 59 CO 0.05 -0.59 -0.17 0.77 -1.07 0.00 0.00 179.97 178.96 2dpd h SER 60 N -1.21 -0.72 -0.28 7.04 0.02 -1.17 0.42 113.55 117.64 2dpd h SER 60 Ca -0.09 0.26 0.01 0.00 -0.84 0.00 0.00 61.79 61.13 2dpd h SER 60 Cb 0.71 0.51 -0.02 0.00 0.14 0.00 0.00 62.40 63.74 2dpd h SER 60 CO 0.15 -0.28 0.16 -0.07 -1.14 0.00 0.00 176.83 175.65 2dpd h LEU 61 N 0.01 0.24 -1.11 5.07 4.07 -1.08 -2.62 115.31 119.90 2dpd h LEU 61 Ca 0.44 0.01 -0.06 0.00 0.08 0.00 0.00 57.88 58.34 2dpd h LEU 61 Cb 0.71 -0.04 -0.01 0.00 1.08 0.00 0.00 40.66 42.40 2dpd h LEU 61 CO -0.87 0.18 -0.30 0.45 -1.08 0.00 0.00 178.44 176.82 2dpd h HIS 62 N 0.32 0.00 0.93 1.13 3.86 -0.28 -1.47 115.15 119.64 2dpd h HIS 62 Ca 0.11 0.00 -0.05 0.00 -1.16 0.00 0.00 60.37 59.28 2dpd h HIS 62 Cb 0.01 0.00 0.01 0.00 1.06 0.00 0.00 27.41 28.49 2dpd h HIS 62 CO -0.08 0.30 -0.44 0.93 0.86 0.00 0.00 177.93 179.49 2dpd h GLU 63 N 0.00 -1.20 -0.94 2.45 5.08 -1.04 -0.20 114.58 118.74 2dpd h GLU 63 Ca -0.00 0.08 0.27 0.00 -1.00 0.00 0.00 59.36 58.71 2dpd h GLU 63 Cb 0.78 0.27 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 2dpd h GLU 63 CO 0.04 -0.80 0.86 -0.07 -1.00 0.00 0.00 179.01 178.04 2dpd h LEU 64 N -1.24 0.00 0.31 1.33 3.38 -1.06 1.17 115.31 119.20 2dpd h LEU 64 Ca -0.13 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.83 2dpd h LEU 64 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 2dpd h LEU 64 CO 0.21 0.00 -0.15 -0.07 0.09 0.00 0.00 178.44 178.52 2dpd h LEU 65 N 0.00 -0.35 -1.61 1.67 3.38 -0.93 -0.82 115.31 116.65 2dpd h LEU 65 Ca 0.44 -0.15 -0.04 0.00 0.09 0.00 0.00 57.88 58.22 2dpd h LEU 65 Cb 2.16 0.09 -0.01 0.00 0.09 0.00 0.00 40.66 43.00 2dpd h LEU 65 CO -0.00 0.12 -0.21 0.44 0.09 0.00 0.00 178.44 178.88 2dpd h ASP 66 N -1.00 0.00 0.23 -0.43 3.32 0.28 0.76 116.42 119.57 2dpd h ASP 66 Ca -0.04 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.01 2dpd h ASP 66 Cb 0.47 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.02 2dpd h ASP 66 CO 0.07 0.21 0.00 0.47 -1.72 0.00 0.00 179.24 178.27 2dpd n ASP 67 N -4.00 0.00 -0.85 6.45 8.00 0.30 -4.90 116.55 121.55 2dpd n ASP 67 Ca -0.02 -0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.01 2dpd n ASP 67 Cb 0.29 -0.15 -0.05 0.00 -0.02 0.00 0.00 41.12 41.19 2dpd n ASP 67 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2dpd n GLY 68 N 0.56 1.18 0.07 0.44 0.00 0.26 -4.88 105.19 102.82 2dpd n GLY 68 Ca 0.14 -0.27 -0.13 0.00 0.00 0.00 0.00 46.02 45.77 2dpd n GLY 68 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2dpd h ILE 69 N 0.00 1.41 -1.64 -0.61 5.03 -1.39 -3.20 117.51 117.12 2dpd h ILE 69 Ca -0.23 -1.53 -0.58 0.00 -0.12 0.00 0.00 64.86 62.40 2dpd h ILE 69 Cb 0.88 2.41 -0.10 0.00 -3.03 0.00 0.00 36.82 36.99 2dpd h ILE 69 CO 0.33 0.38 -0.53 -0.76 -0.68 0.00 0.00 178.15 176.89 2dpd s LEU 70 N -8.86 3.05 0.03 1.44 1.43 -0.45 0.94 118.68 116.26 2dpd s LEU 70 Ca -0.16 -1.15 0.00 0.00 -1.03 0.00 0.00 54.13 51.79 2dpd s LEU 70 Cb -0.00 -1.29 -0.03 0.00 0.03 0.00 0.00 46.19 44.90 2dpd s LEU 70 CO 0.64 -0.49 -0.04 -1.59 0.23 0.00 0.00 176.35 175.10 2dpd s LYS 71 N -3.84 0.44 0.43 1.70 -2.85 0.03 -4.44 119.74 111.21 2dpd s LYS 71 Ca 0.39 -0.83 -0.21 0.00 -1.00 0.00 0.00 55.97 54.31 2dpd s LYS 71 Cb 0.05 0.08 -0.11 0.00 -2.06 0.00 0.00 37.83 35.79 2dpd s LYS 71 CO 0.21 -0.05 0.96 -0.65 0.10 0.00 0.00 175.35 175.92 2dpd s GLN 72 N -2.28 4.21 -0.22 1.78 -0.21 -1.26 -1.18 119.66 120.49 2dpd s GLN 72 Ca -0.07 1.16 -0.02 0.00 0.02 0.00 0.00 55.36 56.45 2dpd s GLN 72 Cb -0.04 -2.22 0.07 0.00 1.00 0.00 0.00 33.01 31.82 2dpd s GLN 72 CO -0.04 -0.05 0.02 0.42 -2.12 0.00 0.00 175.29 173.53 2dpd s ILE 73 N -2.11 0.82 -0.91 1.08 -1.09 0.35 -4.83 121.20 114.51 2dpd s ILE 73 Ca 0.62 -0.85 -0.22 0.00 -2.23 0.00 0.00 60.65 57.96 2dpd s ILE 73 Cb -0.11 -1.32 0.08 0.00 -1.58 0.00 0.00 42.46 39.53 2dpd s ILE 73 CO 0.15 -0.26 1.27 -0.54 -1.23 0.00 0.00 174.94 174.33 2dpd s LYS 74 N 1.71 3.48 0.00 2.79 1.02 -1.26 -1.06 119.74 126.42 2dpd s LYS 74 Ca -0.01 -1.18 0.00 0.00 0.02 0.00 0.00 55.97 54.81 2dpd s LYS 74 Cb -0.18 -4.94 0.00 0.00 -0.52 0.00 0.00 37.83 32.20 2dpd s LYS 74 CO -0.10 -2.02 0.00 1.33 -0.92 0.00 0.00 175.35 173.64 2dpd n VAL 75 N 6.27 0.00 -3.37 3.17 0.24 -0.78 -4.98 118.33 118.88 2dpd n VAL 75 Ca 0.22 0.00 -0.26 0.00 -2.04 0.00 0.00 64.34 62.25 2dpd n VAL 75 Cb 0.49 -0.05 -0.09 0.00 -1.47 0.00 0.00 33.84 32.72 2dpd n VAL 75 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2dpd n LYS 76 N -0.04 0.37 -2.52 7.34 5.02 -1.26 -1.47 118.16 125.59 2dpd n LYS 76 Ca 0.00 -3.24 -0.43 0.00 -2.02 0.00 0.00 58.31 52.62 2dpd n LYS 76 Cb 0.00 -1.61 -0.02 0.00 -0.02 0.00 0.00 35.03 33.38 2dpd n LYS 76 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2dpd s LYS 77 N -0.26 4.25 0.00 1.97 2.20 -1.25 -4.80 119.74 121.85 2dpd s LYS 77 Ca 0.33 1.54 0.00 0.00 -0.36 0.00 0.00 55.97 57.48 2dpd s LYS 77 Cb 0.06 -3.71 0.00 0.00 -1.51 0.00 0.00 37.83 32.67 2dpd s LYS 77 CO -0.18 -0.67 0.00 0.39 -0.36 0.00 0.00 175.35 174.53 2dpd n GLU 78 N 6.46 0.00 0.00 4.03 1.02 -1.26 -4.69 120.64 126.20 2dpd n GLU 78 Ca 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.27 2dpd n GLU 78 Cb 0.45 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.87 2dpd n GLU 78 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2dpd n GLY 79 N 4.84 2.24 1.61 0.62 0.00 -1.26 -4.63 105.19 108.61 2dpd n GLY 79 Ca 0.00 -0.74 0.02 0.00 0.00 0.00 0.00 46.02 45.30 2dpd n GLY 79 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2dpd n ALA 80 N 0.00 2.83 -3.00 4.61 0.00 -1.26 -5.10 120.51 118.59 2dpd n ALA 80 Ca 0.00 -2.71 0.00 0.00 0.00 0.00 0.00 53.44 50.73 2dpd n ALA 80 Cb 0.00 -0.66 0.00 0.00 0.00 0.00 0.00 19.45 18.79 2dpd n ALA 80 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 2dpd n LYS 81 N -0.10 0.00 -3.20 0.00 0.00 -1.26 -5.14 118.16 108.46 2dpd n LYS 81 Ca 0.11 0.00 0.01 0.00 -0.00 0.00 0.00 58.31 58.43 2dpd n LYS 81 Cb 0.98 0.00 -0.01 0.00 -0.00 0.00 0.00 35.03 36.00 2dpd n LYS 81 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.40 176.23 2dpd s LEU 82 N 0.00 -1.48 -0.22 -5.58 2.96 -1.26 -4.85 118.68 108.25 2dpd s LEU 82 Ca 0.00 -0.41 -0.09 0.00 -0.22 0.00 0.00 54.13 53.42 2dpd s LEU 82 Cb 0.00 1.89 0.09 0.00 0.50 0.00 0.00 46.19 48.67 2dpd s LEU 82 CO 0.00 -0.24 0.48 -1.58 -1.32 0.00 0.00 176.35 173.70 2dpd s GLN 83 N 2.26 0.41 -0.05 1.98 0.74 -1.26 -5.13 119.66 118.62 2dpd s GLN 83 Ca 0.13 1.09 -0.30 0.00 0.05 0.00 0.00 55.36 56.33 2dpd s GLN 83 Cb -0.07 0.35 -0.05 0.00 1.10 0.00 0.00 33.01 34.34 2dpd s GLN 83 CO -0.16 -0.22 1.51 -1.21 -0.55 0.00 0.00 175.29 174.67 2dpd s GLU 84 N 2.37 4.22 0.06 1.67 2.02 -1.26 -3.87 118.70 123.91 2dpd s GLU 84 Ca -0.05 2.05 0.05 0.00 0.02 0.00 0.00 54.97 57.05 2dpd s GLU 84 Cb -0.11 -3.79 -0.03 0.00 0.10 0.00 0.00 34.13 30.30 2dpd s GLU 84 CO -0.14 -0.73 -0.15 0.14 0.02 0.00 0.00 175.26 174.39 2dpd s VAL 85 N 3.34 1.20 -0.69 2.63 -7.23 -0.54 -5.00 120.40 114.10 2dpd s VAL 85 Ca 0.67 -1.20 -0.08 0.00 -1.81 0.00 0.00 61.98 59.57 2dpd s VAL 85 Cb -0.31 -1.11 0.18 0.00 0.56 0.00 0.00 36.38 35.70 2dpd s VAL 85 CO 0.26 -0.09 0.57 -0.69 -0.31 0.00 0.00 175.10 174.84 2dpd s VAL 86 N -1.06 4.53 0.40 1.32 1.01 -1.26 -1.87 120.40 123.47 2dpd s VAL 86 Ca 0.01 -2.67 -0.25 0.00 0.00 0.00 0.00 61.98 59.07 2dpd s VAL 86 Cb -0.09 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.33 2dpd s VAL 86 CO 0.02 -0.93 1.14 -0.76 0.00 0.00 0.00 175.10 174.57 2dpd s LEU 87 N 0.15 4.18 -0.02 3.92 1.43 -0.23 -4.46 118.68 123.65 2dpd s LEU 87 Ca 0.16 2.27 -0.00 0.00 -1.03 0.00 0.00 54.13 55.53 2dpd s LEU 87 Cb -0.17 -4.06 -0.04 0.00 0.03 0.00 0.00 46.19 41.96 2dpd s LEU 87 CO -0.05 -0.63 0.04 -0.31 0.23 0.00 0.00 176.35 175.63 2dpd s TYR 88 N -1.47 3.21 0.40 0.29 1.51 -0.21 0.13 117.35 121.21 2dpd s TYR 88 Ca 0.57 0.18 0.05 0.00 -1.01 0.00 0.00 57.07 56.86 2dpd s TYR 88 Cb -0.29 -1.73 -0.06 0.00 -0.11 0.00 0.00 41.96 39.77 2dpd s TYR 88 CO 0.36 0.51 0.03 1.14 -1.11 0.00 0.00 175.55 176.48 2dpd s GLN 89 N -1.48 1.91 0.19 -0.62 -2.07 -0.32 -4.43 119.66 112.84 2dpd s GLN 89 Ca 0.19 -2.10 -0.30 0.00 -1.82 0.00 0.00 55.36 51.33 2dpd s GLN 89 Cb -0.12 -1.39 -0.08 0.00 -1.09 0.00 0.00 33.01 30.34 2dpd s GLN 89 CO 0.10 -0.14 1.24 -0.06 -1.32 0.00 0.00 175.29 175.11 2dpd s PHE 90 N -2.90 3.35 -0.18 9.60 0.08 -1.26 -0.79 117.98 125.88 2dpd s PHE 90 Ca 0.31 1.34 -0.14 0.00 0.12 0.00 0.00 56.93 58.56 2dpd s PHE 90 Cb 0.08 -3.50 -0.07 0.00 -0.57 0.00 0.00 43.02 38.96 2dpd s PHE 90 CO 0.15 -1.49 -0.23 1.17 -0.10 0.00 0.00 175.22 174.73 2dpd n LYS 91 N 2.57 0.51 -3.82 0.44 4.81 0.27 -4.70 118.16 118.25 2dpd n LYS 91 Ca 0.05 0.38 -0.30 0.00 -0.87 0.00 0.00 58.31 57.57 2dpd n LYS 91 Cb 0.44 -1.57 -0.14 0.00 0.02 0.00 0.00 35.03 33.78 2dpd n LYS 91 CO 0.00 0.00 0.00 0.34 1.17 0.00 0.00 177.40 178.91 2dpd s ASP 92 N -6.10 4.12 0.43 3.14 -1.08 -0.39 -4.97 116.67 111.82 2dpd s ASP 92 Ca -0.24 -2.18 0.21 0.00 -0.52 0.00 0.00 52.55 49.81 2dpd s ASP 92 Cb 0.05 -1.17 0.97 0.00 -1.46 0.00 0.00 42.92 41.31 2dpd s ASP 92 CO 0.37 -0.35 1.87 0.22 0.52 0.00 0.00 175.17 177.81 2dpd h TYR 93 N 7.42 0.00 -0.02 -5.34 3.20 -1.89 -1.94 116.97 118.40 2dpd h TYR 93 Ca -0.07 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.79 2dpd h TYR 93 Cb 0.98 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.25 2dpd h TYR 93 CO 0.43 0.27 -0.00 0.93 -1.64 0.00 0.00 178.16 178.15 2dpd h GLU 94 N 0.00 0.04 -0.93 1.82 5.08 -1.96 -0.11 114.58 118.51 2dpd h GLU 94 Ca -0.00 -0.01 0.26 0.00 -1.00 0.00 0.00 59.36 58.60 2dpd h GLU 94 Cb 0.65 -0.00 -0.14 0.00 0.50 0.00 0.00 28.75 29.76 2dpd h GLU 94 CO 0.03 0.39 0.39 0.00 -1.00 0.00 0.00 179.01 178.83 2dpd h ALA 95 N 0.64 1.54 0.43 3.43 0.00 -1.83 0.38 119.26 123.85 2dpd h ALA 95 Ca 0.00 0.19 -0.02 0.00 0.00 0.00 0.00 54.91 55.09 2dpd h ALA 95 Cb 0.38 0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.38 2dpd h ALA 95 CO 0.00 -0.45 -0.21 0.00 0.00 0.00 0.00 179.25 178.59 2dpd h ALA 96 N 1.78 -0.58 -0.79 0.00 0.00 -0.83 -2.30 119.26 116.54 2dpd h ALA 96 Ca 0.61 -0.18 0.18 0.00 0.00 0.00 0.00 54.91 55.53 2dpd h ALA 96 Cb 1.26 0.22 -0.12 0.00 0.00 0.00 0.00 17.79 19.16 2dpd h ALA 96 CO -0.60 -0.71 0.19 0.87 0.00 0.00 0.00 179.25 179.00 2dpd h LYS 97 N -0.80 0.24 0.35 0.00 1.57 0.46 0.20 116.57 118.60 2dpd h LYS 97 Ca -0.06 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 2dpd h LYS 97 Cb 0.55 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.80 2dpd h LYS 97 CO 0.10 0.16 -0.17 1.25 -0.57 0.00 0.00 179.45 180.22 2dpd h LEU 98 N 0.25 -0.40 -1.42 2.94 5.85 -0.91 -1.24 115.31 120.38 2dpd h LEU 98 Ca 0.46 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 59.19 2dpd h LEU 98 Cb 0.83 0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.93 2dpd h LEU 98 CO -0.57 -0.20 0.45 0.22 -0.34 0.00 0.00 178.44 178.00 2dpd h TYR 99 N -0.58 0.71 -0.28 1.25 -0.00 -0.73 -1.09 116.97 116.25 2dpd h TYR 99 Ca -0.05 0.02 -0.09 0.00 -0.00 0.00 0.00 58.73 58.61 2dpd h TYR 99 Cb 0.43 -0.24 -0.01 0.00 -0.00 0.00 0.00 36.73 36.91 2dpd h TYR 99 CO -0.03 0.39 -0.20 -0.22 -0.00 0.00 0.00 178.16 178.10 2dpd h LYS 100 N 0.71 0.51 -0.20 1.82 3.64 0.02 -1.15 116.57 121.92 2dpd h LYS 100 Ca 0.29 -0.17 -0.05 0.00 -1.27 0.00 0.00 60.65 59.44 2dpd h LYS 100 Cb 0.24 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.01 2dpd h LYS 100 CO -0.09 0.68 -0.08 0.87 -2.27 0.00 0.00 179.45 178.56 2dpd h LYS 101 N 0.46 0.40 -0.55 1.90 1.57 -0.07 -0.91 116.57 119.37 2dpd h LYS 101 Ca 0.07 -0.17 0.11 0.00 -1.87 0.00 0.00 60.65 58.79 2dpd h LYS 101 Cb 0.60 -0.01 -0.11 0.00 0.08 0.00 0.00 32.23 32.79 2dpd h LYS 101 CO 0.04 0.69 -0.19 1.96 -0.57 0.00 0.00 179.45 181.38 2dpd h GLN 102 N 0.11 -0.05 0.00 3.15 4.20 -0.92 -1.53 115.11 120.06 2dpd h GLN 102 Ca 0.05 0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.73 2dpd h GLN 102 Cb 0.56 0.01 -0.00 0.00 0.30 0.00 0.00 27.48 28.34 2dpd h GLN 102 CO 0.03 -0.04 -0.16 -0.07 -0.67 0.00 0.00 178.83 177.92 2dpd h LEU 103 N -0.05 0.00 -0.03 1.46 3.38 -0.85 0.24 115.31 119.46 2dpd h LEU 103 Ca 0.26 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 2dpd h LEU 103 Cb 0.45 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.20 2dpd h LEU 103 CO -0.59 0.16 0.01 0.50 0.09 0.00 0.00 178.44 178.61 2dpd h LYS 104 N 0.00 0.05 -0.38 1.13 1.63 -0.23 -0.89 116.57 117.88 2dpd h LYS 104 Ca -0.00 -0.01 0.06 0.00 -0.85 0.00 0.00 60.65 59.85 2dpd h LYS 104 Cb 0.38 -0.01 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 2dpd h LYS 104 CO 0.02 0.18 0.06 0.28 -3.45 0.00 0.00 179.45 176.54 2dpd h VAL 105 N -0.10 0.79 0.09 2.00 2.07 0.11 0.26 116.25 121.47 2dpd h VAL 105 Ca 0.01 -0.06 0.02 0.00 0.82 0.00 0.00 66.70 67.49 2dpd h VAL 105 Cb 0.15 0.59 -0.04 0.00 -1.52 0.00 0.00 31.29 30.48 2dpd h VAL 105 CO -0.00 0.03 -0.30 -0.33 0.02 0.00 0.00 177.57 176.99 2dpd h GLU 106 N 0.18 -0.48 -0.68 1.57 4.39 -0.57 -1.36 114.58 117.63 2dpd h GLU 106 Ca 0.18 0.03 0.06 0.00 0.34 0.00 0.00 59.36 59.97 2dpd h GLU 106 Cb 0.22 0.11 -0.04 0.00 -0.10 0.00 0.00 28.75 28.94 2dpd h GLU 106 CO -0.25 -0.32 0.45 -0.07 -1.16 0.00 0.00 179.01 177.66 2dpd h LEU 107 N -0.50 0.62 0.18 1.33 3.38 -0.60 -0.49 115.31 119.23 2dpd h LEU 107 Ca 0.04 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.00 2dpd h LEU 107 Cb 0.54 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.16 2dpd h LEU 107 CO -0.19 0.41 -0.09 0.44 0.09 0.00 0.00 178.44 179.10 2dpd h ASP 108 N 0.71 -0.20 -0.38 -0.43 3.32 0.56 -0.12 116.42 119.87 2dpd h ASP 108 Ca 0.29 -0.12 0.08 0.00 0.02 0.00 0.00 57.03 57.30 2dpd h ASP 108 Cb 0.24 0.05 -0.07 0.00 0.22 0.00 0.00 39.33 39.77 2dpd h ASP 108 CO -0.09 -0.00 -0.09 0.03 -1.72 0.00 0.00 179.24 177.37 2dpd h ARG 109 N -0.40 0.01 -0.48 3.56 3.08 -1.10 -1.58 114.38 117.47 2dpd h ARG 109 Ca -0.02 -0.00 0.08 0.00 0.07 0.00 0.00 59.98 60.11 2dpd h ARG 109 Cb 0.31 -0.00 -0.07 0.00 0.08 0.00 0.00 29.97 30.29 2dpd h ARG 109 CO 0.04 0.00 0.08 0.77 -1.07 0.00 0.00 179.97 179.80 2dpd h SER 110 N 0.01 -0.03 -0.26 7.04 0.02 -0.75 0.70 113.55 120.27 2dpd h SER 110 Ca 0.19 0.09 0.06 0.00 -0.84 0.00 0.00 61.79 61.29 2dpd h SER 110 Cb 0.28 0.13 -0.06 0.00 0.14 0.00 0.00 62.40 62.89 2dpd h SER 110 CO -0.39 0.01 -0.12 0.50 -1.14 0.00 0.00 176.83 175.69 2dpd h LYS 111 N 0.21 -0.08 -0.21 3.45 3.64 -0.85 -2.36 116.57 120.37 2dpd h LYS 111 Ca 0.24 0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.68 2dpd h LYS 111 Cb 0.33 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 32.11 2dpd h LYS 111 CO -0.33 -0.06 -0.15 0.87 -2.27 0.00 0.00 179.45 177.51 2dpd h LYS 112 N -0.09 -0.15 -0.03 1.90 1.57 0.12 0.63 116.57 120.53 2dpd h LYS 112 Ca 0.14 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.96 2dpd h LYS 112 Cb 0.30 0.03 -0.06 0.00 0.08 0.00 0.00 32.23 32.58 2dpd h LYS 112 CO -0.32 -0.10 -0.45 -0.07 -0.57 0.00 0.00 179.45 177.94 2dpd h LEU 113 N -0.16 -1.37 -0.44 2.94 3.38 -0.47 0.29 115.31 119.49 2dpd h LEU 113 Ca 0.12 0.17 0.05 0.00 0.09 0.00 0.00 57.88 58.31 2dpd h LEU 113 Cb 0.34 0.54 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2dpd h LEU 113 CO -0.30 -0.47 0.15 0.40 0.09 0.00 0.00 178.44 178.31 2dpd h ILE 114 N -0.58 0.86 -0.21 1.22 5.03 -0.86 0.93 117.51 123.91 2dpd h ILE 114 Ca 0.05 -0.11 -0.06 0.00 -0.12 0.00 0.00 64.86 64.61 2dpd h ILE 114 Cb 0.67 0.51 -0.01 0.00 -3.03 0.00 0.00 36.82 34.96 2dpd h ILE 114 CO -0.34 0.06 -0.15 -0.33 -0.68 0.00 0.00 178.15 176.71 2dpd h GLU 115 N 0.32 0.35 -0.00 2.37 5.08 -0.44 0.86 114.58 123.12 2dpd h GLU 115 Ca 0.20 -0.09 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 2dpd h GLU 115 Cb 0.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 2dpd h GLU 115 CO -0.21 0.50 -0.00 -0.22 -1.00 0.00 0.00 179.01 178.08 2dpd h LYS 116 N 0.33 0.01 -0.70 2.33 3.64 0.62 -1.99 116.57 120.81 2dpd h LYS 116 Ca 0.06 -0.00 0.06 0.00 -1.27 0.00 0.00 60.65 59.50 2dpd h LYS 116 Cb 0.46 -0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.22 2dpd h LYS 116 CO 0.03 0.44 0.40 0.00 -2.27 0.00 0.00 179.45 178.05 2dpd h ALA 117 N 0.57 0.95 0.00 5.00 0.00 -0.68 -0.78 119.26 124.32 2dpd h ALA 117 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 2dpd h ALA 117 Cb 0.44 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.09 2dpd h ALA 117 CO 0.00 0.08 -0.10 1.25 0.00 0.00 0.00 179.25 180.48 2dpd h LEU 118 N 0.73 0.00 0.00 0.00 7.12 -0.81 -2.11 115.31 120.24 2dpd h LEU 118 Ca 0.31 0.00 -0.09 0.00 0.13 0.00 0.00 57.88 58.23 2dpd h LEU 118 Cb 0.19 0.00 -0.01 0.00 -0.53 0.00 0.00 40.66 40.31 2dpd h LEU 118 CO -0.18 0.10 -0.59 -1.28 -0.13 0.00 0.00 178.44 176.36 2dpd h SER 119 N 0.00 0.00 0.50 1.25 0.87 -0.43 -3.30 113.55 112.44 2dpd h SER 119 Ca -0.00 -0.52 -0.02 0.00 -1.23 0.00 0.00 61.79 60.01 2dpd h SER 119 Cb 0.46 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.42 2dpd h SER 119 CO 0.01 1.10 -0.24 0.44 -0.53 0.00 0.00 176.83 177.61 2dpd h ASP 120 N -1.00 -0.57 1.52 6.23 3.32 -1.15 -3.31 116.42 121.47 2dpd h ASP 120 Ca -0.14 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 56.87 2dpd h ASP 120 Cb 0.92 0.15 -0.00 0.00 0.22 0.00 0.00 39.33 40.61 2dpd h ASP 120 CO -0.09 -0.34 -0.08 0.78 -1.72 0.00 0.00 179.24 177.79 2dpd h ASN 121 N -0.76 0.00 0.00 6.45 4.21 -1.60 -3.52 115.58 120.37 2dpd h ASN 121 Ca -0.07 0.00 0.00 0.00 1.21 0.00 0.00 56.30 57.44 2dpd h ASN 121 Cb 0.56 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 37.76 2dpd h ASN 121 CO 0.11 0.08 0.00 0.49 -1.29 0.00 0.00 177.43 176.82