#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i n ALA 3 N 0.00 -2.32 -2.69 4.61 0.00 -1.26 -4.92 120.51 113.92 2h3i n ALA 3 Ca 0.00 -0.13 -0.04 0.00 0.00 0.00 0.00 53.44 53.27 2h3i n ALA 3 Cb 0.00 -3.60 0.12 0.00 0.00 0.00 0.00 19.45 15.96 2h3i n ALA 3 CO 0.00 0.00 0.00 2.89 0.00 0.00 0.00 177.50 180.39 2h3i n ARG 4 N -4.01 1.31 -2.49 0.00 1.85 -1.26 -5.14 116.66 106.91 2h3i n ARG 4 Ca -0.17 -1.71 -0.05 0.00 -1.00 0.00 0.00 57.85 54.92 2h3i n ARG 4 Cb 0.63 0.03 -0.02 0.00 -1.05 0.00 0.00 32.46 32.05 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2h3i n ALA 5 N -1.02 0.07 -3.51 2.89 0.00 -1.26 -5.14 120.51 112.53 2h3i n ALA 5 Ca -0.09 -0.54 -0.29 0.00 0.00 0.00 0.00 53.44 52.52 2h3i n ALA 5 Cb 0.86 0.44 -0.14 0.00 0.00 0.00 0.00 19.45 20.61 2h3i n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h3i s SER 6 N -1.68 3.34 0.00 0.00 0.15 -1.26 -4.94 113.70 109.31 2h3i s SER 6 Ca 0.10 -1.63 0.00 0.00 0.70 0.00 0.00 55.95 55.13 2h3i s SER 6 Cb 0.00 -0.38 0.00 0.00 -1.71 0.00 0.00 66.02 63.94 2h3i s SER 6 CO 0.07 -0.39 0.00 0.52 1.20 0.00 0.00 173.24 174.64 2h3i n VAL 7 N 4.80 0.00 -2.32 4.45 0.31 -1.26 -5.07 118.33 119.24 2h3i n VAL 7 Ca 0.01 0.00 -0.41 0.00 -0.01 0.00 0.00 64.34 63.93 2h3i n VAL 7 Cb 0.40 -0.27 -0.03 0.00 -0.91 0.00 0.00 33.84 33.03 2h3i n VAL 7 CO 0.00 0.00 0.00 -0.76 -1.32 0.00 0.00 176.83 174.75 2h3i s LEU 8 N -3.93 4.45 0.00 7.52 1.43 -1.26 -5.02 118.68 121.88 2h3i s LEU 8 Ca 0.00 2.33 0.00 0.00 -1.03 0.00 0.00 54.13 55.43 2h3i s LEU 8 Cb 0.00 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.60 2h3i s LEU 8 CO 0.00 -0.40 0.00 -0.24 0.23 0.00 0.00 176.35 175.94 2h3i n SER 9 N 2.16 0.00 -0.07 2.29 2.88 -1.26 -4.86 113.62 114.76 2h3i n SER 9 Ca 0.04 -0.61 -0.12 0.00 -1.33 0.00 0.00 58.87 56.84 2h3i n SER 9 Cb 0.44 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.80 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -1.23 0.00 0.00 175.04 175.04 2h3i h GLY 10 N 0.00 0.00 2.00 0.46 0.00 -1.99 -2.60 103.07 100.94 2h3i h GLY 10 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h3i h GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.21 2h3i h GLY 11 N -1.00 0.00 0.80 4.60 0.00 -2.00 -2.62 103.07 102.85 2h3i h GLY 11 Ca -0.05 0.00 -0.33 0.00 0.00 0.00 0.00 47.33 46.94 2h3i h GLY 11 CO -0.03 0.00 -1.85 0.83 0.00 0.00 0.00 176.54 175.49 2h3i h GLU 12 N 0.00 0.17 0.24 4.80 3.07 -1.94 -3.18 114.58 117.75 2h3i h GLU 12 Ca 0.00 -0.30 -0.01 0.00 -0.50 0.00 0.00 59.36 58.55 2h3i h GLU 12 Cb 0.35 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 28.37 2h3i h GLU 12 CO 0.00 0.95 -0.12 1.25 -1.40 0.00 0.00 179.01 179.70 2h3i h LEU 13 N 0.05 -0.27 -0.70 1.33 7.12 -1.21 0.37 115.31 121.99 2h3i h LEU 13 Ca -0.36 -0.18 -0.00 0.00 0.13 0.00 0.00 57.88 57.47 2h3i h LEU 13 Cb 2.03 0.07 -0.03 0.00 -0.53 0.00 0.00 40.66 42.20 2h3i h LEU 13 CO 0.09 0.05 0.43 0.44 -0.13 0.00 0.00 178.44 179.31 2h3i h ASP 14 N -0.61 0.83 -0.37 1.25 5.19 -1.67 -2.56 116.42 118.48 2h3i h ASP 14 Ca -0.03 -0.06 -0.14 0.00 -0.62 0.00 0.00 57.03 56.18 2h3i h ASP 14 Cb 0.44 -0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.73 2h3i h ASP 14 CO 0.05 0.64 -0.30 0.11 -3.12 0.00 0.00 179.24 176.63 2h3i h LYS 15 N 0.95 0.89 -0.58 3.56 1.57 -1.53 -2.63 116.57 118.80 2h3i h LYS 15 Ca 0.25 -0.42 0.09 0.00 -1.87 0.00 0.00 60.65 58.70 2h3i h LYS 15 Cb -0.04 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.19 2h3i h LYS 15 CO -0.05 1.07 0.22 2.35 -0.57 0.00 0.00 179.45 182.46 2h3i h TRP 16 N 0.75 0.38 0.00 -1.35 2.91 0.12 0.18 115.95 118.94 2h3i h TRP 16 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2h3i h TRP 16 Cb 0.86 -0.08 0.00 0.00 -0.51 0.00 0.00 29.16 29.43 2h3i h TRP 16 CO 0.05 0.10 0.00 0.39 -1.03 0.00 0.00 178.44 177.95 2h3i n GLU 17 N -5.00 0.13 0.02 2.65 1.02 -1.00 -2.58 120.64 115.88 2h3i n GLU 17 Ca 0.08 0.21 0.12 0.00 -0.02 0.00 0.00 57.16 57.54 2h3i n GLU 17 Cb 0.25 -1.69 0.21 0.00 -0.02 0.00 0.00 31.44 30.20 2h3i n GLU 17 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 2h3i n LYS 18 N -1.92 0.09 -3.11 3.49 4.81 0.50 -4.26 118.16 117.76 2h3i n LYS 18 Ca 0.05 0.02 -0.39 0.00 -0.87 0.00 0.00 58.31 57.12 2h3i n LYS 18 Cb 0.32 -1.55 -0.06 0.00 0.02 0.00 0.00 35.03 33.76 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2h3i s ILE 19 N -3.05 4.68 0.81 3.15 1.01 -0.44 -4.92 121.20 122.43 2h3i s ILE 19 Ca 0.09 1.45 -0.09 0.00 0.00 0.00 0.00 60.65 62.10 2h3i s ILE 19 Cb 0.16 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.74 2h3i s ILE 19 CO 0.71 0.47 1.14 -0.13 0.00 0.00 0.00 174.94 177.13 2h3i s ARG 20 N -0.64 1.51 -0.20 2.79 0.52 -0.99 -0.49 118.95 121.46 2h3i s ARG 20 Ca 0.34 -0.45 0.03 0.00 -0.52 0.00 0.00 55.73 55.12 2h3i s ARG 20 Cb -0.20 -2.07 -0.14 0.00 0.52 0.00 0.00 34.95 33.06 2h3i s ARG 20 CO 0.21 -1.73 -0.15 1.28 0.02 0.00 0.00 175.30 174.93 2h3i n LEU 21 N -3.24 2.59 -4.80 2.53 4.77 -0.68 -3.18 117.00 114.99 2h3i n LEU 21 Ca 0.12 -0.10 -0.22 0.00 -0.03 0.00 0.00 56.01 55.78 2h3i n LEU 21 Cb 0.60 -0.57 -0.05 0.00 -2.33 0.00 0.00 43.42 41.07 2h3i n LEU 21 CO 0.48 0.79 -0.10 -0.13 -1.33 0.00 0.00 177.39 177.10 2h3i s ARG 22 N -2.41 2.43 -0.02 3.23 0.52 -1.26 -3.61 118.95 117.83 2h3i s ARG 22 Ca -0.25 -1.60 -0.25 0.00 -0.52 0.00 0.00 55.73 53.11 2h3i s ARG 22 Cb 0.07 -2.23 -0.19 0.00 0.52 0.00 0.00 34.95 33.12 2h3i s ARG 22 CO 0.50 -0.06 1.20 -1.00 0.02 0.00 0.00 175.30 175.95 2h3i h PRO 23 N 1.29 -0.11 -0.40 3.54 0.13 -1.94 -3.33 132.00 131.18 2h3i h PRO 23 Ca -0.43 0.01 -0.22 0.00 -0.87 0.00 0.00 66.00 64.49 2h3i h PRO 23 Cb 1.26 0.02 -0.14 0.00 0.13 0.00 0.00 31.00 32.28 2h3i h PRO 23 CO 0.62 0.34 -0.11 0.41 -0.23 0.00 0.00 178.00 179.03 2h3i n GLY 24 N 0.19 5.06 0.82 1.56 0.00 -1.26 -4.96 105.19 106.60 2h3i n GLY 24 Ca -0.09 -1.37 -0.04 0.00 0.00 0.00 0.00 46.02 44.52 2h3i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3i n GLY 25 N -1.09 2.00 0.00 -0.02 0.00 -1.25 -5.05 105.19 99.78 2h3i n GLY 25 Ca 0.35 -2.15 0.00 0.00 0.00 0.00 0.00 46.02 44.22 2h3i n GLY 25 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2h3i n LYS 26 N -1.23 1.18 -2.55 1.61 4.01 -1.26 -4.92 118.16 115.00 2h3i n LYS 26 Ca 0.03 -0.22 -0.37 0.00 -0.51 0.00 0.00 58.31 57.24 2h3i n LYS 26 Cb 0.13 -0.67 -0.04 0.00 -0.51 0.00 0.00 35.03 33.94 2h3i n LYS 26 CO 0.00 0.00 0.00 -1.59 -1.11 0.00 0.00 177.40 174.70 2h3i s LYS 27 N -0.23 4.21 0.44 1.97 -2.85 -1.26 -4.99 119.74 117.02 2h3i s LYS 27 Ca 0.00 1.53 0.02 0.00 -1.00 0.00 0.00 55.97 56.51 2h3i s LYS 27 Cb 0.00 -2.59 0.02 0.00 -2.06 0.00 0.00 37.83 33.19 2h3i s LYS 27 CO 0.00 -0.10 0.14 0.00 0.10 0.00 0.00 175.35 175.49 2h3i n GLN 28 N 0.03 0.91 -3.65 1.78 -0.00 -1.26 -1.68 117.38 113.51 2h3i n GLN 28 Ca 0.04 -2.99 -0.33 0.00 -0.00 0.00 0.00 57.00 53.72 2h3i n GLN 28 Cb 0.49 0.61 -0.05 0.00 -0.00 0.00 0.00 30.24 31.29 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3i s TYR 29 N -2.42 3.54 0.10 2.61 2.02 0.35 -4.63 117.35 118.93 2h3i s TYR 29 Ca 0.11 0.66 -0.01 0.00 -0.37 0.00 0.00 57.07 57.45 2h3i s TYR 29 Cb -0.01 -2.07 -0.04 0.00 -0.40 0.00 0.00 41.96 39.45 2h3i s TYR 29 CO 0.07 0.51 0.03 0.15 -1.57 0.00 0.00 175.55 174.74 2h3i s LYS 30 N -2.16 0.83 0.24 -0.62 1.02 -1.26 -4.02 119.74 113.77 2h3i s LYS 30 Ca 0.35 -1.36 -0.09 0.00 0.02 0.00 0.00 55.97 54.89 2h3i s LYS 30 Cb -0.13 0.23 0.38 0.00 -0.52 0.00 0.00 37.83 37.79 2h3i s LYS 30 CO 0.20 -0.21 1.62 -0.07 -0.92 0.00 0.00 175.35 175.97 2h3i h LEU 31 N 2.95 -0.52 -0.88 3.17 3.38 -1.99 0.78 115.31 122.21 2h3i h LEU 31 Ca -0.35 0.21 0.27 0.00 0.09 0.00 0.00 57.88 58.10 2h3i h LEU 31 Cb 1.18 0.40 -0.16 0.00 0.09 0.00 0.00 40.66 42.17 2h3i h LEU 31 CO 0.61 -0.22 0.12 1.17 0.09 0.00 0.00 178.44 180.21 2h3i n LYS 32 N -5.42 -0.07 -0.07 1.13 4.81 -1.26 0.92 118.16 118.21 2h3i n LYS 32 Ca 0.12 1.29 -0.12 0.00 -0.87 0.00 0.00 58.31 58.73 2h3i n LYS 32 Cb 0.43 -2.10 -0.06 0.00 0.02 0.00 0.00 35.03 33.32 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 2h3i h HIS 33 N 0.00 0.47 0.52 5.64 3.86 -1.26 -2.04 115.15 122.35 2h3i h HIS 33 Ca 0.58 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2h3i h HIS 33 Cb 1.29 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 29.63 2h3i h HIS 33 CO -0.35 0.69 -0.42 0.82 0.86 0.00 0.00 177.93 179.53 2h3i h ILE 34 N 0.12 0.15 -0.44 2.45 2.04 0.61 -2.15 117.51 120.29 2h3i h ILE 34 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 65.99 2h3i h ILE 34 Cb 0.56 0.15 -0.08 0.00 -0.74 0.00 0.00 36.82 36.71 2h3i h ILE 34 CO 0.03 0.00 -0.03 0.58 0.00 0.00 0.00 178.15 178.72 2h3i h VAL 35 N -0.93 0.62 -0.11 1.67 2.07 -1.26 0.34 116.25 118.65 2h3i h VAL 35 Ca -0.06 -0.03 0.03 0.00 0.82 0.00 0.00 66.70 67.47 2h3i h VAL 35 Cb 0.79 0.54 -0.00 0.00 -1.52 0.00 0.00 31.29 31.10 2h3i h VAL 35 CO -0.01 0.01 0.23 -0.25 0.02 0.00 0.00 177.57 177.57 2h3i h TRP 36 N 0.07 0.00 0.00 1.57 7.01 -1.15 0.32 115.95 123.77 2h3i h TRP 36 Ca 0.22 0.00 -0.22 0.00 2.11 0.00 0.00 58.89 61.00 2h3i h TRP 36 Cb 0.33 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.36 2h3i h TRP 36 CO -0.32 0.00 -1.29 0.00 -2.79 0.00 0.00 178.44 174.04 2h3i n ALA 37 N -2.13 0.78 -0.11 2.65 0.00 0.83 -3.71 120.51 118.82 2h3i n ALA 37 Ca 0.00 -0.56 0.02 0.00 0.00 0.00 0.00 53.44 52.90 2h3i n ALA 37 Cb 0.32 -0.36 0.32 0.00 0.00 0.00 0.00 19.45 19.73 2h3i n ALA 37 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2h3i h SER 38 N -1.00 0.67 0.63 0.00 0.02 -0.10 -0.90 113.55 112.87 2h3i h SER 38 Ca -0.33 -0.03 -0.05 0.00 -0.84 0.00 0.00 61.79 60.54 2h3i h SER 38 Cb 1.20 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.57 2h3i h SER 38 CO -0.20 0.51 -0.25 -0.09 -1.14 0.00 0.00 176.83 175.66 2h3i h ARG 39 N 0.78 0.00 0.16 3.45 9.65 -0.57 -2.80 114.38 125.05 2h3i h ARG 39 Ca 0.21 0.00 -0.29 0.00 -1.10 0.00 0.00 59.98 58.79 2h3i h ARG 39 Cb -0.05 0.00 0.02 0.00 -1.39 0.00 0.00 29.97 28.55 2h3i h ARG 39 CO -0.04 0.25 -1.30 1.49 2.80 0.00 0.00 179.97 183.17 2h3i h GLU 40 N 0.00 0.37 -0.30 0.20 4.57 -1.27 -3.26 114.58 114.88 2h3i h GLU 40 Ca -0.00 -0.61 -0.06 0.00 -1.18 0.00 0.00 59.36 57.50 2h3i h GLU 40 Cb 0.63 0.23 -0.02 0.00 -0.16 0.00 0.00 28.75 29.43 2h3i h GLU 40 CO 0.03 1.29 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.99 2h3i h LEU 41 N 0.11 0.47 -0.55 1.64 3.38 -1.17 0.52 115.31 119.71 2h3i h LEU 41 Ca -0.17 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.66 2h3i h LEU 41 Cb 2.02 -0.13 -0.02 0.00 0.09 0.00 0.00 40.66 42.62 2h3i h LEU 41 CO 0.23 0.61 0.23 -0.08 0.09 0.00 0.00 178.44 179.51 2h3i h GLU 42 N 0.46 0.82 0.02 1.13 4.81 -1.56 -0.24 114.58 120.02 2h3i h GLU 42 Ca 0.09 -0.14 -0.21 0.00 -0.13 0.00 0.00 59.36 58.96 2h3i h GLU 42 Cb 0.45 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2h3i h GLU 42 CO 0.02 0.71 -0.96 -0.09 -0.73 0.00 0.00 179.01 177.96 2h3i h ARG 43 N 0.75 0.17 0.00 1.92 1.12 -1.54 -3.11 114.38 113.69 2h3i h ARG 43 Ca 0.18 -0.21 0.00 0.00 -1.11 0.00 0.00 59.98 58.84 2h3i h ARG 43 Cb 0.19 0.07 0.00 0.00 -0.01 0.00 0.00 29.97 30.22 2h3i h ARG 43 CO -0.02 1.00 0.00 1.19 -3.11 0.00 0.00 179.97 179.03 2h3i n PHE 44 N -3.58 0.75 -0.37 2.20 3.72 0.15 -4.81 117.46 115.52 2h3i n PHE 44 Ca -0.04 0.35 0.00 0.00 -0.05 0.00 0.00 57.45 57.72 2h3i n PHE 44 Cb 0.87 -1.07 0.00 0.00 -0.94 0.00 0.00 39.48 38.34 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3i n ALA 45 N -1.77 0.00 -2.84 4.37 0.00 -1.05 -5.06 120.51 114.15 2h3i n ALA 45 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 53.10 2h3i n ALA 45 Cb 0.11 -0.01 -0.10 0.00 0.00 0.00 0.00 19.45 19.45 2h3i n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3i s VAL 46 N -2.00 4.52 -0.15 0.00 1.01 -0.13 -5.04 120.40 118.62 2h3i s VAL 46 Ca 0.00 -0.14 -0.37 0.00 0.00 0.00 0.00 61.98 61.47 2h3i s VAL 46 Cb 0.00 -3.01 -0.14 0.00 0.00 0.00 0.00 36.38 33.23 2h3i s VAL 46 CO 0.00 0.49 1.75 0.59 0.00 0.00 0.00 175.10 177.93 2h3i n ASN 47 N 3.30 2.74 0.00 3.32 3.02 -1.26 -3.72 115.26 122.65 2h3i n ASN 47 Ca -0.17 1.04 0.07 0.00 -0.03 0.00 0.00 54.58 55.49 2h3i n ASN 47 Cb 0.53 -1.24 0.33 0.00 -0.61 0.00 0.00 39.78 38.78 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2h3i n PRO 48 N 5.45 0.08 0.08 3.52 -0.04 -1.26 -2.43 135.00 140.40 2h3i n PRO 48 Ca 0.24 0.21 0.13 0.00 -0.04 0.00 0.00 63.50 64.04 2h3i n PRO 48 Cb 0.20 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.62 2h3i n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3i n GLY 49 N -0.04 -1.64 0.25 0.55 0.00 -1.26 -3.43 105.19 99.61 2h3i n GLY 49 Ca 0.05 -0.04 0.03 0.00 0.00 0.00 0.00 46.02 46.06 2h3i n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h3i h LEU 50 N 0.00 0.23 -0.55 0.99 3.38 -1.81 -1.14 115.31 116.40 2h3i h LEU 50 Ca 0.00 -0.04 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2h3i h LEU 50 Cb 0.67 -0.06 0.00 0.00 0.09 0.00 0.00 40.66 41.36 2h3i h LEU 50 CO 0.00 0.34 0.00 0.18 0.09 0.00 0.00 178.44 179.05 2h3i n LEU 51 N -4.32 0.60 0.10 1.67 4.77 -1.22 -2.61 117.00 115.99 2h3i n LEU 51 Ca -0.01 0.64 -0.17 0.00 -0.03 0.00 0.00 56.01 56.45 2h3i n LEU 51 Cb 0.23 -0.54 -0.11 0.00 -2.33 0.00 0.00 43.42 40.67 2h3i n LEU 51 CO 0.37 -0.49 -0.00 -0.08 -1.33 0.00 0.00 177.39 175.87 2h3i h GLU 52 N 0.00 0.37 -6.03 3.23 4.81 -1.40 -3.45 114.58 112.11 2h3i h GLU 52 Ca 0.00 -0.53 -0.68 0.00 -0.13 0.00 0.00 59.36 58.02 2h3i h GLU 52 Cb 0.39 0.19 -0.21 0.00 0.63 0.00 0.00 28.75 29.75 2h3i h GLU 52 CO 0.00 1.22 -0.71 0.95 -0.73 0.00 0.00 179.01 179.74 2h3i s THR 53 N -2.85 3.57 0.42 0.32 -4.23 -1.07 -5.00 115.64 106.79 2h3i s THR 53 Ca -0.05 -0.52 0.16 0.00 -1.18 0.00 0.00 61.69 60.09 2h3i s THR 53 Cb 0.07 -2.46 0.36 0.00 1.34 0.00 0.00 72.50 71.81 2h3i s THR 53 CO 0.89 0.58 1.90 0.77 -0.54 0.00 0.00 174.62 178.22 2h3i h SER 54 N 5.52 0.41 -0.51 3.99 4.64 -1.87 0.74 113.55 126.47 2h3i h SER 54 Ca -0.45 0.03 -0.04 0.00 -0.47 0.00 0.00 61.79 60.86 2h3i h SER 54 Cb 1.17 -0.05 -0.03 0.00 -0.31 0.00 0.00 62.40 63.18 2h3i h SER 54 CO 0.53 0.20 0.20 -0.08 -0.87 0.00 0.00 176.83 176.82 2h3i h GLU 55 N 0.44 0.81 -0.22 4.77 4.81 -1.95 -2.90 114.58 120.35 2h3i h GLU 55 Ca 0.40 -0.13 0.01 0.00 -0.13 0.00 0.00 59.36 59.51 2h3i h GLU 55 Cb 0.91 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 30.13 2h3i h GLU 55 CO -0.14 0.69 0.11 0.78 -0.73 0.00 0.00 179.01 179.72 2h3i h GLY 56 N 0.94 0.28 0.76 1.92 0.00 -0.88 -2.88 103.07 103.22 2h3i h GLY 56 Ca 0.19 -0.08 0.03 0.00 0.00 0.00 0.00 47.33 47.47 2h3i h GLY 56 CO -0.01 0.07 0.08 0.00 0.00 0.00 0.00 176.54 176.67 2h3i h ARG 58 N 0.19 0.17 0.22 0.00 2.43 -1.32 0.41 114.38 116.48 2h3i h ARG 58 Ca 0.11 -0.01 -0.34 0.00 -0.81 0.00 0.00 59.98 58.94 2h3i h ARG 58 Cb 0.09 -0.04 0.03 0.00 -0.42 0.00 0.00 29.97 29.63 2h3i h ARG 58 CO -0.13 0.11 -1.57 0.37 -1.51 0.00 0.00 179.97 177.24 2h3i h GLN 59 N 0.18 0.46 0.71 0.20 4.15 -1.24 -3.19 115.11 116.37 2h3i h GLN 59 Ca 0.70 -0.79 -0.03 0.00 0.77 0.00 0.00 58.65 59.29 2h3i h GLN 59 Cb 2.21 0.30 0.01 0.00 0.21 0.00 0.00 27.48 30.20 2h3i h GLN 59 CO -0.27 1.38 -0.34 0.82 -1.93 0.00 0.00 178.83 178.49 2h3i h ILE 60 N 0.09 0.00 -0.98 2.39 2.04 0.60 -2.65 117.51 119.00 2h3i h ILE 60 Ca -0.29 -0.20 0.27 0.00 1.00 0.00 0.00 64.86 65.64 2h3i h ILE 60 Cb 2.11 0.00 -0.05 0.00 -0.74 0.00 0.00 36.82 38.14 2h3i h ILE 60 CO 0.22 0.00 0.69 -0.07 0.00 0.00 0.00 178.15 179.00 2h3i h LEU 61 N -1.16 0.10 -0.85 1.44 3.38 -0.68 0.35 115.31 117.89 2h3i h LEU 61 Ca -0.10 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.77 2h3i h LEU 61 Cb 0.73 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 2h3i h LEU 61 CO 0.16 0.03 -0.41 1.23 0.09 0.00 0.00 178.44 179.53 2h3i h GLY 62 N 0.09 0.37 0.46 0.83 0.00 -1.51 0.23 103.07 103.54 2h3i h GLY 62 Ca 0.48 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.41 2h3i h GLY 62 CO -0.06 0.32 -0.19 1.46 0.00 0.00 0.00 176.54 178.07 2h3i h GLN 63 N 0.28 0.16 0.00 4.80 4.20 0.03 -3.25 115.11 121.33 2h3i h GLN 63 Ca 0.02 -0.15 -0.03 0.00 0.06 0.00 0.00 58.65 58.55 2h3i h GLN 63 Cb 0.85 0.04 -0.00 0.00 0.30 0.00 0.00 27.48 28.66 2h3i h GLN 63 CO 0.07 0.85 -0.16 -0.07 -0.67 0.00 0.00 178.83 178.84 2h3i h LEU 64 N -0.47 0.00 -0.01 1.46 3.38 -1.41 -3.31 115.31 114.94 2h3i h LEU 64 Ca -0.02 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 64 Cb 0.90 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.60 2h3i h LEU 64 CO 0.04 0.16 -0.45 -0.61 0.09 0.00 0.00 178.44 177.67 2h3i h GLN 65 N 0.00 -0.54 0.00 1.13 4.15 -0.57 0.24 115.11 119.52 2h3i h GLN 65 Ca -0.00 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.45 2h3i h GLN 65 Cb 0.84 0.12 0.00 0.00 0.21 0.00 0.00 27.48 28.65 2h3i h GLN 65 CO 0.02 -0.36 0.00 -0.35 -1.93 0.00 0.00 178.83 176.21 2h3i n PRO 66 N -4.97 0.37 -0.00 -2.39 -0.04 -1.25 -1.88 135.00 124.83 2h3i n PRO 66 Ca -0.06 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.55 2h3i n PRO 66 Cb 0.33 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.19 2h3i n PRO 66 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2h3i n SER 67 N -1.13 0.84 0.32 3.54 2.88 0.21 -4.38 113.62 115.90 2h3i n SER 67 Ca 0.10 -0.71 0.15 0.00 -1.33 0.00 0.00 58.87 57.08 2h3i n SER 67 Cb 0.08 1.17 0.80 0.00 -0.75 0.00 0.00 64.21 65.51 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -1.23 0.00 0.00 175.04 173.74 2h3i h LEU 68 N 0.00 0.00 0.05 2.46 3.38 0.09 0.67 115.31 121.95 2h3i h LEU 68 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2h3i h LEU 68 Cb 0.49 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.19 2h3i h LEU 68 CO 0.00 0.00 -2.19 1.67 0.09 0.00 0.00 178.44 178.01 2h3i n GLN 69 N -2.94 0.67 0.05 1.13 7.27 -1.26 -4.60 117.38 117.71 2h3i n GLN 69 Ca -0.01 0.25 -0.10 0.00 0.07 0.00 0.00 57.00 57.21 2h3i n GLN 69 Cb 0.41 -1.61 -0.07 0.00 2.41 0.00 0.00 30.24 31.38 2h3i n GLN 69 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2h3i h THR 70 N -0.20 0.74 -3.46 1.69 1.35 -1.37 -3.46 112.91 108.21 2h3i h THR 70 Ca -0.52 -1.13 -0.48 0.00 -0.55 0.00 0.00 66.41 63.73 2h3i h THR 70 Cb 1.85 1.27 0.21 0.00 -1.73 0.00 0.00 68.15 69.76 2h3i h THR 70 CO -0.08 0.20 -0.19 0.61 -0.25 0.00 0.00 175.52 175.81 2h3i n GLY 71 N 0.72 -1.56 0.00 5.82 0.00 0.22 -5.04 105.19 105.35 2h3i n GLY 71 Ca -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.05 2h3i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h3i n SER 72 N -3.64 0.00 0.32 1.61 3.41 -1.26 -4.86 113.62 109.20 2h3i n SER 72 Ca 0.06 -0.02 0.20 0.00 -0.26 0.00 0.00 58.87 58.85 2h3i n SER 72 Cb 0.54 0.00 1.07 0.00 -0.26 0.00 0.00 64.21 65.56 2h3i n SER 72 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 175.04 174.80 2h3i h GLU 73 N 0.00 0.00 0.00 4.33 4.81 -1.96 -1.14 114.58 120.61 2h3i h GLU 73 Ca 0.00 0.00 -0.03 0.00 -0.13 0.00 0.00 59.36 59.20 2h3i h GLU 73 Cb 0.00 0.00 -0.00 0.00 0.63 0.00 0.00 28.75 29.38 2h3i h GLU 73 CO 0.00 0.01 -0.15 0.93 -0.73 0.00 0.00 179.01 179.07 2h3i h GLU 74 N 0.00 0.00 0.00 1.92 5.08 -2.01 -1.71 114.58 117.86 2h3i h GLU 74 Ca -0.00 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2h3i h GLU 74 Cb 0.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.33 2h3i h GLU 74 CO 0.00 0.15 -0.54 1.25 -1.00 0.00 0.00 179.01 178.87 2h3i h LEU 75 N 0.00 0.00 -0.20 1.33 5.85 -1.53 -3.30 115.31 117.46 2h3i h LEU 75 Ca -0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 2h3i h LEU 75 Cb 0.35 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.39 2h3i h LEU 75 CO 0.02 0.02 -0.90 0.03 -0.34 0.00 0.00 178.44 177.27 2h3i h ARG 76 N 0.00 0.48 0.00 1.25 3.08 -1.34 -2.59 114.38 115.26 2h3i h ARG 76 Ca -0.00 -0.48 -0.05 0.00 0.07 0.00 0.00 59.98 59.52 2h3i h ARG 76 Cb 1.02 0.13 -0.01 0.00 0.08 0.00 0.00 29.97 31.19 2h3i h ARG 76 CO 0.00 1.12 -0.25 0.77 -1.07 0.00 0.00 179.97 180.54 2h3i h SER 77 N 0.29 0.00 0.01 7.04 0.02 -1.59 -2.77 113.55 116.55 2h3i h SER 77 Ca -0.07 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.88 2h3i h SER 77 Cb 1.53 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.07 2h3i h SER 77 CO 0.16 0.25 -0.01 -0.07 -1.14 0.00 0.00 176.83 176.03 2h3i h LEU 78 N 0.00 -0.01 -0.86 5.07 4.07 -1.62 -3.18 115.31 118.77 2h3i h LEU 78 Ca -0.00 0.00 0.22 0.00 0.08 0.00 0.00 57.88 58.18 2h3i h LEU 78 Cb 0.71 0.00 -0.14 0.00 1.08 0.00 0.00 40.66 42.31 2h3i h LEU 78 CO 0.03 0.33 0.20 0.22 -1.08 0.00 0.00 178.44 178.15 2h3i h TYR 79 N -0.70 0.29 0.14 1.13 3.20 -1.55 0.28 116.97 119.76 2h3i h TYR 79 Ca -0.00 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.92 2h3i h TYR 79 Cb 0.01 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 2h3i h TYR 79 CO 0.00 -0.21 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.24 2h3i h ASN 80 N 0.20 -0.45 0.18 -2.11 4.21 -1.64 0.12 115.58 116.09 2h3i h ASN 80 Ca 0.53 0.04 0.01 0.00 1.21 0.00 0.00 56.30 58.09 2h3i h ASN 80 Cb 1.05 0.15 -0.03 0.00 -1.12 0.00 0.00 38.32 38.37 2h3i h ASN 80 CO -0.66 -0.21 -0.32 0.74 -1.29 0.00 0.00 177.43 175.69 2h3i h THR 81 N -0.31 0.32 -0.88 2.81 2.02 -1.36 -2.14 112.91 113.37 2h3i h THR 81 Ca -0.02 0.00 0.23 0.00 0.77 0.00 0.00 66.41 67.39 2h3i h THR 81 Cb 0.27 0.32 -0.13 0.00 -1.74 0.00 0.00 68.15 66.86 2h3i h THR 81 CO -0.03 0.00 0.30 0.40 0.37 0.00 0.00 175.52 176.56 2h3i h ILE 82 N -0.58 0.38 -0.30 3.11 2.04 -0.46 0.90 117.51 122.59 2h3i h ILE 82 Ca 0.02 -0.10 0.05 0.00 1.00 0.00 0.00 64.86 65.83 2h3i h ILE 82 Cb 0.59 0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.70 2h3i h ILE 82 CO -0.15 0.05 0.03 0.00 0.00 0.00 0.00 178.15 178.07 2h3i h ALA 83 N 1.75 0.29 -0.82 1.87 0.00 -0.09 -1.57 119.26 120.69 2h3i h ALA 83 Ca 0.56 0.07 0.10 0.00 0.00 0.00 0.00 54.91 55.64 2h3i h ALA 83 Cb 1.11 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 18.94 2h3i h ALA 83 CO -0.60 -0.38 0.47 0.28 0.00 0.00 0.00 179.25 179.01 2h3i h VAL 84 N 0.12 0.90 0.53 0.00 2.07 -0.53 -2.56 116.25 116.79 2h3i h VAL 84 Ca 0.14 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.37 2h3i h VAL 84 Cb 0.18 0.05 0.01 0.00 -1.52 0.00 0.00 31.29 30.01 2h3i h VAL 84 CO -0.22 0.14 -0.26 0.25 0.02 0.00 0.00 177.57 177.51 2h3i h LEU 85 N 0.78 -0.61 -0.80 2.57 5.85 -0.90 -1.25 115.31 120.96 2h3i h LEU 85 Ca 0.40 -0.01 0.15 0.00 0.84 0.00 0.00 57.88 59.26 2h3i h LEU 85 Cb 0.37 0.16 -0.15 0.00 0.37 0.00 0.00 40.66 41.41 2h3i h LEU 85 CO -0.25 -0.38 -0.24 0.22 -0.34 0.00 0.00 178.44 177.45 2h3i h TYR 86 N -0.79 -0.56 -0.70 1.25 3.20 -0.95 0.32 116.97 118.74 2h3i h TYR 86 Ca -0.07 0.08 -0.04 0.00 3.14 0.00 0.00 58.73 61.83 2h3i h TYR 86 Cb 0.58 0.37 -0.03 0.00 1.54 0.00 0.00 36.73 39.19 2h3i h TYR 86 CO -0.02 -0.36 0.27 0.00 -1.64 0.00 0.00 178.16 176.40 2h3i h VAL 88 N 1.01 0.74 0.10 0.00 2.07 0.85 0.12 116.25 121.14 2h3i h VAL 88 Ca 0.23 -0.09 -0.29 0.00 0.82 0.00 0.00 66.70 67.38 2h3i h VAL 88 Cb 0.23 0.46 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 2h3i h VAL 88 CO -0.02 0.05 -1.41 0.45 0.02 0.00 0.00 177.57 176.66 2h3i h HIS 89 N 0.26 0.39 0.00 1.57 -0.00 -0.81 -3.28 115.15 113.27 2h3i h HIS 89 Ca 0.35 -0.28 0.00 0.00 -0.00 0.00 0.00 60.37 60.44 2h3i h HIS 89 Cb 1.02 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.41 2h3i h HIS 89 CO -0.00 1.29 0.00 0.94 -0.00 0.00 0.00 177.93 180.16 2h3i n GLN 90 N -3.44 0.94 0.00 2.45 0.00 -0.33 -4.76 117.38 112.24 2h3i n GLN 90 Ca -0.12 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.88 2h3i n GLN 90 Cb 1.03 -1.35 0.00 0.00 0.00 0.00 0.00 30.24 29.92 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2h3i n ARG 91 N 0.17 0.00 -2.07 3.69 0.63 -1.13 -4.98 116.66 112.96 2h3i n ARG 91 Ca 0.00 0.00 -0.41 0.00 -0.92 0.00 0.00 57.85 56.52 2h3i n ARG 91 Cb 0.30 -1.06 -0.02 0.00 0.45 0.00 0.00 32.46 32.13 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3i s ILE 92 N -1.45 2.62 -0.35 5.15 1.01 0.27 -4.93 121.20 123.52 2h3i s ILE 92 Ca 0.00 0.61 0.14 0.00 0.00 0.00 0.00 60.65 61.40 2h3i s ILE 92 Cb 0.00 -3.39 0.45 0.00 0.01 0.00 0.00 42.46 39.54 2h3i s ILE 92 CO 0.00 0.14 1.04 -0.67 0.00 0.00 0.00 174.94 175.45 2h3i n ASP 93 N 0.66 2.73 -3.44 3.58 2.03 -1.26 -2.62 116.55 118.23 2h3i n ASP 93 Ca 0.01 -3.01 -0.47 0.00 0.52 0.00 0.00 54.79 51.83 2h3i n ASP 93 Cb 0.42 -0.49 -0.07 0.00 -0.72 0.00 0.00 41.12 40.26 2h3i n ASP 93 CO 0.00 0.00 0.00 1.33 -1.92 0.00 0.00 177.20 176.61 2h3i n VAL 94 N -0.31 0.00 0.91 5.18 0.24 -1.26 -4.73 118.33 118.36 2h3i n VAL 94 Ca 0.21 0.00 0.08 0.00 -2.04 0.00 0.00 64.34 62.59 2h3i n VAL 94 Cb 0.78 -0.20 0.45 0.00 -1.47 0.00 0.00 33.84 33.40 2h3i n VAL 94 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 2h3i n LYS 95 N 2.13 0.39 -3.47 7.34 5.02 -1.26 -4.46 118.16 123.85 2h3i n LYS 95 Ca 0.19 0.06 -0.12 0.00 -2.02 0.00 0.00 58.31 56.42 2h3i n LYS 95 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 35.03 33.48 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 2h3i s ASP 96 N -2.24 -0.51 0.00 4.39 1.47 -1.26 -2.34 116.67 116.18 2h3i s ASP 96 Ca 0.21 0.13 0.15 0.00 1.18 0.00 0.00 52.55 54.22 2h3i s ASP 96 Cb 0.11 0.50 0.90 0.00 -0.34 0.00 0.00 42.92 44.09 2h3i s ASP 96 CO 0.21 -0.77 1.32 0.41 0.68 0.00 0.00 175.17 177.03 2h3i n THR 97 N -0.07 0.00 -0.06 2.11 -1.04 -1.19 -3.28 114.28 110.74 2h3i n THR 97 Ca -0.14 0.00 -0.03 0.00 -2.04 0.00 0.00 64.05 61.84 2h3i n THR 97 Cb 0.62 -0.65 -0.02 0.00 -1.82 0.00 0.00 70.33 68.47 2h3i n THR 97 CO 0.00 0.00 0.00 0.50 -0.64 0.00 0.00 175.07 174.93 2h3i h LYS 98 N 0.00 0.00 0.00 -2.82 1.63 -1.84 -2.86 116.57 110.68 2h3i h LYS 98 Ca 0.00 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.80 2h3i h LYS 98 Cb 0.00 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 31.63 2h3i h LYS 98 CO 0.00 0.10 0.00 0.39 -3.45 0.00 0.00 179.45 176.49 2h3i n GLU 99 N -4.71 0.10 -0.02 1.90 -0.58 -1.21 -2.04 120.64 114.08 2h3i n GLU 99 Ca -0.04 0.43 -0.21 0.00 -0.42 0.00 0.00 57.16 56.93 2h3i n GLU 99 Cb 0.12 -1.72 -0.13 0.00 -0.57 0.00 0.00 31.44 29.14 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h3i h ALA 100 N 2.23 0.20 -0.23 0.62 0.00 -1.67 -2.72 119.26 117.69 2h3i h ALA 100 Ca 0.00 -1.10 -0.11 0.00 0.00 0.00 0.00 54.91 53.71 2h3i h ALA 100 Cb 0.20 0.51 -0.01 0.00 0.00 0.00 0.00 17.79 18.49 2h3i h ALA 100 CO 0.00 0.79 -0.31 1.25 0.00 0.00 0.00 179.25 180.98 2h3i h LEU 101 N -0.43 0.48 0.01 0.00 7.12 -1.24 -2.94 115.31 118.31 2h3i h LEU 101 Ca -0.30 -0.18 -0.19 0.00 0.13 0.00 0.00 57.88 57.34 2h3i h LEU 101 Cb 1.66 -0.13 0.02 0.00 -0.53 0.00 0.00 40.66 41.67 2h3i h LEU 101 CO 0.01 0.77 -0.75 0.44 -0.13 0.00 0.00 178.44 178.78 2h3i h ASP 102 N 0.41 0.63 -0.21 1.25 3.32 -1.57 -2.05 116.42 118.21 2h3i h ASP 102 Ca 0.05 -0.77 0.06 0.00 0.02 0.00 0.00 57.03 56.39 2h3i h ASP 102 Cb 0.75 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.09 2h3i h ASP 102 CO 0.06 1.32 0.24 0.11 -1.72 0.00 0.00 179.24 179.26 2h3i h LYS 103 N 0.01 0.00 0.07 3.56 1.79 -1.43 0.16 116.57 120.73 2h3i h LYS 103 Ca -0.10 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.02 2h3i h LYS 103 Cb 1.45 0.00 -0.04 0.00 -1.58 0.00 0.00 32.23 32.07 2h3i h LYS 103 CO 0.15 0.00 -2.00 -0.89 -1.08 0.00 0.00 179.45 175.63 2h3i n ILE 104 N -3.73 1.68 0.11 1.86 5.41 -1.12 -3.67 119.36 119.90 2h3i n ILE 104 Ca 0.02 -0.70 0.01 0.00 1.00 0.00 0.00 62.75 63.08 2h3i n ILE 104 Cb 0.37 -1.42 0.33 0.00 -0.71 0.00 0.00 39.64 38.21 2h3i n ILE 104 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 2h3i h GLU 105 N 0.04 0.24 -0.14 0.38 5.08 -0.49 -2.72 114.58 116.97 2h3i h GLU 105 Ca -0.41 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 57.78 2h3i h GLU 105 Cb 2.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 31.25 2h3i h GLU 105 CO 0.06 0.46 -0.27 0.93 -1.00 0.00 0.00 179.01 179.19 2h3i h GLU 106 N 0.22 0.43 -0.09 2.33 4.39 -1.18 -0.26 114.58 120.42 2h3i h GLU 106 Ca 0.04 -0.27 0.02 0.00 0.34 0.00 0.00 59.36 59.49 2h3i h GLU 106 Cb 0.52 0.03 -0.00 0.00 -0.10 0.00 0.00 28.75 29.20 2h3i h GLU 106 CO 0.04 0.87 0.06 1.49 -1.16 0.00 0.00 179.01 180.31 2h3i h GLU 107 N 0.03 0.02 -0.30 2.33 4.22 -1.60 -1.24 114.58 118.05 2h3i h GLU 107 Ca 0.01 -0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.35 2h3i h GLU 107 Cb 0.85 -0.01 -0.05 0.00 0.50 0.00 0.00 28.75 30.04 2h3i h GLU 107 CO 0.06 0.02 -0.03 1.04 -2.18 0.00 0.00 179.01 177.92 2h3i n GLN 108 N -4.52 2.29 -0.00 1.92 1.13 -1.04 -4.62 117.38 112.55 2h3i n GLN 108 Ca -0.01 -2.99 -0.13 0.00 -1.94 0.00 0.00 57.00 51.93 2h3i n GLN 108 Cb 0.16 -1.81 -0.02 0.00 0.11 0.00 0.00 30.24 28.68 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 -1.44 0.00 0.00 177.06 174.65 2h3i h ASN 109 N 1.29 0.75 -0.58 1.08 -0.00 0.23 -3.16 115.58 115.20 2h3i h ASN 109 Ca 0.11 -0.47 -0.01 0.00 -0.00 0.00 0.00 56.30 55.93 2h3i h ASN 109 Cb 1.54 -0.22 -0.03 0.00 -0.00 0.00 0.00 38.32 39.61 2h3i h ASN 109 CO 0.30 1.24 0.32 0.50 -0.00 0.00 0.00 177.43 179.78 2h3i h LYS 110 N 0.46 0.84 -0.53 6.67 3.64 -1.82 -1.95 116.57 123.87 2h3i h LYS 110 Ca -0.03 -0.09 0.09 0.00 -1.27 0.00 0.00 60.65 59.35 2h3i h LYS 110 Cb 1.30 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.92 2h3i h LYS 110 CO 0.14 0.63 0.36 1.03 -2.27 0.00 0.00 179.45 179.34 2h3i h SER 111 N 0.84 0.30 -0.28 4.20 0.87 -1.88 -1.16 113.55 116.45 2h3i h SER 111 Ca 0.21 0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.60 2h3i h SER 111 Cb 0.05 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 61.95 2h3i h SER 111 CO -0.03 0.19 -0.52 0.50 -0.53 0.00 0.00 176.83 176.43 2h3i h LYS 112 N 0.34 0.87 -0.36 2.24 3.64 -1.44 -2.98 116.57 118.87 2h3i h LYS 112 Ca 0.25 -0.54 0.11 0.00 -1.27 0.00 0.00 60.65 59.19 2h3i h LYS 112 Cb 0.52 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.38 2h3i h LYS 112 CO -0.06 1.18 0.31 -0.22 -2.27 0.00 0.00 179.45 178.39 2h3i h LYS 113 N 0.67 0.00 -0.94 1.90 3.64 -1.13 0.21 116.57 120.92 2h3i h LYS 113 Ca 0.02 0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 58.96 2h3i h LYS 113 Cb 1.13 0.00 -0.26 0.00 -0.41 0.00 0.00 32.23 32.68 2h3i h LYS 113 CO 0.12 0.00 0.56 1.63 -2.27 0.00 0.00 179.45 179.49 2h3i n LYS 114 N -4.09 2.59 -0.66 1.90 5.02 -1.13 -4.30 118.16 117.50 2h3i n LYS 114 Ca 0.06 -2.99 0.00 0.00 -2.02 0.00 0.00 58.31 53.36 2h3i n LYS 114 Cb 0.49 -2.18 0.21 0.00 -0.02 0.00 0.00 35.03 33.52 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 2h3i n ALA 115 N -0.89 3.83 -0.10 7.82 0.00 0.75 -4.70 120.51 127.21 2h3i n ALA 115 Ca 0.55 -2.95 0.11 0.00 0.00 0.00 0.00 53.44 51.15 2h3i n ALA 115 Cb 1.60 -0.67 0.47 0.00 0.00 0.00 0.00 19.45 20.85 2h3i n ALA 115 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 2h3i h GLN 116 N 1.08 0.47 -0.61 0.00 4.15 -1.76 -0.28 115.11 118.16 2h3i h GLN 116 Ca 0.14 -0.03 0.18 0.00 0.77 0.00 0.00 58.65 59.71 2h3i h GLN 116 Cb 1.51 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 29.07 2h3i h GLN 116 CO 0.29 0.31 0.45 1.96 -1.93 0.00 0.00 178.83 179.91 2h3i h GLN 117 N 0.49 0.00 0.05 1.69 4.20 -1.96 -2.10 115.11 117.47 2h3i h GLN 117 Ca 0.28 0.00 -0.27 0.00 0.06 0.00 0.00 58.65 58.72 2h3i h GLN 117 Cb 0.47 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.22 2h3i h GLN 117 CO -0.08 0.00 -1.45 0.00 -0.67 0.00 0.00 178.83 176.63 2h3i h ALA 118 N 1.68 0.29 -0.53 3.87 0.00 -1.44 -3.39 119.26 119.73 2h3i h ALA 118 Ca 0.29 -1.22 -0.56 0.00 0.00 0.00 0.00 54.91 53.42 2h3i h ALA 118 Cb 1.19 0.67 -0.15 0.00 0.00 0.00 0.00 17.79 19.49 2h3i h ALA 118 CO -0.00 0.87 1.00 0.00 0.00 0.00 0.00 179.25 181.12 2h3i n ALA 119 N -3.20 6.58 0.00 0.00 0.00 -0.83 -4.01 120.51 119.04 2h3i n ALA 119 Ca -0.30 -3.30 0.00 0.00 0.00 0.00 0.00 53.44 49.84 2h3i n ALA 119 Cb 0.81 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.90 2h3i n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 120 N 1.25 2.39 -3.19 0.00 0.00 -0.95 -4.87 120.51 115.14 2h3i n ALA 120 Ca 0.53 0.00 -0.45 0.00 0.00 0.00 0.00 53.44 53.52 2h3i n ALA 120 Cb 0.48 0.09 -0.01 0.00 0.00 0.00 0.00 19.45 20.00 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2h3i s ASP 121 N -3.88 6.91 -0.03 0.00 1.11 -1.26 -4.97 116.67 114.55 2h3i s ASP 121 Ca 0.00 -2.79 -0.30 0.00 0.18 0.00 0.00 52.55 49.64 2h3i s ASP 121 Cb 0.00 -2.28 0.07 0.00 1.07 0.00 0.00 42.92 41.79 2h3i s ASP 121 CO 0.00 -0.64 0.70 -0.89 1.18 0.00 0.00 175.17 175.51 2h3i s THR 122 N 0.60 0.00 -1.16 -1.27 2.01 -1.26 -5.06 115.64 109.51 2h3i s THR 122 Ca 0.28 0.00 -0.07 0.00 0.31 0.00 0.00 61.69 62.20 2h3i s THR 122 Cb -0.08 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.40 2h3i s THR 122 CO -0.08 0.00 2.87 0.61 -0.69 0.00 0.00 174.62 177.33 2h3i n GLY 123 N 0.72 4.38 3.70 4.40 0.00 -1.26 -4.95 105.19 112.18 2h3i n GLY 123 Ca -0.18 -1.67 -0.30 0.00 0.00 0.00 0.00 46.02 43.87 2h3i n GLY 123 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2h3i s ASN 124 N 1.38 1.46 -0.02 1.61 4.22 -1.26 -5.08 114.94 117.24 2h3i s ASN 124 Ca 0.63 0.44 0.02 0.00 -2.14 0.00 0.00 52.86 51.81 2h3i s ASN 124 Cb 0.22 -0.56 0.00 0.00 1.28 0.00 0.00 41.25 42.20 2h3i s ASN 124 CO -0.08 -3.77 -0.08 0.21 -2.04 0.00 0.00 177.10 171.34 2h3i s ASN 125 N -4.29 1.10 -0.04 3.54 2.47 -1.26 -5.13 114.94 111.33 2h3i s ASN 125 Ca 0.73 -0.17 -0.02 0.00 0.42 0.00 0.00 52.86 53.83 2h3i s ASN 125 Cb -0.07 -0.30 0.03 0.00 -1.45 0.00 0.00 41.25 39.47 2h3i s ASN 125 CO 0.55 0.05 0.05 -0.55 -3.72 0.00 0.00 177.10 173.48 2h3i s SER 126 N 0.22 1.02 -0.30 -4.21 0.15 -1.26 -5.12 113.70 104.20 2h3i s SER 126 Ca -0.03 0.05 -0.16 0.00 0.70 0.00 0.00 55.95 56.51 2h3i s SER 126 Cb -0.08 -0.17 0.18 0.00 -1.71 0.00 0.00 66.02 64.24 2h3i s SER 126 CO 0.00 -0.22 1.10 -1.58 1.20 0.00 0.00 173.24 173.74 2h3i s GLN 127 N 1.96 0.20 -0.18 5.44 0.74 -1.26 -5.18 119.66 121.38 2h3i s GLN 127 Ca 0.03 0.49 -0.28 0.00 0.05 0.00 0.00 55.36 55.65 2h3i s GLN 127 Cb -0.12 0.29 0.09 0.00 1.10 0.00 0.00 33.01 34.37 2h3i s GLN 127 CO -0.03 -0.07 0.81 0.54 -0.55 0.00 0.00 175.29 175.98 2h3i s VAL 128 N 2.33 0.00 0.07 1.34 0.11 -1.26 -5.17 120.40 117.81 2h3i s VAL 128 Ca -0.01 0.00 0.02 0.00 -2.93 0.00 0.00 61.98 59.06 2h3i s VAL 128 Cb -0.04 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.77 2h3i s VAL 128 CO -0.17 0.00 0.10 -0.94 -3.33 0.00 0.00 175.10 170.76 2h3i s SER 129 N -0.43 5.67 -0.66 3.54 1.04 -1.26 -5.06 113.70 116.55 2h3i s SER 129 Ca -0.03 0.05 -0.28 0.00 0.48 0.00 0.00 55.95 56.17 2h3i s SER 129 Cb -0.03 -1.57 0.03 0.00 0.10 0.00 0.00 66.02 64.55 2h3i s SER 129 CO 0.03 0.18 1.26 -1.10 0.98 0.00 0.00 173.24 174.59 2h3i s GLN 130 N -2.35 3.33 -0.18 4.02 -0.21 -1.26 -5.00 119.66 118.01 2h3i s GLN 130 Ca 0.30 0.03 -0.05 0.00 0.02 0.00 0.00 55.36 55.65 2h3i s GLN 130 Cb -0.12 -4.11 -0.03 0.00 1.00 0.00 0.00 33.01 29.75 2h3i s GLN 130 CO 0.22 -1.95 0.00 1.21 -2.12 0.00 0.00 175.29 172.66 2h3i s ASN 131 N 3.51 5.02 0.00 5.90 2.47 -1.26 -5.39 114.94 125.19 2h3i s ASN 131 Ca 0.40 -0.10 0.00 0.00 0.42 0.00 0.00 52.86 53.58 2h3i s ASN 131 Cb -0.08 -1.84 0.00 0.00 -1.45 0.00 0.00 41.25 37.88 2h3i s ASN 131 CO 0.20 0.13 0.16 0.00 -3.72 0.00 0.00 177.10 173.88