#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i s ALA 3 N 0.00 -1.23 0.23 4.61 0.00 -1.26 -5.13 121.76 118.97 2h3i s ALA 3 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 51.96 51.64 2h3i s ALA 3 Cb 0.00 -2.28 0.00 0.00 0.00 0.00 0.00 23.12 20.84 2h3i s ALA 3 CO 0.00 -2.08 0.00 -2.13 0.00 0.00 0.00 175.76 171.55 2h3i n ARG 4 N 4.56 -1.99 -4.32 0.00 3.00 -1.26 -4.86 116.66 111.79 2h3i n ARG 4 Ca 0.09 1.31 -0.31 0.00 -0.00 0.00 0.00 57.85 58.94 2h3i n ARG 4 Cb 0.50 -2.43 -0.10 0.00 0.00 0.00 0.00 32.46 30.43 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2h3i s ALA 5 N -2.11 3.03 0.00 5.13 0.00 -1.26 -4.98 121.76 121.57 2h3i s ALA 5 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 51.96 50.83 2h3i s ALA 5 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 23.12 22.08 2h3i s ALA 5 CO 0.00 0.64 0.00 -1.13 0.00 0.00 0.00 175.76 175.27 2h3i n SER 6 N 1.05 0.00 -0.07 0.00 3.41 -1.26 -5.03 113.62 111.72 2h3i n SER 6 Ca -0.14 0.00 -0.16 0.00 -0.26 0.00 0.00 58.87 58.32 2h3i n SER 6 Cb 0.52 0.00 -0.05 0.00 -0.26 0.00 0.00 64.21 64.42 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 2h3i n VAL 7 N 0.00 0.82 -2.45 -3.33 0.31 -1.26 -5.02 118.33 107.40 2h3i n VAL 7 Ca 0.00 -0.22 -0.32 0.00 -0.01 0.00 0.00 64.34 63.79 2h3i n VAL 7 Cb 0.00 -1.64 -0.04 0.00 -0.91 0.00 0.00 33.84 31.25 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 -6.73 3.68 0.00 7.52 1.43 -1.26 -4.93 118.68 118.39 2h3i s LEU 8 Ca -0.21 1.65 0.00 0.00 -1.03 0.00 0.00 54.13 54.54 2h3i s LEU 8 Cb 0.08 -4.52 0.00 0.00 0.03 0.00 0.00 46.19 41.78 2h3i s LEU 8 CO 0.27 -0.63 0.00 -1.20 0.23 0.00 0.00 176.35 175.02 2h3i n SER 9 N -1.41 -0.05 -0.09 2.29 7.64 -1.26 -4.90 113.62 115.85 2h3i n SER 9 Ca 0.07 -0.80 -0.13 0.00 1.01 0.00 0.00 58.87 59.02 2h3i n SER 9 Cb 0.54 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.67 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2h3i h GLY 10 N -0.02 0.00 2.00 0.23 0.00 -1.99 -3.03 103.07 100.26 2h3i h GLY 10 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.32 2h3i h GLY 10 CO 0.00 0.00 -0.05 -1.33 0.00 0.00 0.00 176.54 175.16 2h3i h GLY 11 N -1.00 0.00 0.66 4.60 0.00 -2.01 -2.85 103.07 102.47 2h3i h GLY 11 Ca -0.16 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 46.89 2h3i h GLY 11 CO -0.10 0.00 -1.40 0.83 0.00 0.00 0.00 176.54 175.87 2h3i h GLU 12 N 0.00 0.29 -0.70 4.80 3.07 -1.92 -3.26 114.58 116.86 2h3i h GLU 12 Ca -0.00 -0.49 0.14 0.00 -0.50 0.00 0.00 59.36 58.51 2h3i h GLU 12 Cb 0.26 0.18 -0.10 0.00 -0.84 0.00 0.00 28.75 28.26 2h3i h GLU 12 CO 0.01 1.23 0.20 1.25 -1.40 0.00 0.00 179.01 180.30 2h3i h LEU 13 N -0.23 0.08 -0.48 1.33 7.12 -1.37 0.29 115.31 122.05 2h3i h LEU 13 Ca -0.29 0.13 -0.03 0.00 0.13 0.00 0.00 57.88 57.81 2h3i h LEU 13 Cb 1.82 0.16 -0.02 0.00 -0.53 0.00 0.00 40.66 42.08 2h3i h LEU 13 CO 0.10 0.01 0.17 -0.78 -0.13 0.00 0.00 178.44 177.81 2h3i h ASP 14 N 0.31 0.68 0.00 1.25 3.58 -1.68 -2.61 116.42 117.96 2h3i h ASP 14 Ca 0.39 -0.19 -0.06 0.00 0.42 0.00 0.00 57.03 57.59 2h3i h ASP 14 Cb 0.62 -0.18 -0.01 0.00 1.72 0.00 0.00 39.33 41.48 2h3i h ASP 14 CO -0.45 0.69 -0.16 0.11 -2.88 0.00 0.00 179.24 176.55 2h3i h LYS 15 N 0.64 0.31 -0.04 0.28 1.57 -1.16 -1.77 116.57 116.40 2h3i h LYS 15 Ca 0.16 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.86 2h3i h LYS 15 Cb 0.23 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.50 2h3i h LYS 15 CO -0.01 0.47 0.03 2.35 -0.57 0.00 0.00 179.45 181.72 2h3i h TRP 16 N 0.29 0.05 0.00 -1.35 2.91 -0.12 -1.97 115.95 115.76 2h3i h TRP 16 Ca 0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.08 2h3i h TRP 16 Cb 0.46 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 29.09 2h3i h TRP 16 CO 0.01 0.03 0.00 0.39 -1.03 0.00 0.00 178.44 177.84 2h3i n GLU 17 N -5.06 0.22 0.04 2.65 1.02 -1.10 -3.92 120.64 114.49 2h3i n GLU 17 Ca -0.06 0.29 -0.02 0.00 -0.02 0.00 0.00 57.16 57.35 2h3i n GLU 17 Cb 0.03 -1.82 -0.01 0.00 -0.02 0.00 0.00 31.44 29.63 2h3i n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2h3i h LYS 18 N 0.00 -0.10 -6.19 3.49 1.63 -0.53 -3.26 116.57 111.61 2h3i h LYS 18 Ca 0.00 0.01 -0.59 0.00 -0.85 0.00 0.00 60.65 59.22 2h3i h LYS 18 Cb 0.57 0.02 0.19 0.00 -0.60 0.00 0.00 32.23 32.41 2h3i h LYS 18 CO 0.00 -0.07 -0.99 -0.89 -3.45 0.00 0.00 179.45 174.05 2h3i n ILE 19 N -2.34 0.68 -1.73 2.00 5.41 -1.15 -4.69 119.36 117.55 2h3i n ILE 19 Ca -0.01 -0.49 -0.00 0.00 1.00 0.00 0.00 62.75 63.25 2h3i n ILE 19 Cb 0.04 -0.23 0.00 0.00 -0.71 0.00 0.00 39.64 38.74 2h3i n ILE 19 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2h3i n ARG 20 N 1.02 0.36 -0.08 0.38 1.74 0.10 -2.46 116.66 117.71 2h3i n ARG 20 Ca 0.08 -0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 57.02 2h3i n ARG 20 Cb 0.49 -0.00 -0.07 0.00 -1.02 0.00 0.00 32.46 31.85 2h3i n ARG 20 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2h3i n LEU 21 N 0.00 2.48 -4.76 0.55 4.77 0.22 -4.01 117.00 116.25 2h3i n LEU 21 Ca 0.00 -0.00 -0.24 0.00 -0.03 0.00 0.00 56.01 55.74 2h3i n LEU 21 Cb 0.00 -0.56 -0.07 0.00 -2.33 0.00 0.00 43.42 40.46 2h3i n LEU 21 CO 0.00 0.66 -0.14 -0.13 -1.33 0.00 0.00 177.39 176.45 2h3i s ARG 22 N -2.33 2.30 -0.02 3.23 0.52 -1.26 -4.23 118.95 117.16 2h3i s ARG 22 Ca -0.23 -1.74 -0.26 0.00 -0.52 0.00 0.00 55.73 52.98 2h3i s ARG 22 Cb 0.07 -2.08 -0.20 0.00 0.52 0.00 0.00 34.95 33.26 2h3i s ARG 22 CO 0.36 -0.09 1.26 -1.00 0.02 0.00 0.00 175.30 175.85 2h3i h PRO 23 N 1.39 -0.02 -1.17 3.54 0.13 -1.96 -3.34 132.00 130.58 2h3i h PRO 23 Ca -0.43 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.09 2h3i h PRO 23 Cb 1.25 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 32.01 2h3i h PRO 23 CO 0.67 0.46 -0.22 0.41 -0.23 0.00 0.00 178.00 179.10 2h3i n GLY 24 N 0.22 6.08 0.00 1.56 0.00 -1.26 -4.85 105.19 106.94 2h3i n GLY 24 Ca -0.08 -2.60 0.00 0.00 0.00 0.00 0.00 46.02 43.33 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 -0.67 6.04 0.00 -0.02 0.00 -1.25 -5.07 105.19 104.22 2h3i n GLY 25 Ca 0.48 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.38 2h3i n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3i n LYS 26 N 0.00 0.29 -2.77 1.61 4.81 -1.26 -4.93 118.16 115.91 2h3i n LYS 26 Ca 0.00 -0.48 -0.39 0.00 -0.87 0.00 0.00 58.31 56.57 2h3i n LYS 26 Cb 0.00 -0.66 -0.06 0.00 0.02 0.00 0.00 35.03 34.33 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2h3i s LYS 27 N -0.16 4.79 0.55 1.64 1.02 -1.26 -4.96 119.74 121.37 2h3i s LYS 27 Ca 0.00 1.44 0.04 0.00 0.02 0.00 0.00 55.97 57.46 2h3i s LYS 27 Cb 0.00 -3.19 0.03 0.00 -0.52 0.00 0.00 37.83 34.15 2h3i s LYS 27 CO 0.00 0.48 0.29 -0.65 -0.92 0.00 0.00 175.35 174.55 2h3i s GLN 28 N -1.34 2.23 0.19 1.68 1.11 -1.26 0.69 119.66 122.96 2h3i s GLN 28 Ca 0.42 -2.18 -0.07 0.00 0.01 0.00 0.00 55.36 53.54 2h3i s GLN 28 Cb -0.24 -1.91 -0.06 0.00 -1.01 0.00 0.00 33.01 29.78 2h3i s GLN 28 CO 0.30 -0.59 0.47 0.71 0.01 0.00 0.00 175.29 176.19 2h3i s TYR 29 N -2.83 3.45 0.21 0.91 2.02 -1.03 -4.61 117.35 115.47 2h3i s TYR 29 Ca 0.23 0.72 -0.08 0.00 -0.37 0.00 0.00 57.07 57.57 2h3i s TYR 29 Cb -0.02 -2.14 -0.02 0.00 -0.40 0.00 0.00 41.96 39.39 2h3i s TYR 29 CO 0.14 0.34 0.33 0.15 -1.57 0.00 0.00 175.55 174.95 2h3i s LYS 30 N -2.77 1.35 0.32 -0.62 1.02 -1.26 -4.01 119.74 113.77 2h3i s LYS 30 Ca 0.44 -1.34 0.08 0.00 0.02 0.00 0.00 55.97 55.17 2h3i s LYS 30 Cb -0.12 0.39 0.92 0.00 -0.52 0.00 0.00 37.83 38.50 2h3i s LYS 30 CO 0.23 -0.52 1.62 1.25 -0.92 0.00 0.00 175.35 177.01 2h3i h LEU 31 N 2.43 0.03 -0.91 3.17 5.85 -1.99 0.20 115.31 124.09 2h3i h LEU 31 Ca -0.30 0.23 0.27 0.00 0.84 0.00 0.00 57.88 58.92 2h3i h LEU 31 Cb 1.24 0.30 -0.17 0.00 0.37 0.00 0.00 40.66 42.40 2h3i h LEU 31 CO 0.43 -0.26 0.10 1.17 -0.34 0.00 0.00 178.44 179.54 2h3i n LYS 32 N -5.27 -0.07 -0.04 1.25 0.00 -1.26 0.93 118.16 113.70 2h3i n LYS 32 Ca 0.27 1.35 -0.16 0.00 0.00 0.00 0.00 58.31 59.77 2h3i n LYS 32 Cb 0.88 -2.19 -0.07 0.00 0.00 0.00 0.00 35.03 33.65 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2h3i h HIS 33 N 0.00 0.92 -0.20 5.64 3.86 -1.02 -0.84 115.15 123.51 2h3i h HIS 33 Ca 0.59 -0.38 0.03 0.00 -1.16 0.00 0.00 60.37 59.45 2h3i h HIS 33 Cb 1.29 -0.15 -0.01 0.00 1.06 0.00 0.00 27.41 29.60 2h3i h HIS 33 CO -0.39 1.19 0.14 0.82 0.86 0.00 0.00 177.93 180.55 2h3i h ILE 34 N 0.39 0.97 0.08 2.45 2.04 0.59 -1.89 117.51 122.13 2h3i h ILE 34 Ca -0.03 -0.04 -0.19 0.00 1.00 0.00 0.00 64.86 65.60 2h3i h ILE 34 Cb 1.23 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 38.14 2h3i h ILE 34 CO 0.13 0.02 -0.95 0.58 0.00 0.00 0.00 178.15 177.93 2h3i h VAL 35 N 0.12 1.29 -0.33 1.67 2.07 -0.98 -1.71 116.25 118.38 2h3i h VAL 35 Ca 0.09 -2.39 0.10 0.00 0.82 0.00 0.00 66.70 65.32 2h3i h VAL 35 Cb 0.20 2.89 -0.01 0.00 -1.52 0.00 0.00 31.29 32.85 2h3i h VAL 35 CO -0.01 0.62 0.33 -0.25 0.02 0.00 0.00 177.57 178.28 2h3i h TRP 36 N -0.58 0.00 0.00 1.57 7.01 -0.84 0.00 115.95 123.11 2h3i h TRP 36 Ca -0.21 0.00 -0.30 0.00 2.11 0.00 0.00 58.89 60.49 2h3i h TRP 36 Cb 1.50 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.51 2h3i h TRP 36 CO 0.17 0.00 -1.70 0.00 -2.79 0.00 0.00 178.44 174.12 2h3i n ALA 37 N -2.40 0.93 0.01 2.65 0.00 -0.74 -3.36 120.51 117.60 2h3i n ALA 37 Ca 0.05 -0.73 0.22 0.00 0.00 0.00 0.00 53.44 52.98 2h3i n ALA 37 Cb 0.49 -0.25 0.73 0.00 0.00 0.00 0.00 19.45 20.42 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 0.00 1.03 0.00 0.02 -0.98 0.48 113.55 113.09 2h3i h SER 38 Ca -0.45 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.44 2h3i h SER 38 Cb 1.37 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.90 2h3i h SER 38 CO -0.27 0.00 -1.01 0.03 -1.14 0.00 0.00 176.83 174.44 2h3i h ARG 39 N 0.00 0.00 0.08 3.45 2.47 -1.18 -3.34 114.38 115.86 2h3i h ARG 39 Ca 0.26 0.00 -0.11 0.00 -1.26 0.00 0.00 59.98 58.86 2h3i h ARG 39 Cb 1.15 0.00 0.01 0.00 -1.65 0.00 0.00 29.97 29.48 2h3i h ARG 39 CO -0.00 0.12 -0.52 1.49 0.56 0.00 0.00 179.97 181.62 2h3i h GLU 40 N 0.00 0.16 -0.56 0.04 4.57 -0.19 -3.35 114.58 115.25 2h3i h GLU 40 Ca -0.05 -0.28 0.11 0.00 -1.18 0.00 0.00 59.36 57.96 2h3i h GLU 40 Cb 1.20 0.10 -0.10 0.00 -0.16 0.00 0.00 28.75 29.80 2h3i h GLU 40 CO 0.02 1.13 -0.02 -0.07 -1.18 0.00 0.00 179.01 178.89 2h3i h LEU 41 N -0.65 -0.29 -1.93 1.64 3.38 -1.01 0.27 115.31 116.72 2h3i h LEU 41 Ca -0.10 0.14 0.28 0.00 0.09 0.00 0.00 57.88 58.29 2h3i h LEU 41 Cb 1.37 0.26 -0.04 0.00 0.09 0.00 0.00 40.66 42.33 2h3i h LEU 41 CO 0.07 -0.11 0.69 -0.08 0.09 0.00 0.00 178.44 179.11 2h3i h GLU 42 N 0.10 0.04 0.01 1.13 4.81 -1.42 0.56 114.58 119.81 2h3i h GLU 42 Ca 0.29 -0.00 -0.23 0.00 -0.13 0.00 0.00 59.36 59.29 2h3i h GLU 42 Cb 0.45 -0.01 -0.03 0.00 0.63 0.00 0.00 28.75 29.79 2h3i h GLU 42 CO -0.49 0.03 -1.14 -0.09 -0.73 0.00 0.00 179.01 176.59 2h3i h ARG 43 N 0.05 0.02 -0.97 1.92 2.43 -0.62 -3.26 114.38 113.95 2h3i h ARG 43 Ca 0.47 -0.04 -0.17 0.00 -0.81 0.00 0.00 59.98 59.44 2h3i h ARG 43 Cb 1.80 0.01 -0.10 0.00 -0.42 0.00 0.00 29.97 31.26 2h3i h ARG 43 CO -0.03 0.93 0.22 1.19 -1.51 0.00 0.00 179.97 180.77 2h3i n PHE 44 N -3.31 1.18 -1.45 2.20 3.01 0.17 -4.80 117.46 114.44 2h3i n PHE 44 Ca -0.04 -0.90 -0.16 0.00 1.01 0.00 0.00 57.45 57.37 2h3i n PHE 44 Cb 0.96 -0.48 -0.07 0.00 -0.01 0.00 0.00 39.48 39.89 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 2h3i n ALA 45 N -0.09 -0.24 -3.25 4.37 0.00 -1.06 -4.94 120.51 115.30 2h3i n ALA 45 Ca 0.22 0.25 -0.37 0.00 0.00 0.00 0.00 53.44 53.54 2h3i n ALA 45 Cb 0.91 -1.88 -0.13 0.00 0.00 0.00 0.00 19.45 18.35 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 -2.36 3.81 0.29 0.00 1.01 0.41 -4.99 120.40 118.57 2h3i s VAL 46 Ca 0.00 -0.76 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 2h3i s VAL 46 Cb 0.00 -2.98 -0.12 0.00 0.00 0.00 0.00 36.38 33.29 2h3i s VAL 46 CO 0.00 0.08 1.59 0.59 0.00 0.00 0.00 175.10 177.36 2h3i n ASN 47 N 4.84 3.83 0.00 3.32 4.13 -1.26 -1.61 115.26 128.50 2h3i n ASN 47 Ca -0.15 1.15 0.07 0.00 1.68 0.00 0.00 54.58 57.33 2h3i n ASN 47 Cb 0.48 -1.59 0.40 0.00 -1.54 0.00 0.00 39.78 37.53 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2h3i n PRO 48 N 2.16 0.31 -0.01 3.52 -0.04 -1.26 -2.53 135.00 137.14 2h3i n PRO 48 Ca 0.09 0.09 0.13 0.00 -0.04 0.00 0.00 63.50 63.77 2h3i n PRO 48 Cb 0.37 -1.50 0.66 0.00 -0.04 0.00 0.00 33.50 32.98 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 -0.03 -0.50 0.13 0.55 0.00 -1.26 -3.44 105.19 100.63 2h3i n GLY 49 Ca 0.09 -0.29 0.12 0.00 0.00 0.00 0.00 46.02 45.94 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 1.04 0.00 -0.02 0.99 3.38 -1.87 -3.21 115.31 115.62 2h3i h LEU 50 Ca 0.00 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.92 2h3i h LEU 50 Cb 0.22 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.97 2h3i h LEU 50 CO 0.00 0.03 0.00 0.18 0.09 0.00 0.00 178.44 178.74 2h3i n LEU 51 N -2.56 0.07 -2.67 1.67 4.77 -1.22 -3.34 117.00 113.73 2h3i n LEU 51 Ca 0.03 0.51 -0.37 0.00 -0.03 0.00 0.00 56.01 56.15 2h3i n LEU 51 Cb 0.49 -0.49 0.05 0.00 -2.33 0.00 0.00 43.42 41.14 2h3i n LEU 51 CO 0.35 -0.08 1.51 -1.84 -1.33 0.00 0.00 177.39 176.00 2h3i n GLU 52 N -1.57 2.69 -3.22 3.23 0.28 -1.21 -4.83 120.64 116.00 2h3i n GLU 52 Ca 0.06 -3.34 0.03 0.00 -0.16 0.00 0.00 57.16 53.76 2h3i n GLU 52 Cb 0.31 -2.25 -0.04 0.00 1.43 0.00 0.00 31.44 30.88 2h3i n GLU 52 CO 0.00 0.00 0.00 -0.08 -0.16 0.00 0.00 177.13 176.89 2h3i s THR 53 N -4.79 -0.13 0.38 3.84 -1.32 -1.23 -4.98 115.64 107.40 2h3i s THR 53 Ca 0.56 0.00 0.15 0.00 -1.21 0.00 0.00 61.69 61.19 2h3i s THR 53 Cb 0.46 -1.00 0.36 0.00 -1.51 0.00 0.00 72.50 70.81 2h3i s THR 53 CO -0.26 0.00 1.79 0.28 -2.21 0.00 0.00 174.62 174.23 2h3i h SER 54 N 7.13 0.53 1.03 8.08 0.02 -1.88 0.52 113.55 128.99 2h3i h SER 54 Ca -0.14 0.08 -0.12 0.00 -0.84 0.00 0.00 61.79 60.77 2h3i h SER 54 Cb 1.13 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 63.64 2h3i h SER 54 CO 0.07 0.16 -0.55 -0.08 -1.14 0.00 0.00 176.83 175.28 2h3i h GLU 55 N 0.50 0.00 -0.11 3.45 4.22 -1.95 -3.27 114.58 117.41 2h3i h GLU 55 Ca 0.56 0.00 0.00 0.00 0.08 0.00 0.00 59.36 60.00 2h3i h GLU 55 Cb 1.25 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 2h3i h GLU 55 CO -0.29 0.55 0.08 0.78 -2.18 0.00 0.00 179.01 177.95 2h3i h GLY 56 N 2.61 0.16 0.99 1.92 0.00 -0.12 -2.97 103.07 105.66 2h3i h GLY 56 Ca -0.01 -0.06 0.01 0.00 0.00 0.00 0.00 47.33 47.27 2h3i h GLY 56 CO 0.07 0.06 0.18 0.00 0.00 0.00 0.00 176.54 176.86 2h3i h ARG 58 N 0.38 0.21 0.19 0.00 1.12 -1.57 0.41 114.38 115.12 2h3i h ARG 58 Ca 0.11 -0.01 -0.30 0.00 -1.11 0.00 0.00 59.98 58.67 2h3i h ARG 58 Cb -0.03 -0.05 0.03 0.00 -0.01 0.00 0.00 29.97 29.91 2h3i h ARG 58 CO -0.03 0.14 -1.27 0.37 -3.11 0.00 0.00 179.97 176.06 2h3i h GLN 59 N 0.22 0.52 0.81 0.20 -0.00 -1.31 -2.91 115.11 112.63 2h3i h GLN 59 Ca 0.71 -0.82 -0.04 0.00 -0.00 0.00 0.00 58.65 58.50 2h3i h GLN 59 Cb 2.09 0.29 0.01 0.00 0.00 0.00 0.00 27.48 29.88 2h3i h GLN 59 CO -0.34 1.38 -0.39 0.82 0.00 0.00 0.00 178.83 180.31 2h3i h ILE 60 N 0.08 0.15 -0.40 2.39 2.04 0.24 -2.61 117.51 119.41 2h3i h ILE 60 Ca -0.21 -0.09 0.08 0.00 1.00 0.00 0.00 64.86 65.64 2h3i h ILE 60 Cb 1.99 0.17 -0.02 0.00 -0.74 0.00 0.00 36.82 38.21 2h3i h ILE 60 CO 0.24 0.01 0.28 -0.07 0.00 0.00 0.00 178.15 178.61 2h3i h LEU 61 N -1.16 0.16 -0.77 1.44 3.38 -0.96 -1.58 115.31 115.82 2h3i h LEU 61 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 2h3i h LEU 61 Cb 0.84 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.52 2h3i h LEU 61 CO 0.18 0.10 0.41 1.23 0.09 0.00 0.00 178.44 180.45 2h3i h GLY 62 N 0.18 1.16 1.32 0.83 0.00 -1.28 0.40 103.07 105.68 2h3i h GLY 62 Ca 0.19 -0.54 -0.14 0.00 0.00 0.00 0.00 47.33 46.83 2h3i h GLY 62 CO -0.03 0.52 -0.36 -1.61 0.00 0.00 0.00 176.54 175.06 2h3i h GLN 63 N 1.07 0.75 0.00 4.80 -0.00 -0.93 -2.97 115.11 117.84 2h3i h GLN 63 Ca 0.27 -0.37 -0.10 0.00 -0.00 0.00 0.00 58.65 58.45 2h3i h GLN 63 Cb 0.06 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 27.53 2h3i h GLN 63 CO -0.04 0.99 -0.45 -0.07 0.00 0.00 0.00 178.83 179.26 2h3i h LEU 64 N 0.62 0.00 -0.33 -2.39 3.38 -1.18 -3.33 115.31 112.08 2h3i h LEU 64 Ca 0.06 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.07 2h3i h LEU 64 Cb 0.90 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 41.57 2h3i h LEU 64 CO 0.08 0.45 -0.55 1.56 0.09 0.00 0.00 178.44 180.07 2h3i h GLN 65 N 0.00 -0.43 0.00 1.13 4.20 -0.04 0.49 115.11 120.46 2h3i h GLN 65 Ca -0.00 0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.74 2h3i h GLN 65 Cb 1.23 0.10 0.00 0.00 0.30 0.00 0.00 27.48 29.11 2h3i h GLN 65 CO 0.06 -0.29 0.00 -0.35 -0.67 0.00 0.00 178.83 177.58 2h3i n PRO 66 N -5.39 0.18 0.00 1.46 -0.04 -1.25 -1.91 135.00 128.04 2h3i n PRO 66 Ca -0.04 0.16 0.09 0.00 -0.04 0.00 0.00 63.50 63.67 2h3i n PRO 66 Cb 0.35 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.22 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 -1.32 0.91 0.32 3.54 2.88 0.12 -4.30 113.62 115.77 2h3i n SER 67 Ca 0.06 -0.96 0.21 0.00 -1.33 0.00 0.00 58.87 56.86 2h3i n SER 67 Cb 0.12 0.97 1.05 0.00 -0.75 0.00 0.00 64.21 65.60 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 0.12 0.00 -0.35 2.46 3.38 0.46 0.69 115.31 122.07 2h3i h LEU 68 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h3i h LEU 68 Cb 0.44 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 2h3i h LEU 68 CO 0.00 0.00 0.17 -0.61 0.09 0.00 0.00 178.44 178.10 2h3i h GLN 69 N 0.00 0.35 -0.47 1.13 4.15 -1.76 -3.27 115.11 115.24 2h3i h GLN 69 Ca -0.00 -0.02 -0.32 0.00 0.77 0.00 0.00 58.65 59.08 2h3i h GLN 69 Cb 0.17 -0.08 -0.38 0.00 0.21 0.00 0.00 27.48 27.39 2h3i h GLN 69 CO 0.00 0.23 -0.98 2.41 -1.93 0.00 0.00 178.83 178.57 2h3i n THR 70 N -4.94 1.63 -2.87 2.39 -1.04 -1.01 -5.07 114.28 103.37 2h3i n THR 70 Ca 0.00 -3.19 -0.41 0.00 -2.04 0.00 0.00 64.05 58.41 2h3i n THR 70 Cb 0.08 0.37 -0.04 0.00 -1.82 0.00 0.00 70.33 68.93 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3i s GLY 71 N -3.54 2.51 1.15 3.41 0.00 0.20 -5.04 107.32 106.01 2h3i s GLY 71 Ca 0.36 0.24 -0.18 0.00 0.00 0.00 0.00 44.72 45.14 2h3i s GLY 71 CO -0.03 1.55 0.65 -1.14 0.00 0.00 0.00 173.10 174.13 2h3i n SER 72 N 4.40 -3.62 0.16 1.64 3.41 -1.26 -4.34 113.62 114.00 2h3i n SER 72 Ca 0.04 -0.66 0.14 0.00 -0.26 0.00 0.00 58.87 58.13 2h3i n SER 72 Cb 0.50 -0.79 0.69 0.00 -0.26 0.00 0.00 64.21 64.35 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 0.25 4.33 4.22 -1.98 -0.65 114.58 120.75 2h3i h GLU 73 Ca -0.30 0.00 -0.01 0.00 0.08 0.00 0.00 59.36 59.13 2h3i h GLU 73 Cb 1.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.25 2h3i h GLU 73 CO 0.18 0.00 -0.12 0.93 -2.18 0.00 0.00 179.01 177.82 2h3i h GLU 74 N 0.00 -0.33 -0.47 1.92 5.08 -1.98 0.11 114.58 118.91 2h3i h GLU 74 Ca 0.11 0.02 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 2h3i h GLU 74 Cb 0.44 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.74 2h3i h GLU 74 CO -0.00 0.02 0.31 1.25 -1.00 0.00 0.00 179.01 179.60 2h3i h LEU 75 N -0.91 0.43 -0.15 1.33 6.46 -1.76 0.66 115.31 121.38 2h3i h LEU 75 Ca -0.03 -0.00 -0.23 0.00 -0.12 0.00 0.00 57.88 57.49 2h3i h LEU 75 Cb 0.50 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.33 2h3i h LEU 75 CO 0.06 0.30 -0.97 -0.09 -0.62 0.00 0.00 178.44 177.11 2h3i h ARG 76 N 0.50 0.35 -0.03 1.25 1.12 -1.15 -2.88 114.38 113.54 2h3i h ARG 76 Ca 0.19 -0.41 -0.15 0.00 -1.11 0.00 0.00 59.98 58.51 2h3i h ARG 76 Cb 0.14 0.12 -0.01 0.00 -0.01 0.00 0.00 29.97 30.21 2h3i h ARG 76 CO -0.05 1.10 -0.65 0.77 -3.11 0.00 0.00 179.97 178.03 2h3i h SER 77 N 0.19 0.16 0.34 -3.80 0.02 -0.00 -3.12 113.55 107.33 2h3i h SER 77 Ca -0.08 -0.10 -0.02 0.00 -0.84 0.00 0.00 61.79 60.76 2h3i h SER 77 Cb 1.62 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 64.12 2h3i h SER 77 CO 0.16 0.76 -0.16 -0.07 -1.14 0.00 0.00 176.83 176.38 2h3i h LEU 78 N 0.10 -0.39 -0.98 5.07 -0.00 -0.93 -2.28 115.31 115.91 2h3i h LEU 78 Ca -0.01 -0.16 0.27 0.00 -0.00 0.00 0.00 57.88 57.97 2h3i h LEU 78 Cb 1.16 0.10 -0.13 0.00 -0.00 0.00 0.00 40.66 41.78 2h3i h LEU 78 CO 0.09 0.05 0.53 0.22 -0.00 0.00 0.00 178.44 179.33 2h3i h TYR 79 N -0.93 0.89 0.00 1.13 3.20 -1.58 0.90 116.97 120.57 2h3i h TYR 79 Ca -0.05 0.04 -0.11 0.00 3.14 0.00 0.00 58.73 61.75 2h3i h TYR 79 Cb 0.52 -0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.54 2h3i h TYR 79 CO 0.03 -0.05 -0.54 -0.91 -1.64 0.00 0.00 178.16 175.05 2h3i h ASN 80 N 0.45 0.00 0.02 -2.11 2.35 -1.54 -2.30 115.58 112.45 2h3i h ASN 80 Ca 0.65 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 56.40 2h3i h ASN 80 Cb 1.34 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.71 2h3i h ASN 80 CO -0.54 0.54 -0.01 0.74 -1.65 0.00 0.00 177.43 176.52 2h3i h THR 81 N 0.00 0.00 -0.99 2.81 2.02 0.12 -3.27 112.91 113.60 2h3i h THR 81 Ca -0.01 -0.54 0.25 0.00 0.77 0.00 0.00 66.41 66.88 2h3i h THR 81 Cb 1.00 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 67.33 2h3i h THR 81 CO 0.07 0.00 0.65 0.40 0.37 0.00 0.00 175.52 177.01 2h3i h ILE 82 N -0.57 0.58 -0.27 3.11 2.04 -0.55 0.40 117.51 122.25 2h3i h ILE 82 Ca -0.00 -0.12 0.00 0.00 1.00 0.00 0.00 64.86 65.73 2h3i h ILE 82 Cb 0.02 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.28 2h3i h ILE 82 CO 0.01 0.07 0.17 0.00 0.00 0.00 0.00 178.15 178.39 2h3i h ALA 83 N 1.60 1.79 -0.24 1.87 0.00 -1.54 0.19 119.26 122.94 2h3i h ALA 83 Ca 0.54 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 55.27 2h3i h ALA 83 Cb 1.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.10 2h3i h ALA 83 CO -0.22 0.19 -0.46 0.28 0.00 0.00 0.00 179.25 179.04 2h3i h VAL 84 N 0.37 1.30 0.08 0.00 2.07 -0.24 -3.07 116.25 116.76 2h3i h VAL 84 Ca 0.10 -1.66 -0.00 0.00 0.82 0.00 0.00 66.70 65.96 2h3i h VAL 84 Cb -0.03 1.62 0.00 0.00 -1.52 0.00 0.00 31.29 31.36 2h3i h VAL 84 CO -0.02 0.52 -0.04 0.25 0.02 0.00 0.00 177.57 178.31 2h3i h LEU 85 N 0.49 -0.09 -0.88 2.57 5.85 -1.22 -2.95 115.31 119.08 2h3i h LEU 85 Ca 0.03 -0.51 0.17 0.00 0.84 0.00 0.00 57.88 58.41 2h3i h LEU 85 Cb 0.99 0.02 -0.16 0.00 0.37 0.00 0.00 40.66 41.88 2h3i h LEU 85 CO 0.09 0.58 -0.25 0.22 -0.34 0.00 0.00 178.44 178.74 2h3i h TYR 86 N -0.88 -0.58 -0.59 1.25 3.20 -1.07 0.49 116.97 118.78 2h3i h TYR 86 Ca -0.01 0.08 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 2h3i h TYR 86 Cb 0.59 0.39 -0.03 0.00 1.54 0.00 0.00 36.73 39.23 2h3i h TYR 86 CO 0.13 -0.39 0.27 0.00 -1.64 0.00 0.00 178.16 176.54 2h3i h VAL 88 N 0.80 0.75 0.08 0.00 2.07 -0.01 0.48 116.25 120.44 2h3i h VAL 88 Ca 0.20 -0.33 -0.29 0.00 0.82 0.00 0.00 66.70 67.10 2h3i h VAL 88 Cb 0.14 1.20 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2h3i h VAL 88 CO -0.02 0.08 -1.48 0.45 0.02 0.00 0.00 177.57 176.62 2h3i h HIS 89 N 0.00 0.32 -0.14 1.57 -0.00 0.00 -3.30 115.15 113.61 2h3i h HIS 89 Ca -0.00 -0.24 -0.01 0.00 -0.00 0.00 0.00 60.37 60.13 2h3i h HIS 89 Cb 0.19 -0.01 -0.00 0.00 -0.00 0.00 0.00 27.41 27.58 2h3i h HIS 89 CO 0.00 1.28 0.01 1.04 -0.00 0.00 0.00 177.93 180.26 2h3i n GLN 90 N -3.38 1.87 -2.93 2.45 1.13 -0.45 -4.82 117.38 111.25 2h3i n GLN 90 Ca -0.14 -0.73 -0.19 0.00 -1.94 0.00 0.00 57.00 54.00 2h3i n GLN 90 Cb 1.03 -1.66 0.03 0.00 0.11 0.00 0.00 30.24 29.76 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3i n ARG 91 N 0.14 -4.27 -3.62 -1.09 0.00 -1.14 -4.98 116.66 101.69 2h3i n ARG 91 Ca 0.07 0.75 -0.38 0.00 -0.00 0.00 0.00 57.85 58.29 2h3i n ARG 91 Cb 0.49 -5.29 -0.11 0.00 0.00 0.00 0.00 32.46 27.54 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.63 178.05 2h3i s ILE 92 N -3.09 4.92 -0.26 5.15 1.01 0.16 -5.02 121.20 124.07 2h3i s ILE 92 Ca 0.27 -0.16 -0.12 0.00 0.00 0.00 0.00 60.65 60.64 2h3i s ILE 92 Cb -0.12 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.88 2h3i s ILE 92 CO 0.33 0.15 0.25 -1.81 0.00 0.00 0.00 174.94 173.86 2h3i s ASP 93 N 1.68 6.13 0.42 3.58 1.01 -1.26 -3.88 116.67 124.35 2h3i s ASP 93 Ca 0.06 0.13 0.03 0.00 0.71 0.00 0.00 52.55 53.49 2h3i s ASP 93 Cb -0.16 -2.15 -0.01 0.00 1.01 0.00 0.00 42.92 41.60 2h3i s ASP 93 CO 0.08 -0.06 0.12 1.33 0.21 0.00 0.00 175.17 176.85 2h3i n VAL 94 N 4.85 0.00 -0.01 -1.27 0.24 -1.26 -5.04 118.33 115.83 2h3i n VAL 94 Ca -0.12 -2.33 -0.03 0.00 -2.04 0.00 0.00 64.34 59.82 2h3i n VAL 94 Cb 0.52 0.77 -0.01 0.00 -1.47 0.00 0.00 33.84 33.64 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 -0.96 0.18 -4.21 7.34 5.02 -1.26 -4.62 118.16 119.65 2h3i n LYS 95 Ca -0.08 0.07 -0.23 0.00 -2.02 0.00 0.00 58.31 56.05 2h3i n LYS 95 Cb 0.60 -0.75 -0.06 0.00 -0.02 0.00 0.00 35.03 34.80 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 -5.54 4.99 0.09 4.39 1.47 -1.26 0.01 116.67 120.81 2h3i s ASP 96 Ca -0.10 -0.45 -0.18 0.00 1.18 0.00 0.00 52.55 53.00 2h3i s ASP 96 Cb 0.01 -1.10 -0.04 0.00 -0.34 0.00 0.00 42.92 41.45 2h3i s ASP 96 CO 0.15 -0.00 1.30 0.74 0.68 0.00 0.00 175.17 178.04 2h3i h THR 97 N 1.79 0.00 -0.70 2.11 2.02 -1.74 -0.20 112.91 116.19 2h3i h THR 97 Ca -0.46 0.00 0.12 0.00 0.77 0.00 0.00 66.41 66.84 2h3i h THR 97 Cb 1.24 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 67.52 2h3i h THR 97 CO 0.60 0.00 -0.32 0.50 0.37 0.00 0.00 175.52 176.68 2h3i h LYS 98 N -0.05 -0.10 -1.12 6.66 1.63 -1.92 0.44 116.57 122.11 2h3i h LYS 98 Ca 0.08 0.01 0.37 0.00 -0.85 0.00 0.00 60.65 60.26 2h3i h LYS 98 Cb 0.25 0.02 -0.14 0.00 -0.60 0.00 0.00 32.23 31.77 2h3i h LYS 98 CO -0.48 -0.06 0.68 1.49 -3.45 0.00 0.00 179.45 177.63 2h3i h GLU 99 N -0.10 0.19 -0.08 1.90 4.81 -1.44 0.36 114.58 120.22 2h3i h GLU 99 Ca 0.28 -0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.44 2h3i h GLU 99 Cb 0.56 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 29.90 2h3i h GLU 99 CO -0.76 0.13 -0.19 0.00 -0.73 0.00 0.00 179.01 177.46 2h3i h ALA 100 N 1.75 0.13 0.43 2.92 0.00 0.32 -2.83 119.26 121.97 2h3i h ALA 100 Ca 0.77 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 55.30 2h3i h ALA 100 Cb 2.08 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.82 2h3i h ALA 100 CO -0.53 0.07 -0.45 -0.07 0.00 0.00 0.00 179.25 178.28 2h3i h LEU 101 N -0.21 -1.22 -0.87 0.00 3.38 0.24 -2.28 115.31 114.35 2h3i h LEU 101 Ca -0.00 0.10 0.18 0.00 0.09 0.00 0.00 57.88 58.25 2h3i h LEU 101 Cb 0.78 0.41 -0.11 0.00 0.09 0.00 0.00 40.66 41.84 2h3i h LEU 101 CO 0.04 -0.60 0.42 0.44 0.09 0.00 0.00 178.44 178.84 2h3i h ASP 102 N -0.89 0.45 -0.61 -0.43 3.32 -1.26 0.28 116.42 117.28 2h3i h ASP 102 Ca -0.04 0.12 0.12 0.00 0.02 0.00 0.00 57.03 57.25 2h3i h ASP 102 Cb 0.79 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 40.36 2h3i h ASP 102 CO -0.08 0.13 0.41 0.50 -1.72 0.00 0.00 179.24 178.49 2h3i h LYS 103 N 0.53 0.30 -0.40 3.56 1.63 -1.16 -0.46 116.57 120.58 2h3i h LYS 103 Ca 0.51 -0.02 -0.14 0.00 -0.85 0.00 0.00 60.65 60.15 2h3i h LYS 103 Cb 0.83 -0.07 -0.01 0.00 -0.60 0.00 0.00 32.23 32.38 2h3i h LYS 103 CO -0.43 0.20 -0.30 0.82 -3.45 0.00 0.00 179.45 176.29 2h3i h ILE 104 N 0.31 1.27 -0.18 2.00 2.04 -0.03 -3.08 117.51 119.84 2h3i h ILE 104 Ca 0.29 -1.46 -0.04 0.00 1.00 0.00 0.00 64.86 64.65 2h3i h ILE 104 Cb 0.71 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 2h3i h ILE 104 CO -0.07 0.49 -0.02 -0.33 0.00 0.00 0.00 178.15 178.22 2h3i h GLU 105 N 0.74 0.34 -0.86 2.37 5.08 -0.91 -2.58 114.58 118.76 2h3i h GLU 105 Ca 0.08 -0.12 0.21 0.00 -1.00 0.00 0.00 59.36 58.53 2h3i h GLU 105 Cb 0.86 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.03 2h3i h GLU 105 CO 0.08 0.58 0.59 1.49 -1.00 0.00 0.00 179.01 180.74 2h3i h GLU 106 N 0.07 0.25 0.27 2.33 4.22 -1.33 0.35 114.58 120.75 2h3i h GLU 106 Ca 0.05 -0.02 -0.01 0.00 0.08 0.00 0.00 59.36 59.46 2h3i h GLU 106 Cb 0.44 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2h3i h GLU 106 CO 0.01 0.17 -0.13 0.93 -2.18 0.00 0.00 179.01 177.81 2h3i h GLU 107 N 0.26 -0.35 -0.46 1.92 5.08 -1.42 -3.23 114.58 116.38 2h3i h GLU 107 Ca 0.44 0.02 0.13 0.00 -1.00 0.00 0.00 59.36 58.95 2h3i h GLU 107 Cb 1.29 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 30.60 2h3i h GLU 107 CO -0.11 -0.09 0.38 0.37 -1.00 0.00 0.00 179.01 178.56 2h3i h GLN 108 N -1.02 0.00 0.00 2.33 -0.00 -1.02 0.17 115.11 115.57 2h3i h GLN 108 Ca -0.04 0.00 -0.00 0.00 -0.00 0.00 0.00 58.65 58.61 2h3i h GLN 108 Cb 0.42 0.00 -0.00 0.00 0.00 0.00 0.00 27.48 27.90 2h3i h GLN 108 CO 0.06 0.00 -0.01 -0.91 0.00 0.00 0.00 178.83 177.97 2h3i h ASN 109 N 0.00 0.00 0.08 -0.69 2.35 -0.97 0.18 115.58 116.54 2h3i h ASN 109 Ca 0.22 0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.97 2h3i h ASN 109 Cb 0.98 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.35 2h3i h ASN 109 CO -0.00 0.01 -0.04 0.50 -1.65 0.00 0.00 177.43 176.25 2h3i h LYS 110 N 0.00 -0.10 0.00 0.81 3.64 -0.75 -3.18 116.57 116.98 2h3i h LYS 110 Ca -0.00 0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.30 2h3i h LYS 110 Cb 0.02 0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 2h3i h LYS 110 CO 0.00 0.33 -0.40 0.77 -2.27 0.00 0.00 179.45 177.88 2h3i h SER 111 N -0.58 0.00 -1.00 4.20 0.02 -1.54 -2.98 113.55 111.68 2h3i h SER 111 Ca -0.01 0.00 0.11 0.00 -0.84 0.00 0.00 61.79 61.05 2h3i h SER 111 Cb 0.48 0.00 -0.08 0.00 0.14 0.00 0.00 62.40 62.94 2h3i h SER 111 CO 0.02 0.40 0.63 0.50 -1.14 0.00 0.00 176.83 177.24 2h3i h LYS 112 N 0.00 0.97 -0.60 3.45 1.63 -0.95 0.91 116.57 121.98 2h3i h LYS 112 Ca -0.00 -0.06 0.16 0.00 -0.85 0.00 0.00 60.65 59.89 2h3i h LYS 112 Cb 0.76 -0.22 -0.03 0.00 -0.60 0.00 0.00 32.23 32.14 2h3i h LYS 112 CO 0.05 0.64 0.42 0.87 -3.45 0.00 0.00 179.45 177.99 2h3i h LYS 113 N 1.00 0.09 0.00 1.90 1.57 -1.51 -3.25 116.57 116.37 2h3i h LYS 113 Ca 0.49 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 59.26 2h3i h LYS 113 Cb 0.46 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.75 2h3i h LYS 113 CO -0.26 0.06 -0.04 1.63 -0.57 0.00 0.00 179.45 180.28 2h3i n LYS 114 N -4.39 0.03 -2.41 3.15 5.02 0.09 -4.96 118.16 114.68 2h3i n LYS 114 Ca 0.11 0.17 -0.17 0.00 -2.02 0.00 0.00 58.31 56.41 2h3i n LYS 114 Cb 0.61 -0.71 -0.01 0.00 -0.02 0.00 0.00 35.03 34.90 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 -2.42 -0.69 -0.06 7.82 0.00 0.07 -4.86 120.51 120.35 2h3i n ALA 115 Ca -0.01 0.14 -0.11 0.00 0.00 0.00 0.00 53.44 53.47 2h3i n ALA 115 Cb 0.02 -1.85 -0.04 0.00 0.00 0.00 0.00 19.45 17.58 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 0.00 0.33 0.00 0.00 4.15 -1.92 -2.38 115.11 115.29 2h3i h GLN 116 Ca -0.39 -0.06 -0.02 0.00 0.77 0.00 0.00 58.65 58.95 2h3i h GLN 116 Cb 1.29 -0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.92 2h3i h GLN 116 CO 0.47 0.38 -0.09 1.96 -1.93 0.00 0.00 178.83 179.62 2h3i h GLN 117 N 0.20 0.00 -0.93 1.69 4.20 -1.97 -1.57 115.11 116.73 2h3i h GLN 117 Ca 0.07 0.00 -0.47 0.00 0.06 0.00 0.00 58.65 58.31 2h3i h GLN 117 Cb 0.18 0.00 -0.28 0.00 0.30 0.00 0.00 27.48 27.68 2h3i h GLN 117 CO -0.01 0.09 0.57 0.00 -0.67 0.00 0.00 178.83 178.81 2h3i n ALA 118 N -2.38 5.44 -2.73 3.87 0.00 -0.93 -4.35 120.51 119.43 2h3i n ALA 118 Ca -0.02 -2.90 -0.04 0.00 0.00 0.00 0.00 53.44 50.48 2h3i n ALA 118 Cb 0.17 -1.37 0.08 0.00 0.00 0.00 0.00 19.45 18.33 2h3i n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 119 N -1.10 2.61 -2.11 0.00 0.00 -0.59 -4.89 120.51 114.43 2h3i n ALA 119 Ca 0.57 -2.08 -0.03 0.00 0.00 0.00 0.00 53.44 51.90 2h3i n ALA 119 Cb 1.60 -0.90 -0.03 0.00 0.00 0.00 0.00 19.45 20.12 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 -0.76 3.07 -2.24 0.00 0.00 -1.25 -4.90 120.51 114.43 2h3i n ALA 120 Ca -0.01 -0.97 0.03 0.00 0.00 0.00 0.00 53.44 52.49 2h3i n ALA 120 Cb 0.84 -0.38 0.03 0.00 0.00 0.00 0.00 19.45 19.94 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h3i n ASP 121 N 0.11 0.81 -4.51 0.00 5.75 -1.26 -5.04 116.55 112.41 2h3i n ASP 121 Ca -0.14 -2.18 -0.42 0.00 -0.01 0.00 0.00 54.79 52.04 2h3i n ASP 121 Cb 0.77 -0.29 -0.03 0.00 -1.03 0.00 0.00 41.12 40.53 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2h3i s THR 122 N -0.34 4.04 0.00 2.12 -4.23 -1.26 -4.89 115.64 111.08 2h3i s THR 122 Ca 0.24 0.09 0.00 0.00 -1.18 0.00 0.00 61.69 60.84 2h3i s THR 122 Cb 0.27 -4.79 0.00 0.00 1.34 0.00 0.00 72.50 69.32 2h3i s THR 122 CO -0.11 -1.62 0.00 0.61 -0.54 0.00 0.00 174.62 172.97 2h3i n GLY 123 N 5.33 0.39 3.96 3.99 0.00 -1.26 -5.02 105.19 112.57 2h3i n GLY 123 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 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 -1.59 5.44 0.09 1.61 2.20 -1.26 -5.09 114.94 116.34 2h3i s ASN 124 Ca 0.00 0.16 -0.15 0.00 -0.94 0.00 0.00 52.86 51.94 2h3i s ASN 124 Cb 0.00 -1.15 -0.06 0.00 -2.00 0.00 0.00 41.25 38.03 2h3i s ASN 124 CO 0.00 -1.03 0.50 0.20 -2.94 0.00 0.00 177.10 173.83 2h3i s ASN 125 N -4.36 6.84 -0.17 3.54 0.01 -1.26 -5.01 114.94 114.53 2h3i s ASN 125 Ca 0.54 1.04 -0.25 0.00 -0.71 0.00 0.00 52.86 53.48 2h3i s ASN 125 Cb -0.10 -2.28 -0.23 0.00 0.41 0.00 0.00 41.25 39.05 2h3i s ASN 125 CO 0.39 0.20 0.54 -1.28 -1.51 0.00 0.00 177.10 175.44 2h3i h SER 126 N 4.04 0.02 -4.87 -1.22 0.87 -2.04 -3.50 113.55 106.84 2h3i h SER 126 Ca -0.50 -0.79 0.01 0.00 -1.23 0.00 0.00 61.79 59.28 2h3i h SER 126 Cb 1.20 -0.01 -0.12 0.00 -0.44 0.00 0.00 62.40 63.04 2h3i h SER 126 CO 0.64 1.23 -1.47 0.00 -0.53 0.00 0.00 176.83 176.70 2h3i n GLN 127 N -4.51 -4.27 -3.69 2.24 6.02 -1.26 -5.08 117.38 106.83 2h3i n GLN 127 Ca -0.20 3.25 -0.13 0.00 -0.01 0.00 0.00 57.00 59.92 2h3i n GLN 127 Cb 0.58 -4.87 -0.09 0.00 1.02 0.00 0.00 30.24 26.88 2h3i n GLN 127 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 2h3i s VAL 128 N -0.70 -0.00 -0.40 5.09 0.11 -1.26 -5.13 120.40 118.10 2h3i s VAL 128 Ca -0.25 0.01 -0.24 0.00 -2.93 0.00 0.00 61.98 58.56 2h3i s VAL 128 Cb 0.02 -0.74 0.02 0.00 -1.53 0.00 0.00 36.38 34.14 2h3i s VAL 128 CO 0.75 0.00 0.85 -0.55 -3.33 0.00 0.00 175.10 172.82 2h3i s SER 129 N 0.45 6.54 -0.02 3.54 0.15 -1.26 -5.03 113.70 118.07 2h3i s SER 129 Ca -0.01 0.27 0.05 0.00 0.70 0.00 0.00 55.95 56.95 2h3i s SER 129 Cb -0.04 -2.42 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2h3i s SER 129 CO -0.01 -0.87 -0.16 -1.58 1.20 0.00 0.00 173.24 171.82 2h3i s GLN 130 N 3.37 1.44 -0.39 5.44 0.74 -1.26 -5.05 119.66 123.96 2h3i s GLN 130 Ca 0.34 -0.57 0.05 0.00 0.05 0.00 0.00 55.36 55.23 2h3i s GLN 130 Cb -0.12 -1.34 0.32 0.00 1.10 0.00 0.00 33.01 32.97 2h3i s GLN 130 CO 0.20 0.30 1.26 -1.71 -0.55 0.00 0.00 175.29 174.79 2h3i n ASN 131 N 2.88 -1.76 0.00 6.67 5.15 -1.26 -5.32 115.26 121.62 2h3i n ASN 131 Ca -0.16 -2.69 0.00 0.00 -0.60 0.00 0.00 54.58 51.13 2h3i n ASN 131 Cb 0.54 1.49 0.00 0.00 -0.53 0.00 0.00 39.78 41.28 2h3i n ASN 131 CO 0.00 0.00 0.00 -1.22 1.40 0.00 0.00 177.26 177.44