#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 0.29 -1.38 4.61 0.00 -1.26 -5.11 120.51 117.66 2h3i n ALA 3 Ca 0.00 -1.50 -0.37 0.00 0.00 0.00 0.00 53.44 51.57 2h3i n ALA 3 Cb 0.00 0.82 0.06 0.00 0.00 0.00 0.00 19.45 20.34 2h3i n ALA 3 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2h3i n ARG 4 N -0.83 0.47 -2.16 0.00 5.12 -1.26 -4.92 116.66 113.09 2h3i n ARG 4 Ca -0.14 0.20 -0.37 0.00 -1.93 0.00 0.00 57.85 55.62 2h3i n ARG 4 Cb 0.42 -1.93 0.01 0.00 -1.16 0.00 0.00 32.46 29.80 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2h3i s ALA 5 N -1.79 2.85 -0.21 7.54 0.00 -1.26 -4.95 121.76 123.93 2h3i s ALA 5 Ca 0.69 0.98 0.06 0.00 0.00 0.00 0.00 51.96 53.69 2h3i s ALA 5 Cb -0.38 -3.41 0.20 0.00 0.00 0.00 0.00 23.12 19.53 2h3i s ALA 5 CO 0.54 -0.84 1.05 0.43 0.00 0.00 0.00 175.76 176.94 2h3i n SER 6 N -0.85 -0.90 0.00 0.00 7.64 -1.26 -4.99 113.62 113.25 2h3i n SER 6 Ca 0.09 -1.69 0.00 0.00 1.01 0.00 0.00 58.87 58.28 2h3i n SER 6 Cb 0.48 0.51 0.00 0.00 -1.01 0.00 0.00 64.21 64.19 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2h3i n VAL 7 N -0.70 0.00 -2.87 0.44 0.31 -1.26 -5.05 118.33 109.20 2h3i n VAL 7 Ca -0.11 0.00 -0.36 0.00 -0.01 0.00 0.00 64.34 63.86 2h3i n VAL 7 Cb 0.70 -0.56 -0.06 0.00 -0.91 0.00 0.00 33.84 33.00 2h3i n VAL 7 CO 0.00 0.00 0.00 -1.48 -1.32 0.00 0.00 176.83 174.03 2h3i s LEU 8 N -4.81 4.28 0.00 7.52 2.34 -1.26 -5.01 118.68 121.74 2h3i s LEU 8 Ca 0.00 1.70 0.00 0.00 0.06 0.00 0.00 54.13 55.89 2h3i s LEU 8 Cb 0.00 -3.98 0.00 0.00 -0.56 0.00 0.00 46.19 41.65 2h3i s LEU 8 CO 0.00 -0.08 0.00 -0.24 -1.06 0.00 0.00 176.35 174.97 2h3i n SER 9 N 0.42 0.00 -0.10 1.48 2.88 -1.26 -4.92 113.62 112.11 2h3i n SER 9 Ca 0.02 -0.16 -0.24 0.00 -1.33 0.00 0.00 58.87 57.16 2h3i n SER 9 Cb 0.51 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.86 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h3i n GLY 10 N 5.00 -0.71 0.21 0.46 0.00 -1.26 -3.23 105.19 105.66 2h3i n GLY 10 Ca 0.00 0.02 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2h3i n GLY 10 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2h3i h GLY 11 N -0.74 0.00 0.53 -0.02 0.00 -2.01 -2.97 103.07 97.87 2h3i h GLY 11 Ca -0.45 0.00 -0.15 0.00 0.00 0.00 0.00 47.33 46.73 2h3i h GLY 11 CO -0.24 0.00 -0.64 -2.09 0.00 0.00 0.00 176.54 173.57 2h3i h GLU 12 N 0.00 0.23 -0.70 4.80 4.81 -1.97 -3.24 114.58 118.51 2h3i h GLU 12 Ca -0.00 -0.40 0.14 0.00 -0.13 0.00 0.00 59.36 58.97 2h3i h GLU 12 Cb 0.56 0.15 -0.10 0.00 0.63 0.00 0.00 28.75 29.99 2h3i h GLU 12 CO 0.04 1.19 0.17 1.25 -0.73 0.00 0.00 179.01 180.93 2h3i h LEU 13 N -0.51 0.04 -0.09 1.64 6.46 -1.51 0.30 115.31 121.63 2h3i h LEU 13 Ca -0.11 0.13 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 2h3i h LEU 13 Cb 1.50 0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 41.59 2h3i h LEU 13 CO 0.12 -0.01 -0.02 0.44 -0.62 0.00 0.00 178.44 178.35 2h3i h ASP 14 N 0.29 -0.08 -0.74 1.25 3.32 -1.64 -2.49 116.42 116.32 2h3i h ASP 14 Ca 0.38 0.03 -0.04 0.00 0.02 0.00 0.00 57.03 57.42 2h3i h ASP 14 Cb 0.62 0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.19 2h3i h ASP 14 CO -0.47 -0.03 0.29 0.11 -1.72 0.00 0.00 179.24 177.43 2h3i h LYS 15 N -0.00 1.12 -0.71 3.56 6.56 -1.26 -2.31 116.57 123.54 2h3i h LYS 15 Ca 0.04 -0.20 0.12 0.00 -1.06 0.00 0.00 60.65 59.55 2h3i h LYS 15 Cb 0.07 -0.18 -0.08 0.00 -0.57 0.00 0.00 32.23 31.46 2h3i h LYS 15 CO -0.09 0.91 0.29 2.35 -2.06 0.00 0.00 179.45 180.85 2h3i h TRP 16 N 1.10 0.50 0.00 -1.35 2.91 -0.03 0.28 115.95 119.34 2h3i h TRP 16 Ca 0.25 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.30 2h3i h TRP 16 Cb 0.22 -0.11 0.00 0.00 -0.51 0.00 0.00 29.16 28.75 2h3i h TRP 16 CO 0.02 0.10 0.00 0.93 -1.03 0.00 0.00 178.44 178.46 2h3i h GLU 17 N 0.46 0.00 -0.00 2.65 5.08 -1.17 -2.93 114.58 118.66 2h3i h GLU 17 Ca 0.37 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.73 2h3i h GLU 17 Cb 0.51 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.76 2h3i h GLU 17 CO -0.36 0.00 -0.14 1.17 -1.00 0.00 0.00 179.01 178.68 2h3i n LYS 18 N -2.31 0.61 -3.17 2.33 4.81 0.91 -4.09 118.16 117.25 2h3i n LYS 18 Ca 0.05 -0.23 -0.39 0.00 -0.87 0.00 0.00 58.31 56.87 2h3i n LYS 18 Cb 0.39 -1.50 -0.06 0.00 0.02 0.00 0.00 35.03 33.88 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 -2.55 4.78 0.88 3.15 1.01 -0.80 -4.96 121.20 122.71 2h3i s ILE 19 Ca 0.26 1.34 -0.13 0.00 0.00 0.00 0.00 60.65 62.12 2h3i s ILE 19 Cb 0.20 -3.97 0.15 0.00 0.01 0.00 0.00 42.46 38.85 2h3i s ILE 19 CO 0.50 0.46 1.23 -0.13 0.00 0.00 0.00 174.94 177.00 2h3i s ARG 20 N -0.53 1.22 -0.18 2.79 0.52 -1.25 -0.51 118.95 121.01 2h3i s ARG 20 Ca 0.32 -0.30 -0.02 0.00 -0.52 0.00 0.00 55.73 55.21 2h3i s ARG 20 Cb -0.19 -1.94 -0.10 0.00 0.52 0.00 0.00 34.95 33.24 2h3i s ARG 20 CO 0.19 -2.02 -0.18 1.28 0.02 0.00 0.00 175.30 174.60 2h3i n LEU 21 N -3.50 2.50 -4.82 2.53 4.77 0.10 -3.53 117.00 115.05 2h3i n LEU 21 Ca 0.13 -0.00 -0.22 0.00 -0.03 0.00 0.00 56.01 55.88 2h3i n LEU 21 Cb 0.60 -0.59 -0.05 0.00 -2.33 0.00 0.00 43.42 41.06 2h3i n LEU 21 CO 0.49 0.68 -0.09 -0.13 -1.33 0.00 0.00 177.39 177.01 2h3i s ARG 22 N -2.34 2.47 -0.02 3.23 3.00 -1.26 -3.47 118.95 120.55 2h3i s ARG 22 Ca -0.24 -1.56 -0.25 0.00 0.00 0.00 0.00 55.73 53.68 2h3i s ARG 22 Cb 0.07 -2.27 -0.18 0.00 0.00 0.00 0.00 34.95 32.57 2h3i s ARG 22 CO 0.38 -0.07 1.17 -1.00 0.00 0.00 0.00 175.30 175.77 2h3i h PRO 23 N 1.25 -0.15 -0.77 3.54 0.13 -1.94 -3.34 132.00 130.72 2h3i h PRO 23 Ca -0.43 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.17 2h3i h PRO 23 Cb 1.26 0.03 -0.35 0.00 0.13 0.00 0.00 31.00 32.07 2h3i h PRO 23 CO 0.61 0.28 -0.23 0.41 -0.23 0.00 0.00 178.00 178.84 2h3i n GLY 24 N 0.18 6.07 0.00 1.56 0.00 -1.26 -4.96 105.19 106.78 2h3i n GLY 24 Ca -0.09 -2.39 0.00 0.00 0.00 0.00 0.00 46.02 43.55 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 -0.82 4.44 0.00 -0.02 0.00 -1.25 -5.06 105.19 102.47 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 -0.20 0.14 -2.59 1.61 3.00 -1.26 -4.92 118.16 113.94 2h3i n LYS 26 Ca 0.00 -0.46 -0.40 0.00 -0.00 0.00 0.00 58.31 57.45 2h3i n LYS 26 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 35.03 34.26 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3i s LYS 27 N -0.15 4.72 0.49 1.64 1.02 -1.26 -4.96 119.74 121.25 2h3i s LYS 27 Ca 0.00 1.67 0.03 0.00 0.02 0.00 0.00 55.97 57.69 2h3i s LYS 27 Cb 0.00 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.12 2h3i s LYS 27 CO 0.00 0.33 0.23 1.04 -0.92 0.00 0.00 175.35 176.03 2h3i n GLN 28 N 1.29 0.79 -3.90 1.68 6.02 -1.26 0.00 117.38 121.99 2h3i n GLN 28 Ca -0.01 -3.26 -0.29 0.00 -0.01 0.00 0.00 57.00 53.43 2h3i n GLN 28 Cb 0.46 0.56 -0.04 0.00 1.02 0.00 0.00 30.24 32.25 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 2h3i s TYR 29 N -2.58 3.50 0.23 1.08 2.02 0.34 -4.62 117.35 117.32 2h3i s TYR 29 Ca 0.17 0.21 -0.09 0.00 -0.37 0.00 0.00 57.07 57.00 2h3i s TYR 29 Cb -0.01 -1.74 -0.02 0.00 -0.40 0.00 0.00 41.96 39.79 2h3i s TYR 29 CO 0.11 0.54 0.36 0.15 -1.57 0.00 0.00 175.55 175.14 2h3i s LYS 30 N -2.89 1.44 0.25 -0.62 1.02 -1.26 -4.11 119.74 113.56 2h3i s LYS 30 Ca 0.35 -1.38 -0.06 0.00 0.02 0.00 0.00 55.97 54.90 2h3i s LYS 30 Cb -0.12 0.40 0.47 0.00 -0.52 0.00 0.00 37.83 38.06 2h3i s LYS 30 CO 0.28 -0.56 1.64 -0.07 -0.92 0.00 0.00 175.35 175.72 2h3i h LEU 31 N 2.37 -0.31 -0.88 3.17 4.07 -1.99 0.11 115.31 121.85 2h3i h LEU 31 Ca -0.29 0.20 0.23 0.00 0.08 0.00 0.00 57.88 58.09 2h3i h LEU 31 Cb 1.25 0.34 -0.17 0.00 1.08 0.00 0.00 40.66 43.16 2h3i h LEU 31 CO 0.41 -0.18 -0.04 0.29 -1.08 0.00 0.00 178.44 177.84 2h3i n LYS 32 N -5.33 -0.07 -0.05 1.13 5.02 -1.26 0.62 118.16 118.21 2h3i n LYS 32 Ca 0.14 1.33 -0.12 0.00 -2.02 0.00 0.00 58.31 57.65 2h3i n LYS 32 Cb 0.50 -2.09 -0.06 0.00 -0.02 0.00 0.00 35.03 33.36 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 2h3i h HIS 33 N 0.00 0.32 0.27 2.13 3.86 -1.38 -2.01 115.15 118.33 2h3i h HIS 33 Ca 0.51 -0.06 0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2h3i h HIS 33 Cb 0.99 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.34 2h3i h HIS 33 CO -0.51 0.52 -0.40 0.82 0.86 0.00 0.00 177.93 179.22 2h3i h ILE 34 N 0.03 0.19 -0.50 2.45 2.04 0.24 -1.97 117.51 119.98 2h3i h ILE 34 Ca 0.05 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.00 2h3i h ILE 34 Cb 0.39 0.19 -0.08 0.00 -0.74 0.00 0.00 36.82 36.59 2h3i h ILE 34 CO 0.01 0.00 0.05 0.58 0.00 0.00 0.00 178.15 178.79 2h3i h VAL 35 N -0.73 0.66 -0.01 1.67 2.07 -1.21 0.38 116.25 119.07 2h3i h VAL 35 Ca -0.01 -0.06 0.00 0.00 0.82 0.00 0.00 66.70 67.46 2h3i h VAL 35 Cb 0.70 0.47 -0.00 0.00 -1.52 0.00 0.00 31.29 30.93 2h3i h VAL 35 CO -0.14 0.03 0.12 -0.25 0.02 0.00 0.00 177.57 177.35 2h3i h TRP 36 N 0.18 0.00 0.00 1.57 7.01 -0.98 0.33 115.95 124.05 2h3i h TRP 36 Ca 0.26 0.00 -0.21 0.00 2.11 0.00 0.00 58.89 61.05 2h3i h TRP 36 Cb 0.37 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.40 2h3i h TRP 36 CO -0.27 0.00 -1.37 0.00 -2.79 0.00 0.00 178.44 174.01 2h3i n ALA 37 N -2.05 0.82 0.03 2.65 0.00 0.97 -3.90 120.51 119.03 2h3i n ALA 37 Ca -0.02 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.80 2h3i n ALA 37 Cb 0.19 -0.20 0.42 0.00 0.00 0.00 0.00 19.45 19.85 2h3i n ALA 37 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3i h SER 38 N -1.00 0.41 1.00 0.00 0.87 -0.22 -0.50 113.55 114.12 2h3i h SER 38 Ca -0.32 -0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.21 2h3i h SER 38 Cb 1.16 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.02 2h3i h SER 38 CO -0.19 0.36 -0.00 -0.09 -0.53 0.00 0.00 176.83 176.37 2h3i h ARG 39 N 0.47 0.00 0.13 2.24 2.43 -0.56 -2.57 114.38 116.53 2h3i h ARG 39 Ca 0.12 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 58.96 2h3i h ARG 39 Cb 0.06 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 29.60 2h3i h ARG 39 CO -0.02 0.00 -1.73 1.49 -1.51 0.00 0.00 179.97 178.21 2h3i h GLU 40 N 0.00 0.28 -0.27 0.20 4.57 -1.23 -3.34 114.58 114.80 2h3i h GLU 40 Ca -0.00 -0.48 -0.09 0.00 -1.18 0.00 0.00 59.36 57.61 2h3i h GLU 40 Cb 0.51 0.18 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 2h3i h GLU 40 CO 0.00 1.15 -0.24 -0.07 -1.18 0.00 0.00 179.01 178.67 2h3i h LEU 41 N 0.08 0.51 -0.71 1.64 3.38 -1.24 0.08 115.31 119.05 2h3i h LEU 41 Ca -0.32 -0.17 0.02 0.00 0.09 0.00 0.00 57.88 57.50 2h3i h LEU 41 Cb 2.05 -0.14 -0.04 0.00 0.09 0.00 0.00 40.66 42.62 2h3i h LEU 41 CO 0.14 0.74 0.46 -0.08 0.09 0.00 0.00 178.44 179.80 2h3i h GLU 42 N 0.45 0.89 0.00 1.13 4.81 -1.58 -1.69 114.58 118.59 2h3i h GLU 42 Ca 0.07 -0.05 -0.15 0.00 -0.13 0.00 0.00 59.36 59.09 2h3i h GLU 42 Cb 0.66 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.81 2h3i h GLU 42 CO 0.05 0.59 -0.86 -0.09 -0.73 0.00 0.00 179.01 177.97 2h3i h ARG 43 N 0.92 0.00 0.00 1.92 9.65 -1.63 -3.22 114.38 122.01 2h3i h ARG 43 Ca 0.27 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.15 2h3i h ARG 43 Cb -0.05 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.53 2h3i h ARG 43 CO -0.08 0.60 0.00 1.19 2.80 0.00 0.00 179.97 184.48 2h3i n PHE 44 N -3.19 0.68 -0.40 2.20 3.01 0.00 -4.82 117.46 114.94 2h3i n PHE 44 Ca -0.02 0.30 0.00 0.00 1.01 0.00 0.00 57.45 58.75 2h3i n PHE 44 Cb 0.83 -0.99 0.00 0.00 -0.01 0.00 0.00 39.48 39.31 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 -1.74 0.00 -2.81 4.37 0.00 -1.04 -5.05 120.51 114.23 2h3i n ALA 45 Ca 0.01 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.10 2h3i n ALA 45 Cb 0.13 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.48 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 -2.28 4.85 -0.13 0.00 1.01 -0.68 -5.04 120.40 118.13 2h3i s VAL 46 Ca 0.00 -0.01 -0.37 0.00 0.00 0.00 0.00 61.98 61.60 2h3i s VAL 46 Cb 0.00 -3.20 -0.14 0.00 0.00 0.00 0.00 36.38 33.04 2h3i s VAL 46 CO 0.00 0.44 1.76 -3.20 0.00 0.00 0.00 175.10 174.10 2h3i n ASN 47 N 3.70 2.85 0.00 3.32 5.15 -1.26 -3.94 115.26 125.08 2h3i n ASN 47 Ca -0.16 1.03 0.07 0.00 -0.60 0.00 0.00 54.58 54.92 2h3i n ASN 47 Cb 0.52 -1.27 0.35 0.00 -0.53 0.00 0.00 39.78 38.85 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 2h3i n PRO 48 N 5.53 0.15 0.01 1.20 -0.04 -1.26 -2.47 135.00 138.12 2h3i n PRO 48 Ca 0.23 0.18 0.13 0.00 -0.04 0.00 0.00 63.50 64.00 2h3i n PRO 48 Cb 0.22 -1.50 0.58 0.00 -0.04 0.00 0.00 33.50 32.76 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 -1.48 0.18 0.55 0.00 -1.26 -3.16 105.19 99.98 2h3i n GLY 49 Ca 0.06 -0.09 0.07 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 0.00 -2.10 0.99 3.38 -1.83 -3.07 115.31 112.68 2h3i h LEU 50 Ca 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 50 Cb 0.50 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.25 2h3i h LEU 50 CO 0.00 0.32 -0.01 -0.07 0.09 0.00 0.00 178.44 178.77 2h3i h LEU 51 N 0.00 0.00 0.00 1.67 3.38 -1.77 -1.93 115.31 116.66 2h3i h LEU 51 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.83 2h3i h LEU 51 Cb 1.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.81 2h3i h LEU 51 CO 0.04 0.01 -0.91 1.05 0.09 0.00 0.00 178.44 178.72 2h3i h GLU 52 N 0.00 0.00 -5.08 1.13 -0.00 -1.74 -3.45 114.58 105.44 2h3i h GLU 52 Ca -0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 59.36 58.73 2h3i h GLU 52 Cb 0.30 0.00 -0.17 0.00 -0.00 0.00 0.00 28.75 28.88 2h3i h GLU 52 CO 0.00 0.42 -0.54 0.95 -0.00 0.00 0.00 179.01 179.84 2h3i s THR 53 N -2.95 5.01 0.56 -1.06 -4.23 -0.72 -4.96 115.64 107.29 2h3i s THR 53 Ca 0.01 0.06 0.29 0.00 -1.18 0.00 0.00 61.69 60.87 2h3i s THR 53 Cb 0.08 -3.33 0.42 0.00 1.34 0.00 0.00 72.50 71.01 2h3i s THR 53 CO 0.78 0.36 1.92 0.28 -0.54 0.00 0.00 174.62 177.41 2h3i h SER 54 N 7.59 0.00 0.57 3.99 0.02 -1.86 0.47 113.55 124.33 2h3i h SER 54 Ca -0.37 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.48 2h3i h SER 54 Cb 1.17 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.70 2h3i h SER 54 CO 0.64 0.00 -0.46 -0.33 -1.14 0.00 0.00 176.83 175.54 2h3i h GLU 55 N 0.00 0.00 0.22 3.45 4.39 -1.93 -3.00 114.58 117.71 2h3i h GLU 55 Ca 0.29 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.98 2h3i h GLU 55 Cb 1.31 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.96 2h3i h GLU 55 CO -0.00 0.46 -0.11 0.78 -1.16 0.00 0.00 179.01 178.98 2h3i h GLY 56 N 1.59 -0.31 0.81 -3.84 0.00 -0.12 -3.20 103.07 97.99 2h3i h GLY 56 Ca -0.00 0.11 0.02 0.00 0.00 0.00 0.00 47.33 47.46 2h3i h GLY 56 CO 0.06 -0.11 0.07 0.00 0.00 0.00 0.00 176.54 176.56 2h3i h ARG 58 N 0.17 0.07 0.12 0.00 2.43 -1.53 0.48 114.38 116.11 2h3i h ARG 58 Ca 0.10 -0.00 -0.36 0.00 -0.81 0.00 0.00 59.98 58.90 2h3i h ARG 58 Cb 0.07 -0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.59 2h3i h ARG 58 CO -0.11 0.05 -2.00 1.04 -1.51 0.00 0.00 179.97 177.44 2h3i n GLN 59 N -4.48 0.76 0.27 0.20 6.02 -0.73 -3.50 117.38 115.92 2h3i n GLN 59 Ca 0.37 0.26 0.10 0.00 -0.01 0.00 0.00 57.00 57.73 2h3i n GLN 59 Cb 1.52 -1.71 0.72 0.00 1.02 0.00 0.00 30.24 31.79 2h3i n GLN 59 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 2h3i h ILE 60 N 0.07 0.82 0.00 5.09 2.04 0.14 -0.91 117.51 124.76 2h3i h ILE 60 Ca -0.42 -0.15 -0.04 0.00 1.00 0.00 0.00 64.86 65.24 2h3i h ILE 60 Cb 2.03 1.09 -0.01 0.00 -0.74 0.00 0.00 36.82 39.19 2h3i h ILE 60 CO 0.09 0.04 -0.65 -0.07 0.00 0.00 0.00 178.15 177.56 2h3i h LEU 61 N 0.00 0.00 -0.78 1.44 3.38 -0.48 -3.29 115.31 115.59 2h3i h LEU 61 Ca -0.00 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 57.85 2h3i h LEU 61 Cb 0.08 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 2h3i h LEU 61 CO 0.01 0.18 -0.57 1.23 0.09 0.00 0.00 178.44 179.38 2h3i h GLY 62 N 3.86 0.00 0.19 0.83 0.00 -1.20 0.09 103.07 106.84 2h3i h GLY 62 Ca -0.03 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.30 2h3i h GLY 62 CO 0.02 0.00 -0.01 1.46 0.00 0.00 0.00 176.54 178.01 2h3i h GLN 63 N 0.00 -0.02 0.00 4.80 4.20 -1.60 -3.31 115.11 119.19 2h3i h GLN 63 Ca -0.01 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.62 2h3i h GLN 63 Cb 1.07 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.84 2h3i h GLN 63 CO 0.07 0.75 -0.41 -0.07 -0.67 0.00 0.00 178.83 178.51 2h3i h LEU 64 N -0.83 0.00 -0.27 1.46 3.38 -1.63 -3.29 115.31 114.13 2h3i h LEU 64 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.00 2h3i h LEU 64 Cb 0.77 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 2h3i h LEU 64 CO 0.00 0.41 -0.45 -0.61 0.09 0.00 0.00 178.44 177.88 2h3i h GLN 65 N 0.00 -0.36 0.00 1.13 4.15 -1.05 0.37 115.11 119.35 2h3i h GLN 65 Ca -0.00 0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.44 2h3i h GLN 65 Cb 0.91 0.08 0.00 0.00 0.21 0.00 0.00 27.48 28.68 2h3i h GLN 65 CO 0.05 -0.24 0.00 -0.35 -1.93 0.00 0.00 178.83 176.37 2h3i n PRO 66 N -4.88 0.36 -0.00 -2.39 -0.04 -1.24 -1.88 135.00 124.93 2h3i n PRO 66 Ca -0.03 0.07 0.10 0.00 -0.04 0.00 0.00 63.50 63.59 2h3i n PRO 66 Cb 0.29 -1.50 -0.12 0.00 -0.04 0.00 0.00 33.50 32.12 2h3i n PRO 66 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2h3i n SER 67 N -1.14 0.85 0.23 3.54 7.64 0.11 -4.29 113.62 120.57 2h3i n SER 67 Ca 0.09 -0.84 0.16 0.00 1.01 0.00 0.00 58.87 59.29 2h3i n SER 67 Cb 0.08 1.14 0.85 0.00 -1.01 0.00 0.00 64.21 65.27 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3i h LEU 68 N 0.00 0.00 -0.37 -3.43 3.38 -0.23 0.16 115.31 114.82 2h3i h LEU 68 Ca 0.00 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2h3i h LEU 68 Cb 0.55 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.24 2h3i h LEU 68 CO 0.00 0.00 -0.07 -0.61 0.09 0.00 0.00 178.44 177.85 2h3i h GLN 69 N 0.00 0.02 -0.75 1.13 5.75 -1.78 -3.25 115.11 116.23 2h3i h GLN 69 Ca 0.06 -0.00 -0.35 0.00 -0.15 0.00 0.00 58.65 58.21 2h3i h GLN 69 Cb 0.34 -0.01 -0.41 0.00 1.07 0.00 0.00 27.48 28.48 2h3i h GLN 69 CO -0.00 0.02 -1.07 0.25 -2.65 0.00 0.00 178.83 175.38 2h3i n THR 70 N -5.26 1.46 -3.10 2.39 -2.24 -0.86 -5.08 114.28 101.58 2h3i n THR 70 Ca 0.02 -3.33 -0.40 0.00 -2.27 0.00 0.00 64.05 58.07 2h3i n THR 70 Cb 0.20 0.53 -0.05 0.00 -2.10 0.00 0.00 70.33 68.91 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2h3i s GLY 71 N -3.54 2.27 1.13 3.38 0.00 0.50 -5.05 107.32 106.01 2h3i s GLY 71 Ca 0.32 -0.11 -0.18 0.00 0.00 0.00 0.00 44.72 44.75 2h3i s GLY 71 CO -0.02 1.24 0.12 -1.14 0.00 0.00 0.00 173.10 173.30 2h3i n SER 72 N 4.50 -2.49 -0.19 1.64 3.41 -1.26 -4.52 113.62 114.71 2h3i n SER 72 Ca -0.01 -0.20 0.27 0.00 -0.26 0.00 0.00 58.87 58.67 2h3i n SER 72 Cb 0.50 -0.94 0.70 0.00 -0.26 0.00 0.00 64.21 64.21 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 -2.26 0.05 -0.30 4.33 4.57 -1.99 0.49 114.58 119.46 2h3i h GLU 73 Ca -0.51 -0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 57.65 2h3i h GLU 73 Cb 1.29 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.86 2h3i h GLU 73 CO 0.36 0.03 0.09 0.93 -1.18 0.00 0.00 179.01 179.24 2h3i h GLU 74 N 0.05 0.47 -0.33 1.92 5.08 -1.99 -0.64 114.58 119.14 2h3i h GLU 74 Ca 0.43 -0.10 -0.01 0.00 -1.00 0.00 0.00 59.36 58.68 2h3i h GLU 74 Cb 1.64 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 30.81 2h3i h GLU 74 CO -0.03 0.52 0.15 1.25 -1.00 0.00 0.00 179.01 179.91 2h3i h LEU 75 N 0.32 0.40 -0.21 1.33 6.46 -1.17 -0.12 115.31 122.33 2h3i h LEU 75 Ca 0.10 -0.03 -0.22 0.00 -0.12 0.00 0.00 57.88 57.61 2h3i h LEU 75 Cb 0.26 -0.10 0.00 0.00 -0.73 0.00 0.00 40.66 40.08 2h3i h LEU 75 CO -0.00 0.35 -0.90 0.03 -0.62 0.00 0.00 178.44 177.31 2h3i h ARG 76 N 0.46 0.42 0.00 1.25 3.08 -1.17 -2.43 114.38 115.99 2h3i h ARG 76 Ca 0.12 -0.43 -0.13 0.00 0.07 0.00 0.00 59.98 59.61 2h3i h ARG 76 Cb 0.06 0.12 -0.02 0.00 0.08 0.00 0.00 29.97 30.21 2h3i h ARG 76 CO -0.02 1.09 -0.61 0.77 -1.07 0.00 0.00 179.97 180.13 2h3i h SER 77 N 0.25 0.00 0.23 7.04 0.02 -0.46 -3.06 113.55 117.56 2h3i h SER 77 Ca -0.07 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.87 2h3i h SER 77 Cb 1.52 0.00 0.00 0.00 0.14 0.00 0.00 62.40 64.06 2h3i h SER 77 CO 0.16 0.61 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.28 2h3i h LEU 78 N 0.00 -0.26 -0.88 5.07 -0.00 -1.03 -3.21 115.31 115.00 2h3i h LEU 78 Ca -0.01 -0.05 0.24 0.00 -0.00 0.00 0.00 57.88 58.06 2h3i h LEU 78 Cb 1.12 0.07 -0.15 0.00 -0.00 0.00 0.00 40.66 41.70 2h3i h LEU 78 CO 0.08 0.22 0.17 0.22 -0.00 0.00 0.00 178.44 179.13 2h3i h TYR 79 N -1.06 0.23 0.13 1.13 3.20 -1.53 0.38 116.97 119.44 2h3i h TYR 79 Ca -0.03 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.89 2h3i h TYR 79 Cb 0.30 0.04 -0.02 0.00 1.54 0.00 0.00 36.73 38.59 2h3i h TYR 79 CO 0.02 -0.26 -0.28 -0.91 -1.64 0.00 0.00 178.16 175.08 2h3i h ASN 80 N 0.15 -0.83 0.38 -2.11 -0.26 -1.63 0.96 115.58 112.23 2h3i h ASN 80 Ca 0.55 0.08 -0.02 0.00 -0.56 0.00 0.00 56.30 56.35 2h3i h ASN 80 Cb 1.11 0.30 0.00 0.00 -1.06 0.00 0.00 38.32 38.67 2h3i h ASN 80 CO -0.71 -0.32 -0.19 0.74 -1.06 0.00 0.00 177.43 175.88 2h3i h THR 81 N -0.45 0.60 -0.81 2.81 2.02 -1.29 -2.87 112.91 112.91 2h3i h THR 81 Ca -0.01 0.00 0.18 0.00 0.77 0.00 0.00 66.41 67.35 2h3i h THR 81 Cb 0.43 0.60 -0.15 0.00 -1.74 0.00 0.00 68.15 67.30 2h3i h THR 81 CO -0.12 0.00 -0.07 0.40 0.37 0.00 0.00 175.52 176.11 2h3i h ILE 82 N -0.52 0.24 -0.21 3.11 2.04 -0.23 -0.45 117.51 121.48 2h3i h ILE 82 Ca -0.05 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.85 2h3i h ILE 82 Cb 0.41 0.18 -0.07 0.00 -0.74 0.00 0.00 36.82 36.60 2h3i h ILE 82 CO 0.07 0.01 -0.40 0.00 0.00 0.00 0.00 178.15 177.83 2h3i h ALA 83 N 1.79 -0.50 -0.78 1.87 0.00 -0.58 -0.95 119.26 120.12 2h3i h ALA 83 Ca 0.43 0.02 0.17 0.00 0.00 0.00 0.00 54.91 55.53 2h3i h ALA 83 Cb 0.75 0.78 -0.11 0.00 0.00 0.00 0.00 17.79 19.21 2h3i h ALA 83 CO -0.76 -0.88 0.25 0.28 0.00 0.00 0.00 179.25 178.13 2h3i h VAL 84 N -0.43 0.53 0.65 0.00 2.07 -1.02 -0.66 116.25 117.39 2h3i h VAL 84 Ca 0.10 -0.11 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 2h3i h VAL 84 Cb 0.60 0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 30.53 2h3i h VAL 84 CO -0.44 0.06 -0.49 -0.07 0.02 0.00 0.00 177.57 176.66 2h3i h LEU 85 N 0.33 -1.28 -0.38 2.57 3.38 -0.76 -0.12 115.31 119.06 2h3i h LEU 85 Ca 0.45 0.09 0.08 0.00 0.09 0.00 0.00 57.88 58.58 2h3i h LEU 85 Cb 0.77 0.39 -0.08 0.00 0.09 0.00 0.00 40.66 41.83 2h3i h LEU 85 CO -0.49 -0.70 -0.21 0.22 0.09 0.00 0.00 178.44 177.35 2h3i h TYR 86 N -1.09 -0.52 0.05 1.13 3.20 -0.70 -1.33 116.97 117.71 2h3i h TYR 86 Ca -0.09 0.04 0.03 0.00 3.14 0.00 0.00 58.73 61.86 2h3i h TYR 86 Cb 0.90 0.29 -0.05 0.00 1.54 0.00 0.00 36.73 39.41 2h3i h TYR 86 CO -0.17 -0.28 -0.38 0.00 -1.64 0.00 0.00 178.16 175.69 2h3i h VAL 88 N -0.57 0.34 -0.61 0.00 2.07 -0.43 0.15 116.25 117.20 2h3i h VAL 88 Ca 0.04 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.62 2h3i h VAL 88 Cb 0.63 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.68 2h3i h VAL 88 CO -0.27 0.00 0.32 0.45 0.02 0.00 0.00 177.57 178.09 2h3i h HIS 89 N -0.11 0.59 0.00 1.57 -0.00 -0.78 0.10 115.15 116.52 2h3i h HIS 89 Ca 0.23 0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.63 2h3i h HIS 89 Cb 0.47 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.71 2h3i h HIS 89 CO -0.50 0.27 0.00 1.04 -0.00 0.00 0.00 177.93 178.74 2h3i n GLN 90 N -4.84 0.69 0.00 2.45 1.13 -0.35 -4.79 117.38 111.67 2h3i n GLN 90 Ca 0.07 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.13 2h3i n GLN 90 Cb 0.17 -1.03 0.00 0.00 0.11 0.00 0.00 30.24 29.49 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 -0.44 0.00 -1.70 -1.09 0.63 0.36 -5.00 116.66 109.43 2h3i n ARG 91 Ca 0.00 0.00 -0.55 0.00 -0.92 0.00 0.00 57.85 56.38 2h3i n ARG 91 Cb 0.02 -0.14 -0.07 0.00 0.45 0.00 0.00 32.46 32.72 2h3i n ARG 91 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2h3i n ILE 92 N -0.64 0.34 -1.98 5.15 5.41 0.38 -4.82 119.36 123.19 2h3i n ILE 92 Ca 0.00 -0.06 -0.29 0.00 1.00 0.00 0.00 62.75 63.40 2h3i n ILE 92 Cb 0.00 -1.32 0.03 0.00 -0.71 0.00 0.00 39.64 37.64 2h3i n ILE 92 CO 0.00 0.00 0.00 0.47 0.00 0.00 0.00 176.55 177.02 2h3i n ASP 93 N 5.42 5.82 -3.00 4.38 8.00 -1.26 -2.20 116.55 133.71 2h3i n ASP 93 Ca 0.25 -3.76 -0.29 0.00 0.71 0.00 0.00 54.79 51.70 2h3i n ASP 93 Cb 0.16 -0.61 -0.00 0.00 -0.02 0.00 0.00 41.12 40.65 2h3i n ASP 93 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2h3i n VAL 94 N -0.67 0.48 1.48 2.53 0.24 -1.26 -4.79 118.33 116.34 2h3i n VAL 94 Ca 0.48 -0.35 0.09 0.00 -2.04 0.00 0.00 64.34 62.52 2h3i n VAL 94 Cb 0.72 0.00 0.38 0.00 -1.47 0.00 0.00 33.84 33.47 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 0.93 1.46 -3.70 7.34 5.02 -1.26 -4.66 118.16 123.29 2h3i n LYS 95 Ca 0.08 -0.70 0.04 0.00 -2.02 0.00 0.00 58.31 55.71 2h3i n LYS 95 Cb 0.27 -1.32 0.00 0.00 -0.02 0.00 0.00 35.03 33.96 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 -1.47 -0.00 0.00 4.39 1.47 -1.26 -3.79 116.67 116.00 2h3i s ASP 96 Ca 0.28 -0.01 0.20 0.00 1.18 0.00 0.00 52.55 54.20 2h3i s ASP 96 Cb 0.14 0.01 1.20 0.00 -0.34 0.00 0.00 42.92 43.93 2h3i s ASP 96 CO 0.22 -0.01 1.62 0.41 0.68 0.00 0.00 175.17 178.09 2h3i n THR 97 N -0.64 0.00 -0.05 2.11 -1.04 -1.23 -3.26 114.28 110.18 2h3i n THR 97 Ca -0.05 0.00 -0.01 0.00 -2.04 0.00 0.00 64.05 61.95 2h3i n THR 97 Cb 0.62 -0.56 -0.00 0.00 -1.82 0.00 0.00 70.33 68.57 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 3.11 -1.85 -2.81 116.57 112.19 2h3i h LYS 98 Ca 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2h3i h LYS 98 Cb 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.23 2h3i h LYS 98 CO 0.00 0.00 0.00 0.39 -2.81 0.00 0.00 179.45 177.03 2h3i n GLU 99 N -4.19 0.00 -0.01 1.90 1.02 -1.24 -2.18 120.64 115.94 2h3i n GLU 99 Ca -0.02 0.32 -0.22 0.00 -0.02 0.00 0.00 57.16 57.23 2h3i n GLU 99 Cb 0.07 -1.50 -0.13 0.00 -0.02 0.00 0.00 31.44 29.85 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2h3i h ALA 100 N 2.36 0.37 -0.32 0.62 0.00 -1.68 -2.95 119.26 117.65 2h3i h ALA 100 Ca 0.00 -1.32 -0.14 0.00 0.00 0.00 0.00 54.91 53.45 2h3i h ALA 100 Cb 0.18 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2h3i h ALA 100 CO 0.00 1.14 -0.35 1.25 0.00 0.00 0.00 179.25 181.29 2h3i h LEU 101 N -0.18 0.75 -0.02 0.00 7.12 -1.20 -2.90 115.31 118.88 2h3i h LEU 101 Ca -0.40 -0.32 -0.03 0.00 0.13 0.00 0.00 57.88 57.26 2h3i h LEU 101 Cb 1.87 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.79 2h3i h LEU 101 CO 0.03 1.03 -0.11 -0.78 -0.13 0.00 0.00 178.44 178.48 2h3i h ASP 102 N 0.60 0.12 -0.97 1.25 3.58 -1.61 -1.04 116.42 118.35 2h3i h ASP 102 Ca 0.06 -0.69 0.25 0.00 0.42 0.00 0.00 57.03 57.07 2h3i h ASP 102 Cb 0.88 -0.04 -0.06 0.00 1.72 0.00 0.00 39.33 41.83 2h3i h ASP 102 CO 0.08 0.79 0.66 0.11 -2.88 0.00 0.00 179.24 178.00 2h3i h LYS 103 N -0.53 0.24 0.18 0.28 1.79 -1.55 0.26 116.57 117.24 2h3i h LYS 103 Ca -0.01 -0.01 -0.34 0.00 -2.18 0.00 0.00 60.65 58.10 2h3i h LYS 103 Cb 0.79 -0.05 0.01 0.00 -1.58 0.00 0.00 32.23 31.40 2h3i h LYS 103 CO 0.02 0.16 -1.71 0.82 -1.08 0.00 0.00 179.45 177.67 2h3i h ILE 104 N 0.25 0.95 -0.94 1.86 2.04 -1.51 -2.86 117.51 117.30 2h3i h ILE 104 Ca 0.50 -2.49 -0.01 0.00 1.00 0.00 0.00 64.86 63.86 2h3i h ILE 104 Cb 1.52 2.76 -0.05 0.00 -0.74 0.00 0.00 36.82 40.32 2h3i h ILE 104 CO -0.14 0.84 0.56 -0.08 0.00 0.00 0.00 178.15 179.32 2h3i h GLU 105 N 0.05 1.29 -0.07 2.37 4.57 0.27 0.24 114.58 123.30 2h3i h GLU 105 Ca -0.34 -0.12 -0.24 0.00 -1.18 0.00 0.00 59.36 57.47 2h3i h GLU 105 Cb 2.05 -0.27 0.02 0.00 -0.16 0.00 0.00 28.75 30.39 2h3i h GLU 105 CO 0.16 0.91 -0.92 1.49 -1.18 0.00 0.00 179.01 179.48 2h3i h GLU 106 N 1.30 0.74 -0.61 1.92 4.81 -0.71 -2.01 114.58 120.03 2h3i h GLU 106 Ca 0.34 -0.70 -0.03 0.00 -0.13 0.00 0.00 59.36 58.83 2h3i h GLU 106 Cb -0.04 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2h3i h GLU 106 CO -0.06 1.29 0.25 1.49 -0.73 0.00 0.00 179.01 181.25 2h3i h GLU 107 N 0.44 0.90 -0.01 1.92 4.57 -1.24 0.15 114.58 121.31 2h3i h GLU 107 Ca -0.10 -0.16 -0.14 0.00 -1.18 0.00 0.00 59.36 57.79 2h3i h GLU 107 Cb 1.56 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 29.99 2h3i h GLU 107 CO 0.18 0.76 -0.63 1.96 -1.18 0.00 0.00 179.01 180.11 2h3i h GLN 108 N 0.84 0.05 -0.03 1.92 4.20 -1.01 -2.41 115.11 118.67 2h3i h GLN 108 Ca 0.20 -0.04 -0.24 0.00 0.06 0.00 0.00 58.65 58.64 2h3i h GLN 108 Cb 0.19 0.01 0.01 0.00 0.30 0.00 0.00 27.48 27.99 2h3i h GLN 108 CO -0.02 0.66 -0.95 -0.97 -0.67 0.00 0.00 178.83 176.89 2h3i h ASN 109 N 0.03 0.74 -0.27 1.46 -1.24 -0.99 -3.12 115.58 112.20 2h3i h ASN 109 Ca -0.01 -0.57 -0.06 0.00 0.71 0.00 0.00 56.30 56.37 2h3i h ASN 109 Cb 1.12 -0.22 -0.01 0.00 0.73 0.00 0.00 38.32 39.94 2h3i h ASN 109 CO 0.09 1.37 -0.08 0.50 -1.29 0.00 0.00 177.43 178.01 2h3i h LYS 110 N 0.34 0.53 -0.91 6.67 3.64 -0.67 -3.01 116.57 123.16 2h3i h LYS 110 Ca -0.09 -0.21 0.10 0.00 -1.27 0.00 0.00 60.65 59.18 2h3i h LYS 110 Cb 1.59 -0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 33.31 2h3i h LYS 110 CO 0.18 0.75 0.59 1.03 -2.27 0.00 0.00 179.45 179.73 2h3i h SER 111 N 0.28 0.82 -0.84 4.20 0.87 -1.50 -1.02 113.55 116.36 2h3i h SER 111 Ca 0.07 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.65 2h3i h SER 111 Cb 0.56 -0.14 -0.04 0.00 -0.44 0.00 0.00 62.40 62.34 2h3i h SER 111 CO 0.03 0.47 0.51 0.11 -0.53 0.00 0.00 176.83 177.42 2h3i h LYS 112 N 0.90 1.13 0.00 2.24 1.57 -1.46 -0.68 116.57 120.27 2h3i h LYS 112 Ca 0.43 -0.10 -0.07 0.00 -1.87 0.00 0.00 60.65 59.04 2h3i h LYS 112 Cb 0.43 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 2h3i h LYS 112 CO -0.19 0.79 -0.32 -0.22 -0.57 0.00 0.00 179.45 178.95 2h3i h LYS 113 N 1.15 0.00 -0.66 3.15 1.63 -1.13 -2.86 116.57 117.85 2h3i h LYS 113 Ca 0.30 0.00 -0.42 0.00 -0.85 0.00 0.00 60.65 59.68 2h3i h LYS 113 Cb -0.05 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 31.33 2h3i h LYS 113 CO -0.06 0.32 0.03 1.17 -3.45 0.00 0.00 179.45 177.46 2h3i n LYS 114 N -3.78 2.49 -0.99 1.90 3.00 -0.69 -4.66 118.16 115.44 2h3i n LYS 114 Ca -0.01 -3.43 -0.20 0.00 -0.00 0.00 0.00 58.31 54.67 2h3i n LYS 114 Cb 0.41 -2.07 0.13 0.00 0.00 0.00 0.00 35.03 33.49 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 2h3i n ALA 115 N -0.98 5.04 -2.02 3.14 0.00 -0.35 -4.00 120.51 121.34 2h3i n ALA 115 Ca 0.45 -2.32 -0.06 0.00 0.00 0.00 0.00 53.44 51.51 2h3i n ALA 115 Cb 1.01 -1.38 -0.06 0.00 0.00 0.00 0.00 19.45 19.02 2h3i n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h3i n GLN 116 N -0.75 0.00 0.06 0.00 -0.06 -1.26 -4.92 117.38 110.44 2h3i n GLN 116 Ca 0.47 -0.93 0.00 0.00 -2.00 0.00 0.00 57.00 54.54 2h3i n GLN 116 Cb 1.34 0.43 0.00 0.00 -4.06 0.00 0.00 30.24 27.95 2h3i n GLN 116 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 2h3i n GLN 117 N 0.02 0.00 0.18 3.69 1.13 -1.26 -4.68 117.38 116.46 2h3i n GLN 117 Ca -0.24 0.00 0.02 0.00 -1.94 0.00 0.00 57.00 54.84 2h3i n GLN 117 Cb 0.69 -0.27 0.32 0.00 0.11 0.00 0.00 30.24 31.09 2h3i n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2h3i h ALA 118 N 0.00 1.23 -0.91 -1.58 0.00 -1.94 -2.91 119.26 113.15 2h3i h ALA 118 Ca 0.00 -0.39 -0.55 0.00 0.00 0.00 0.00 54.91 53.98 2h3i h ALA 118 Cb 0.23 -0.07 -0.29 0.00 0.00 0.00 0.00 17.79 17.66 2h3i h ALA 118 CO 0.00 0.53 0.56 0.00 0.00 0.00 0.00 179.25 180.34 2h3i n ALA 119 N -2.43 5.73 0.01 0.00 0.00 -1.26 -4.47 120.51 118.09 2h3i n ALA 119 Ca -0.01 -3.23 -0.01 0.00 0.00 0.00 0.00 53.44 50.18 2h3i n ALA 119 Cb 0.46 -1.42 -0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 -1.02 2.93 -2.94 0.00 0.00 -1.10 -4.89 120.51 113.49 2h3i n ALA 120 Ca 0.57 -0.04 -0.44 0.00 0.00 0.00 0.00 53.44 53.53 2h3i n ALA 120 Cb 1.13 0.40 -0.00 0.00 0.00 0.00 0.00 19.45 20.98 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 -5.41 7.06 1.24 0.00 1.11 -1.25 -5.01 116.67 114.41 2h3i s ASP 121 Ca -0.01 -2.97 -0.16 0.00 0.18 0.00 0.00 52.55 49.58 2h3i s ASP 121 Cb 0.00 -2.40 0.30 0.00 1.07 0.00 0.00 42.92 41.90 2h3i s ASP 121 CO 0.02 -0.76 1.01 0.42 1.18 0.00 0.00 175.17 177.04 2h3i s THR 122 N 1.64 1.74 -1.32 -1.27 -4.23 -1.26 -4.83 115.64 106.11 2h3i s THR 122 Ca 0.43 0.00 -0.15 0.00 -1.18 0.00 0.00 61.69 60.79 2h3i s THR 122 Cb -0.03 -2.14 -0.02 0.00 1.34 0.00 0.00 72.50 71.65 2h3i s THR 122 CO -0.00 0.00 2.25 0.61 -0.54 0.00 0.00 174.62 176.94 2h3i n GLY 123 N 0.66 3.96 2.31 3.99 0.00 -1.26 -4.62 105.19 110.23 2h3i n GLY 123 Ca 0.06 -1.48 -0.22 0.00 0.00 0.00 0.00 46.02 44.38 2h3i n GLY 123 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2h3i n ASN 124 N 6.00 -0.42 -4.57 1.61 5.15 -1.26 -5.09 115.26 116.67 2h3i n ASN 124 Ca 0.54 -2.74 -0.40 0.00 -0.60 0.00 0.00 54.58 51.38 2h3i n ASN 124 Cb 0.36 -0.23 -0.03 0.00 -0.53 0.00 0.00 39.78 39.36 2h3i n ASN 124 CO 0.00 0.00 0.00 0.21 1.40 0.00 0.00 177.26 178.87 2h3i s ASN 125 N -1.06 5.46 -0.36 1.20 2.47 -1.26 -4.83 114.94 116.56 2h3i s ASN 125 Ca 0.34 0.78 0.11 0.00 0.42 0.00 0.00 52.86 54.50 2h3i s ASN 125 Cb 0.16 -2.53 0.45 0.00 -1.45 0.00 0.00 41.25 37.88 2h3i s ASN 125 CO -0.14 -2.14 1.09 -0.24 -3.72 0.00 0.00 177.10 171.94 2h3i n SER 126 N 11.98 3.60 -4.31 -4.21 2.88 -1.26 -5.06 113.62 117.23 2h3i n SER 126 Ca 0.23 -3.29 -0.22 0.00 -1.33 0.00 0.00 58.87 54.25 2h3i n SER 126 Cb 0.50 -0.46 -0.10 0.00 -0.75 0.00 0.00 64.21 63.41 2h3i n SER 126 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2h3i s GLN 127 N -3.48 1.73 -0.51 -1.46 -1.52 -1.26 -5.05 119.66 108.11 2h3i s GLN 127 Ca 0.41 -2.00 0.02 0.00 -1.95 0.00 0.00 55.36 51.84 2h3i s GLN 127 Cb 0.41 -0.70 0.52 0.00 -0.22 0.00 0.00 33.01 33.02 2h3i s GLN 127 CO -0.07 -0.31 1.82 1.33 -0.25 0.00 0.00 175.29 177.80 2h3i n VAL 128 N -0.75 3.23 -1.61 1.09 0.24 -1.26 -5.02 118.33 114.25 2h3i n VAL 128 Ca -0.04 -2.82 -0.33 0.00 -2.04 0.00 0.00 64.34 59.11 2h3i n VAL 128 Cb 0.66 -0.86 0.07 0.00 -1.47 0.00 0.00 33.84 32.23 2h3i n VAL 128 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 2h3i s SER 129 N -2.03 4.73 0.11 -1.34 0.01 -1.26 -5.05 113.70 108.88 2h3i s SER 129 Ca 0.58 2.13 0.08 0.00 1.31 0.00 0.00 55.95 60.05 2h3i s SER 129 Cb 0.47 -2.56 -0.04 0.00 0.21 0.00 0.00 66.02 64.10 2h3i s SER 129 CO 0.03 -1.89 -0.13 -1.10 0.41 0.00 0.00 173.24 170.56 2h3i s GLN 130 N -4.05 1.99 0.03 12.44 -0.21 -1.26 -5.08 119.66 123.53 2h3i s GLN 130 Ca 0.69 -1.10 -0.30 0.00 0.02 0.00 0.00 55.36 54.67 2h3i s GLN 130 Cb -0.24 -2.22 -0.08 0.00 1.00 0.00 0.00 33.01 31.47 2h3i s GLN 130 CO 0.43 0.49 1.80 1.21 -2.12 0.00 0.00 175.29 177.11 2h3i s ASN 131 N -2.23 6.53 0.00 5.90 2.47 -1.26 -5.30 114.94 121.05 2h3i s ASN 131 Ca 0.20 2.54 0.22 0.00 0.42 0.00 0.00 52.86 56.24 2h3i s ASN 131 Cb -0.11 -2.54 1.33 0.00 -1.45 0.00 0.00 41.25 38.48 2h3i s ASN 131 CO 0.12 -0.98 1.70 0.00 -3.72 0.00 0.00 177.10 174.23