#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 0.13 0.00 4.61 0.00 -1.26 -4.96 121.76 120.28 2h3i s ALA 3 Ca 0.00 0.05 0.00 0.00 0.00 0.00 0.00 51.96 52.01 2h3i s ALA 3 Cb 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 23.12 23.01 2h3i s ALA 3 CO 0.00 -0.01 0.00 0.54 0.00 0.00 0.00 175.76 176.29 2h3i n ARG 4 N 3.43 0.00 -1.42 0.00 1.74 -1.26 -4.93 116.66 114.23 2h3i n ARG 4 Ca -0.17 0.00 0.19 0.00 -0.77 0.00 0.00 57.85 57.10 2h3i n ARG 4 Cb 0.56 0.00 -0.05 0.00 -1.02 0.00 0.00 32.46 31.95 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2h3i n ALA 5 N 0.30 -3.66 -3.14 7.54 0.00 -1.26 -4.93 120.51 115.36 2h3i n ALA 5 Ca 0.00 0.44 0.04 0.00 0.00 0.00 0.00 53.44 53.92 2h3i n ALA 5 Cb 0.00 -1.26 -0.00 0.00 0.00 0.00 0.00 19.45 18.18 2h3i n ALA 5 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2h3i s SER 6 N -7.12 -1.28 0.00 0.00 1.04 -1.26 -5.02 113.70 100.05 2h3i s SER 6 Ca 0.00 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.44 2h3i s SER 6 Cb 0.00 1.78 0.00 0.00 0.10 0.00 0.00 66.02 67.90 2h3i s SER 6 CO 0.00 -0.22 0.00 0.52 0.98 0.00 0.00 173.24 174.52 2h3i n VAL 7 N 5.14 0.00 -2.68 5.02 0.31 -1.26 -5.05 118.33 119.81 2h3i n VAL 7 Ca 0.07 0.00 -0.40 0.00 -0.01 0.00 0.00 64.34 63.99 2h3i n VAL 7 Cb 0.56 -0.48 -0.05 0.00 -0.91 0.00 0.00 33.84 32.96 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 -3.89 4.59 0.00 7.52 1.43 -1.26 -5.06 118.68 122.01 2h3i s LEU 8 Ca 0.00 1.99 0.00 0.00 -1.03 0.00 0.00 54.13 55.09 2h3i s LEU 8 Cb 0.00 -3.61 0.00 0.00 0.03 0.00 0.00 46.19 42.61 2h3i s LEU 8 CO 0.00 0.03 0.00 -0.24 0.23 0.00 0.00 176.35 176.37 2h3i n SER 9 N 1.79 0.00 -0.10 2.29 2.88 -1.26 -4.90 113.62 114.33 2h3i n SER 9 Ca -0.01 -0.53 -0.22 0.00 -1.33 0.00 0.00 58.87 56.78 2h3i n SER 9 Cb 0.47 0.00 -0.12 0.00 -0.75 0.00 0.00 64.21 63.81 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 -0.80 0.22 0.46 0.00 -1.26 -3.08 105.19 105.73 2h3i n GLY 10 Ca 0.00 0.08 0.09 0.00 0.00 0.00 0.00 46.02 46.19 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 -0.84 0.00 0.75 -0.02 0.00 -2.01 -3.13 103.07 97.82 2h3i h GLY 11 Ca -0.38 0.00 -0.25 0.00 0.00 0.00 0.00 47.33 46.71 2h3i h GLY 11 CO -0.20 0.00 -1.15 0.83 0.00 0.00 0.00 176.54 176.02 2h3i h GLU 12 N 0.00 0.33 -0.98 4.80 5.08 -1.95 -3.30 114.58 118.55 2h3i h GLU 12 Ca -0.00 -0.56 0.20 0.00 -1.00 0.00 0.00 59.36 58.00 2h3i h GLU 12 Cb 0.65 0.21 -0.11 0.00 0.50 0.00 0.00 28.75 30.00 2h3i h GLU 12 CO 0.03 1.27 0.57 1.25 -1.00 0.00 0.00 179.01 181.13 2h3i h LEU 13 N -0.24 0.70 -1.10 1.33 5.85 -1.49 0.29 115.31 120.65 2h3i h LEU 13 Ca -0.22 0.11 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 2h3i h LEU 13 Cb 1.79 -0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.79 2h3i h LEU 13 CO 0.15 0.20 0.02 -0.78 -0.34 0.00 0.00 178.44 177.69 2h3i h ASP 14 N 0.67 0.62 -0.31 1.25 3.58 -1.66 -2.76 116.42 117.82 2h3i h ASP 14 Ca 0.59 -0.13 -0.17 0.00 0.42 0.00 0.00 57.03 57.74 2h3i h ASP 14 Cb 0.98 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.86 2h3i h ASP 14 CO -0.42 0.68 -0.44 0.11 -2.88 0.00 0.00 179.24 176.29 2h3i h LYS 15 N 0.63 0.88 -0.98 0.28 1.57 -0.56 -2.17 116.57 116.21 2h3i h LYS 15 Ca 0.13 -0.49 0.14 0.00 -1.87 0.00 0.00 60.65 58.56 2h3i h LYS 15 Cb 0.36 0.03 -0.09 0.00 0.08 0.00 0.00 32.23 32.61 2h3i h LYS 15 CO 0.01 1.13 0.60 2.35 -0.57 0.00 0.00 179.45 182.98 2h3i h TRP 16 N 0.71 1.09 0.00 -1.35 2.91 -0.88 0.21 115.95 118.64 2h3i h TRP 16 Ca 0.05 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.10 2h3i h TRP 16 Cb 1.03 -0.34 0.00 0.00 -0.51 0.00 0.00 29.16 29.34 2h3i h TRP 16 CO 0.06 0.38 -0.35 0.39 -1.03 0.00 0.00 178.44 177.89 2h3i n GLU 17 N -4.68 0.14 0.00 2.65 1.02 -1.17 -3.41 120.64 115.19 2h3i n GLU 17 Ca 0.19 0.06 0.13 0.00 -0.02 0.00 0.00 57.16 57.53 2h3i n GLU 17 Cb 0.40 -1.61 0.37 0.00 -0.02 0.00 0.00 31.44 30.59 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 -1.82 0.22 -3.05 3.49 4.81 0.63 -4.17 118.16 118.27 2h3i n LYS 18 Ca 0.05 -0.11 -0.40 0.00 -0.87 0.00 0.00 58.31 56.98 2h3i n LYS 18 Cb 0.39 -1.50 -0.05 0.00 0.02 0.00 0.00 35.03 33.89 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 -2.85 4.87 0.89 3.15 1.01 -0.52 -4.96 121.20 122.78 2h3i s ILE 19 Ca 0.16 1.49 -0.14 0.00 0.00 0.00 0.00 60.65 62.16 2h3i s ILE 19 Cb 0.18 -4.05 0.14 0.00 0.01 0.00 0.00 42.46 38.74 2h3i s ILE 19 CO 0.62 0.34 1.24 -0.13 0.00 0.00 0.00 174.94 177.00 2h3i s ARG 20 N 0.20 1.29 -0.24 2.79 0.52 -1.24 -0.91 118.95 121.36 2h3i s ARG 20 Ca 0.37 -0.11 -0.04 0.00 -0.52 0.00 0.00 55.73 55.43 2h3i s ARG 20 Cb -0.19 -1.89 -0.13 0.00 0.52 0.00 0.00 34.95 33.25 2h3i s ARG 20 CO 0.20 -2.02 -0.25 1.28 0.02 0.00 0.00 175.30 174.53 2h3i n LEU 21 N -3.56 2.48 -4.84 2.53 4.77 0.99 -3.29 117.00 116.08 2h3i n LEU 21 Ca 0.11 0.05 -0.22 0.00 -0.03 0.00 0.00 56.01 55.92 2h3i n LEU 21 Cb 0.60 -0.77 -0.04 0.00 -2.33 0.00 0.00 43.42 40.88 2h3i n LEU 21 CO 0.52 0.74 -0.05 -0.13 -1.33 0.00 0.00 177.39 177.13 2h3i s ARG 22 N -2.46 2.50 -0.02 3.23 0.52 -1.26 -3.53 118.95 117.93 2h3i s ARG 22 Ca -0.32 -1.55 -0.24 0.00 -0.52 0.00 0.00 55.73 53.09 2h3i s ARG 22 Cb 0.10 -2.31 -0.18 0.00 0.52 0.00 0.00 34.95 33.08 2h3i s ARG 22 CO 0.49 -0.12 1.14 -1.00 0.02 0.00 0.00 175.30 175.83 2h3i h PRO 23 N 1.16 -0.18 -0.58 3.54 0.13 -1.94 -3.33 132.00 130.79 2h3i h PRO 23 Ca -0.42 0.01 -0.35 0.00 -0.87 0.00 0.00 66.00 64.37 2h3i h PRO 23 Cb 1.26 0.04 -0.21 0.00 0.13 0.00 0.00 31.00 32.22 2h3i h PRO 23 CO 0.60 0.23 -0.02 0.41 -0.23 0.00 0.00 178.00 178.99 2h3i n GLY 24 N 0.17 5.31 0.00 1.56 0.00 -1.26 -4.93 105.19 106.03 2h3i n GLY 24 Ca -0.09 -1.65 0.00 0.00 0.00 0.00 0.00 46.02 44.28 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 -1.02 3.29 0.00 -0.02 0.00 -1.25 -5.06 105.19 101.12 2h3i n GLY 25 Ca 0.42 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.38 -0.19 -2.50 1.61 5.02 -1.26 -4.92 118.16 115.55 2h3i n LYS 26 Ca 0.00 -0.31 -0.38 0.00 -2.02 0.00 0.00 58.31 55.60 2h3i n LYS 26 Cb 0.00 -0.71 -0.04 0.00 -0.02 0.00 0.00 35.03 34.26 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 2h3i s LYS 27 N -0.06 4.40 0.44 1.97 1.02 -1.26 -4.95 119.74 121.30 2h3i s LYS 27 Ca 0.00 1.67 0.01 0.00 0.02 0.00 0.00 55.97 57.67 2h3i s LYS 27 Cb 0.00 -2.87 0.01 0.00 -0.52 0.00 0.00 37.83 34.45 2h3i s LYS 27 CO 0.00 0.03 0.09 1.04 -0.92 0.00 0.00 175.35 175.59 2h3i n GLN 28 N 0.57 0.91 -3.95 1.68 6.02 -1.26 -0.01 117.38 121.35 2h3i n GLN 28 Ca 0.02 -3.10 -0.27 0.00 -0.01 0.00 0.00 57.00 53.63 2h3i n GLN 28 Cb 0.47 0.71 -0.03 0.00 1.02 0.00 0.00 30.24 32.41 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 -2.50 3.48 0.16 1.08 2.02 -0.08 -4.63 117.35 116.87 2h3i s TYR 29 Ca 0.07 0.14 -0.04 0.00 -0.37 0.00 0.00 57.07 56.87 2h3i s TYR 29 Cb -0.01 -1.68 -0.03 0.00 -0.40 0.00 0.00 41.96 39.85 2h3i s TYR 29 CO 0.04 0.53 0.17 0.21 -1.57 0.00 0.00 175.55 174.94 2h3i s LYS 30 N -3.04 1.10 0.25 -0.62 2.20 -1.26 -4.11 119.74 114.26 2h3i s LYS 30 Ca 0.34 -1.38 -0.06 0.00 -0.36 0.00 0.00 55.97 54.52 2h3i s LYS 30 Cb -0.11 0.31 0.48 0.00 -1.51 0.00 0.00 37.83 36.99 2h3i s LYS 30 CO 0.28 -0.37 1.63 -0.07 -0.36 0.00 0.00 175.35 176.46 2h3i h LEU 31 N 2.67 -0.35 -0.84 5.43 -0.00 -2.00 0.63 115.31 120.86 2h3i h LEU 31 Ca -0.34 0.20 0.27 0.00 -0.00 0.00 0.00 57.88 58.02 2h3i h LEU 31 Cb 1.22 0.36 -0.15 0.00 -0.00 0.00 0.00 40.66 42.08 2h3i h LEU 31 CO 0.53 -0.19 0.15 0.29 -0.00 0.00 0.00 178.44 179.21 2h3i n LYS 32 N -5.35 -0.06 -0.14 1.13 4.01 -1.26 0.15 118.16 116.64 2h3i n LYS 32 Ca 0.15 1.23 -0.10 0.00 -0.51 0.00 0.00 58.31 59.07 2h3i n LYS 32 Cb 0.51 -2.02 -0.01 0.00 -0.51 0.00 0.00 35.03 33.00 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 2h3i h HIS 33 N 0.00 0.72 0.49 2.13 3.86 -1.28 -1.01 115.15 120.06 2h3i h HIS 33 Ca 0.57 -0.11 -0.01 0.00 -1.16 0.00 0.00 60.37 59.66 2h3i h HIS 33 Cb 1.30 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 29.56 2h3i h HIS 33 CO -0.30 0.72 -0.38 0.82 0.86 0.00 0.00 177.93 179.65 2h3i h ILE 34 N 0.52 0.24 -0.06 2.45 2.04 0.14 -0.08 117.51 122.75 2h3i h ILE 34 Ca 0.12 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.01 2h3i h ILE 34 Cb 0.40 0.24 -0.03 0.00 -0.74 0.00 0.00 36.82 36.68 2h3i h ILE 34 CO 0.01 0.00 -0.11 0.58 0.00 0.00 0.00 178.15 178.63 2h3i h VAL 35 N -0.85 0.70 -0.04 1.67 2.07 -1.40 0.29 116.25 118.68 2h3i h VAL 35 Ca -0.05 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.48 2h3i h VAL 35 Cb 0.72 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 31.19 2h3i h VAL 35 CO 0.00 0.00 0.10 -0.25 0.02 0.00 0.00 177.57 177.45 2h3i h TRP 36 N -0.16 0.00 0.00 1.57 7.01 -1.06 -0.76 115.95 122.55 2h3i h TRP 36 Ca 0.06 0.00 -0.12 0.00 2.11 0.00 0.00 58.89 60.94 2h3i h TRP 36 Cb 0.25 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.29 2h3i h TRP 36 CO -0.20 0.00 -0.74 0.00 -2.79 0.00 0.00 178.44 174.71 2h3i h ALA 37 N 1.84 0.14 -0.12 2.65 0.00 0.65 -3.29 119.26 121.12 2h3i h ALA 37 Ca 0.02 -0.83 0.04 0.00 0.00 0.00 0.00 54.91 54.14 2h3i h ALA 37 Cb 0.23 0.47 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 2h3i h ALA 37 CO -0.00 0.45 0.12 0.66 0.00 0.00 0.00 179.25 180.49 2h3i h SER 38 N -1.00 0.00 1.22 0.00 4.64 -0.15 0.30 113.55 118.56 2h3i h SER 38 Ca -0.18 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.14 2h3i h SER 38 Cb 0.99 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2h3i h SER 38 CO -0.11 0.00 -0.03 -1.14 -0.87 0.00 0.00 176.83 174.68 2h3i n ARG 39 N -3.97 0.14 -0.01 4.77 0.63 -0.32 -3.52 116.66 114.37 2h3i n ARG 39 Ca 0.00 0.11 -0.17 0.00 -0.92 0.00 0.00 57.85 56.87 2h3i n ARG 39 Cb 0.24 -1.65 -0.14 0.00 0.45 0.00 0.00 32.46 31.35 2h3i n ARG 39 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2h3i n GLU 40 N -1.89 0.72 -0.11 -0.14 0.00 0.10 -4.26 120.64 115.06 2h3i n GLU 40 Ca 0.06 0.26 -0.06 0.00 0.00 0.00 0.00 57.16 57.42 2h3i n GLU 40 Cb 0.39 -1.72 0.02 0.00 0.00 0.00 0.00 31.44 30.13 2h3i n GLU 40 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.13 177.06 2h3i h LEU 41 N 0.05 0.11 -1.67 4.31 3.38 -1.48 -0.93 115.31 119.08 2h3i h LEU 41 Ca -0.40 0.05 0.23 0.00 0.09 0.00 0.00 57.88 57.85 2h3i h LEU 41 Cb 2.03 0.04 -0.06 0.00 0.09 0.00 0.00 40.66 42.76 2h3i h LEU 41 CO 0.07 0.10 0.61 -0.08 0.09 0.00 0.00 178.44 179.24 2h3i h GLU 42 N 0.27 0.25 0.05 1.13 4.81 -1.54 0.32 114.58 119.87 2h3i h GLU 42 Ca 0.18 -0.02 -0.23 0.00 -0.13 0.00 0.00 59.36 59.16 2h3i h GLU 42 Cb 0.17 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.48 2h3i h GLU 42 CO -0.19 0.17 -1.07 -0.09 -0.73 0.00 0.00 179.01 177.10 2h3i h ARG 43 N 0.26 0.14 -0.99 1.92 2.43 -1.39 -3.23 114.38 113.53 2h3i h ARG 43 Ca 0.46 -0.22 -0.15 0.00 -0.81 0.00 0.00 59.98 59.26 2h3i h ARG 43 Cb 1.38 0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 30.92 2h3i h ARG 43 CO -0.13 1.07 0.19 1.19 -1.51 0.00 0.00 179.97 180.79 2h3i n PHE 44 N -3.48 0.95 -1.34 2.20 3.01 0.82 -4.80 117.46 114.82 2h3i n PHE 44 Ca -0.04 -0.87 -0.13 0.00 1.01 0.00 0.00 57.45 57.42 2h3i n PHE 44 Cb 0.94 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.91 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 -0.00 -0.20 -3.12 4.37 0.00 -1.06 -4.92 120.51 115.58 2h3i n ALA 45 Ca 0.18 0.21 -0.38 0.00 0.00 0.00 0.00 53.44 53.46 2h3i n ALA 45 Cb 0.85 -1.58 -0.12 0.00 0.00 0.00 0.00 19.45 18.60 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 -2.08 4.08 0.28 0.00 1.01 0.50 -5.00 120.40 119.18 2h3i s VAL 46 Ca 0.00 -0.69 -0.30 0.00 0.00 0.00 0.00 61.98 60.99 2h3i s VAL 46 Cb 0.00 -3.12 -0.13 0.00 0.00 0.00 0.00 36.38 33.13 2h3i s VAL 46 CO 0.00 0.04 1.32 0.59 0.00 0.00 0.00 175.10 177.05 2h3i n ASN 47 N 4.89 2.56 0.00 3.32 3.02 -1.26 -2.27 115.26 125.52 2h3i n ASN 47 Ca -0.14 1.17 0.07 0.00 -0.03 0.00 0.00 54.58 55.65 2h3i n ASN 47 Cb 0.48 -1.43 0.40 0.00 -0.61 0.00 0.00 39.78 38.62 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 1.35 0.29 0.07 3.52 -0.04 -1.26 -2.69 135.00 136.24 2h3i n PRO 48 Ca 0.09 0.10 -0.09 0.00 -0.04 0.00 0.00 63.50 63.57 2h3i n PRO 48 Cb 0.33 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.18 2h3i n PRO 48 CO 0.00 0.00 0.00 0.78 -0.04 0.00 0.00 175.50 176.24 2h3i h GLY 49 N 2.46 0.07 1.23 0.55 0.00 -1.96 -3.23 103.07 102.18 2h3i h GLY 49 Ca 0.00 -0.18 0.03 0.00 0.00 0.00 0.00 47.33 47.19 2h3i h GLY 49 CO 0.00 0.15 0.36 1.41 0.00 0.00 0.00 176.54 178.46 2h3i h LEU 50 N 0.02 0.00 -2.45 3.11 3.38 -1.84 0.15 115.31 117.68 2h3i h LEU 50 Ca -0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.93 2h3i h LEU 50 Cb 1.78 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.53 2h3i h LEU 50 CO 0.14 0.00 0.02 -0.07 0.09 0.00 0.00 178.44 178.62 2h3i h LEU 51 N 0.00 0.00 -3.90 1.67 3.38 -1.78 -0.34 115.31 114.34 2h3i h LEU 51 Ca 0.05 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.53 2h3i h LEU 51 Cb 0.76 0.00 -0.28 0.00 0.09 0.00 0.00 40.66 41.23 2h3i h LEU 51 CO -0.00 0.00 0.55 -1.84 0.09 0.00 0.00 178.44 177.24 2h3i n GLU 52 N -2.81 2.26 -3.26 1.13 -0.00 0.53 -4.81 120.64 113.69 2h3i n GLU 52 Ca -0.02 -3.09 -0.03 0.00 -0.00 0.00 0.00 57.16 54.01 2h3i n GLU 52 Cb 0.08 -2.14 -0.04 0.00 -0.00 0.00 0.00 31.44 29.33 2h3i n GLU 52 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.13 178.08 2h3i s THR 53 N -3.51 -0.78 0.58 3.84 -4.23 -0.14 -5.01 115.64 106.39 2h3i s THR 53 Ca 0.56 -0.09 0.28 0.00 -1.18 0.00 0.00 61.69 61.27 2h3i s THR 53 Cb 0.47 -0.93 0.38 0.00 1.34 0.00 0.00 72.50 73.77 2h3i s THR 53 CO 0.08 -0.10 1.95 0.77 -0.54 0.00 0.00 174.62 176.77 2h3i h SER 54 N 8.10 0.00 1.21 3.99 4.64 -1.87 0.52 113.55 130.14 2h3i h SER 54 Ca -0.16 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.04 2h3i h SER 54 Cb 1.15 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 63.23 2h3i h SER 54 CO 0.25 0.00 -0.83 -0.08 -0.87 0.00 0.00 176.83 175.30 2h3i h GLU 55 N 0.00 0.00 -0.00 4.77 4.81 -1.95 -3.29 114.58 118.93 2h3i h GLU 55 Ca 0.20 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.43 2h3i h GLU 55 Cb 1.04 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.42 2h3i h GLU 55 CO -0.00 0.40 -0.58 0.41 -0.73 0.00 0.00 179.01 178.51 2h3i n GLY 56 N 1.28 -1.14 0.11 1.92 0.00 0.16 -4.06 105.19 103.46 2h3i n GLY 56 Ca -0.02 -0.41 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 2h3i n GLY 56 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2h3i h ARG 58 N 0.06 0.47 -0.28 0.00 2.43 -1.70 0.11 114.38 115.47 2h3i h ARG 58 Ca -0.24 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 58.92 2h3i h ARG 58 Cb 2.00 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 31.43 2h3i h ARG 58 CO 0.16 0.31 0.19 1.96 -1.51 0.00 0.00 179.97 181.07 2h3i h GLN 59 N 0.49 0.30 -0.41 0.20 1.08 -1.77 -1.32 115.11 113.68 2h3i h GLN 59 Ca 0.40 -0.02 -0.04 0.00 -1.45 0.00 0.00 58.65 57.54 2h3i h GLN 59 Cb 0.83 -0.07 -0.02 0.00 -0.05 0.00 0.00 27.48 28.18 2h3i h GLN 59 CO -0.14 0.20 0.09 0.82 -0.95 0.00 0.00 178.83 178.85 2h3i h ILE 60 N 0.31 1.19 0.00 2.54 2.04 -0.96 -1.83 117.51 120.79 2h3i h ILE 60 Ca 0.11 -0.67 0.00 0.00 1.00 0.00 0.00 64.86 65.30 2h3i h ILE 60 Cb 0.06 0.78 0.00 0.00 -0.74 0.00 0.00 36.82 36.92 2h3i h ILE 60 CO -0.02 0.24 -0.00 -0.07 0.00 0.00 0.00 178.15 178.30 2h3i h LEU 61 N 0.59 0.00 -0.59 1.44 3.38 -1.29 -3.21 115.31 115.62 2h3i h LEU 61 Ca 0.14 -0.00 -0.07 0.00 0.09 0.00 0.00 57.88 58.04 2h3i h LEU 61 Cb 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.98 2h3i h LEU 61 CO -0.00 0.00 -0.32 1.23 0.09 0.00 0.00 178.44 179.44 2h3i h GLY 62 N 4.01 0.00 1.10 0.83 0.00 -0.85 0.56 103.07 108.73 2h3i h GLY 62 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2h3i h GLY 62 CO 0.00 0.00 -0.30 -1.06 0.00 0.00 0.00 176.54 175.18 2h3i n GLN 63 N -3.32 0.22 -0.02 4.80 6.02 -1.11 -4.04 117.38 119.94 2h3i n GLN 63 Ca 0.01 -0.10 -0.02 0.00 -0.01 0.00 0.00 57.00 56.88 2h3i n GLN 63 Cb 0.56 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.30 2h3i n GLN 63 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 2h3i n LEU 64 N -1.30 0.11 0.00 1.08 4.77 -1.12 -4.56 117.00 115.97 2h3i n LEU 64 Ca 0.08 -0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 2h3i n LEU 64 Cb 0.33 0.07 -0.08 0.00 -2.33 0.00 0.00 43.42 41.40 2h3i n LEU 64 CO 0.30 0.09 0.54 -0.61 -1.33 0.00 0.00 177.39 176.38 2h3i h GLN 65 N 0.00 -0.54 0.00 3.23 4.15 -0.01 0.47 115.11 122.40 2h3i h GLN 65 Ca -0.08 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2h3i h GLN 65 Cb 1.19 0.12 0.00 0.00 0.21 0.00 0.00 27.48 29.00 2h3i h GLN 65 CO 0.00 -0.36 0.00 -0.35 -1.93 0.00 0.00 178.83 176.19 2h3i n PRO 66 N -5.44 0.32 -0.00 -2.39 -0.04 -1.26 -1.90 135.00 124.29 2h3i n PRO 66 Ca -0.05 0.09 0.06 0.00 -0.04 0.00 0.00 63.50 63.56 2h3i n PRO 66 Cb 0.38 -1.50 -0.08 0.00 -0.04 0.00 0.00 33.50 32.26 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 -1.17 0.68 0.24 3.54 7.64 0.60 -4.45 113.62 120.70 2h3i n SER 67 Ca 0.09 -0.77 0.17 0.00 1.01 0.00 0.00 58.87 59.37 2h3i n SER 67 Cb 0.09 1.03 0.88 0.00 -1.01 0.00 0.00 64.21 65.21 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 -0.49 -3.43 3.38 0.48 0.31 115.31 115.55 2h3i h LEU 68 Ca 0.00 0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.07 2h3i h LEU 68 Cb 0.32 0.00 -0.08 0.00 0.09 0.00 0.00 40.66 40.99 2h3i h LEU 68 CO 0.00 0.00 0.00 -0.61 0.09 0.00 0.00 178.44 177.92 2h3i h GLN 69 N 0.00 0.11 -0.52 1.13 4.15 -1.78 -3.30 115.11 114.90 2h3i h GLN 69 Ca 0.06 -0.01 -0.27 0.00 0.77 0.00 0.00 58.65 59.20 2h3i h GLN 69 Cb 0.37 -0.03 -0.33 0.00 0.21 0.00 0.00 27.48 27.70 2h3i h GLN 69 CO -0.00 0.07 -0.94 2.41 -1.93 0.00 0.00 178.83 178.45 2h3i n THR 70 N -5.23 0.84 -2.98 2.39 -1.04 -0.84 -5.11 114.28 102.31 2h3i n THR 70 Ca 0.05 -2.53 -0.40 0.00 -2.04 0.00 0.00 64.05 59.14 2h3i n THR 70 Cb 0.27 1.00 -0.05 0.00 -1.82 0.00 0.00 70.33 69.73 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 -2.87 2.81 1.01 3.41 0.00 0.10 -5.04 107.32 106.74 2h3i s GLY 71 Ca 0.24 0.29 -0.14 0.00 0.00 0.00 0.00 44.72 45.11 2h3i s GLY 71 CO -0.03 1.05 0.34 -1.14 0.00 0.00 0.00 173.10 173.32 2h3i n SER 72 N 2.58 -2.04 -0.32 1.64 3.41 -1.26 -4.64 113.62 112.98 2h3i n SER 72 Ca -0.03 0.18 0.19 0.00 -0.26 0.00 0.00 58.87 58.95 2h3i n SER 72 Cb 0.50 -1.15 0.40 0.00 -0.26 0.00 0.00 64.21 63.70 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 -1.78 0.26 -0.58 4.33 4.57 -2.00 0.26 114.58 119.65 2h3i h GLU 73 Ca -0.47 -0.02 0.11 0.00 -1.18 0.00 0.00 59.36 57.80 2h3i h GLU 73 Cb 1.31 -0.06 -0.09 0.00 -0.16 0.00 0.00 28.75 29.75 2h3i h GLU 73 CO 0.36 0.17 0.07 0.93 -1.18 0.00 0.00 179.01 179.36 2h3i h GLU 74 N 0.27 0.18 -0.78 1.92 5.08 -1.99 0.11 114.58 119.37 2h3i h GLU 74 Ca 0.66 -0.01 0.09 0.00 -1.00 0.00 0.00 59.36 59.10 2h3i h GLU 74 Cb 1.44 -0.04 -0.05 0.00 0.50 0.00 0.00 28.75 30.60 2h3i h GLU 74 CO -0.64 0.12 0.51 1.25 -1.00 0.00 0.00 179.01 179.25 2h3i h LEU 75 N 0.19 0.65 -0.51 1.33 6.46 -0.75 0.75 115.31 123.43 2h3i h LEU 75 Ca 0.30 0.01 -0.13 0.00 -0.12 0.00 0.00 57.88 57.95 2h3i h LEU 75 Cb 0.46 -0.12 -0.02 0.00 -0.73 0.00 0.00 40.66 40.25 2h3i h LEU 75 CO -0.43 0.39 -0.60 0.03 -0.62 0.00 0.00 178.44 177.20 2h3i h ARG 76 N 0.72 0.00 0.00 1.25 -0.00 -0.75 -1.75 114.38 113.85 2h3i h ARG 76 Ca 0.36 0.00 -0.12 0.00 -0.50 0.00 0.00 59.98 59.72 2h3i h ARG 76 Cb 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 29.97 30.38 2h3i h ARG 76 CO -0.13 0.60 -0.57 0.77 0.00 0.00 0.00 179.97 180.64 2h3i h SER 77 N 0.00 0.00 0.00 7.04 0.02 0.89 -3.25 113.55 118.25 2h3i h SER 77 Ca -0.01 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2h3i h SER 77 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 2h3i h SER 77 CO 0.08 0.57 -0.19 -0.07 -1.14 0.00 0.00 176.83 176.07 2h3i h LEU 78 N 0.00 0.00 -0.89 5.07 -0.00 -0.88 -3.32 115.31 115.30 2h3i h LEU 78 Ca -0.01 0.00 0.16 0.00 -0.00 0.00 0.00 57.88 58.03 2h3i h LEU 78 Cb 1.41 0.00 -0.16 0.00 -0.00 0.00 0.00 40.66 41.91 2h3i h LEU 78 CO 0.07 0.45 -0.29 0.00 -0.00 0.00 0.00 178.44 178.67 2h3i n TYR 79 N -3.92 0.17 0.00 1.13 9.36 -0.67 0.56 117.16 123.79 2h3i n TYR 79 Ca -0.03 1.09 -0.13 0.00 3.32 0.00 0.00 57.90 62.16 2h3i n TYR 79 Cb 0.10 -0.92 -0.06 0.00 -0.63 0.00 0.00 39.34 37.82 2h3i n TYR 79 CO 0.00 0.00 0.00 -0.91 0.22 0.00 0.00 176.86 176.17 2h3i h ASN 80 N 0.00 -1.35 0.32 2.98 4.21 -1.75 0.04 115.58 120.04 2h3i h ASN 80 Ca 0.37 0.18 -0.02 0.00 1.21 0.00 0.00 56.30 58.04 2h3i h ASN 80 Cb 0.59 0.54 0.00 0.00 -1.12 0.00 0.00 38.32 38.34 2h3i h ASN 80 CO -0.90 -0.43 -0.15 0.74 -1.29 0.00 0.00 177.43 175.39 2h3i h THR 81 N -0.50 0.70 -0.87 2.81 2.02 -0.61 -3.12 112.91 113.33 2h3i h THR 81 Ca 0.07 -0.38 0.18 0.00 0.77 0.00 0.00 66.41 67.05 2h3i h THR 81 Cb 0.63 0.90 -0.16 0.00 -1.74 0.00 0.00 68.15 67.78 2h3i h THR 81 CO -0.40 0.08 -0.17 0.40 0.37 0.00 0.00 175.52 175.80 2h3i h ILE 82 N -0.64 0.13 -0.21 3.11 2.04 0.34 -0.17 117.51 122.12 2h3i h ILE 82 Ca -0.04 -0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.86 2h3i h ILE 82 Cb 0.46 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.59 2h3i h ILE 82 CO 0.07 0.00 -0.49 0.00 0.00 0.00 0.00 178.15 177.73 2h3i h ALA 83 N 1.87 -0.71 -0.69 1.87 0.00 -0.93 -1.31 119.26 119.35 2h3i h ALA 83 Ca 0.44 -0.02 0.14 0.00 0.00 0.00 0.00 54.91 55.48 2h3i h ALA 83 Cb 0.71 0.94 -0.10 0.00 0.00 0.00 0.00 17.79 19.33 2h3i h ALA 83 CO -0.88 -1.00 0.15 0.28 0.00 0.00 0.00 179.25 177.79 2h3i h VAL 84 N -0.50 0.54 -0.40 0.00 2.07 -1.05 0.38 116.25 117.31 2h3i h VAL 84 Ca 0.07 -0.09 0.11 0.00 0.82 0.00 0.00 66.70 67.62 2h3i h VAL 84 Cb 0.64 0.27 -0.02 0.00 -1.52 0.00 0.00 31.29 30.66 2h3i h VAL 84 CO -0.47 0.05 0.60 0.25 0.02 0.00 0.00 177.57 178.02 2h3i h LEU 85 N 0.25 0.00 0.03 2.57 6.46 -0.62 0.11 115.31 124.12 2h3i h LEU 85 Ca 0.38 0.00 -0.11 0.00 -0.12 0.00 0.00 57.88 58.03 2h3i h LEU 85 Cb 0.63 0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.55 2h3i h LEU 85 CO -0.49 0.00 -0.58 0.22 -0.62 0.00 0.00 178.44 176.97 2h3i h TYR 86 N 0.00 0.12 0.00 1.25 3.20 -0.06 -3.27 116.97 118.21 2h3i h TYR 86 Ca 0.19 -0.09 -0.02 0.00 3.14 0.00 0.00 58.73 61.95 2h3i h TYR 86 Cb 1.39 -0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.65 2h3i h TYR 86 CO 0.00 1.23 -0.10 0.00 -1.64 0.00 0.00 178.16 177.65 2h3i h VAL 88 N 0.00 1.38 0.07 0.00 2.07 -1.00 0.32 116.25 119.09 2h3i h VAL 88 Ca -0.00 -1.90 -0.31 0.00 0.82 0.00 0.00 66.70 65.31 2h3i h VAL 88 Cb 0.28 1.96 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2h3i h VAL 88 CO 0.01 0.56 -1.69 1.41 0.02 0.00 0.00 177.57 177.88 2h3i n HIS 89 N -3.90 1.14 1.65 1.57 -0.00 -0.77 -4.01 115.22 110.90 2h3i n HIS 89 Ca -0.02 0.34 0.12 0.00 -0.00 0.00 0.00 57.72 58.16 2h3i n HIS 89 Cb 0.59 -1.13 0.74 0.00 -0.00 0.00 0.00 29.99 30.18 2h3i n HIS 89 CO 0.00 0.00 0.00 0.94 -0.00 0.00 0.00 176.34 177.28 2h3i n GLN 90 N -3.90 0.82 -3.45 -0.41 -0.06 -0.10 -4.88 117.38 105.40 2h3i n GLN 90 Ca -0.32 0.00 -0.19 0.00 -2.00 0.00 0.00 57.00 54.49 2h3i n GLN 90 Cb 0.89 -1.47 0.08 0.00 -4.06 0.00 0.00 30.24 25.68 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2h3i n ARG 91 N -0.97 -6.89 -3.39 3.69 3.00 -0.68 -4.97 116.66 106.45 2h3i n ARG 91 Ca 0.19 0.82 -0.42 0.00 -0.00 0.00 0.00 57.85 58.44 2h3i n ARG 91 Cb 0.09 -5.78 -0.09 0.00 0.00 0.00 0.00 32.46 26.67 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 -3.34 5.16 0.22 5.15 1.01 0.10 -5.03 121.20 124.48 2h3i s ILE 92 Ca 0.19 -0.29 -0.31 0.00 0.00 0.00 0.00 60.65 60.25 2h3i s ILE 92 Cb -0.08 -3.93 -0.15 0.00 0.01 0.00 0.00 42.46 38.31 2h3i s ILE 92 CO 0.71 -0.27 1.14 0.47 0.00 0.00 0.00 174.94 176.99 2h3i n ASP 93 N 5.41 1.49 -3.72 3.58 8.00 -1.26 -4.69 116.55 125.36 2h3i n ASP 93 Ca -0.09 1.15 -0.12 0.00 0.71 0.00 0.00 54.79 56.44 2h3i n ASP 93 Cb 0.48 -1.26 -0.10 0.00 -0.02 0.00 0.00 41.12 40.21 2h3i n ASP 93 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 2h3i s VAL 94 N -0.44 -0.01 -1.07 2.53 -7.23 -1.26 -4.79 120.40 108.12 2h3i s VAL 94 Ca 0.68 0.03 0.14 0.00 -1.81 0.00 0.00 61.98 61.03 2h3i s VAL 94 Cb -0.78 -0.59 -0.07 0.00 0.56 0.00 0.00 36.38 35.50 2h3i s VAL 94 CO 0.54 0.01 0.72 0.29 -0.31 0.00 0.00 175.10 176.36 2h3i n LYS 95 N 3.38 2.01 -3.64 4.82 5.02 -1.26 -4.78 118.16 123.71 2h3i n LYS 95 Ca -0.17 -0.45 -0.01 0.00 -2.02 0.00 0.00 58.31 55.66 2h3i n LYS 95 Cb 0.56 -1.20 -0.01 0.00 -0.02 0.00 0.00 35.03 34.36 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 -2.01 -0.11 0.09 4.39 1.47 -1.26 -3.68 116.67 115.56 2h3i s ASP 96 Ca 0.09 -0.18 -0.19 0.00 1.18 0.00 0.00 52.55 53.46 2h3i s ASP 96 Cb 0.11 0.25 -0.05 0.00 -0.34 0.00 0.00 42.92 42.90 2h3i s ASP 96 CO 0.46 -0.46 1.32 0.74 0.68 0.00 0.00 175.17 177.91 2h3i h THR 97 N 2.00 0.00 -0.59 2.11 2.02 -1.59 -0.19 112.91 116.66 2h3i h THR 97 Ca -0.26 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.04 2h3i h THR 97 Cb 1.21 0.00 -0.12 0.00 -1.74 0.00 0.00 68.15 67.50 2h3i h THR 97 CO 0.27 0.00 -0.26 0.50 0.37 0.00 0.00 175.52 176.40 2h3i h LYS 98 N -0.07 -0.10 -1.13 6.66 3.11 -1.91 0.33 116.57 123.47 2h3i h LYS 98 Ca 0.08 0.01 0.35 0.00 -2.81 0.00 0.00 60.65 58.28 2h3i h LYS 98 Cb 0.28 0.02 -0.13 0.00 -1.00 0.00 0.00 32.23 31.40 2h3i h LYS 98 CO -0.50 -0.07 0.70 1.49 -2.81 0.00 0.00 179.45 178.26 2h3i h GLU 99 N -0.10 0.23 0.19 1.90 4.57 -1.44 0.39 114.58 120.32 2h3i h GLU 99 Ca 0.26 -0.01 -0.29 0.00 -1.18 0.00 0.00 59.36 58.14 2h3i h GLU 99 Cb 0.52 -0.05 0.03 0.00 -0.16 0.00 0.00 28.75 29.09 2h3i h GLU 99 CO -0.66 0.15 -1.24 0.00 -1.18 0.00 0.00 179.01 176.09 2h3i h ALA 100 N 1.70 -0.11 0.84 2.92 0.00 0.20 -3.03 119.26 121.78 2h3i h ALA 100 Ca 0.74 -0.79 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 2h3i h ALA 100 Cb 1.99 0.14 0.01 0.00 0.00 0.00 0.00 17.79 19.93 2h3i h ALA 100 CO -0.46 0.60 -0.40 1.25 0.00 0.00 0.00 179.25 180.24 2h3i h LEU 101 N 0.04 -0.95 -0.79 0.00 7.12 0.12 -2.93 115.31 117.92 2h3i h LEU 101 Ca -0.21 0.02 0.14 0.00 0.13 0.00 0.00 57.88 57.97 2h3i h LEU 101 Cb 1.96 0.25 -0.09 0.00 -0.53 0.00 0.00 40.66 42.24 2h3i h LEU 101 CO 0.23 -0.64 0.36 0.44 -0.13 0.00 0.00 178.44 178.70 2h3i h ASP 102 N -1.19 0.39 -0.37 1.25 3.32 -0.77 0.27 116.42 119.32 2h3i h ASP 102 Ca -0.12 0.10 0.11 0.00 0.02 0.00 0.00 57.03 57.14 2h3i h ASP 102 Cb 0.87 0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.45 2h3i h ASP 102 CO 0.19 0.16 0.39 0.11 -1.72 0.00 0.00 179.24 178.37 2h3i h LYS 103 N 0.52 0.00 0.00 3.56 1.79 -1.40 0.33 116.57 121.38 2h3i h LYS 103 Ca 0.43 0.00 -0.19 0.00 -2.18 0.00 0.00 60.65 58.71 2h3i h LYS 103 Cb 0.62 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.24 2h3i h LYS 103 CO -0.38 0.00 -1.41 0.82 -1.08 0.00 0.00 179.45 177.41 2h3i h ILE 104 N 0.00 0.62 0.19 1.86 2.04 -0.30 -3.31 117.51 118.61 2h3i h ILE 104 Ca 0.18 -2.18 -0.31 0.00 1.00 0.00 0.00 64.86 63.55 2h3i h ILE 104 Cb 0.96 2.15 0.02 0.00 -0.74 0.00 0.00 36.82 39.22 2h3i h ILE 104 CO -0.00 0.35 -1.36 -0.08 0.00 0.00 0.00 178.15 177.06 2h3i h GLU 105 N 0.00 0.42 -0.63 2.37 4.81 0.19 -3.31 114.58 118.43 2h3i h GLU 105 Ca -0.17 -0.71 -0.01 0.00 -0.13 0.00 0.00 59.36 58.33 2h3i h GLU 105 Cb 1.66 0.26 -0.03 0.00 0.63 0.00 0.00 28.75 31.28 2h3i h GLU 105 CO 0.06 1.34 0.34 1.49 -0.73 0.00 0.00 179.01 181.50 2h3i h GLU 106 N 0.12 0.89 -0.25 1.92 4.57 -0.73 0.24 114.58 121.34 2h3i h GLU 106 Ca -0.20 -0.11 0.07 0.00 -1.18 0.00 0.00 59.36 57.95 2h3i h GLU 106 Cb 2.06 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 30.47 2h3i h GLU 106 CO 0.24 0.68 0.20 0.93 -1.18 0.00 0.00 179.01 179.89 2h3i h GLU 107 N 0.86 0.00 0.02 1.92 3.07 -1.66 0.53 114.58 119.33 2h3i h GLU 107 Ca 0.22 0.00 -0.32 0.00 -0.50 0.00 0.00 59.36 58.76 2h3i h GLU 107 Cb 0.06 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 27.92 2h3i h GLU 107 CO -0.03 0.00 -1.93 0.94 -1.40 0.00 0.00 179.01 176.58 2h3i n GLN 108 N -4.22 0.66 -0.17 2.33 7.27 -0.74 -4.23 117.38 118.28 2h3i n GLN 108 Ca 0.03 0.22 -0.10 0.00 0.07 0.00 0.00 57.00 57.22 2h3i n GLN 108 Cb 0.35 -1.71 0.02 0.00 2.41 0.00 0.00 30.24 31.31 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.97 0.07 0.00 0.00 177.06 176.16 2h3i h ASN 109 N 0.01 1.01 -0.83 1.69 -1.24 0.49 -2.86 115.58 113.85 2h3i h ASN 109 Ca -0.38 -0.35 0.18 0.00 0.71 0.00 0.00 56.30 56.46 2h3i h ASN 109 Cb 2.06 -0.28 -0.06 0.00 0.73 0.00 0.00 38.32 40.78 2h3i h ASN 109 CO 0.06 1.15 0.56 0.50 -1.29 0.00 0.00 177.43 178.40 2h3i h LYS 110 N 0.88 0.36 0.07 6.67 1.63 -1.11 -1.23 116.57 123.84 2h3i h LYS 110 Ca 0.13 -0.02 -0.00 0.00 -0.85 0.00 0.00 60.65 59.90 2h3i h LYS 110 Cb 0.72 -0.08 0.00 0.00 -0.60 0.00 0.00 32.23 32.27 2h3i h LYS 110 CO 0.06 0.24 -0.03 1.03 -3.45 0.00 0.00 179.45 177.29 2h3i h SER 111 N 0.37 -0.08 -0.80 4.20 0.87 -1.69 -2.74 113.55 113.67 2h3i h SER 111 Ca 0.42 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.92 2h3i h SER 111 Cb 1.07 0.02 -0.04 0.00 -0.44 0.00 0.00 62.40 63.02 2h3i h SER 111 CO -0.14 0.00 0.49 0.11 -0.53 0.00 0.00 176.83 176.77 2h3i h LYS 112 N -0.16 1.10 -0.10 2.24 1.79 -1.33 -1.37 116.57 118.74 2h3i h LYS 112 Ca -0.01 -0.09 0.03 0.00 -2.18 0.00 0.00 60.65 58.39 2h3i h LYS 112 Cb 0.13 -0.23 -0.00 0.00 -1.58 0.00 0.00 32.23 30.55 2h3i h LYS 112 CO 0.02 0.76 0.10 0.87 -1.08 0.00 0.00 179.45 180.12 2h3i h LYS 113 N 1.12 0.00 -0.90 3.15 1.79 -1.09 0.42 116.57 121.05 2h3i h LYS 113 Ca 0.29 0.00 -0.33 0.00 -2.18 0.00 0.00 60.65 58.43 2h3i h LYS 113 Cb -0.05 0.00 -0.20 0.00 -1.58 0.00 0.00 32.23 30.40 2h3i h LYS 113 CO -0.06 0.00 0.42 1.17 -1.08 0.00 0.00 179.45 179.90 2h3i n LYS 114 N -3.94 2.70 -1.04 3.15 4.81 -0.52 -4.14 118.16 119.19 2h3i n LYS 114 Ca -0.01 -2.64 0.05 0.00 -0.87 0.00 0.00 58.31 54.84 2h3i n LYS 114 Cb 0.21 -2.06 0.12 0.00 0.02 0.00 0.00 35.03 33.32 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h3i n ALA 115 N -0.53 3.07 -2.50 3.14 0.00 0.14 -4.77 120.51 119.05 2h3i n ALA 115 Ca 0.44 -2.87 -0.02 0.00 0.00 0.00 0.00 53.44 51.00 2h3i n ALA 115 Cb 1.40 -0.53 0.07 0.00 0.00 0.00 0.00 19.45 20.39 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 -0.37 0.79 0.12 0.00 7.27 -1.26 -4.97 117.38 118.96 2h3i n GLN 116 Ca 0.13 -0.79 -0.02 0.00 0.07 0.00 0.00 57.00 56.39 2h3i n GLN 116 Cb 0.90 0.32 0.11 0.00 2.41 0.00 0.00 30.24 33.98 2h3i n GLN 116 CO 0.00 0.00 0.00 0.37 0.07 0.00 0.00 177.06 177.50 2h3i h GLN 117 N 0.57 0.00 -0.79 3.69 4.15 -1.86 -3.10 115.11 117.77 2h3i h GLN 117 Ca -0.31 0.00 -0.35 0.00 0.77 0.00 0.00 58.65 58.76 2h3i h GLN 117 Cb 1.19 0.00 -0.21 0.00 0.21 0.00 0.00 27.48 28.67 2h3i h GLN 117 CO -0.14 0.68 0.40 0.00 -1.93 0.00 0.00 178.83 177.84 2h3i n ALA 118 N -2.37 4.98 -2.69 3.38 0.00 -1.26 -4.35 120.51 118.19 2h3i n ALA 118 Ca -0.01 -2.72 -0.03 0.00 0.00 0.00 0.00 53.44 50.69 2h3i n ALA 118 Cb 0.69 -1.26 0.12 0.00 0.00 0.00 0.00 19.45 19.01 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 -0.77 2.58 -2.71 0.00 0.00 -1.17 -5.00 120.51 113.43 2h3i n ALA 119 Ca 0.48 -1.26 -0.07 0.00 0.00 0.00 0.00 53.44 52.59 2h3i n ALA 119 Cb 1.46 -0.86 0.08 0.00 0.00 0.00 0.00 19.45 20.13 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 -1.26 -1.74 0.00 0.00 0.00 -1.23 -4.99 120.51 111.29 2h3i n ALA 120 Ca -0.12 -1.11 0.00 0.00 0.00 0.00 0.00 53.44 52.21 2h3i n ALA 120 Cb 0.87 -1.83 0.00 0.00 0.00 0.00 0.00 19.45 18.49 2h3i n ALA 120 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2h3i n ASP 121 N 0.88 0.00 -4.60 0.00 2.03 -1.26 -5.01 116.55 108.58 2h3i n ASP 121 Ca 0.04 0.00 -0.51 0.00 0.52 0.00 0.00 54.79 54.84 2h3i n ASP 121 Cb 0.69 0.17 -0.06 0.00 -0.72 0.00 0.00 41.12 41.20 2h3i n ASP 121 CO 0.00 0.00 0.00 0.35 -1.92 0.00 0.00 177.20 175.63 2h3i n THR 122 N -2.17 0.37 -3.09 5.18 -2.24 -1.26 -4.95 114.28 106.12 2h3i n THR 122 Ca 0.00 -0.17 -0.09 0.00 -2.27 0.00 0.00 64.05 61.52 2h3i n THR 122 Cb 0.00 -1.70 0.03 0.00 -2.10 0.00 0.00 70.33 66.56 2h3i n THR 122 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2h3i n GLY 123 N 5.19 2.06 3.64 3.38 0.00 -1.26 -5.15 105.19 113.05 2h3i n GLY 123 Ca 0.30 -2.18 -0.12 0.00 0.00 0.00 0.00 46.02 44.02 2h3i n GLY 123 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 2h3i s ASN 124 N -2.58 0.55 0.20 1.61 -0.87 -1.26 -5.19 114.94 107.40 2h3i s ASN 124 Ca 0.26 -1.37 0.04 0.00 -1.57 0.00 0.00 52.86 50.22 2h3i s ASN 124 Cb -0.02 0.77 -0.02 0.00 -0.02 0.00 0.00 41.25 41.97 2h3i s ASN 124 CO 0.16 -1.52 0.15 -0.46 -2.57 0.00 0.00 177.10 172.86 2h3i n ASN 125 N -1.53 -0.20 -3.64 -1.22 0.23 -1.26 -5.18 115.26 102.46 2h3i n ASN 125 Ca -0.04 -2.28 -0.02 0.00 -0.53 0.00 0.00 54.58 51.71 2h3i n ASN 125 Cb 0.61 0.93 -0.03 0.00 -2.08 0.00 0.00 39.78 39.20 2h3i n ASN 125 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 2h3i s SER 126 N -2.38 -0.04 0.38 0.53 1.04 -1.26 -5.19 113.70 106.78 2h3i s SER 126 Ca 0.22 0.02 0.02 0.00 0.48 0.00 0.00 55.95 56.69 2h3i s SER 126 Cb 0.01 0.04 -0.01 0.00 0.10 0.00 0.00 66.02 66.16 2h3i s SER 126 CO 0.15 -0.05 0.06 0.00 0.98 0.00 0.00 173.24 174.38 2h3i n GLN 127 N 0.28 0.83 -4.44 4.02 10.64 -1.26 -5.17 117.38 122.28 2h3i n GLN 127 Ca 0.02 -2.93 -0.21 0.00 -1.83 0.00 0.00 57.00 52.05 2h3i n GLN 127 Cb 0.58 1.15 -0.14 0.00 -0.86 0.00 0.00 30.24 30.97 2h3i n GLN 127 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2h3i s VAL 128 N -2.64 1.15 -0.19 -0.39 0.11 -1.26 -5.13 120.40 112.05 2h3i s VAL 128 Ca 0.08 -0.92 0.00 0.00 -2.93 0.00 0.00 61.98 58.22 2h3i s VAL 128 Cb 0.00 -1.02 0.02 0.00 -1.53 0.00 0.00 36.38 33.85 2h3i s VAL 128 CO 0.06 0.09 -0.18 -0.44 -3.33 0.00 0.00 175.10 171.30 2h3i s SER 129 N -0.95 3.29 -0.23 3.54 0.01 -1.26 -4.99 113.70 113.12 2h3i s SER 129 Ca 0.03 -0.62 0.13 0.00 1.31 0.00 0.00 55.95 56.80 2h3i s SER 129 Cb -0.07 -1.51 0.45 0.00 0.21 0.00 0.00 66.02 65.09 2h3i s SER 129 CO 0.01 -0.00 1.19 0.00 0.41 0.00 0.00 173.24 174.84 2h3i n GLN 130 N 4.64 2.30 -4.37 12.44 10.64 -1.26 -5.05 117.38 136.72 2h3i n GLN 130 Ca -0.21 -3.56 -0.19 0.00 -1.83 0.00 0.00 57.00 51.22 2h3i n GLN 130 Cb 0.50 -1.72 -0.10 0.00 -0.86 0.00 0.00 30.24 28.05 2h3i n GLN 130 CO 0.00 0.00 0.00 0.54 -1.83 0.00 0.00 177.06 175.77 2h3i s ASN 131 N -3.34 1.95 0.00 2.61 2.20 -1.26 -5.40 114.94 111.69 2h3i s ASN 131 Ca 0.42 -1.29 0.10 0.00 -0.94 0.00 0.00 52.86 51.14 2h3i s ASN 131 Cb 0.38 -0.00 0.08 0.00 -2.00 0.00 0.00 41.25 39.71 2h3i s ASN 131 CO -0.03 -0.57 0.81 -1.22 -2.94 0.00 0.00 177.10 173.16