#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i h ALA 3 N 0.00 1.70 -1.10 4.61 0.00 -2.10 -3.35 119.26 119.01 2h3i h ALA 3 Ca 0.00 0.02 -0.44 0.00 0.00 0.00 0.00 54.91 54.49 2h3i h ALA 3 Cb 0.00 -0.16 -0.06 0.00 0.00 0.00 0.00 17.79 17.57 2h3i h ALA 3 CO 0.00 0.07 1.09 0.50 0.00 0.00 0.00 179.25 180.91 2h3i s ARG 4 N -5.79 2.83 0.00 0.00 3.52 -1.26 -4.91 118.95 113.34 2h3i s ARG 4 Ca -0.11 -0.14 0.00 0.00 -0.13 0.00 0.00 55.73 55.35 2h3i s ARG 4 Cb 0.22 -4.79 0.00 0.00 -1.56 0.00 0.00 34.95 28.82 2h3i s ARG 4 CO 0.80 -2.83 0.00 0.00 -0.81 0.00 0.00 175.30 172.46 2h3i n ALA 5 N 12.17 0.00 -2.67 6.12 0.00 -1.26 -4.99 120.51 129.88 2h3i n ALA 5 Ca 0.28 0.00 -0.06 0.00 0.00 0.00 0.00 53.44 53.67 2h3i n ALA 5 Cb 0.49 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.95 2h3i n ALA 5 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 2h3i n SER 6 N -1.57 -7.02 -0.01 0.00 7.64 -1.26 -5.01 113.62 106.40 2h3i n SER 6 Ca 0.00 0.36 -0.01 0.00 1.01 0.00 0.00 58.87 60.23 2h3i n SER 6 Cb 0.00 -4.71 -0.01 0.00 -1.01 0.00 0.00 64.21 58.48 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 -0.58 0.12 -2.49 0.44 0.31 -1.26 -5.02 118.33 109.85 2h3i n VAL 7 Ca 0.08 -0.06 -0.42 0.00 -0.01 0.00 0.00 64.34 63.94 2h3i n VAL 7 Cb 0.41 -0.70 -0.03 0.00 -0.91 0.00 0.00 33.84 32.60 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 -4.79 4.40 0.00 7.52 1.43 -1.26 -5.01 118.68 120.97 2h3i s LEU 8 Ca -0.02 1.98 0.00 0.00 -1.03 0.00 0.00 54.13 55.06 2h3i s LEU 8 Cb 0.01 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.64 2h3i s LEU 8 CO 0.06 -0.37 0.00 -1.20 0.23 0.00 0.00 176.35 175.07 2h3i n SER 9 N 3.50 0.00 -0.09 2.29 7.64 -1.26 -4.92 113.62 120.78 2h3i n SER 9 Ca 0.07 -0.64 -0.23 0.00 1.01 0.00 0.00 58.87 59.08 2h3i n SER 9 Cb 0.47 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.55 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 2h3i n GLY 10 N 5.00 -0.57 0.25 0.23 0.00 -1.26 -3.23 105.19 105.61 2h3i n GLY 10 Ca 0.00 -0.12 0.14 0.00 0.00 0.00 0.00 46.02 46.04 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 0.26 0.00 0.64 -0.02 0.00 -2.01 -3.10 103.07 98.84 2h3i h GLY 11 Ca -0.50 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.49 2h3i h GLY 11 CO -0.15 0.00 -1.83 -2.09 0.00 0.00 0.00 176.54 172.48 2h3i h GLU 12 N 0.00 0.28 -0.81 4.80 4.57 -1.96 -3.31 114.58 118.15 2h3i h GLU 12 Ca -0.00 -0.47 0.07 0.00 -1.18 0.00 0.00 59.36 57.77 2h3i h GLU 12 Cb 0.74 0.18 -0.06 0.00 -0.16 0.00 0.00 28.75 29.45 2h3i h GLU 12 CO 0.00 1.23 0.49 1.25 -1.18 0.00 0.00 179.01 180.80 2h3i h LEU 13 N -0.04 0.74 -0.55 1.64 6.46 -1.57 0.79 115.31 122.79 2h3i h LEU 13 Ca -0.39 0.03 -0.01 0.00 -0.12 0.00 0.00 57.88 57.39 2h3i h LEU 13 Cb 1.97 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.75 2h3i h LEU 13 CO 0.09 0.47 0.32 -0.78 -0.62 0.00 0.00 178.44 177.91 2h3i h ASP 14 N 0.87 0.67 -0.09 1.25 3.58 -1.70 -2.54 116.42 118.46 2h3i h ASP 14 Ca 0.36 -0.07 -0.11 0.00 0.42 0.00 0.00 57.03 57.63 2h3i h ASP 14 Cb 0.21 -0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.08 2h3i h ASP 14 CO -0.19 0.55 -0.29 0.11 -2.88 0.00 0.00 179.24 176.54 2h3i h LYS 15 N 0.73 0.56 -0.95 0.28 1.79 -1.46 -2.71 116.57 114.81 2h3i h LYS 15 Ca 0.19 -0.23 0.08 0.00 -2.18 0.00 0.00 60.65 58.52 2h3i h LYS 15 Cb 0.01 -0.02 -0.07 0.00 -1.58 0.00 0.00 32.23 30.57 2h3i h LYS 15 CO -0.03 0.79 0.61 2.35 -1.08 0.00 0.00 179.45 182.08 2h3i h TRP 16 N 0.48 1.09 0.00 -1.35 2.91 -0.45 0.12 115.95 118.75 2h3i h TRP 16 Ca 0.06 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.11 2h3i h TRP 16 Cb 0.74 -0.35 0.00 0.00 -0.51 0.00 0.00 29.16 29.04 2h3i h TRP 16 CO 0.03 0.52 -0.16 0.39 -1.03 0.00 0.00 178.44 178.19 2h3i n GLU 17 N -4.53 0.07 0.01 2.65 1.02 -1.08 -3.20 120.64 115.58 2h3i n GLU 17 Ca 0.16 0.04 0.12 0.00 -0.02 0.00 0.00 57.16 57.46 2h3i n GLU 17 Cb 0.25 -1.57 0.22 0.00 -0.02 0.00 0.00 31.44 30.33 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 -1.68 0.06 -2.97 3.49 0.00 0.33 -4.20 118.16 113.20 2h3i n LYS 18 Ca 0.06 0.01 -0.40 0.00 0.00 0.00 0.00 58.31 57.98 2h3i n LYS 18 Cb 0.36 -1.53 -0.05 0.00 0.00 0.00 0.00 35.03 33.81 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2h3i s ILE 19 N -3.04 4.66 0.82 3.15 1.01 -0.70 -4.94 121.20 122.16 2h3i s ILE 19 Ca 0.10 1.67 -0.11 0.00 0.00 0.00 0.00 60.65 62.31 2h3i s ILE 19 Cb 0.17 -4.13 0.10 0.00 0.01 0.00 0.00 42.46 38.61 2h3i s ILE 19 CO 0.71 0.39 1.17 -0.13 0.00 0.00 0.00 174.94 177.08 2h3i s ARG 20 N -0.24 1.70 -0.24 2.79 0.52 -1.25 -0.57 118.95 121.66 2h3i s ARG 20 Ca 0.39 -0.14 -0.00 0.00 -0.52 0.00 0.00 55.73 55.45 2h3i s ARG 20 Cb -0.21 -1.99 -0.15 0.00 0.52 0.00 0.00 34.95 33.11 2h3i s ARG 20 CO 0.24 -1.69 -0.23 1.28 0.02 0.00 0.00 175.30 174.91 2h3i n LEU 21 N -3.31 2.82 -4.82 2.53 4.77 -0.53 -3.29 117.00 115.17 2h3i n LEU 21 Ca 0.10 -0.07 -0.22 0.00 -0.03 0.00 0.00 56.01 55.79 2h3i n LEU 21 Cb 0.60 -0.84 -0.05 0.00 -2.33 0.00 0.00 43.42 40.81 2h3i n LEU 21 CO 0.53 0.86 -0.09 -0.13 -1.33 0.00 0.00 177.39 177.23 2h3i s ARG 22 N -2.48 2.50 -0.02 3.23 0.52 -1.26 -3.67 118.95 117.76 2h3i s ARG 22 Ca -0.33 -1.53 -0.25 0.00 -0.52 0.00 0.00 55.73 53.10 2h3i s ARG 22 Cb 0.09 -2.30 -0.19 0.00 0.52 0.00 0.00 34.95 33.07 2h3i s ARG 22 CO 0.54 -0.04 1.21 -1.00 0.02 0.00 0.00 175.30 176.04 2h3i h PRO 23 N 1.26 -0.08 -0.41 3.54 0.13 -1.94 -3.33 132.00 131.18 2h3i h PRO 23 Ca -0.43 0.01 -0.20 0.00 -0.87 0.00 0.00 66.00 64.51 2h3i h PRO 23 Cb 1.26 0.02 -0.12 0.00 0.13 0.00 0.00 31.00 32.29 2h3i h PRO 23 CO 0.61 0.37 -0.00 0.41 -0.23 0.00 0.00 178.00 179.16 2h3i n GLY 24 N 0.20 4.78 0.00 1.56 0.00 -1.26 -4.92 105.19 105.55 2h3i n GLY 24 Ca -0.08 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.74 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 -1.06 1.88 0.00 -0.02 0.00 -1.25 -5.05 105.19 99.68 2h3i n GLY 25 Ca 0.35 -2.12 0.00 0.00 0.00 0.00 0.00 46.02 44.25 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 -0.92 0.11 -2.59 1.61 4.81 -1.26 -4.92 118.16 115.00 2h3i n LYS 26 Ca 0.00 -0.21 -0.35 0.00 -0.87 0.00 0.00 58.31 56.88 2h3i n LYS 26 Cb 0.00 -0.67 -0.04 0.00 0.02 0.00 0.00 35.03 34.34 2h3i n LYS 26 CO 0.00 0.00 0.00 -1.59 1.17 0.00 0.00 177.40 176.98 2h3i s LYS 27 N -0.07 4.09 0.53 1.64 0.00 -1.26 -4.98 119.74 119.69 2h3i s LYS 27 Ca 0.00 1.41 0.01 0.00 0.00 0.00 0.00 55.97 57.39 2h3i s LYS 27 Cb 0.00 -2.38 0.01 0.00 0.00 0.00 0.00 37.83 35.46 2h3i s LYS 27 CO 0.00 -0.19 0.12 1.04 0.00 0.00 0.00 175.35 176.33 2h3i n GLN 28 N -0.36 0.72 -3.69 1.78 3.00 -1.26 -1.46 117.38 116.11 2h3i n GLN 28 Ca 0.06 -3.71 -0.31 0.00 -0.01 0.00 0.00 57.00 53.03 2h3i n GLN 28 Cb 0.51 0.83 -0.04 0.00 0.00 0.00 0.00 30.24 31.53 2h3i n GLN 28 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 177.06 177.77 2h3i s TYR 29 N -2.85 3.48 0.15 1.08 2.02 0.26 -4.64 117.35 116.85 2h3i s TYR 29 Ca 0.09 0.50 -0.03 0.00 -0.37 0.00 0.00 57.07 57.26 2h3i s TYR 29 Cb -0.01 -1.97 -0.03 0.00 -0.40 0.00 0.00 41.96 39.56 2h3i s TYR 29 CO 0.06 0.43 0.13 0.15 -1.57 0.00 0.00 175.55 174.75 2h3i s LYS 30 N -2.76 1.02 0.26 -0.62 -0.14 -1.26 -4.11 119.74 112.13 2h3i s LYS 30 Ca 0.40 -1.38 -0.06 0.00 -1.36 0.00 0.00 55.97 53.57 2h3i s LYS 30 Cb -0.12 0.28 0.48 0.00 -1.68 0.00 0.00 37.83 36.80 2h3i s LYS 30 CO 0.26 -0.32 1.61 -0.07 -0.76 0.00 0.00 175.35 176.06 2h3i h LEU 31 N 2.75 -0.52 -0.84 3.17 3.38 -1.99 0.15 115.31 121.41 2h3i h LEU 31 Ca -0.34 0.23 0.26 0.00 0.09 0.00 0.00 57.88 58.13 2h3i h LEU 31 Cb 1.21 0.43 -0.16 0.00 0.09 0.00 0.00 40.66 42.24 2h3i h LEU 31 CO 0.55 -0.25 0.13 0.29 0.09 0.00 0.00 178.44 179.25 2h3i n LYS 32 N -5.44 -0.06 -0.06 1.13 5.02 -1.26 0.10 118.16 117.59 2h3i n LYS 32 Ca 0.15 1.24 -0.12 0.00 -2.02 0.00 0.00 58.31 57.56 2h3i n LYS 32 Cb 0.52 -2.03 -0.06 0.00 -0.02 0.00 0.00 35.03 33.44 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 0.39 0.22 2.13 3.86 -1.11 -1.05 115.15 119.59 2h3i h HIS 33 Ca 0.56 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.70 2h3i h HIS 33 Cb 1.27 -0.10 -0.03 0.00 1.06 0.00 0.00 27.41 29.61 2h3i h HIS 33 CO -0.32 0.60 -0.36 0.82 0.86 0.00 0.00 177.93 179.52 2h3i h ILE 34 N 0.07 0.25 -0.11 2.45 2.04 0.71 -0.03 117.51 122.89 2h3i h ILE 34 Ca 0.05 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 2h3i h ILE 34 Cb 0.47 0.25 -0.02 0.00 -0.74 0.00 0.00 36.82 36.77 2h3i h ILE 34 CO 0.02 0.00 -0.05 0.58 0.00 0.00 0.00 178.15 178.70 2h3i h VAL 35 N -0.66 0.84 -0.01 1.67 2.07 -1.34 0.22 116.25 119.04 2h3i h VAL 35 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 2h3i h VAL 35 Cb 0.65 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 31.26 2h3i h VAL 35 CO -0.15 0.00 0.08 -0.25 0.02 0.00 0.00 177.57 177.27 2h3i h TRP 36 N -0.03 0.00 0.00 1.57 7.01 -0.94 -0.70 115.95 122.85 2h3i h TRP 36 Ca 0.06 0.00 -0.14 0.00 2.11 0.00 0.00 58.89 60.92 2h3i h TRP 36 Cb 0.12 0.00 -0.02 0.00 -2.10 0.00 0.00 29.16 27.16 2h3i h TRP 36 CO -0.17 0.00 -0.94 0.00 -2.79 0.00 0.00 178.44 174.54 2h3i h ALA 37 N 1.85 0.16 -0.23 2.65 0.00 0.61 -3.29 119.26 121.01 2h3i h ALA 37 Ca 0.00 -0.93 0.07 0.00 0.00 0.00 0.00 54.91 54.05 2h3i h ALA 37 Cb 0.16 0.62 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 2h3i h ALA 37 CO -0.00 0.59 0.18 1.03 0.00 0.00 0.00 179.25 181.06 2h3i h SER 38 N -1.00 0.00 1.48 0.00 0.87 -0.32 0.20 113.55 114.78 2h3i h SER 38 Ca -0.22 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.31 2h3i h SER 38 Cb 1.00 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.96 2h3i h SER 38 CO -0.13 0.00 -0.18 0.03 -0.53 0.00 0.00 176.83 176.01 2h3i h ARG 39 N 0.00 0.00 0.23 2.24 -0.00 -1.30 -3.24 114.38 112.31 2h3i h ARG 39 Ca 0.11 0.00 -0.34 0.00 -0.50 0.00 0.00 59.98 59.25 2h3i h ARG 39 Cb 0.47 0.00 0.03 0.00 0.00 0.00 0.00 29.97 30.47 2h3i h ARG 39 CO -0.00 0.18 -1.53 1.49 0.00 0.00 0.00 179.97 180.11 2h3i h GLU 40 N 0.00 0.49 -0.51 0.04 4.57 -0.69 -3.35 114.58 115.13 2h3i h GLU 40 Ca -0.00 -0.84 0.10 0.00 -1.18 0.00 0.00 59.36 57.44 2h3i h GLU 40 Cb 0.97 0.31 -0.09 0.00 -0.16 0.00 0.00 28.75 29.78 2h3i h GLU 40 CO 0.02 1.40 -0.05 -0.07 -1.18 0.00 0.00 179.01 179.13 2h3i h LEU 41 N 0.10 -0.33 -1.61 1.64 3.38 -1.42 0.18 115.31 117.26 2h3i h LEU 41 Ca -0.28 0.14 0.23 0.00 0.09 0.00 0.00 57.88 58.05 2h3i h LEU 41 Cb 2.12 0.26 -0.06 0.00 0.09 0.00 0.00 40.66 43.07 2h3i h LEU 41 CO 0.24 -0.12 0.62 -0.33 0.09 0.00 0.00 178.44 178.95 2h3i h GLU 42 N 0.06 0.30 0.00 1.13 5.08 -1.47 0.38 114.58 120.06 2h3i h GLU 42 Ca 0.25 -0.02 -0.21 0.00 -1.00 0.00 0.00 59.36 58.38 2h3i h GLU 42 Cb 0.39 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.54 2h3i h GLU 42 CO -0.47 0.20 -1.06 -0.09 -1.00 0.00 0.00 179.01 176.59 2h3i h ARG 43 N 0.30 0.00 -0.95 2.33 2.43 -0.87 -3.25 114.38 114.37 2h3i h ARG 43 Ca 0.48 0.00 -0.12 0.00 -0.81 0.00 0.00 59.98 59.53 2h3i h ARG 43 Cb 1.37 0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 30.85 2h3i h ARG 43 CO -0.15 0.86 0.15 1.19 -1.51 0.00 0.00 179.97 180.50 2h3i n PHE 44 N -3.28 0.94 -1.45 2.20 3.72 0.10 -4.81 117.46 114.88 2h3i n PHE 44 Ca -0.02 -0.72 -0.16 0.00 -0.05 0.00 0.00 57.45 56.50 2h3i n PHE 44 Cb 0.93 -0.41 -0.07 0.00 -0.94 0.00 0.00 39.48 39.00 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3i n ALA 45 N 0.03 -0.25 -3.45 4.37 0.00 -1.02 -4.94 120.51 115.25 2h3i n ALA 45 Ca 0.17 0.26 -0.35 0.00 0.00 0.00 0.00 53.44 53.52 2h3i n ALA 45 Cb 0.79 -1.83 -0.14 0.00 0.00 0.00 0.00 19.45 18.28 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 -2.35 3.36 0.34 0.00 1.01 0.60 -5.00 120.40 118.36 2h3i s VAL 46 Ca 0.00 -0.50 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2h3i s VAL 46 Cb 0.00 -2.52 -0.12 0.00 0.00 0.00 0.00 36.38 33.75 2h3i s VAL 46 CO 0.00 0.43 1.48 0.59 0.00 0.00 0.00 175.10 177.60 2h3i n ASN 47 N 4.65 3.59 0.00 3.32 4.13 -1.26 -1.98 115.26 127.71 2h3i n ASN 47 Ca -0.18 1.20 0.07 0.00 1.68 0.00 0.00 54.58 57.35 2h3i n ASN 47 Cb 0.51 -1.58 0.38 0.00 -1.54 0.00 0.00 39.78 37.54 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 0.97 0.22 0.00 3.52 -0.04 -1.26 -2.39 135.00 136.02 2h3i n PRO 48 Ca 0.04 0.14 0.14 0.00 -0.04 0.00 0.00 63.50 63.78 2h3i n PRO 48 Cb 0.37 -1.50 0.62 0.00 -0.04 0.00 0.00 33.50 32.96 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 -0.92 0.37 0.55 0.00 -1.26 -3.68 105.19 100.22 2h3i n GLY 49 Ca 0.07 -0.27 0.00 0.00 0.00 0.00 0.00 46.02 45.83 2h3i n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3i n LEU 50 N -0.93 0.77 -0.12 0.99 4.77 -1.00 -2.96 117.00 118.51 2h3i n LEU 50 Ca 0.15 -0.38 0.08 0.00 -0.03 0.00 0.00 56.01 55.83 2h3i n LEU 50 Cb 0.27 -0.34 -0.07 0.00 -2.33 0.00 0.00 43.42 40.95 2h3i n LEU 50 CO 0.23 0.18 0.06 0.18 -1.33 0.00 0.00 177.39 176.71 2h3i n LEU 51 N -0.14 1.07 -2.59 2.23 4.77 -1.24 -2.95 117.00 118.16 2h3i n LEU 51 Ca 0.01 -0.58 -0.33 0.00 -0.03 0.00 0.00 56.01 55.07 2h3i n LEU 51 Cb 0.19 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.31 2h3i n LEU 51 CO 0.01 0.24 0.96 -1.84 -1.33 0.00 0.00 177.39 175.42 2h3i n GLU 52 N -0.99 3.05 -3.16 3.23 0.28 -1.16 -4.88 120.64 117.02 2h3i n GLU 52 Ca 0.04 -3.86 0.05 0.00 -0.16 0.00 0.00 57.16 53.23 2h3i n GLU 52 Cb 0.29 -2.27 -0.03 0.00 1.43 0.00 0.00 31.44 30.87 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 -5.13 -0.08 0.44 3.84 -1.32 -1.26 -4.98 115.64 107.16 2h3i s THR 53 Ca 0.53 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 61.21 2h3i s THR 53 Cb 0.44 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.82 2h3i s THR 53 CO -0.23 0.00 1.87 0.77 -2.21 0.00 0.00 174.62 174.82 2h3i h SER 54 N 7.73 0.32 1.29 8.08 4.64 -1.90 0.42 113.55 134.13 2h3i h SER 54 Ca -0.11 0.03 -0.15 0.00 -0.47 0.00 0.00 61.79 61.09 2h3i h SER 54 Cb 1.16 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 63.21 2h3i h SER 54 CO -0.14 0.13 -0.71 -0.33 -0.87 0.00 0.00 176.83 174.91 2h3i h GLU 55 N 0.32 0.00 0.00 4.77 5.08 -1.95 -3.23 114.58 119.57 2h3i h GLU 55 Ca 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.81 2h3i h GLU 55 Cb 1.23 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.48 2h3i h GLU 55 CO -0.14 0.70 -0.41 0.41 -1.00 0.00 0.00 179.01 178.57 2h3i n GLY 56 N 1.28 -1.30 0.14 -3.84 0.00 0.11 -3.73 105.19 97.85 2h3i n GLY 56 Ca 0.01 -0.30 0.03 0.00 0.00 0.00 0.00 46.02 45.76 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 0.00 0.79 -0.85 0.00 2.43 -1.66 -2.77 114.38 112.32 2h3i h ARG 58 Ca -0.03 -0.28 0.20 0.00 -0.81 0.00 0.00 59.98 59.06 2h3i h ARG 58 Cb 1.36 -0.06 -0.06 0.00 -0.42 0.00 0.00 29.97 30.79 2h3i h ARG 58 CO 0.05 0.89 0.57 0.37 -1.51 0.00 0.00 179.97 180.34 2h3i h GLN 59 N 0.71 0.32 0.17 0.20 -0.00 -1.75 0.98 115.11 115.74 2h3i h GLN 59 Ca 0.12 -0.02 -0.01 0.00 -0.00 0.00 0.00 58.65 58.74 2h3i h GLN 59 Cb 0.62 -0.07 0.00 0.00 0.00 0.00 0.00 27.48 28.03 2h3i h GLN 59 CO 0.04 0.21 -0.08 0.82 0.00 0.00 0.00 178.83 179.83 2h3i h ILE 60 N 0.33 0.00 -0.79 2.39 2.04 -1.67 -1.72 117.51 118.09 2h3i h ILE 60 Ca 0.43 -0.09 0.21 0.00 1.00 0.00 0.00 64.86 66.41 2h3i h ILE 60 Cb 1.16 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 37.20 2h3i h ILE 60 CO -0.13 0.00 0.55 -0.07 0.00 0.00 0.00 178.15 178.50 2h3i h LEU 61 N -0.31 0.13 -0.60 1.44 3.38 -1.54 0.90 115.31 118.71 2h3i h LEU 61 Ca -0.02 0.01 -0.14 0.00 0.09 0.00 0.00 57.88 57.82 2h3i h LEU 61 Cb 0.17 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2h3i h LEU 61 CO 0.04 0.06 -0.42 1.23 0.09 0.00 0.00 178.44 179.44 2h3i h GLY 62 N 0.13 0.69 0.96 0.83 0.00 -0.80 0.33 103.07 105.22 2h3i h GLY 62 Ca 0.39 -0.70 -0.12 0.00 0.00 0.00 0.00 47.33 46.89 2h3i h GLY 62 CO -0.06 0.64 -0.30 -1.61 0.00 0.00 0.00 176.54 175.21 2h3i h GLN 63 N 0.52 0.69 0.00 4.80 -0.00 0.12 -3.06 115.11 118.17 2h3i h GLN 63 Ca 0.04 -0.37 0.00 0.00 -0.00 0.00 0.00 58.65 58.32 2h3i h GLN 63 Cb 0.94 0.02 0.00 0.00 0.00 0.00 0.00 27.48 28.44 2h3i h GLN 63 CO 0.08 0.99 -0.22 -0.07 0.00 0.00 0.00 178.83 179.61 2h3i h LEU 64 N 0.42 0.00 0.09 -2.39 3.38 -1.38 -3.36 115.31 112.07 2h3i h LEU 64 Ca 0.04 -0.06 0.02 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 64 Cb 0.87 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.57 2h3i h LEU 64 CO 0.07 0.03 -0.50 -0.61 0.09 0.00 0.00 178.44 177.52 2h3i h GLN 65 N 0.00 -0.69 0.00 1.13 -0.00 -0.22 0.57 115.11 115.91 2h3i h GLN 65 Ca 0.00 0.05 0.00 0.00 -0.00 0.00 0.00 58.65 58.70 2h3i h GLN 65 Cb 0.78 0.16 0.00 0.00 0.00 0.00 0.00 27.48 28.42 2h3i h GLN 65 CO 0.00 -0.46 0.00 -0.35 0.00 0.00 0.00 178.83 178.02 2h3i n PRO 66 N -5.48 0.47 -0.00 -2.39 -0.04 -1.25 -1.91 135.00 124.39 2h3i n PRO 66 Ca -0.08 0.01 0.04 0.00 -0.04 0.00 0.00 63.50 63.44 2h3i n PRO 66 Cb 0.40 -1.50 -0.05 0.00 -0.04 0.00 0.00 33.50 32.31 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 -1.02 1.05 0.26 3.54 7.64 0.14 -4.53 113.62 120.69 2h3i n SER 67 Ca 0.11 -0.53 0.17 0.00 1.01 0.00 0.00 58.87 59.63 2h3i n SER 67 Cb 0.06 1.10 0.78 0.00 -1.01 0.00 0.00 64.21 65.15 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 0.06 -3.43 3.38 0.73 0.73 115.31 116.78 2h3i h LEU 68 Ca 0.00 0.00 -0.36 0.00 0.09 0.00 0.00 57.88 57.61 2h3i h LEU 68 Cb 0.25 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 40.97 2h3i h LEU 68 CO 0.00 0.00 -2.04 1.67 0.09 0.00 0.00 178.44 178.16 2h3i n GLN 69 N -3.16 0.69 0.06 1.13 -0.06 -1.26 -4.56 117.38 110.21 2h3i n GLN 69 Ca 0.01 0.29 -0.10 0.00 -2.00 0.00 0.00 57.00 55.20 2h3i n GLN 69 Cb 0.47 -1.65 -0.07 0.00 -4.06 0.00 0.00 30.24 24.92 2h3i n GLN 69 CO 0.00 0.00 0.00 1.15 -0.20 0.00 0.00 177.06 178.01 2h3i h THR 70 N -0.22 0.75 -2.44 1.69 2.02 -1.40 -3.46 112.91 109.86 2h3i h THR 70 Ca -0.47 -1.10 -0.31 0.00 0.77 0.00 0.00 66.41 65.30 2h3i h THR 70 Cb 1.84 1.27 0.18 0.00 -1.74 0.00 0.00 68.15 69.70 2h3i h THR 70 CO -0.05 0.20 -0.29 0.61 0.37 0.00 0.00 175.52 176.36 2h3i n GLY 71 N 0.65 -2.98 0.00 2.16 0.00 0.24 -5.05 105.19 100.21 2h3i n GLY 71 Ca -0.07 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.77 2h3i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h3i n SER 72 N -3.27 0.25 0.22 1.61 3.41 -1.26 -4.91 113.62 109.66 2h3i n SER 72 Ca 0.08 -0.34 0.15 0.00 -0.26 0.00 0.00 58.87 58.49 2h3i n SER 72 Cb 0.48 0.00 0.78 0.00 -0.26 0.00 0.00 64.21 65.21 2h3i n SER 72 CO 0.00 0.00 0.00 -0.33 -0.16 0.00 0.00 175.04 174.55 2h3i h GLU 73 N 0.00 0.00 -0.01 4.33 3.07 -1.96 -0.93 114.58 119.08 2h3i h GLU 73 Ca 0.00 0.00 -0.10 0.00 -0.50 0.00 0.00 59.36 58.76 2h3i h GLU 73 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2h3i h GLU 73 CO 0.00 0.00 -0.46 0.93 -1.40 0.00 0.00 179.01 178.08 2h3i h GLU 74 N 0.00 0.02 0.00 2.33 5.08 -2.00 -2.34 114.58 117.67 2h3i h GLU 74 Ca 0.00 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.31 2h3i h GLU 74 Cb 0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2h3i h GLU 74 CO 0.00 0.48 -0.32 1.25 -1.00 0.00 0.00 179.01 179.42 2h3i h LEU 75 N 0.02 0.00 0.01 1.33 5.85 -1.52 -3.23 115.31 117.77 2h3i h LEU 75 Ca -0.00 0.00 -0.22 0.00 0.84 0.00 0.00 57.88 58.50 2h3i h LEU 75 Cb 0.82 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.82 2h3i h LEU 75 CO 0.06 0.17 -1.08 0.03 -0.34 0.00 0.00 178.44 177.28 2h3i h ARG 76 N 0.00 0.01 -0.03 1.25 3.08 -1.49 -2.98 114.38 114.22 2h3i h ARG 76 Ca -0.01 -0.02 -0.14 0.00 0.07 0.00 0.00 59.98 59.88 2h3i h ARG 76 Cb 1.14 0.01 -0.02 0.00 0.08 0.00 0.00 29.97 31.18 2h3i h ARG 76 CO 0.02 0.96 -0.61 0.77 -1.07 0.00 0.00 179.97 180.04 2h3i h SER 77 N 0.00 0.14 0.24 7.04 0.02 -1.47 -3.08 113.55 116.44 2h3i h SER 77 Ca -0.04 -0.08 -0.01 0.00 -0.84 0.00 0.00 61.79 60.82 2h3i h SER 77 Cb 1.80 -0.04 0.00 0.00 0.14 0.00 0.00 62.40 64.31 2h3i h SER 77 CO 0.13 0.71 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.35 2h3i h LEU 78 N 0.09 -0.27 -0.97 5.07 -0.00 -1.61 -3.25 115.31 114.36 2h3i h LEU 78 Ca -0.01 0.01 0.32 0.00 -0.00 0.00 0.00 57.88 58.20 2h3i h LEU 78 Cb 1.10 0.07 -0.17 0.00 -0.00 0.00 0.00 40.66 41.66 2h3i h LEU 78 CO 0.09 0.18 0.34 0.22 -0.00 0.00 0.00 178.44 179.26 2h3i h TYR 79 N -1.07 0.50 0.22 1.13 5.03 -1.63 0.11 116.97 121.26 2h3i h TYR 79 Ca -0.03 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.32 2h3i h TYR 79 Cb 0.25 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.45 2h3i h TYR 79 CO 0.00 -0.36 -0.30 -0.91 -1.32 0.00 0.00 178.16 175.27 2h3i h ASN 80 N 0.10 -0.86 0.47 -2.11 4.21 -1.63 0.57 115.58 116.34 2h3i h ASN 80 Ca 0.70 0.08 -0.02 0.00 1.21 0.00 0.00 56.30 58.27 2h3i h ASN 80 Cb 1.62 0.30 -0.01 0.00 -1.12 0.00 0.00 38.32 39.11 2h3i h ASN 80 CO -0.76 -0.37 -0.31 0.74 -1.29 0.00 0.00 177.43 175.43 2h3i h THR 81 N -0.55 0.35 -0.91 2.81 2.02 -1.15 -2.61 112.91 112.87 2h3i h THR 81 Ca -0.03 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.41 2h3i h THR 81 Cb 0.50 0.35 -0.15 0.00 -1.74 0.00 0.00 68.15 67.11 2h3i h THR 81 CO -0.08 0.00 0.25 0.40 0.37 0.00 0.00 175.52 176.46 2h3i h ILE 82 N -0.76 0.26 -0.33 3.11 2.04 -0.83 0.22 117.51 121.22 2h3i h ILE 82 Ca -0.05 -0.06 0.05 0.00 1.00 0.00 0.00 64.86 65.79 2h3i h ILE 82 Cb 0.63 0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 36.73 2h3i h ILE 82 CO 0.03 0.03 0.06 0.00 0.00 0.00 0.00 178.15 178.28 2h3i h ALA 83 N 1.82 0.34 -0.91 1.87 0.00 -0.50 -1.96 119.26 119.93 2h3i h ALA 83 Ca 0.59 0.07 0.18 0.00 0.00 0.00 0.00 54.91 55.74 2h3i h ALA 83 Cb 1.23 0.09 -0.11 0.00 0.00 0.00 0.00 17.79 19.00 2h3i h ALA 83 CO -0.69 -0.35 0.48 0.28 0.00 0.00 0.00 179.25 178.98 2h3i h VAL 84 N 0.17 0.65 0.56 0.00 2.07 -0.36 -2.11 116.25 117.25 2h3i h VAL 84 Ca 0.16 -0.21 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 2h3i h VAL 84 Cb 0.18 -0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 2h3i h VAL 84 CO -0.21 0.11 -0.48 0.25 0.02 0.00 0.00 177.57 177.26 2h3i h LEU 85 N 0.61 -1.30 -0.65 2.57 5.85 -1.11 0.18 115.31 121.46 2h3i h LEU 85 Ca 0.53 0.10 0.13 0.00 0.84 0.00 0.00 57.88 59.48 2h3i h LEU 85 Cb 0.85 0.42 -0.12 0.00 0.37 0.00 0.00 40.66 42.17 2h3i h LEU 85 CO -0.41 -0.67 -0.14 0.22 -0.34 0.00 0.00 178.44 177.09 2h3i h TYR 86 N -1.03 -0.31 0.00 1.25 3.20 -1.26 0.57 116.97 119.39 2h3i h TYR 86 Ca -0.07 0.06 -0.05 0.00 3.14 0.00 0.00 58.73 61.81 2h3i h TYR 86 Cb 0.88 0.24 -0.01 0.00 1.54 0.00 0.00 36.73 39.38 2h3i h TYR 86 CO -0.21 -0.27 -0.23 0.00 -1.64 0.00 0.00 178.16 175.81 2h3i h VAL 88 N 0.00 1.39 0.00 0.00 2.07 0.31 0.12 116.25 120.14 2h3i h VAL 88 Ca -0.00 -2.11 -0.18 0.00 0.82 0.00 0.00 66.70 65.23 2h3i h VAL 88 Cb 0.43 2.08 -0.03 0.00 -1.52 0.00 0.00 31.29 32.25 2h3i h VAL 88 CO 0.03 0.63 -0.86 0.45 0.02 0.00 0.00 177.57 177.84 2h3i h HIS 89 N 0.24 0.00 -0.19 1.57 -0.00 -0.30 -3.16 115.15 113.31 2h3i h HIS 89 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2h3i h HIS 89 Cb 1.25 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 28.66 2h3i h HIS 89 CO 0.04 0.86 0.00 1.04 -0.00 0.00 0.00 177.93 179.87 2h3i n GLN 90 N -3.41 1.99 -2.11 2.45 1.13 -0.71 -4.85 117.38 111.87 2h3i n GLN 90 Ca 0.00 -0.93 -0.20 0.00 -1.94 0.00 0.00 57.00 53.94 2h3i n GLN 90 Cb 0.85 -1.56 -0.04 0.00 0.11 0.00 0.00 30.24 29.61 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 0.19 -1.65 -2.94 -1.09 0.63 -1.20 -4.93 116.66 105.68 2h3i n ARG 91 Ca 0.08 1.03 -0.42 0.00 -0.92 0.00 0.00 57.85 57.62 2h3i n ARG 91 Cb 0.43 -5.58 -0.05 0.00 0.45 0.00 0.00 32.46 27.71 2h3i n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3i s ILE 92 N -2.87 4.73 -0.47 5.15 1.01 0.40 -5.01 121.20 124.15 2h3i s ILE 92 Ca 0.00 0.99 -0.29 0.00 0.00 0.00 0.00 60.65 61.35 2h3i s ILE 92 Cb 0.00 -4.21 0.02 0.00 0.01 0.00 0.00 42.46 38.28 2h3i s ILE 92 CO 0.00 -0.40 1.34 -1.81 0.00 0.00 0.00 174.94 174.06 2h3i s ASP 93 N 1.79 6.37 0.27 3.58 1.11 -1.26 -4.41 116.67 124.12 2h3i s ASP 93 Ca 0.32 0.59 0.07 0.00 0.18 0.00 0.00 52.55 53.71 2h3i s ASP 93 Cb -0.13 -2.54 -0.03 0.00 1.07 0.00 0.00 42.92 41.28 2h3i s ASP 93 CO 0.16 -1.45 0.24 0.68 1.18 0.00 0.00 175.17 175.98 2h3i s VAL 94 N 5.30 4.40 -0.19 -1.27 -7.23 -1.26 -5.03 120.40 115.13 2h3i s VAL 94 Ca 0.55 -1.33 0.08 0.00 -1.81 0.00 0.00 61.98 59.48 2h3i s VAL 94 Cb -0.11 -3.43 -0.11 0.00 0.56 0.00 0.00 36.38 33.29 2h3i s VAL 94 CO 0.31 -0.31 0.26 0.29 -0.31 0.00 0.00 175.10 175.34 2h3i n LYS 95 N -1.26 2.08 -3.64 4.82 4.76 -1.26 -4.85 118.16 118.81 2h3i n LYS 95 Ca -0.07 -0.04 -0.01 0.00 -2.87 0.00 0.00 58.31 55.32 2h3i n LYS 95 Cb 0.58 -1.06 -0.01 0.00 -1.84 0.00 0.00 35.03 32.70 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 -1.37 0.00 0.00 177.40 176.19 2h3i s ASP 96 N -2.44 -0.11 0.11 4.39 1.47 -1.26 -3.82 116.67 115.01 2h3i s ASP 96 Ca -0.00 -0.18 -0.22 0.00 1.18 0.00 0.00 52.55 53.33 2h3i s ASP 96 Cb 0.06 0.25 -0.06 0.00 -0.34 0.00 0.00 42.92 42.83 2h3i s ASP 96 CO 0.35 -0.45 1.38 0.74 0.68 0.00 0.00 175.17 177.87 2h3i h THR 97 N 2.00 0.00 -0.49 2.11 2.02 -1.62 0.22 112.91 117.14 2h3i h THR 97 Ca -0.26 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.02 2h3i h THR 97 Cb 1.21 0.00 -0.10 0.00 -1.74 0.00 0.00 68.15 67.52 2h3i h THR 97 CO 0.27 0.00 -0.20 0.50 0.37 0.00 0.00 175.52 176.46 2h3i h LYS 98 N -0.06 -0.09 -1.09 6.66 3.11 -1.90 0.18 116.57 123.38 2h3i h LYS 98 Ca 0.10 0.01 0.31 0.00 -2.81 0.00 0.00 60.65 58.25 2h3i h LYS 98 Cb 0.32 0.02 -0.11 0.00 -1.00 0.00 0.00 32.23 31.45 2h3i h LYS 98 CO -0.61 -0.06 0.68 1.49 -2.81 0.00 0.00 179.45 178.15 2h3i h GLU 99 N -0.09 0.33 -0.02 1.90 4.57 -1.38 0.15 114.58 120.04 2h3i h GLU 99 Ca 0.23 -0.02 -0.06 0.00 -1.18 0.00 0.00 59.36 58.33 2h3i h GLU 99 Cb 0.45 -0.07 0.00 0.00 -0.16 0.00 0.00 28.75 28.97 2h3i h GLU 99 CO -0.55 0.22 -0.23 0.00 -1.18 0.00 0.00 179.01 177.26 2h3i h ALA 100 N 1.67 0.05 0.47 2.92 0.00 0.23 -2.80 119.26 121.80 2h3i h ALA 100 Ca 0.67 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 2h3i h ALA 100 Cb 1.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.51 2h3i h ALA 100 CO -0.40 0.07 -0.38 -0.07 0.00 0.00 0.00 179.25 178.47 2h3i h LEU 101 N -0.44 -1.01 -0.69 0.00 3.38 0.29 -2.59 115.31 114.24 2h3i h LEU 101 Ca -0.02 0.08 0.12 0.00 0.09 0.00 0.00 57.88 58.15 2h3i h LEU 101 Cb 0.95 0.33 -0.09 0.00 0.09 0.00 0.00 40.66 41.94 2h3i h LEU 101 CO 0.05 -0.55 0.25 0.44 0.09 0.00 0.00 178.44 178.72 2h3i h ASP 102 N -0.85 0.22 -0.31 -0.43 5.19 -0.96 0.27 116.42 119.55 2h3i h ASP 102 Ca -0.05 0.10 0.09 0.00 -0.62 0.00 0.00 57.03 56.55 2h3i h ASP 102 Cb 0.73 0.09 -0.01 0.00 0.18 0.00 0.00 39.33 40.32 2h3i h ASP 102 CO -0.01 0.10 0.33 0.11 -3.12 0.00 0.00 179.24 176.65 2h3i h LYS 103 N 0.41 0.00 0.06 3.56 6.56 -1.19 0.78 116.57 126.75 2h3i h LYS 103 Ca 0.37 0.00 -0.29 0.00 -1.06 0.00 0.00 60.65 59.67 2h3i h LYS 103 Cb 0.53 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 32.17 2h3i h LYS 103 CO -0.38 0.00 -1.54 0.82 -2.06 0.00 0.00 179.45 176.29 2h3i h ILE 104 N 0.00 1.10 -0.30 1.86 2.04 -0.14 -3.34 117.51 118.74 2h3i h ILE 104 Ca 0.15 -2.83 -0.12 0.00 1.00 0.00 0.00 64.86 63.06 2h3i h ILE 104 Cb 0.81 2.64 -0.01 0.00 -0.74 0.00 0.00 36.82 39.52 2h3i h ILE 104 CO -0.00 0.75 -0.31 -0.08 0.00 0.00 0.00 178.15 178.51 2h3i h GLU 105 N 0.04 0.62 0.00 2.37 4.57 -0.01 -2.68 114.58 119.49 2h3i h GLU 105 Ca -0.23 -0.27 -0.02 0.00 -1.18 0.00 0.00 59.36 57.65 2h3i h GLU 105 Cb 1.98 -0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 30.55 2h3i h GLU 105 CO 0.12 0.86 -0.08 1.49 -1.18 0.00 0.00 179.01 180.21 2h3i h GLU 106 N 0.53 0.00 0.05 1.92 4.57 -1.33 -1.09 114.58 119.23 2h3i h GLU 106 Ca 0.06 0.00 -0.23 0.00 -1.18 0.00 0.00 59.36 58.01 2h3i h GLU 106 Cb 0.79 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.37 2h3i h GLU 106 CO 0.07 0.08 -1.07 1.49 -1.18 0.00 0.00 179.01 178.40 2h3i h GLU 107 N 0.00 0.15 0.00 1.92 4.22 -1.60 -3.26 114.58 116.02 2h3i h GLU 107 Ca -0.00 -0.24 -0.13 0.00 0.08 0.00 0.00 59.36 59.07 2h3i h GLU 107 Cb 0.18 0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.49 2h3i h GLU 107 CO 0.01 1.08 -0.64 1.96 -2.18 0.00 0.00 179.01 179.24 2h3i h GLN 108 N 0.05 0.00 -0.70 1.92 1.08 -1.16 -3.26 115.11 113.03 2h3i h GLN 108 Ca -0.07 0.00 0.10 0.00 -1.45 0.00 0.00 58.65 57.23 2h3i h GLN 108 Cb 1.79 0.00 -0.07 0.00 -0.05 0.00 0.00 27.48 29.14 2h3i h GLN 108 CO 0.16 0.64 0.34 -0.97 -0.95 0.00 0.00 178.83 178.05 2h3i h ASN 109 N 0.00 0.42 0.41 1.46 -0.73 -1.27 0.77 115.58 116.65 2h3i h ASN 109 Ca -0.01 0.07 -0.05 0.00 1.87 0.00 0.00 56.30 58.18 2h3i h ASN 109 Cb 1.33 -0.00 -0.01 0.00 0.27 0.00 0.00 38.32 39.91 2h3i h ASN 109 CO 0.08 0.24 -0.23 0.50 -0.37 0.00 0.00 177.43 177.65 2h3i h LYS 110 N 0.57 0.00 -0.87 6.67 3.64 -1.69 -2.24 116.57 122.65 2h3i h LYS 110 Ca 0.35 0.00 -0.29 0.00 -1.27 0.00 0.00 60.65 59.44 2h3i h LYS 110 Cb 0.39 0.00 -0.17 0.00 -0.41 0.00 0.00 32.23 32.04 2h3i h LYS 110 CO -0.28 0.23 0.37 -1.13 -2.27 0.00 0.00 179.45 176.37 2h3i n SER 111 N -3.86 4.18 0.14 4.20 3.41 0.21 -4.49 113.62 117.41 2h3i n SER 111 Ca -0.02 -3.19 0.15 0.00 -0.26 0.00 0.00 58.87 55.55 2h3i n SER 111 Cb 0.32 -0.75 0.70 0.00 -0.26 0.00 0.00 64.21 64.22 2h3i n SER 111 CO 0.00 0.00 0.00 0.50 -0.16 0.00 0.00 175.04 175.38 2h3i h LYS 112 N 1.79 0.00 0.00 4.33 3.64 -0.82 0.22 116.57 125.73 2h3i h LYS 112 Ca 0.36 0.00 -0.19 0.00 -1.27 0.00 0.00 60.65 59.55 2h3i h LYS 112 Cb 2.34 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 34.13 2h3i h LYS 112 CO 0.78 0.00 -0.95 0.87 -2.27 0.00 0.00 179.45 177.88 2h3i h LYS 113 N 0.00 0.00 -0.92 1.90 1.57 -1.85 -3.25 116.57 114.02 2h3i h LYS 113 Ca 0.12 0.00 -0.42 0.00 -1.87 0.00 0.00 60.65 58.49 2h3i h LYS 113 Cb 0.51 0.00 -0.25 0.00 0.08 0.00 0.00 32.23 32.57 2h3i h LYS 113 CO -0.00 0.88 0.53 1.63 -0.57 0.00 0.00 179.45 181.91 2h3i n LYS 114 N -3.31 2.71 0.00 3.15 4.01 -0.01 -4.24 118.16 120.47 2h3i n LYS 114 Ca -0.01 -2.97 0.00 0.00 -0.51 0.00 0.00 58.31 54.82 2h3i n LYS 114 Cb 0.91 -2.17 0.00 0.00 -0.51 0.00 0.00 35.03 33.25 2h3i n LYS 114 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 2h3i n ALA 115 N -0.80 1.97 -0.11 7.82 0.00 -0.76 -4.75 120.51 123.88 2h3i n ALA 115 Ca 0.53 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.88 2h3i n ALA 115 Cb 1.57 0.35 -0.02 0.00 0.00 0.00 0.00 19.45 21.35 2h3i n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2h3i h GLN 116 N 0.00 0.49 -0.59 0.00 4.20 -1.73 -2.26 115.11 115.22 2h3i h GLN 116 Ca 0.00 -0.07 0.17 0.00 0.06 0.00 0.00 58.65 58.81 2h3i h GLN 116 Cb 0.74 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.41 2h3i h GLN 116 CO 0.00 0.45 0.47 0.37 -0.67 0.00 0.00 178.83 179.45 2h3i h GLN 117 N 0.42 0.00 -0.88 1.46 4.15 -1.87 0.23 115.11 118.61 2h3i h GLN 117 Ca 0.12 0.00 0.25 0.00 0.77 0.00 0.00 58.65 59.79 2h3i h GLN 117 Cb 0.12 0.00 -0.04 0.00 0.21 0.00 0.00 27.48 27.77 2h3i h GLN 117 CO -0.01 0.00 0.63 0.00 -1.93 0.00 0.00 178.83 177.52 2h3i h ALA 118 N 1.62 2.83 -3.81 3.38 0.00 -1.70 -3.42 119.26 118.16 2h3i h ALA 118 Ca 0.28 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.16 2h3i h ALA 118 Cb 1.22 0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2h3i h ALA 118 CO -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 179.25 178.17 2h3i n ALA 119 N -2.71 0.00 -1.58 0.00 0.00 0.07 -4.63 120.51 111.66 2h3i n ALA 119 Ca 0.18 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.46 2h3i n ALA 119 Cb 0.95 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 20.33 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 -3.00 -0.28 -1.74 0.00 0.00 -1.26 -4.86 120.51 109.37 2h3i n ALA 120 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2h3i n ALA 120 Cb 0.00 -1.75 0.16 0.00 0.00 0.00 0.00 19.45 17.86 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 -0.74 2.29 -4.32 0.00 2.03 -1.26 -5.04 116.55 109.51 2h3i n ASP 121 Ca -0.17 -3.76 -0.17 0.00 0.52 0.00 0.00 54.79 51.21 2h3i n ASP 121 Cb 0.56 -0.48 -0.10 0.00 -0.72 0.00 0.00 41.12 40.37 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -1.92 0.00 0.00 177.20 175.70 2h3i s THR 122 N -3.35 1.03 -0.32 5.18 -4.23 -1.26 -5.11 115.64 107.57 2h3i s THR 122 Ca 0.40 -2.03 -0.05 0.00 -1.18 0.00 0.00 61.69 58.83 2h3i s THR 122 Cb 0.38 -2.30 0.25 0.00 1.34 0.00 0.00 72.50 72.16 2h3i s THR 122 CO -0.05 -0.36 1.19 0.61 -0.54 0.00 0.00 174.62 175.47 2h3i n GLY 123 N -0.40 -1.81 2.37 3.99 0.00 -1.26 -5.04 105.19 103.05 2h3i n GLY 123 Ca -0.05 1.19 -0.02 0.00 0.00 0.00 0.00 46.02 47.14 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 2.01 -1.10 -2.88 1.61 5.15 -1.26 -5.15 115.26 113.65 2h3i n ASN 124 Ca 0.06 -1.91 -0.09 0.00 -0.60 0.00 0.00 54.58 52.04 2h3i n ASN 124 Cb 0.68 0.52 0.03 0.00 -0.53 0.00 0.00 39.78 40.48 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 -0.84 0.02 0.10 1.20 3.84 -1.26 -5.11 114.94 112.90 2h3i s ASN 125 Ca 0.07 -1.17 0.00 0.00 0.21 0.00 0.00 52.86 51.97 2h3i s ASN 125 Cb 0.33 0.85 0.00 0.00 -0.55 0.00 0.00 41.25 41.88 2h3i s ASN 125 CO -0.10 -1.70 0.00 -0.24 -2.79 0.00 0.00 177.10 172.28 2h3i n SER 126 N -1.47 -0.81 -3.64 -4.21 2.88 -1.26 -5.15 113.62 99.95 2h3i n SER 126 Ca -0.09 0.19 -0.12 0.00 -1.33 0.00 0.00 58.87 57.53 2h3i n SER 126 Cb 0.60 1.10 -0.07 0.00 -0.75 0.00 0.00 64.21 65.08 2h3i n SER 126 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2h3i s GLN 127 N -1.21 0.75 -0.40 -1.46 1.03 -1.26 -5.10 119.66 112.01 2h3i s GLN 127 Ca 0.00 1.03 0.08 0.00 0.04 0.00 0.00 55.36 56.51 2h3i s GLN 127 Cb 0.00 0.29 0.25 0.00 0.03 0.00 0.00 33.01 33.58 2h3i s GLN 127 CO 0.00 -0.12 0.58 1.33 -2.54 0.00 0.00 175.29 174.55 2h3i n VAL 128 N 3.28 -0.58 0.05 3.63 0.24 -1.26 -4.93 118.33 118.76 2h3i n VAL 128 Ca -0.16 -3.65 0.00 0.00 -2.04 0.00 0.00 64.34 58.49 2h3i n VAL 128 Cb 0.56 -1.40 0.00 0.00 -1.47 0.00 0.00 33.84 31.53 2h3i n VAL 128 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 2h3i n SER 129 N 1.41 0.14 -1.45 -1.34 2.88 -1.26 -5.16 113.62 108.85 2h3i n SER 129 Ca 0.19 0.15 0.19 0.00 -1.33 0.00 0.00 58.87 58.08 2h3i n SER 129 Cb 0.55 0.05 -0.05 0.00 -0.75 0.00 0.00 64.21 64.00 2h3i n SER 129 CO 0.00 0.00 0.00 1.67 -1.23 0.00 0.00 175.04 175.48 2h3i n GLN 130 N -3.03 -2.96 -1.80 -1.46 7.27 -1.26 -4.94 117.38 109.20 2h3i n GLN 130 Ca 0.00 2.00 -0.01 0.00 0.07 0.00 0.00 57.00 59.07 2h3i n GLN 130 Cb 0.12 -3.59 0.03 0.00 2.41 0.00 0.00 30.24 29.21 2h3i n GLN 130 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 2h3i n ASN 131 N -4.26 -0.38 0.00 1.69 0.23 -1.26 -5.30 115.26 105.97 2h3i n ASN 131 Ca 0.00 -1.32 0.00 0.00 -0.53 0.00 0.00 54.58 52.73 2h3i n ASN 131 Cb 0.66 0.18 0.00 0.00 -2.08 0.00 0.00 39.78 38.54 2h3i n ASN 131 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33