#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 0.73 -1.80 4.61 0.00 -1.26 -5.09 120.51 117.70 2h3i n ALA 3 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 53.44 53.02 2h3i n ALA 3 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.42 2h3i n ALA 3 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2h3i s ARG 4 N -1.13 4.16 0.00 0.00 0.52 -1.26 -4.99 118.95 116.25 2h3i s ARG 4 Ca 0.00 2.46 0.00 0.00 -0.52 0.00 0.00 55.73 57.67 2h3i s ARG 4 Cb 0.00 -3.88 0.00 0.00 0.52 0.00 0.00 34.95 31.59 2h3i s ARG 4 CO 0.00 -0.86 0.00 0.00 0.02 0.00 0.00 175.30 174.46 2h3i n ALA 5 N 6.64 0.00 -2.97 2.13 0.00 -1.26 -4.88 120.51 120.18 2h3i n ALA 5 Ca 0.18 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.62 2h3i n ALA 5 Cb 0.41 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.86 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 -2.16 -7.46 -0.07 0.00 7.64 -1.26 -4.99 113.62 105.31 2h3i n SER 6 Ca 0.00 -0.07 -0.11 0.00 1.01 0.00 0.00 58.87 59.70 2h3i n SER 6 Cb 0.00 -5.06 -0.07 0.00 -1.01 0.00 0.00 64.21 58.07 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 -1.72 0.85 -2.36 0.44 0.31 -1.26 -4.98 118.33 109.61 2h3i n VAL 7 Ca 0.00 -0.31 -0.42 0.00 -0.01 0.00 0.00 64.34 63.60 2h3i n VAL 7 Cb 0.50 -1.11 -0.03 0.00 -0.91 0.00 0.00 33.84 32.29 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 -5.99 4.38 0.00 7.52 1.43 -1.26 -4.98 118.68 119.78 2h3i s LEU 8 Ca -0.20 2.12 -0.03 0.00 -1.03 0.00 0.00 54.13 54.98 2h3i s LEU 8 Cb 0.06 -3.58 0.04 0.00 0.03 0.00 0.00 46.19 42.74 2h3i s LEU 8 CO 0.33 -0.50 0.22 -1.20 0.23 0.00 0.00 176.35 175.43 2h3i n SER 9 N 3.77 -0.36 -0.08 2.29 7.64 -1.26 -4.88 113.62 120.74 2h3i n SER 9 Ca 0.09 -0.94 -0.13 0.00 1.01 0.00 0.00 58.87 58.90 2h3i n SER 9 Cb 0.45 -0.18 -0.08 0.00 -1.01 0.00 0.00 64.21 63.39 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 2h3i h GLY 10 N -0.49 0.00 2.00 0.23 0.00 -1.99 -2.87 103.07 99.94 2h3i h GLY 10 Ca -0.08 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.25 2h3i h GLY 10 CO 0.05 0.00 0.00 -1.33 0.00 0.00 0.00 176.54 175.26 2h3i h GLY 11 N -1.00 0.00 0.76 4.60 0.00 -2.01 -2.91 103.07 102.50 2h3i h GLY 11 Ca -0.14 0.00 -0.36 0.00 0.00 0.00 0.00 47.33 46.83 2h3i h GLY 11 CO -0.08 0.00 -1.89 0.83 0.00 0.00 0.00 176.54 175.40 2h3i h GLU 12 N 0.00 0.32 -0.57 4.80 3.07 -1.95 -3.30 114.58 116.95 2h3i h GLU 12 Ca 0.00 -0.54 0.08 0.00 -0.50 0.00 0.00 59.36 58.39 2h3i h GLU 12 Cb 0.35 0.20 -0.06 0.00 -0.84 0.00 0.00 28.75 28.40 2h3i h GLU 12 CO 0.00 1.25 0.23 1.25 -1.40 0.00 0.00 179.01 180.34 2h3i h LEU 13 N 0.09 0.26 -0.76 1.33 5.85 -1.31 0.31 115.31 121.08 2h3i h LEU 13 Ca -0.39 0.06 -0.01 0.00 0.84 0.00 0.00 57.88 58.38 2h3i h LEU 13 Cb 2.06 0.03 -0.04 0.00 0.37 0.00 0.00 40.66 43.09 2h3i h LEU 13 CO 0.13 0.17 0.42 0.44 -0.34 0.00 0.00 178.44 179.26 2h3i h ASP 14 N 0.43 0.94 -0.37 1.25 5.19 -1.70 -2.63 116.42 119.52 2h3i h ASP 14 Ca 0.27 -0.09 -0.14 0.00 -0.62 0.00 0.00 57.03 56.45 2h3i h ASP 14 Cb 0.29 -0.24 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 2h3i h ASP 14 CO -0.26 0.76 -0.30 0.11 -3.12 0.00 0.00 179.24 176.43 2h3i h LYS 15 N 1.05 0.90 -0.68 3.56 6.56 -1.39 -2.56 116.57 124.00 2h3i h LYS 15 Ca 0.27 -0.42 0.09 0.00 -1.06 0.00 0.00 60.65 59.53 2h3i h LYS 15 Cb 0.03 -0.01 -0.07 0.00 -0.57 0.00 0.00 32.23 31.60 2h3i h LYS 15 CO -0.04 1.07 0.32 2.35 -2.06 0.00 0.00 179.45 181.09 2h3i h TRP 16 N 0.76 0.57 0.00 -1.35 2.91 -0.07 0.17 115.95 118.93 2h3i h TRP 16 Ca 0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.13 2h3i h TRP 16 Cb 0.87 -0.15 0.00 0.00 -0.51 0.00 0.00 29.16 29.37 2h3i h TRP 16 CO 0.05 0.19 0.00 0.39 -1.03 0.00 0.00 178.44 178.04 2h3i n GLU 17 N -4.90 0.16 0.02 2.65 1.02 -1.04 -2.74 120.64 115.81 2h3i n GLU 17 Ca 0.10 0.19 0.12 0.00 -0.02 0.00 0.00 57.16 57.56 2h3i n GLU 17 Cb 0.27 -1.71 0.27 0.00 -0.02 0.00 0.00 31.44 30.26 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 -1.99 0.11 -2.84 3.49 4.81 0.50 -4.13 118.16 118.11 2h3i n LYS 18 Ca 0.05 0.04 -0.41 0.00 -0.87 0.00 0.00 58.31 57.12 2h3i n LYS 18 Cb 0.35 -1.58 -0.05 0.00 0.02 0.00 0.00 35.03 33.78 2h3i n LYS 18 CO 0.00 0.00 0.00 0.42 1.17 0.00 0.00 177.40 178.99 2h3i s ILE 19 N -3.06 4.64 0.84 3.15 1.01 -0.58 -4.95 121.20 122.25 2h3i s ILE 19 Ca 0.10 1.87 -0.12 0.00 0.00 0.00 0.00 60.65 62.49 2h3i s ILE 19 Cb 0.16 -4.23 0.10 0.00 0.01 0.00 0.00 42.46 38.50 2h3i s ILE 19 CO 0.68 0.32 1.17 -0.13 0.00 0.00 0.00 174.94 176.99 2h3i s ARG 20 N 0.07 1.67 -0.23 2.79 0.52 -1.26 -1.04 118.95 121.48 2h3i s ARG 20 Ca 0.43 0.14 -0.06 0.00 -0.52 0.00 0.00 55.73 55.72 2h3i s ARG 20 Cb -0.22 -1.91 -0.12 0.00 0.52 0.00 0.00 34.95 33.22 2h3i s ARG 20 CO 0.26 -1.80 -0.25 1.28 0.02 0.00 0.00 175.30 174.81 2h3i n LEU 21 N -3.47 2.20 -4.83 2.53 4.77 0.10 -3.29 117.00 115.01 2h3i n LEU 21 Ca 0.08 0.12 -0.22 0.00 -0.03 0.00 0.00 56.01 55.96 2h3i n LEU 21 Cb 0.60 -0.71 -0.04 0.00 -2.33 0.00 0.00 43.42 40.94 2h3i n LEU 21 CO 0.57 0.64 -0.08 -0.13 -1.33 0.00 0.00 177.39 177.06 2h3i s ARG 22 N -2.43 2.59 -0.02 3.23 0.52 -1.26 -3.42 118.95 118.16 2h3i s ARG 22 Ca -0.31 -1.43 -0.24 0.00 -0.52 0.00 0.00 55.73 53.23 2h3i s ARG 22 Cb 0.10 -2.38 -0.18 0.00 0.52 0.00 0.00 34.95 33.02 2h3i s ARG 22 CO 0.45 0.01 1.16 -1.00 0.02 0.00 0.00 175.30 175.93 2h3i h PRO 23 N 1.24 -0.15 0.00 3.54 0.13 -1.95 -3.36 132.00 131.45 2h3i h PRO 23 Ca -0.43 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.66 2h3i h PRO 23 Cb 1.26 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.41 2h3i h PRO 23 CO 0.59 0.28 -1.85 0.41 -0.23 0.00 0.00 178.00 177.20 2h3i n GLY 24 N 0.18 -1.08 0.05 1.56 0.00 -1.26 -4.98 105.19 99.66 2h3i n GLY 24 Ca -0.09 -0.44 -0.01 0.00 0.00 0.00 0.00 46.02 45.49 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 1.30 -3.66 0.00 -0.02 0.00 -1.26 -4.99 105.19 96.55 2h3i n GLY 25 Ca -0.06 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.03 0.69 -2.57 1.61 5.02 -1.26 -4.85 118.16 114.77 2h3i n LYS 26 Ca 0.00 -0.72 -0.36 0.00 -2.02 0.00 0.00 58.31 55.21 2h3i n LYS 26 Cb 0.01 -0.62 -0.04 0.00 -0.02 0.00 0.00 35.03 34.36 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 -0.23 4.07 0.40 1.97 -0.14 -1.26 -4.93 119.74 119.62 2h3i s LYS 27 Ca 0.00 1.44 0.02 0.00 -1.36 0.00 0.00 55.97 56.07 2h3i s LYS 27 Cb 0.00 -2.40 0.02 0.00 -1.68 0.00 0.00 37.83 33.77 2h3i s LYS 27 CO 0.00 -0.21 0.15 1.04 -0.76 0.00 0.00 175.35 175.57 2h3i n GLN 28 N -0.35 0.97 -3.87 1.68 3.00 -1.26 0.02 117.38 117.58 2h3i n GLN 28 Ca 0.06 -2.71 -0.30 0.00 -0.01 0.00 0.00 57.00 54.05 2h3i n GLN 28 Cb 0.51 0.52 -0.04 0.00 0.00 0.00 0.00 30.24 31.23 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 -2.23 3.50 0.12 1.08 2.02 -0.21 -4.60 117.35 117.03 2h3i s TYR 29 Ca 0.12 0.28 -0.02 0.00 -0.37 0.00 0.00 57.07 57.07 2h3i s TYR 29 Cb -0.01 -1.79 -0.03 0.00 -0.40 0.00 0.00 41.96 39.73 2h3i s TYR 29 CO 0.07 0.53 0.07 0.15 -1.57 0.00 0.00 175.55 174.81 2h3i s LYS 30 N -2.76 0.90 0.27 -0.62 1.02 -1.26 -4.09 119.74 113.18 2h3i s LYS 30 Ca 0.36 -1.35 -0.04 0.00 0.02 0.00 0.00 55.97 54.96 2h3i s LYS 30 Cb -0.12 0.26 0.54 0.00 -0.52 0.00 0.00 37.83 37.99 2h3i s LYS 30 CO 0.28 -0.25 1.62 -0.07 -0.92 0.00 0.00 175.35 176.00 2h3i h LEU 31 N 2.87 -0.34 -0.85 3.17 -0.00 -1.99 0.85 115.31 119.03 2h3i h LEU 31 Ca -0.34 0.22 0.24 0.00 -0.00 0.00 0.00 57.88 57.99 2h3i h LEU 31 Cb 1.19 0.37 -0.16 0.00 -0.00 0.00 0.00 40.66 42.06 2h3i h LEU 31 CO 0.59 -0.21 0.02 0.29 -0.00 0.00 0.00 178.44 179.13 2h3i n LYS 32 N -5.36 -0.07 -0.12 1.13 5.02 -1.26 0.13 118.16 117.63 2h3i n LYS 32 Ca 0.17 1.27 -0.11 0.00 -2.02 0.00 0.00 58.31 57.61 2h3i n LYS 32 Cb 0.56 -2.02 -0.02 0.00 -0.02 0.00 0.00 35.03 33.53 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 0.79 0.67 2.13 3.86 -1.24 -1.73 115.15 119.63 2h3i h HIS 33 Ca 0.52 -0.17 -0.03 0.00 -1.16 0.00 0.00 60.37 59.53 2h3i h HIS 33 Cb 1.07 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 29.35 2h3i h HIS 33 CO -0.43 0.86 -0.42 0.82 0.86 0.00 0.00 177.93 179.62 2h3i h ILE 34 N 0.49 0.15 -0.39 2.45 2.04 0.11 -2.20 117.51 120.16 2h3i h ILE 34 Ca 0.09 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.02 2h3i h ILE 34 Cb 0.61 0.15 -0.06 0.00 -0.74 0.00 0.00 36.82 36.78 2h3i h ILE 34 CO 0.04 0.00 0.02 0.58 0.00 0.00 0.00 178.15 178.79 2h3i h VAL 35 N -1.03 0.73 -0.65 1.67 2.07 -1.28 0.32 116.25 118.08 2h3i h VAL 35 Ca -0.08 -0.04 0.19 0.00 0.82 0.00 0.00 66.70 67.58 2h3i h VAL 35 Cb 0.84 0.59 -0.03 0.00 -1.52 0.00 0.00 31.29 31.18 2h3i h VAL 35 CO 0.08 0.02 0.50 -0.25 0.02 0.00 0.00 177.57 177.94 2h3i h TRP 36 N 0.13 0.00 0.02 1.57 7.01 -1.17 0.31 115.95 123.81 2h3i h TRP 36 Ca 0.19 0.00 -0.03 0.00 2.11 0.00 0.00 58.89 61.16 2h3i h TRP 36 Cb 0.26 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2h3i h TRP 36 CO -0.24 0.00 -0.12 0.00 -2.79 0.00 0.00 178.44 175.29 2h3i h ALA 37 N 1.61 -0.01 -0.66 2.65 0.00 -0.32 -2.94 119.26 119.59 2h3i h ALA 37 Ca 0.31 -0.50 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 2h3i h ALA 37 Cb 1.31 0.01 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 2h3i h ALA 37 CO -0.00 0.03 0.21 0.77 0.00 0.00 0.00 179.25 180.26 2h3i h SER 38 N -0.85 0.93 0.59 0.00 0.02 -0.28 0.22 113.55 114.19 2h3i h SER 38 Ca -0.02 -0.16 -0.05 0.00 -0.84 0.00 0.00 61.79 60.72 2h3i h SER 38 Cb 1.04 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 63.33 2h3i h SER 38 CO 0.02 0.87 -0.24 -0.09 -1.14 0.00 0.00 176.83 176.25 2h3i h ARG 39 N 0.97 0.00 0.15 3.45 2.43 -0.55 -2.26 114.38 118.57 2h3i h ARG 39 Ca 0.22 0.00 -0.33 0.00 -0.81 0.00 0.00 59.98 59.06 2h3i h ARG 39 Cb 0.27 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2h3i h ARG 39 CO -0.01 0.24 -1.64 1.49 -1.51 0.00 0.00 179.97 178.54 2h3i h GLU 40 N 0.00 0.32 -0.36 0.20 4.57 -1.18 -3.33 114.58 114.79 2h3i h GLU 40 Ca -0.00 -0.54 -0.07 0.00 -1.18 0.00 0.00 59.36 57.56 2h3i h GLU 40 Cb 0.60 0.20 -0.02 0.00 -0.16 0.00 0.00 28.75 29.38 2h3i h GLU 40 CO 0.03 1.20 -0.09 -0.07 -1.18 0.00 0.00 179.01 178.90 2h3i h LEU 41 N 0.09 0.59 -0.96 1.64 3.38 -0.83 0.16 115.31 119.38 2h3i h LEU 41 Ca -0.29 -0.15 0.03 0.00 0.09 0.00 0.00 57.88 57.55 2h3i h LEU 41 Cb 2.06 -0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.60 2h3i h LEU 41 CO 0.17 0.72 0.63 -0.08 0.09 0.00 0.00 178.44 179.97 2h3i h GLU 42 N 0.57 1.20 0.00 1.13 4.22 -1.53 -2.12 114.58 118.04 2h3i h GLU 42 Ca 0.11 -0.07 -0.21 0.00 0.08 0.00 0.00 59.36 59.27 2h3i h GLU 42 Cb 0.49 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.43 2h3i h GLU 42 CO 0.03 0.80 -1.25 -0.09 -2.18 0.00 0.00 179.01 176.31 2h3i h ARG 43 N 1.24 0.00 0.00 1.92 9.65 -1.60 -3.28 114.38 122.31 2h3i h ARG 43 Ca 0.37 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.25 2h3i h ARG 43 Cb -0.04 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.54 2h3i h ARG 43 CO -0.11 0.57 0.00 1.19 2.80 0.00 0.00 179.97 184.42 2h3i n PHE 44 N -3.11 0.54 -0.49 2.20 3.72 0.53 -4.81 117.46 116.04 2h3i n PHE 44 Ca -0.08 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.58 2h3i n PHE 44 Cb 0.92 -0.91 0.00 0.00 -0.94 0.00 0.00 39.48 38.55 2h3i n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3i n ALA 45 N -1.70 0.00 -2.72 4.37 0.00 -1.04 -5.04 120.51 114.38 2h3i n ALA 45 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 53.09 2h3i n ALA 45 Cb 0.09 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.77 5.38 -0.13 0.00 1.01 -0.84 -5.03 120.40 118.01 2h3i s VAL 46 Ca 0.00 0.25 -0.38 0.00 0.00 0.00 0.00 61.98 61.85 2h3i s VAL 46 Cb 0.00 -3.50 -0.15 0.00 0.00 0.00 0.00 36.38 32.73 2h3i s VAL 46 CO 0.00 0.41 1.70 0.59 0.00 0.00 0.00 175.10 177.81 2h3i n ASN 47 N 3.67 2.60 0.00 3.32 3.02 -1.26 -4.04 115.26 122.57 2h3i n ASN 47 Ca -0.15 1.06 0.07 0.00 -0.03 0.00 0.00 54.58 55.53 2h3i n ASN 47 Cb 0.52 -1.23 0.36 0.00 -0.61 0.00 0.00 39.78 38.82 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 -2.62 0.00 0.00 177.26 173.83 2h3i n PRO 48 N 5.09 0.17 0.00 3.52 -0.04 -1.26 -2.42 135.00 140.05 2h3i n PRO 48 Ca 0.23 0.17 0.14 0.00 -0.04 0.00 0.00 63.50 64.01 2h3i n PRO 48 Cb 0.19 -1.50 0.68 0.00 -0.04 0.00 0.00 33.50 32.83 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 -1.21 0.35 0.55 0.00 -1.26 -3.36 105.19 100.24 2h3i n GLY 49 Ca 0.06 -0.18 0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.22 0.98 -0.01 0.99 4.77 -1.02 -3.24 117.00 118.26 2h3i n LEU 50 Ca 0.13 -0.49 0.08 0.00 -0.03 0.00 0.00 56.01 55.70 2h3i n LEU 50 Cb 0.27 -0.16 -0.12 0.00 -2.33 0.00 0.00 43.42 41.08 2h3i n LEU 50 CO 0.24 0.22 -0.58 0.18 -1.33 0.00 0.00 177.39 176.12 2h3i n LEU 51 N -0.02 0.13 0.05 2.23 4.77 -1.21 -1.44 117.00 121.50 2h3i n LEU 51 Ca 0.05 -0.09 -0.15 0.00 -0.03 0.00 0.00 56.01 55.80 2h3i n LEU 51 Cb 0.17 0.00 -0.14 0.00 -2.33 0.00 0.00 43.42 41.12 2h3i n LEU 51 CO 0.04 0.03 -0.31 1.05 -1.33 0.00 0.00 177.39 176.87 2h3i h GLU 52 N 0.00 0.20 -5.27 3.23 4.11 -1.78 -3.45 114.58 111.60 2h3i h GLU 52 Ca 0.00 -0.34 -0.61 0.00 0.07 0.00 0.00 59.36 58.49 2h3i h GLU 52 Cb 0.69 0.13 -0.14 0.00 0.50 0.00 0.00 28.75 29.92 2h3i h GLU 52 CO 0.00 1.04 -0.52 0.95 0.07 0.00 0.00 179.01 180.54 2h3i s THR 53 N -2.62 5.12 0.49 -1.06 -4.23 -1.26 -4.97 115.64 107.11 2h3i s THR 53 Ca -0.08 0.08 0.25 0.00 -1.18 0.00 0.00 61.69 60.76 2h3i s THR 53 Cb 0.07 -3.32 0.42 0.00 1.34 0.00 0.00 72.50 71.01 2h3i s THR 53 CO 0.84 0.45 1.90 0.77 -0.54 0.00 0.00 174.62 178.05 2h3i h SER 54 N 6.68 0.16 -0.06 3.99 4.64 -1.88 0.30 113.55 127.38 2h3i h SER 54 Ca -0.39 0.02 -0.05 0.00 -0.47 0.00 0.00 61.79 60.89 2h3i h SER 54 Cb 1.16 -0.01 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 2h3i h SER 54 CO 0.73 0.06 -0.11 -0.33 -0.87 0.00 0.00 176.83 176.32 2h3i h GLU 55 N 0.16 0.35 0.20 4.77 4.39 -1.93 -2.93 114.58 119.59 2h3i h GLU 55 Ca 0.40 -0.08 -0.01 0.00 0.34 0.00 0.00 59.36 60.01 2h3i h GLU 55 Cb 1.34 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.94 2h3i h GLU 55 CO -0.07 0.47 -0.09 0.78 -1.16 0.00 0.00 179.01 178.94 2h3i h GLY 56 N 0.81 -0.28 0.53 -3.84 0.00 -0.52 -3.00 103.07 96.77 2h3i h GLY 56 Ca 0.07 0.10 0.03 0.00 0.00 0.00 0.00 47.33 47.53 2h3i h GLY 56 CO 0.02 -0.10 -0.16 0.00 0.00 0.00 0.00 176.54 176.30 2h3i h ARG 58 N -0.23 0.19 0.23 0.00 1.12 -1.49 0.38 114.38 114.58 2h3i h ARG 58 Ca 0.07 -0.01 -0.31 0.00 -1.11 0.00 0.00 59.98 58.62 2h3i h ARG 58 Cb 0.33 -0.04 0.03 0.00 -0.01 0.00 0.00 29.97 30.28 2h3i h ARG 58 CO -0.20 0.13 -1.39 0.37 -3.11 0.00 0.00 179.97 175.77 2h3i h GLN 59 N 0.20 0.48 0.85 0.20 -0.00 -1.09 -3.20 115.11 112.54 2h3i h GLN 59 Ca 0.69 -0.82 -0.04 0.00 -0.00 0.00 0.00 58.65 58.48 2h3i h GLN 59 Cb 2.14 0.30 0.01 0.00 0.00 0.00 0.00 27.48 29.93 2h3i h GLN 59 CO -0.29 1.39 -0.41 0.82 0.00 0.00 0.00 178.83 180.35 2h3i h ILE 60 N 0.03 0.07 -0.85 2.39 2.04 0.12 -2.55 117.51 118.76 2h3i h ILE 60 Ca -0.25 -0.12 0.25 0.00 1.00 0.00 0.00 64.86 65.74 2h3i h ILE 60 Cb 2.06 0.08 -0.03 0.00 -0.74 0.00 0.00 36.82 38.18 2h3i h ILE 60 CO 0.24 0.00 0.65 -0.07 0.00 0.00 0.00 178.15 178.98 2h3i h LEU 61 N -1.25 0.00 -0.62 1.44 3.38 -0.89 0.33 115.31 117.70 2h3i h LEU 61 Ca -0.12 0.00 -0.15 0.00 0.09 0.00 0.00 57.88 57.70 2h3i h LEU 61 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 2h3i h LEU 61 CO 0.19 0.00 -0.60 1.23 0.09 0.00 0.00 178.44 179.36 2h3i h GLY 62 N 0.00 0.34 0.83 0.83 0.00 -1.47 0.31 103.07 103.92 2h3i h GLY 62 Ca 0.40 -0.42 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 2h3i h GLY 62 CO -0.00 0.38 -0.38 -1.61 0.00 0.00 0.00 176.54 174.92 2h3i h GLN 63 N 0.23 0.49 0.00 4.80 4.15 0.03 -3.21 115.11 121.60 2h3i h GLN 63 Ca -0.00 -0.35 -0.03 0.00 0.77 0.00 0.00 58.65 59.04 2h3i h GLN 63 Cb 1.11 0.06 -0.00 0.00 0.21 0.00 0.00 27.48 28.85 2h3i h GLN 63 CO 0.10 0.97 -0.25 -0.07 -1.93 0.00 0.00 178.83 177.64 2h3i h LEU 64 N 0.09 0.00 -0.54 -2.39 3.38 -1.46 -3.37 115.31 111.02 2h3i h LEU 64 Ca -0.01 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.01 2h3i h LEU 64 Cb 1.00 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.68 2h3i h LEU 64 CO 0.08 0.12 -0.30 1.67 0.09 0.00 0.00 178.44 180.10 2h3i n GLN 65 N -3.08 -0.22 0.00 1.13 7.27 0.11 -0.01 117.38 122.58 2h3i n GLN 65 Ca 0.03 0.82 -0.13 0.00 0.07 0.00 0.00 57.00 57.79 2h3i n GLN 65 Cb 0.58 -1.20 -0.10 0.00 2.41 0.00 0.00 30.24 31.93 2h3i n GLN 65 CO 0.00 0.00 0.00 -1.00 0.07 0.00 0.00 177.06 176.13 2h3i h PRO 66 N 0.00 -0.04 -0.44 3.69 0.13 -1.77 -3.07 132.00 130.50 2h3i h PRO 66 Ca 0.10 0.00 0.13 0.00 -0.87 0.00 0.00 66.00 65.36 2h3i h PRO 66 Cb 0.24 0.01 -0.02 0.00 0.13 0.00 0.00 31.00 31.36 2h3i h PRO 66 CO -0.51 0.43 0.61 0.77 -0.23 0.00 0.00 178.00 179.07 2h3i h SER 67 N -0.53 0.00 -0.02 1.44 0.02 -0.84 0.39 113.55 114.02 2h3i h SER 67 Ca -0.00 0.00 0.01 0.00 -0.84 0.00 0.00 61.79 60.95 2h3i h SER 67 Cb 0.49 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.03 2h3i h SER 67 CO 0.01 0.00 0.11 -0.07 -1.14 0.00 0.00 176.83 175.74 2h3i h LEU 68 N 0.00 0.00 -0.72 5.07 3.38 -0.33 0.33 115.31 123.04 2h3i h LEU 68 Ca 0.21 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.25 2h3i h LEU 68 Cb 1.43 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.12 2h3i h LEU 68 CO -0.00 0.00 0.41 -0.61 0.09 0.00 0.00 178.44 178.33 2h3i h GLN 69 N 0.00 0.72 -0.31 1.13 5.75 -0.41 -3.31 115.11 118.68 2h3i h GLN 69 Ca 0.01 -0.04 -0.22 0.00 -0.15 0.00 0.00 58.65 58.24 2h3i h GLN 69 Cb 0.23 -0.16 -0.33 0.00 1.07 0.00 0.00 27.48 28.28 2h3i h GLN 69 CO -0.00 0.47 -0.89 0.25 -2.65 0.00 0.00 178.83 176.01 2h3i n THR 70 N -4.76 0.93 -2.59 2.39 -2.24 -0.70 -5.11 114.28 102.19 2h3i n THR 70 Ca 0.10 -2.40 -0.41 0.00 -2.27 0.00 0.00 64.05 59.07 2h3i n THR 70 Cb 0.20 1.23 -0.05 0.00 -2.10 0.00 0.00 70.33 69.61 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 -3.08 3.00 1.24 3.38 0.00 0.11 -5.03 107.32 106.93 2h3i s GLY 71 Ca 0.22 0.76 -0.17 0.00 0.00 0.00 0.00 44.72 45.53 2h3i s GLY 71 CO -0.06 1.47 0.72 -1.14 0.00 0.00 0.00 173.10 174.09 2h3i n SER 72 N 1.87 -2.59 0.01 1.64 3.41 -1.26 -4.34 113.62 112.35 2h3i n SER 72 Ca 0.00 -0.36 0.23 0.00 -0.26 0.00 0.00 58.87 58.48 2h3i n SER 72 Cb 0.46 -1.10 0.69 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.83 0.00 0.12 4.33 4.81 -1.99 -0.75 114.58 118.27 2h3i h GLU 73 Ca -0.54 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 58.68 2h3i h GLU 73 Cb 1.31 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.69 2h3i h GLU 73 CO 0.40 0.00 -0.06 0.93 -0.73 0.00 0.00 179.01 179.55 2h3i h GLU 74 N 0.00 -0.15 -0.98 1.92 5.08 -1.98 -1.33 114.58 117.14 2h3i h GLU 74 Ca 0.27 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.76 2h3i h GLU 74 Cb 1.49 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.69 2h3i h GLU 74 CO -0.00 0.28 0.61 1.25 -1.00 0.00 0.00 179.01 180.15 2h3i h LEU 75 N -0.92 0.89 -0.22 1.33 6.46 -1.46 0.15 115.31 121.52 2h3i h LEU 75 Ca -0.02 0.05 -0.19 0.00 -0.12 0.00 0.00 57.88 57.60 2h3i h LEU 75 Cb 0.51 -0.12 0.00 0.00 -0.73 0.00 0.00 40.66 40.32 2h3i h LEU 75 CO 0.03 0.47 -0.61 -0.09 -0.62 0.00 0.00 178.44 177.61 2h3i h ARG 76 N 0.96 0.81 0.00 1.25 2.43 -1.36 -2.55 114.38 115.91 2h3i h ARG 76 Ca 0.49 -0.57 -0.03 0.00 -0.81 0.00 0.00 59.98 59.06 2h3i h ARG 76 Cb 0.49 0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 30.13 2h3i h ARG 76 CO -0.27 1.19 -0.12 0.77 -1.51 0.00 0.00 179.97 180.04 2h3i h SER 77 N 0.56 0.00 0.06 -3.80 0.02 -0.21 -2.76 113.55 107.42 2h3i h SER 77 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 2h3i h SER 77 Cb 1.23 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.77 2h3i h SER 77 CO 0.13 0.12 -0.03 -0.07 -1.14 0.00 0.00 176.83 175.84 2h3i h LEU 78 N 0.00 -0.07 -0.86 5.07 -0.00 -0.63 -3.17 115.31 115.65 2h3i h LEU 78 Ca -0.00 0.00 0.22 0.00 -0.00 0.00 0.00 57.88 58.10 2h3i h LEU 78 Cb 0.49 0.02 -0.13 0.00 -0.00 0.00 0.00 40.66 41.03 2h3i h LEU 78 CO 0.02 0.31 0.24 0.22 -0.00 0.00 0.00 178.44 179.22 2h3i h TYR 79 N -0.80 0.37 0.17 1.13 3.20 -1.50 0.22 116.97 119.75 2h3i h TYR 79 Ca -0.01 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.91 2h3i h TYR 79 Cb 0.06 -0.03 -0.01 0.00 1.54 0.00 0.00 36.73 38.30 2h3i h TYR 79 CO 0.00 -0.17 -0.22 -0.91 -1.64 0.00 0.00 178.16 175.23 2h3i h ASN 80 N 0.24 -0.62 0.23 -2.11 -0.26 -1.62 0.14 115.58 111.58 2h3i h ASN 80 Ca 0.53 0.05 0.01 0.00 -0.56 0.00 0.00 56.30 56.33 2h3i h ASN 80 Cb 1.03 0.21 -0.03 0.00 -1.06 0.00 0.00 38.32 38.47 2h3i h ASN 80 CO -0.62 -0.27 -0.30 0.74 -1.06 0.00 0.00 177.43 175.92 2h3i h THR 81 N -0.40 0.36 -0.83 2.81 2.02 -1.36 -2.37 112.91 113.14 2h3i h THR 81 Ca -0.02 0.00 0.21 0.00 0.77 0.00 0.00 66.41 67.37 2h3i h THR 81 Cb 0.36 0.36 -0.13 0.00 -1.74 0.00 0.00 68.15 66.99 2h3i h THR 81 CO -0.05 0.00 0.19 0.40 0.37 0.00 0.00 175.52 176.43 2h3i h ILE 82 N -0.59 0.37 -0.23 3.11 2.04 -0.56 -0.05 117.51 121.60 2h3i h ILE 82 Ca 0.00 -0.08 0.06 0.00 1.00 0.00 0.00 64.86 65.85 2h3i h ILE 82 Cb 0.57 0.14 -0.06 0.00 -0.74 0.00 0.00 36.82 36.72 2h3i h ILE 82 CO -0.11 0.04 -0.18 0.00 0.00 0.00 0.00 178.15 177.90 2h3i h ALA 83 N 1.73 -0.03 -0.56 1.87 0.00 -0.18 0.11 119.26 122.20 2h3i h ALA 83 Ca 0.50 0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.58 2h3i h ALA 83 Cb 0.95 0.39 -0.07 0.00 0.00 0.00 0.00 17.79 19.06 2h3i h ALA 83 CO -0.62 -0.60 0.17 0.28 0.00 0.00 0.00 179.25 178.48 2h3i h VAL 84 N -0.18 0.74 0.01 0.00 2.07 -0.79 -2.24 116.25 115.86 2h3i h VAL 84 Ca 0.13 -0.11 -0.00 0.00 0.82 0.00 0.00 66.70 67.54 2h3i h VAL 84 Cb 0.38 0.38 0.00 0.00 -1.52 0.00 0.00 31.29 30.53 2h3i h VAL 84 CO -0.34 0.06 -0.00 0.25 0.02 0.00 0.00 177.57 177.56 2h3i h LEU 85 N 0.32 -0.01 -0.71 2.57 5.85 -0.88 -1.58 115.31 120.89 2h3i h LEU 85 Ca 0.29 -0.05 0.12 0.00 0.84 0.00 0.00 57.88 59.07 2h3i h LEU 85 Cb 0.37 0.00 -0.13 0.00 0.37 0.00 0.00 40.66 41.28 2h3i h LEU 85 CO -0.32 0.05 -0.37 0.22 -0.34 0.00 0.00 178.44 177.67 2h3i h TYR 86 N -0.06 -1.04 -0.30 1.25 3.20 -0.41 0.44 116.97 120.05 2h3i h TYR 86 Ca -0.00 0.08 -0.06 0.00 3.14 0.00 0.00 58.73 61.89 2h3i h TYR 86 Cb 0.06 0.56 -0.02 0.00 1.54 0.00 0.00 36.73 38.87 2h3i h TYR 86 CO -0.06 -0.39 -0.07 0.00 -1.64 0.00 0.00 178.16 176.00 2h3i h VAL 88 N 0.46 1.11 0.03 0.00 2.07 0.82 0.33 116.25 121.07 2h3i h VAL 88 Ca 0.09 -0.52 -0.23 0.00 0.82 0.00 0.00 66.70 66.86 2h3i h VAL 88 Cb 0.40 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 2h3i h VAL 88 CO 0.02 0.15 -1.13 0.45 0.02 0.00 0.00 177.57 177.09 2h3i h HIS 89 N 0.05 0.10 -0.41 1.57 -0.00 -0.39 -3.26 115.15 112.82 2h3i h HIS 89 Ca 0.01 -0.07 -0.15 0.00 -0.00 0.00 0.00 60.37 60.16 2h3i h HIS 89 Cb 0.26 -0.00 -0.09 0.00 -0.00 0.00 0.00 27.41 27.58 2h3i h HIS 89 CO 0.00 1.06 0.18 1.04 -0.00 0.00 0.00 177.93 180.22 2h3i n GLN 90 N -3.36 2.22 -2.03 2.45 1.13 -0.93 -4.84 117.38 112.03 2h3i n GLN 90 Ca -0.04 -1.54 -0.16 0.00 -1.94 0.00 0.00 57.00 53.32 2h3i n GLN 90 Cb 0.97 -1.72 -0.03 0.00 0.11 0.00 0.00 30.24 29.56 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 -0.04 -1.72 -3.09 -1.09 3.00 -1.15 -4.92 116.66 107.64 2h3i n ARG 91 Ca 0.23 0.85 -0.41 0.00 -0.00 0.00 0.00 57.85 58.52 2h3i n ARG 91 Cb 0.93 -5.35 -0.06 0.00 0.00 0.00 0.00 32.46 27.98 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 -2.63 4.90 -0.43 5.15 1.01 0.11 -5.02 121.20 124.29 2h3i s ILE 92 Ca 0.00 0.77 -0.24 0.00 0.00 0.00 0.00 60.65 61.18 2h3i s ILE 92 Cb 0.00 -4.05 0.02 0.00 0.01 0.00 0.00 42.46 38.44 2h3i s ILE 92 CO 0.00 -0.23 0.82 1.51 0.00 0.00 0.00 174.94 177.04 2h3i s ASP 93 N 1.71 6.47 0.36 3.58 -4.77 -1.26 -4.05 116.67 118.71 2h3i s ASP 93 Ca 0.26 0.08 0.04 0.00 -3.30 0.00 0.00 52.55 49.62 2h3i s ASP 93 Cb -0.15 -2.41 -0.01 0.00 -1.09 0.00 0.00 42.92 39.27 2h3i s ASP 93 CO 0.13 -0.90 0.53 0.68 0.70 0.00 0.00 175.17 176.30 2h3i s VAL 94 N 3.36 4.28 -0.42 2.11 -7.23 -1.26 -5.02 120.40 116.21 2h3i s VAL 94 Ca 0.32 -0.80 0.19 0.00 -1.81 0.00 0.00 61.98 59.88 2h3i s VAL 94 Cb -0.12 -3.52 -0.26 0.00 0.56 0.00 0.00 36.38 33.04 2h3i s VAL 94 CO 0.22 -0.26 0.60 0.29 -0.31 0.00 0.00 175.10 175.64 2h3i n LYS 95 N -1.76 0.67 0.00 4.82 4.01 -1.26 -4.84 118.16 119.80 2h3i n LYS 95 Ca -0.01 -0.10 0.00 0.00 -0.51 0.00 0.00 58.31 57.69 2h3i n LYS 95 Cb 0.58 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.67 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -1.11 0.00 0.00 177.40 175.89 2h3i n ASP 96 N -1.84 0.00 0.00 4.39 5.68 -1.26 -4.23 116.55 119.29 2h3i n ASP 96 Ca -0.00 0.00 0.11 0.00 -0.50 0.00 0.00 54.79 54.40 2h3i n ASP 96 Cb 0.41 0.00 0.52 0.00 -1.14 0.00 0.00 41.12 40.91 2h3i n ASP 96 CO 0.00 0.00 0.00 0.41 -1.33 0.00 0.00 177.20 176.28 2h3i n THR 97 N -0.10 0.38 0.01 2.12 -1.04 -1.21 -3.17 114.28 111.28 2h3i n THR 97 Ca 0.00 0.10 -0.18 0.00 -2.04 0.00 0.00 64.05 61.92 2h3i n THR 97 Cb 0.00 -0.71 -0.10 0.00 -1.82 0.00 0.00 70.33 67.69 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 0.55 0.00 -2.82 3.64 -1.86 -3.15 116.57 112.93 2h3i h LYS 98 Ca 0.00 -0.56 0.00 0.00 -1.27 0.00 0.00 60.65 58.82 2h3i h LYS 98 Cb 0.30 0.15 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 2h3i h LYS 98 CO 0.00 1.19 0.00 0.39 -2.27 0.00 0.00 179.45 178.76 2h3i n GLU 99 N -4.08 0.00 -0.22 1.90 -0.58 -1.19 -2.48 120.64 113.99 2h3i n GLU 99 Ca -0.10 0.28 0.22 0.00 -0.42 0.00 0.00 57.16 57.14 2h3i n GLU 99 Cb 0.74 -0.95 0.41 0.00 -0.57 0.00 0.00 31.44 31.06 2h3i n GLU 99 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2h3i n ALA 100 N -1.33 0.72 0.19 0.62 0.00 -1.23 -0.03 120.51 119.44 2h3i n ALA 100 Ca 0.00 0.69 -0.07 0.00 0.00 0.00 0.00 53.44 54.05 2h3i n ALA 100 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 19.45 18.72 2h3i n ALA 100 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 2h3i h LEU 101 N 0.00 -0.41 -0.54 0.00 3.38 -1.63 -1.88 115.31 114.22 2h3i h LEU 101 Ca 0.58 0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.65 2h3i h LEU 101 Cb 1.56 0.11 -0.07 0.00 0.09 0.00 0.00 40.66 42.35 2h3i h LEU 101 CO -0.51 -0.24 0.17 -0.78 0.09 0.00 0.00 178.44 177.17 2h3i h ASP 102 N -0.60 0.14 -0.39 -0.43 3.58 -0.16 -0.26 116.42 118.31 2h3i h ASP 102 Ca -0.05 0.08 0.08 0.00 0.42 0.00 0.00 57.03 57.56 2h3i h ASP 102 Cb 0.37 0.07 -0.08 0.00 1.72 0.00 0.00 39.33 41.41 2h3i h ASP 102 CO 0.08 0.10 -0.15 0.50 -2.88 0.00 0.00 179.24 176.89 2h3i h LYS 103 N 0.34 -0.07 0.00 0.28 1.63 -0.50 0.34 116.57 118.59 2h3i h LYS 103 Ca 0.27 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 60.04 2h3i h LYS 103 Cb 0.33 0.02 -0.01 0.00 -0.60 0.00 0.00 32.23 31.97 2h3i h LYS 103 CO -0.29 -0.04 -0.18 0.82 -3.45 0.00 0.00 179.45 176.30 2h3i h ILE 104 N -0.07 0.56 -0.02 2.00 2.04 -0.67 0.17 117.51 121.54 2h3i h ILE 104 Ca 0.19 -0.85 -0.15 0.00 1.00 0.00 0.00 64.86 65.05 2h3i h ILE 104 Cb 0.36 1.57 0.01 0.00 -0.74 0.00 0.00 36.82 38.02 2h3i h ILE 104 CO -0.44 0.18 -0.58 -0.33 0.00 0.00 0.00 178.15 176.98 2h3i h GLU 105 N 0.00 0.42 0.06 2.37 5.08 0.10 -3.00 114.58 119.61 2h3i h GLU 105 Ca -0.00 -0.43 -0.14 0.00 -1.00 0.00 0.00 59.36 57.79 2h3i h GLU 105 Cb 0.56 0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.94 2h3i h GLU 105 CO 0.02 1.09 -0.58 0.93 -1.00 0.00 0.00 179.01 179.48 2h3i h GLU 106 N -0.08 0.29 -0.99 2.33 4.39 -0.32 -2.88 114.58 117.31 2h3i h GLU 106 Ca -0.07 -0.39 0.18 0.00 0.34 0.00 0.00 59.36 59.42 2h3i h GLU 106 Cb 1.28 0.13 -0.10 0.00 -0.10 0.00 0.00 28.75 29.96 2h3i h GLU 106 CO 0.11 1.12 0.60 0.93 -1.16 0.00 0.00 179.01 180.62 2h3i h GLU 107 N -0.36 0.77 -0.10 2.33 5.08 -0.79 0.38 114.58 121.88 2h3i h GLU 107 Ca -0.09 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.04 2h3i h GLU 107 Cb 1.37 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 30.45 2h3i h GLU 107 CO 0.11 0.51 -0.72 1.96 -1.00 0.00 0.00 179.01 179.87 2h3i h GLN 108 N 0.79 0.47 -0.19 2.33 1.08 -1.60 -3.10 115.11 114.89 2h3i h GLN 108 Ca 0.56 -0.37 0.02 0.00 -1.45 0.00 0.00 58.65 57.41 2h3i h GLN 108 Cb 0.82 0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.32 2h3i h GLN 108 CO -0.37 1.01 0.13 -0.97 -0.95 0.00 0.00 178.83 177.68 2h3i h ASN 109 N 0.32 0.15 0.39 1.46 -1.24 -0.71 -0.41 115.58 115.54 2h3i h ASN 109 Ca -0.03 -0.00 -0.05 0.00 0.71 0.00 0.00 56.30 56.93 2h3i h ASN 109 Cb 1.30 -0.04 -0.01 0.00 0.73 0.00 0.00 38.32 40.31 2h3i h ASN 109 CO 0.13 0.10 -0.25 0.50 -1.29 0.00 0.00 177.43 176.62 2h3i h LYS 110 N 0.17 0.00 -0.75 6.67 3.64 -1.30 -2.33 116.57 122.67 2h3i h LYS 110 Ca 0.08 0.00 -0.30 0.00 -1.27 0.00 0.00 60.65 59.15 2h3i h LYS 110 Cb 0.09 0.00 -0.18 0.00 -0.41 0.00 0.00 32.23 31.73 2h3i h LYS 110 CO -0.01 0.25 0.34 0.43 -2.27 0.00 0.00 179.45 178.18 2h3i n SER 111 N -3.91 4.11 0.01 4.20 7.64 -0.18 -4.58 113.62 120.92 2h3i n SER 111 Ca -0.02 -3.42 0.19 0.00 1.01 0.00 0.00 58.87 56.63 2h3i n SER 111 Cb 0.33 -0.75 0.67 0.00 -1.01 0.00 0.00 64.21 63.45 2h3i n SER 111 CO 0.00 0.00 0.00 0.50 -3.01 0.00 0.00 175.04 172.53 2h3i h LYS 112 N 1.84 0.04 -1.00 1.43 3.64 -1.27 0.19 116.57 121.44 2h3i h LYS 112 Ca 0.37 -0.00 -0.44 0.00 -1.27 0.00 0.00 60.65 59.31 2h3i h LYS 112 Cb 2.38 -0.01 -0.26 0.00 -0.41 0.00 0.00 32.23 33.94 2h3i h LYS 112 CO 0.79 0.02 0.55 0.36 -2.27 0.00 0.00 179.45 178.91 2h3i n LYS 113 N -4.40 2.07 -0.84 1.90 2.85 -1.26 -4.03 118.16 114.46 2h3i n LYS 113 Ca 0.09 -2.54 -0.05 0.00 -1.05 0.00 0.00 58.31 54.76 2h3i n LYS 113 Cb 0.56 -2.00 -0.05 0.00 -0.65 0.00 0.00 35.03 32.89 2h3i n LYS 113 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2h3i n LYS 114 N -0.88 0.00 0.00 -1.58 4.81 0.62 -4.96 118.16 116.16 2h3i n LYS 114 Ca 0.51 -0.67 0.00 0.00 -0.87 0.00 0.00 58.31 57.27 2h3i n LYS 114 Cb 1.49 0.34 0.00 0.00 0.02 0.00 0.00 35.03 36.88 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 0.00 2.42 -0.04 3.14 0.00 -0.98 -4.82 120.51 120.23 2h3i n ALA 115 Ca -0.19 0.00 0.23 0.00 0.00 0.00 0.00 53.44 53.48 2h3i n ALA 115 Cb 0.63 0.06 0.71 0.00 0.00 0.00 0.00 19.45 20.85 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 0.00 -0.70 0.00 7.50 -1.83 0.73 115.11 120.81 2h3i h GLN 116 Ca 0.00 0.00 0.10 0.00 0.50 0.00 0.00 58.65 59.25 2h3i h GLN 116 Cb 0.11 0.00 -0.05 0.00 0.05 0.00 0.00 27.48 27.60 2h3i h GLN 116 CO 0.00 0.00 0.46 1.96 -1.50 0.00 0.00 178.83 179.75 2h3i h GLN 117 N 0.00 0.56 -0.58 1.46 4.20 -1.89 -0.62 115.11 118.23 2h3i h GLN 117 Ca 0.29 -0.03 -0.31 0.00 0.06 0.00 0.00 58.65 58.66 2h3i h GLN 117 Cb 1.22 -0.13 -0.18 0.00 0.30 0.00 0.00 27.48 28.69 2h3i h GLN 117 CO -0.00 0.37 0.17 0.00 -0.67 0.00 0.00 178.83 178.70 2h3i n ALA 118 N -2.48 4.81 -2.10 3.87 0.00 0.24 -4.41 120.51 120.44 2h3i n ALA 118 Ca 0.12 -3.09 -0.04 0.00 0.00 0.00 0.00 53.44 50.42 2h3i n ALA 118 Cb 0.34 -0.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.76 2h3i n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 119 N -1.13 3.40 -2.22 0.00 0.00 -0.31 -4.92 120.51 115.33 2h3i n ALA 119 Ca 0.43 -0.99 0.04 0.00 0.00 0.00 0.00 53.44 52.92 2h3i n ALA 119 Cb 1.25 -0.40 0.05 0.00 0.00 0.00 0.00 19.45 20.35 2h3i n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3i n ALA 120 N 0.10 2.47 -1.58 0.00 0.00 -0.77 -4.82 120.51 115.90 2h3i n ALA 120 Ca -0.20 -2.24 -0.10 0.00 0.00 0.00 0.00 53.44 50.91 2h3i n ALA 120 Cb 0.78 -0.62 0.16 0.00 0.00 0.00 0.00 19.45 19.76 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2h3i n ASP 121 N 0.09 3.26 -4.15 0.00 9.92 -1.26 -4.99 116.55 119.41 2h3i n ASP 121 Ca 0.07 -3.81 -0.24 0.00 -0.53 0.00 0.00 54.79 50.29 2h3i n ASP 121 Cb 0.98 -0.59 -0.15 0.00 -0.64 0.00 0.00 41.12 40.71 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 2h3i s THR 122 N -3.65 1.30 -0.82 -3.53 -4.23 -1.26 -5.07 115.64 98.38 2h3i s THR 122 Ca 0.47 -0.78 -0.25 0.00 -1.18 0.00 0.00 61.69 59.95 2h3i s THR 122 Cb 0.41 -1.09 -0.05 0.00 1.34 0.00 0.00 72.50 73.11 2h3i s THR 122 CO -0.01 0.30 1.98 -0.83 -0.54 0.00 0.00 174.62 175.52 2h3i s GLY 123 N -0.54 0.09 -0.68 3.99 0.00 -1.26 -4.90 107.32 104.01 2h3i s GLY 123 Ca 0.06 -1.23 -0.26 0.00 0.00 0.00 0.00 44.72 43.29 2h3i s GLY 123 CO -0.00 3.55 1.85 0.21 0.00 0.00 0.00 173.10 178.71 2h3i s ASN 124 N 8.37 5.29 -1.25 1.64 2.47 -1.26 -4.87 114.94 125.32 2h3i s ASN 124 Ca 0.72 0.08 -0.06 0.00 0.42 0.00 0.00 52.86 54.02 2h3i s ASN 124 Cb -0.09 -2.54 0.18 0.00 -1.45 0.00 0.00 41.25 37.35 2h3i s ASN 124 CO 0.05 -2.43 2.09 0.59 -3.72 0.00 0.00 177.10 173.68 2h3i n ASN 125 N 12.85 7.01 -4.98 -4.21 4.13 -1.26 -4.97 115.26 123.83 2h3i n ASN 125 Ca 0.24 -3.23 -0.20 0.00 1.68 0.00 0.00 54.58 53.07 2h3i n ASN 125 Cb 0.51 -1.36 0.00 0.00 -1.54 0.00 0.00 39.78 37.39 2h3i n ASN 125 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2h3i s SER 126 N 0.06 5.90 0.37 6.41 0.01 -1.26 -5.12 113.70 120.07 2h3i s SER 126 Ca 0.46 -0.06 -0.08 0.00 1.31 0.00 0.00 55.95 57.59 2h3i s SER 126 Cb 0.15 -1.28 0.03 0.00 0.21 0.00 0.00 66.02 65.12 2h3i s SER 126 CO -0.05 -0.54 0.62 -1.58 0.41 0.00 0.00 173.24 172.09 2h3i s GLN 127 N -4.31 2.09 0.33 12.44 0.74 -1.26 -5.15 119.66 124.55 2h3i s GLN 127 Ca 0.47 -1.66 -0.28 0.00 0.05 0.00 0.00 55.36 53.94 2h3i s GLN 127 Cb -0.10 0.53 -0.10 0.00 1.10 0.00 0.00 33.01 34.44 2h3i s GLN 127 CO 0.33 -0.92 1.26 0.14 -0.55 0.00 0.00 175.29 175.55 2h3i s VAL 128 N -2.63 2.87 -0.39 1.34 -7.23 -1.26 -5.01 120.40 108.09 2h3i s VAL 128 Ca 0.24 0.86 0.01 0.00 -1.81 0.00 0.00 61.98 61.28 2h3i s VAL 128 Cb -0.03 -3.54 0.14 0.00 0.56 0.00 0.00 36.38 33.51 2h3i s VAL 128 CO 0.17 0.20 0.22 -0.44 -0.31 0.00 0.00 175.10 174.93 2h3i s SER 129 N -0.60 3.33 0.56 4.85 0.01 -1.26 -5.12 113.70 115.46 2h3i s SER 129 Ca 0.49 -2.34 0.09 0.00 1.31 0.00 0.00 55.95 55.50 2h3i s SER 129 Cb -0.38 -0.70 0.07 0.00 0.21 0.00 0.00 66.02 65.23 2h3i s SER 129 CO 0.50 -0.30 0.70 0.00 0.41 0.00 0.00 173.24 174.55 2h3i s GLN 130 N 0.80 2.31 0.18 12.44 -2.07 -1.26 -5.15 119.66 126.92 2h3i s GLN 130 Ca 0.17 -1.71 -0.23 0.00 -1.82 0.00 0.00 55.36 51.77 2h3i s GLN 130 Cb -0.23 -2.53 0.06 0.00 -1.09 0.00 0.00 33.01 29.21 2h3i s GLN 130 CO -0.01 -0.79 0.71 -0.80 -1.32 0.00 0.00 175.29 173.08 2h3i s ASN 131 N -4.57 -0.41 0.00 12.60 0.01 -1.26 -5.32 114.94 115.99 2h3i s ASN 131 Ca 0.56 -0.24 0.04 0.00 -0.71 0.00 0.00 52.86 52.51 2h3i s ASN 131 Cb -0.05 0.61 0.03 0.00 0.41 0.00 0.00 41.25 42.25 2h3i s ASN 131 CO 0.35 -1.04 0.63 -1.22 -1.51 0.00 0.00 177.10 174.30