#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 0.00 -3.64 4.61 0.00 -1.26 -5.14 120.51 115.09 2h3i n ALA 3 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 2h3i n ALA 3 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 2h3i n ALA 3 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.50 178.00 2h3i s ARG 4 N -1.91 0.72 0.33 0.00 3.52 -1.26 -5.18 118.95 115.17 2h3i s ARG 4 Ca 0.00 1.16 0.04 0.00 -0.13 0.00 0.00 55.73 56.80 2h3i s ARG 4 Cb 0.00 0.19 -0.02 0.00 -1.56 0.00 0.00 34.95 33.57 2h3i s ARG 4 CO 0.00 -0.14 0.34 0.00 -0.81 0.00 0.00 175.30 174.69 2h3i n ALA 5 N 3.95 0.35 -3.86 6.12 0.00 -1.26 -5.13 120.51 120.68 2h3i n ALA 5 Ca -0.19 -1.77 -0.34 0.00 0.00 0.00 0.00 53.44 51.14 2h3i n ALA 5 Cb 0.58 1.43 -0.13 0.00 0.00 0.00 0.00 19.45 21.34 2h3i n ALA 5 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 2h3i s SER 6 N -3.19 4.93 -0.10 0.00 0.15 -1.26 -4.87 113.70 109.35 2h3i s SER 6 Ca 0.35 -2.46 0.04 0.00 0.70 0.00 0.00 55.95 54.58 2h3i s SER 6 Cb 0.01 -1.74 -0.09 0.00 -1.71 0.00 0.00 66.02 62.49 2h3i s SER 6 CO 0.25 -0.40 -0.04 0.52 1.20 0.00 0.00 173.24 174.77 2h3i n VAL 7 N 3.94 0.62 -2.65 4.45 0.31 -1.26 -4.99 118.33 118.75 2h3i n VAL 7 Ca 0.03 -0.30 -0.42 0.00 -0.01 0.00 0.00 64.34 63.64 2h3i n VAL 7 Cb 0.39 -0.84 -0.04 0.00 -0.91 0.00 0.00 33.84 32.44 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 -5.20 4.43 0.00 7.52 1.43 -1.26 -5.05 118.68 120.55 2h3i s LEU 8 Ca -0.10 1.81 0.00 0.00 -1.03 0.00 0.00 54.13 54.81 2h3i s LEU 8 Cb 0.03 -3.58 0.00 0.00 0.03 0.00 0.00 46.19 42.67 2h3i s LEU 8 CO 0.30 -0.21 0.00 -0.24 0.23 0.00 0.00 176.35 176.43 2h3i n SER 9 N 3.31 0.00 -0.11 2.29 2.88 -1.26 -4.93 113.62 115.80 2h3i n SER 9 Ca 0.05 -0.71 -0.24 0.00 -1.33 0.00 0.00 58.87 56.63 2h3i n SER 9 Cb 0.49 0.00 -0.11 0.00 -0.75 0.00 0.00 64.21 63.84 2h3i n SER 9 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2h3i n GLY 10 N 5.00 -0.71 0.24 0.46 0.00 -1.26 -3.24 105.19 105.69 2h3i n GLY 10 Ca 0.00 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.87 0.00 0.80 -0.02 0.00 -2.01 -3.16 103.07 97.80 2h3i h GLY 11 Ca -0.47 0.00 -0.31 0.00 0.00 0.00 0.00 47.33 46.55 2h3i h GLY 11 CO -0.27 0.00 -1.52 -2.09 0.00 0.00 0.00 176.54 172.66 2h3i h GLU 12 N 0.00 0.35 -0.99 4.80 4.57 -1.97 -3.30 114.58 118.04 2h3i h GLU 12 Ca -0.00 -0.60 0.19 0.00 -1.18 0.00 0.00 59.36 57.77 2h3i h GLU 12 Cb 0.67 0.22 -0.10 0.00 -0.16 0.00 0.00 28.75 29.39 2h3i h GLU 12 CO 0.02 1.29 0.61 1.25 -1.18 0.00 0.00 179.01 181.00 2h3i h LEU 13 N -0.08 0.69 -0.83 1.64 5.85 -1.52 0.31 115.31 121.38 2h3i h LEU 13 Ca -0.30 0.08 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 2h3i h LEU 13 Cb 1.95 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 42.92 2h3i h LEU 13 CO 0.14 0.25 -0.32 -0.78 -0.34 0.00 0.00 178.44 177.40 2h3i h ASP 14 N 0.68 0.52 0.23 1.25 1.82 -1.68 -3.01 116.42 116.23 2h3i h ASP 14 Ca 0.55 -0.20 -0.23 0.00 -0.39 0.00 0.00 57.03 56.77 2h3i h ASP 14 Cb 0.97 -0.14 0.01 0.00 0.68 0.00 0.00 39.33 40.84 2h3i h ASP 14 CO -0.33 0.81 -0.91 0.11 -1.61 0.00 0.00 179.24 177.31 2h3i h LYS 15 N 0.44 0.49 -0.89 0.28 6.56 -0.70 -2.84 116.57 119.91 2h3i h LYS 15 Ca 0.05 -0.50 0.07 0.00 -1.06 0.00 0.00 60.65 59.22 2h3i h LYS 15 Cb 0.77 0.13 -0.06 0.00 -0.57 0.00 0.00 32.23 32.50 2h3i h LYS 15 CO 0.06 1.14 0.58 2.35 -2.06 0.00 0.00 179.45 181.52 2h3i h TRP 16 N 0.29 1.01 -0.00 -1.35 2.91 -0.45 0.73 115.95 119.09 2h3i h TRP 16 Ca -0.08 0.03 0.00 0.00 1.13 0.00 0.00 58.89 59.97 2h3i h TRP 16 Cb 1.54 -0.33 0.00 0.00 -0.51 0.00 0.00 29.16 29.86 2h3i h TRP 16 CO 0.07 0.51 -0.24 0.39 -1.03 0.00 0.00 178.44 178.14 2h3i n GLU 17 N -4.50 0.19 0.03 2.65 1.02 -1.15 -3.40 120.64 115.49 2h3i n GLU 17 Ca 0.14 -0.07 0.12 0.00 -0.02 0.00 0.00 57.16 57.33 2h3i n GLU 17 Cb 0.22 -1.50 0.23 0.00 -0.02 0.00 0.00 31.44 30.37 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 -1.34 0.16 -2.90 3.49 4.81 0.20 -4.20 118.16 118.38 2h3i n LYS 18 Ca 0.08 0.05 -0.40 0.00 -0.87 0.00 0.00 58.31 57.17 2h3i n LYS 18 Cb 0.32 -1.60 -0.05 0.00 0.02 0.00 0.00 35.03 33.72 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 -3.09 4.48 0.81 3.15 1.01 -0.89 -4.95 121.20 121.72 2h3i s ILE 19 Ca 0.08 1.80 -0.12 0.00 0.00 0.00 0.00 60.65 62.42 2h3i s ILE 19 Cb 0.15 -4.19 0.09 0.00 0.01 0.00 0.00 42.46 38.52 2h3i s ILE 19 CO 0.70 0.42 1.17 -0.13 0.00 0.00 0.00 174.94 177.10 2h3i s ARG 20 N -0.53 1.88 -0.25 2.79 0.52 -1.26 -1.07 118.95 121.03 2h3i s ARG 20 Ca 0.40 0.01 -0.03 0.00 -0.52 0.00 0.00 55.73 55.59 2h3i s ARG 20 Cb -0.23 -1.97 -0.14 0.00 0.52 0.00 0.00 34.95 33.13 2h3i s ARG 20 CO 0.27 -1.62 -0.26 1.28 0.02 0.00 0.00 175.30 174.99 2h3i n LEU 21 N -3.30 2.62 -4.80 2.53 4.77 0.12 -3.33 117.00 115.60 2h3i n LEU 21 Ca 0.09 0.01 -0.22 0.00 -0.03 0.00 0.00 56.01 55.85 2h3i n LEU 21 Cb 0.61 -0.83 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2h3i n LEU 21 CO 0.55 0.80 -0.11 -0.13 -1.33 0.00 0.00 177.39 177.17 2h3i s ARG 22 N -2.49 2.45 -0.02 3.23 0.52 -1.26 -3.73 118.95 117.65 2h3i s ARG 22 Ca -0.34 -1.56 -0.26 0.00 -0.52 0.00 0.00 55.73 53.05 2h3i s ARG 22 Cb 0.10 -2.25 -0.20 0.00 0.52 0.00 0.00 34.95 33.12 2h3i s ARG 22 CO 0.53 -0.03 1.27 -1.00 0.02 0.00 0.00 175.30 176.09 2h3i h PRO 23 N 1.32 0.01 -0.44 3.54 0.13 -1.94 -3.32 132.00 131.29 2h3i h PRO 23 Ca -0.43 -0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.46 2h3i h PRO 23 Cb 1.26 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.25 2h3i h PRO 23 CO 0.62 0.49 -0.01 0.41 -0.23 0.00 0.00 178.00 179.28 2h3i n GLY 24 N 0.23 4.92 0.00 1.56 0.00 -1.26 -4.93 105.19 105.71 2h3i n GLY 24 Ca -0.08 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.68 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 -1.12 2.92 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.66 2h3i n GLY 25 Ca 0.37 -2.13 0.00 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.53 -0.40 -2.46 1.61 5.02 -1.26 -4.90 118.16 115.23 2h3i n LYS 26 Ca 0.00 -0.25 -0.38 0.00 -2.02 0.00 0.00 58.31 55.65 2h3i n LYS 26 Cb 0.00 -0.73 -0.04 0.00 -0.02 0.00 0.00 35.03 34.24 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 -0.01 4.30 0.29 1.97 1.02 -1.26 -4.94 119.74 121.11 2h3i s LYS 27 Ca 0.00 1.68 0.02 0.00 0.02 0.00 0.00 55.97 57.69 2h3i s LYS 27 Cb 0.00 -2.80 0.02 0.00 -0.52 0.00 0.00 37.83 34.53 2h3i s LYS 27 CO 0.00 -0.06 0.13 1.04 -0.92 0.00 0.00 175.35 175.55 2h3i n GLN 28 N 0.40 1.16 -3.92 1.68 3.00 -1.26 0.12 117.38 118.56 2h3i n GLN 28 Ca 0.03 -1.94 -0.32 0.00 -0.01 0.00 0.00 57.00 54.76 2h3i n GLN 28 Cb 0.47 0.34 -0.04 0.00 0.00 0.00 0.00 30.24 31.01 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 -1.70 3.52 0.14 1.08 2.02 -0.24 -4.57 117.35 117.60 2h3i s TYR 29 Ca 0.10 0.28 -0.03 0.00 -0.37 0.00 0.00 57.07 57.04 2h3i s TYR 29 Cb -0.01 -1.78 -0.03 0.00 -0.40 0.00 0.00 41.96 39.75 2h3i s TYR 29 CO 0.06 0.61 0.12 0.21 -1.57 0.00 0.00 175.55 174.98 2h3i s LYS 30 N -2.32 0.98 0.28 -0.62 2.20 -1.26 -4.05 119.74 114.96 2h3i s LYS 30 Ca 0.32 -1.35 -0.01 0.00 -0.36 0.00 0.00 55.97 54.57 2h3i s LYS 30 Cb -0.13 0.28 0.64 0.00 -1.51 0.00 0.00 37.83 37.11 2h3i s LYS 30 CO 0.25 -0.30 1.60 -0.07 -0.36 0.00 0.00 175.35 176.47 2h3i h LEU 31 N 2.78 -0.38 -0.87 5.43 4.07 -1.99 0.16 115.31 124.50 2h3i h LEU 31 Ca -0.34 0.24 0.23 0.00 0.08 0.00 0.00 57.88 58.09 2h3i h LEU 31 Cb 1.21 0.41 -0.16 0.00 1.08 0.00 0.00 40.66 43.20 2h3i h LEU 31 CO 0.56 -0.27 -0.03 0.29 -1.08 0.00 0.00 178.44 177.91 2h3i n LYS 32 N -5.41 -0.07 -0.14 1.13 5.02 -1.26 0.12 118.16 117.55 2h3i n LYS 32 Ca 0.20 1.31 -0.10 0.00 -2.02 0.00 0.00 58.31 57.70 2h3i n LYS 32 Cb 0.65 -2.06 -0.01 0.00 -0.02 0.00 0.00 35.03 33.58 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 0.77 0.82 2.13 3.86 -1.10 -1.20 115.15 120.44 2h3i h HIS 33 Ca 0.51 -0.14 -0.04 0.00 -1.16 0.00 0.00 60.37 59.54 2h3i h HIS 33 Cb 1.00 -0.20 -0.00 0.00 1.06 0.00 0.00 27.41 29.27 2h3i h HIS 33 CO -0.49 0.79 -0.49 0.82 0.86 0.00 0.00 177.93 179.42 2h3i h ILE 34 N 0.53 0.00 -0.31 2.45 2.04 0.90 -1.44 117.51 121.68 2h3i h ILE 34 Ca 0.11 0.00 0.06 0.00 1.00 0.00 0.00 64.86 66.03 2h3i h ILE 34 Cb 0.48 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.50 2h3i h ILE 34 CO 0.02 0.00 -0.07 0.58 0.00 0.00 0.00 178.15 178.68 2h3i h VAL 35 N -1.22 0.70 0.00 1.67 2.07 -1.29 0.30 116.25 118.49 2h3i h VAL 35 Ca -0.11 -0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.40 2h3i h VAL 35 Cb 0.97 0.69 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 2h3i h VAL 35 CO 0.12 0.00 0.12 -0.25 0.02 0.00 0.00 177.57 177.58 2h3i h TRP 36 N 0.01 0.00 0.00 1.57 7.01 -1.13 -0.73 115.95 122.69 2h3i h TRP 36 Ca 0.15 0.00 -0.18 0.00 2.11 0.00 0.00 58.89 60.97 2h3i h TRP 36 Cb 0.23 0.00 -0.03 0.00 -2.10 0.00 0.00 29.16 27.26 2h3i h TRP 36 CO -0.29 0.00 -1.19 0.00 -2.79 0.00 0.00 178.44 174.17 2h3i n ALA 37 N -2.01 0.74 0.09 2.65 0.00 0.49 -3.40 120.51 119.08 2h3i n ALA 37 Ca -0.03 -0.56 0.17 0.00 0.00 0.00 0.00 53.44 53.03 2h3i n ALA 37 Cb 0.18 -0.30 0.71 0.00 0.00 0.00 0.00 19.45 20.04 2h3i n ALA 37 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2h3i h SER 38 N -1.00 0.00 1.63 0.00 4.64 -0.20 0.31 113.55 118.92 2h3i h SER 38 Ca -0.28 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.04 2h3i h SER 38 Cb 1.11 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.20 2h3i h SER 38 CO -0.17 0.00 -0.36 0.03 -0.87 0.00 0.00 176.83 175.46 2h3i h ARG 39 N 0.00 0.00 0.18 4.77 3.08 -1.32 -3.33 114.38 117.77 2h3i h ARG 39 Ca 0.17 0.00 -0.32 0.00 0.07 0.00 0.00 59.98 59.91 2h3i h ARG 39 Cb 0.72 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.79 2h3i h ARG 39 CO -0.00 0.00 -1.52 1.49 -1.07 0.00 0.00 179.97 178.87 2h3i h GLU 40 N 0.00 0.39 -0.57 0.04 4.57 -0.49 -3.36 114.58 115.17 2h3i h GLU 40 Ca 0.00 -0.67 0.11 0.00 -1.18 0.00 0.00 59.36 57.62 2h3i h GLU 40 Cb 1.00 0.25 -0.08 0.00 -0.16 0.00 0.00 28.75 29.75 2h3i h GLU 40 CO 0.00 1.32 0.10 -0.07 -1.18 0.00 0.00 179.01 179.18 2h3i h LEU 41 N -0.02 -0.04 -1.84 1.64 3.38 -1.21 0.14 115.31 117.36 2h3i h LEU 41 Ca -0.29 0.11 0.24 0.00 0.09 0.00 0.00 57.88 58.02 2h3i h LEU 41 Cb 2.00 0.16 -0.05 0.00 0.09 0.00 0.00 40.66 42.86 2h3i h LEU 41 CO 0.17 -0.00 0.61 -0.08 0.09 0.00 0.00 178.44 179.23 2h3i h GLU 42 N 0.23 0.12 0.07 1.13 4.81 -1.47 0.36 114.58 119.83 2h3i h GLU 42 Ca 0.29 -0.01 -0.25 0.00 -0.13 0.00 0.00 59.36 59.27 2h3i h GLU 42 Cb 0.43 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.77 2h3i h GLU 42 CO -0.40 0.08 -1.14 -0.09 -0.73 0.00 0.00 179.01 176.73 2h3i h ARG 43 N 0.12 0.15 -0.97 1.92 2.43 -0.90 -3.24 114.38 113.89 2h3i h ARG 43 Ca 0.43 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 59.21 2h3i h ARG 43 Cb 1.50 0.09 -0.08 0.00 -0.42 0.00 0.00 29.97 31.07 2h3i h ARG 43 CO -0.06 1.11 0.18 1.19 -1.51 0.00 0.00 179.97 180.88 2h3i n PHE 44 N -3.44 0.98 -1.48 2.20 3.01 0.91 -4.80 117.46 114.83 2h3i n PHE 44 Ca -0.05 -0.80 -0.17 0.00 1.01 0.00 0.00 57.45 57.44 2h3i n PHE 44 Cb 0.99 -0.43 -0.07 0.00 -0.01 0.00 0.00 39.48 39.95 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 -0.26 -3.23 4.37 0.00 -1.04 -4.94 120.51 115.42 2h3i n ALA 45 Ca 0.18 0.27 -0.37 0.00 0.00 0.00 0.00 53.44 53.52 2h3i n ALA 45 Cb 0.83 -1.89 -0.13 0.00 0.00 0.00 0.00 19.45 18.26 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 -2.42 3.85 0.30 0.00 1.01 0.81 -4.99 120.40 118.96 2h3i s VAL 46 Ca 0.00 -0.74 -0.29 0.00 0.00 0.00 0.00 61.98 60.94 2h3i s VAL 46 Cb 0.00 -2.99 -0.13 0.00 0.00 0.00 0.00 36.38 33.26 2h3i s VAL 46 CO 0.00 0.08 1.37 0.59 0.00 0.00 0.00 175.10 177.14 2h3i n ASN 47 N 4.84 2.88 0.00 3.32 5.03 -1.26 -1.83 115.26 128.24 2h3i n ASN 47 Ca -0.15 1.18 0.07 0.00 0.87 0.00 0.00 54.58 56.55 2h3i n ASN 47 Cb 0.48 -1.47 0.39 0.00 -1.02 0.00 0.00 39.78 38.15 2h3i n ASN 47 CO 0.00 0.00 0.00 -0.81 -1.83 0.00 0.00 177.26 174.62 2h3i n PRO 48 N 1.28 0.27 0.00 3.52 -0.04 -1.26 -2.32 135.00 136.44 2h3i n PRO 48 Ca 0.08 0.11 0.14 0.00 -0.04 0.00 0.00 63.50 63.79 2h3i n PRO 48 Cb 0.34 -1.50 0.53 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 -0.51 0.85 0.55 0.00 -1.26 -3.84 105.19 100.96 2h3i n GLY 49 Ca 0.08 -0.37 0.02 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.46 2.21 -0.13 0.99 4.77 -0.98 -3.32 117.00 120.08 2h3i n LEU 50 Ca 0.16 -1.12 0.07 0.00 -0.03 0.00 0.00 56.01 55.09 2h3i n LEU 50 Cb 0.31 -0.54 -0.05 0.00 -2.33 0.00 0.00 43.42 40.82 2h3i n LEU 50 CO 0.21 0.35 0.08 0.18 -1.33 0.00 0.00 177.39 176.88 2h3i n LEU 51 N 0.16 0.97 -2.66 2.23 4.77 -1.25 -3.03 117.00 118.18 2h3i n LEU 51 Ca 0.07 -0.61 -0.34 0.00 -0.03 0.00 0.00 56.01 55.11 2h3i n LEU 51 Cb 0.49 0.00 0.03 0.00 -2.33 0.00 0.00 43.42 41.61 2h3i n LEU 51 CO 0.08 0.21 0.97 -1.84 -1.33 0.00 0.00 177.39 175.48 2h3i n GLU 52 N -0.86 3.04 -3.20 3.23 0.28 -1.21 -4.89 120.64 117.03 2h3i n GLU 52 Ca 0.04 -3.90 0.04 0.00 -0.16 0.00 0.00 57.16 53.18 2h3i n GLU 52 Cb 0.24 -2.26 -0.03 0.00 1.43 0.00 0.00 31.44 30.82 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 -5.20 -0.18 0.42 3.84 -1.32 -1.26 -4.98 115.64 106.96 2h3i s THR 53 Ca 0.51 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.18 2h3i s THR 53 Cb 0.43 -1.00 0.39 0.00 -1.51 0.00 0.00 72.50 70.81 2h3i s THR 53 CO -0.28 0.00 1.84 0.77 -2.21 0.00 0.00 174.62 174.74 2h3i h SER 54 N 7.52 0.40 1.66 8.08 4.64 -1.91 0.68 113.55 134.62 2h3i h SER 54 Ca -0.13 0.05 -0.05 0.00 -0.47 0.00 0.00 61.79 61.19 2h3i h SER 54 Cb 1.15 -0.03 -0.01 0.00 -0.31 0.00 0.00 62.40 63.20 2h3i h SER 54 CO -0.04 0.15 -0.25 -0.33 -0.87 0.00 0.00 176.83 175.50 2h3i h GLU 55 N 0.39 0.00 -0.00 4.77 5.08 -1.96 -3.18 114.58 119.69 2h3i h GLU 55 Ca 0.49 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.85 2h3i h GLU 55 Cb 1.25 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.50 2h3i h GLU 55 CO -0.19 0.25 -0.64 0.41 -1.00 0.00 0.00 179.01 177.84 2h3i n GLY 56 N 1.06 -0.94 0.08 -3.84 0.00 0.20 -3.96 105.19 97.78 2h3i n GLY 56 Ca 0.03 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.52 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 0.43 -0.76 0.00 1.12 -1.70 -3.20 114.38 110.27 2h3i h ARG 58 Ca -0.22 -0.44 0.12 0.00 -1.11 0.00 0.00 59.98 58.33 2h3i h ARG 58 Cb 1.86 0.12 -0.05 0.00 -0.01 0.00 0.00 29.97 31.89 2h3i h ARG 58 CO 0.07 1.10 0.50 1.96 -3.11 0.00 0.00 179.97 180.49 2h3i h GLN 59 N 0.25 0.54 0.99 0.20 7.50 -1.71 -2.37 115.11 120.51 2h3i h GLN 59 Ca -0.07 -0.03 -0.05 0.00 0.50 0.00 0.00 58.65 59.00 2h3i h GLN 59 Cb 1.54 -0.12 0.01 0.00 0.05 0.00 0.00 27.48 28.96 2h3i h GLN 59 CO 0.16 0.36 -0.48 0.82 -1.50 0.00 0.00 178.83 178.19 2h3i h ILE 60 N 0.55 0.00 -0.85 2.54 2.04 -1.71 -2.33 117.51 117.75 2h3i h ILE 60 Ca 0.36 -0.01 0.23 0.00 1.00 0.00 0.00 64.86 66.44 2h3i h ILE 60 Cb 0.65 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.69 2h3i h ILE 60 CO -0.13 0.00 0.60 -0.07 0.00 0.00 0.00 178.15 178.54 2h3i h LEU 61 N -1.34 0.10 -0.82 1.44 3.38 -1.58 0.18 115.31 116.67 2h3i h LEU 61 Ca -0.14 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.73 2h3i h LEU 61 Cb 1.02 -0.01 -0.01 0.00 0.09 0.00 0.00 40.66 41.75 2h3i h LEU 61 CO 0.22 0.04 -0.33 1.23 0.09 0.00 0.00 178.44 179.70 2h3i h GLY 62 N 0.10 0.54 0.82 0.83 0.00 -1.04 0.31 103.07 104.64 2h3i h GLY 62 Ca 0.41 -0.49 -0.11 0.00 0.00 0.00 0.00 47.33 47.15 2h3i h GLY 62 CO -0.05 0.45 -0.32 1.46 0.00 0.00 0.00 176.54 178.08 2h3i h GLN 63 N 0.43 0.48 0.00 4.80 1.08 -0.13 -3.16 115.11 118.62 2h3i h GLN 63 Ca 0.05 -0.32 0.00 0.00 -1.45 0.00 0.00 58.65 56.93 2h3i h GLN 63 Cb 0.78 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 28.25 2h3i h GLN 63 CO 0.06 0.92 0.00 -0.07 -0.95 0.00 0.00 178.83 178.80 2h3i h LEU 64 N 0.10 0.00 -0.00 1.46 3.38 -1.41 -3.35 115.31 115.50 2h3i h LEU 64 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 57.88 57.99 2h3i h LEU 64 Cb 0.92 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.61 2h3i h LEU 64 CO 0.07 0.00 -0.50 1.56 0.09 0.00 0.00 178.44 179.66 2h3i h GLN 65 N 0.00 -0.61 0.00 1.13 4.20 -0.34 0.21 115.11 119.70 2h3i h GLN 65 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 2h3i h GLN 65 Cb 0.92 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.83 2h3i h GLN 65 CO 0.00 -0.40 0.00 -0.35 -0.67 0.00 0.00 178.83 177.41 2h3i n PRO 66 N -5.26 0.37 -0.00 1.46 -0.04 -1.25 -1.87 135.00 128.40 2h3i n PRO 66 Ca -0.07 0.06 0.08 0.00 -0.04 0.00 0.00 63.50 63.53 2h3i n PRO 66 Cb 0.37 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.23 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 -1.12 0.82 0.19 3.54 7.64 0.28 -4.41 113.62 120.56 2h3i n SER 67 Ca 0.10 -0.76 0.18 0.00 1.01 0.00 0.00 58.87 59.39 2h3i n SER 67 Cb 0.08 1.11 0.72 0.00 -1.01 0.00 0.00 64.21 65.10 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 0.16 -3.43 3.38 0.02 0.13 115.31 115.56 2h3i h LEU 68 Ca 0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 2h3i h LEU 68 Cb 0.44 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.19 2h3i h LEU 68 CO 0.00 0.00 -1.80 -0.61 0.09 0.00 0.00 178.44 176.12 2h3i h GLN 69 N 0.00 0.33 -1.50 1.13 5.75 -1.79 -3.37 115.11 115.67 2h3i h GLN 69 Ca 0.12 -0.57 -0.72 0.00 -0.15 0.00 0.00 58.65 57.33 2h3i h GLN 69 Cb 1.06 0.21 -0.28 0.00 1.07 0.00 0.00 27.48 29.55 2h3i h GLN 69 CO -0.00 1.27 0.96 0.25 -2.65 0.00 0.00 178.83 178.66 2h3i n THR 70 N -3.60 3.61 -3.61 2.39 -2.24 0.37 -4.93 114.28 106.27 2h3i n THR 70 Ca -0.27 -3.57 -0.16 0.00 -2.27 0.00 0.00 64.05 57.77 2h3i n THR 70 Cb 1.04 -1.21 -0.07 0.00 -2.10 0.00 0.00 70.33 68.00 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 -1.42 -0.43 0.00 3.38 0.00 -0.70 -4.99 107.32 103.15 2h3i s GLY 71 Ca 0.58 1.06 0.00 0.00 0.00 0.00 0.00 44.72 46.37 2h3i s GLY 71 CO -0.21 0.77 0.00 -1.14 0.00 0.00 0.00 173.10 172.52 2h3i n SER 72 N 1.26 0.00 0.00 1.64 3.41 -1.26 -4.84 113.62 113.82 2h3i n SER 72 Ca -0.19 -0.42 0.00 0.00 -0.26 0.00 0.00 58.87 58.00 2h3i n SER 72 Cb 0.57 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.52 2h3i n SER 72 CO 0.00 0.00 0.00 -1.84 -0.16 0.00 0.00 175.04 173.04 2h3i n GLU 73 N -0.42 0.00 0.12 4.33 0.28 -1.26 -1.21 120.64 122.48 2h3i n GLU 73 Ca 0.00 0.49 -0.02 0.00 -0.16 0.00 0.00 57.16 57.47 2h3i n GLU 73 Cb 0.00 -1.50 0.16 0.00 1.43 0.00 0.00 31.44 31.53 2h3i n GLU 73 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2h3i h GLU 74 N 0.00 0.08 0.00 3.44 5.08 -2.00 -1.10 114.58 120.08 2h3i h GLU 74 Ca 0.00 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.23 2h3i h GLU 74 Cb 0.00 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.25 2h3i h GLU 74 CO 0.00 0.66 -1.83 -0.11 -1.00 0.00 0.00 179.01 176.72 2h3i n LEU 75 N -3.84 0.23 0.05 1.33 0.00 -0.35 -4.21 117.00 110.20 2h3i n LEU 75 Ca -0.02 0.09 -0.07 0.00 0.00 0.00 0.00 56.01 56.02 2h3i n LEU 75 Cb 0.60 0.07 -0.11 0.00 0.00 0.00 0.00 43.42 43.98 2h3i n LEU 75 CO 0.43 0.06 0.05 0.03 0.00 0.00 0.00 177.39 177.95 2h3i h ARG 76 N 0.00 0.00 -0.17 1.96 3.08 -1.48 -3.18 114.38 114.60 2h3i h ARG 76 Ca -0.10 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 59.87 2h3i h ARG 76 Cb 1.24 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.28 2h3i h ARG 76 CO 0.01 0.88 -0.26 0.77 -1.07 0.00 0.00 179.97 180.30 2h3i h SER 77 N 0.00 0.31 0.24 7.04 0.02 -1.37 -3.04 113.55 116.75 2h3i h SER 77 Ca -0.05 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.78 2h3i h SER 77 Cb 1.78 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 64.24 2h3i h SER 77 CO 0.12 0.58 -0.12 -0.07 -1.14 0.00 0.00 176.83 176.20 2h3i h LEU 78 N 0.28 -0.28 -0.96 5.07 -0.00 -1.73 -3.23 115.31 114.46 2h3i h LEU 78 Ca 0.04 -0.20 0.28 0.00 -0.00 0.00 0.00 57.88 58.00 2h3i h LEU 78 Cb 0.62 0.07 -0.17 0.00 -0.00 0.00 0.00 40.66 41.17 2h3i h LEU 78 CO 0.04 0.23 0.14 0.22 -0.00 0.00 0.00 178.44 179.07 2h3i h TYR 79 N -0.97 0.15 0.16 1.13 5.03 -1.57 0.32 116.97 121.22 2h3i h TYR 79 Ca -0.03 0.06 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2h3i h TYR 79 Cb 0.46 0.09 -0.01 0.00 1.55 0.00 0.00 36.73 38.82 2h3i h TYR 79 CO 0.05 -0.39 -0.21 -0.91 -1.32 0.00 0.00 178.16 175.38 2h3i h ASN 80 N 0.05 -0.58 0.41 -2.11 -0.26 -1.60 -0.89 115.58 110.60 2h3i h ASN 80 Ca 0.62 0.05 -0.01 0.00 -0.56 0.00 0.00 56.30 56.40 2h3i h ASN 80 Cb 1.34 0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 38.79 2h3i h ASN 80 CO -0.84 -0.26 -0.33 0.74 -1.06 0.00 0.00 177.43 175.68 2h3i h THR 81 N -0.38 0.32 -0.98 2.81 2.02 -1.21 -2.53 112.91 112.97 2h3i h THR 81 Ca -0.02 0.00 0.31 0.00 0.77 0.00 0.00 66.41 67.47 2h3i h THR 81 Cb 0.34 0.32 -0.17 0.00 -1.74 0.00 0.00 68.15 66.90 2h3i h THR 81 CO -0.05 0.00 0.24 0.40 0.37 0.00 0.00 175.52 176.48 2h3i h ILE 82 N -0.74 0.07 -0.28 3.11 2.04 -0.42 0.33 117.51 121.62 2h3i h ILE 82 Ca -0.04 -0.02 0.07 0.00 1.00 0.00 0.00 64.86 65.87 2h3i h ILE 82 Cb 0.64 0.02 -0.07 0.00 -0.74 0.00 0.00 36.82 36.67 2h3i h ILE 82 CO -0.01 0.01 -0.19 0.00 0.00 0.00 0.00 178.15 177.96 2h3i h ALA 83 N 1.95 0.00 -0.38 1.87 0.00 -0.70 -2.02 119.26 119.98 2h3i h ALA 83 Ca 0.67 0.10 0.07 0.00 0.00 0.00 0.00 54.91 55.75 2h3i h ALA 83 Cb 1.54 0.43 -0.06 0.00 0.00 0.00 0.00 17.79 19.70 2h3i h ALA 83 CO -0.82 -0.59 0.03 0.28 0.00 0.00 0.00 179.25 178.15 2h3i h VAL 84 N -0.17 0.75 -0.34 0.00 2.07 -0.34 0.52 116.25 118.74 2h3i h VAL 84 Ca 0.15 -0.05 0.10 0.00 0.82 0.00 0.00 66.70 67.72 2h3i h VAL 84 Cb 0.40 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.75 2h3i h VAL 84 CO -0.38 0.03 0.57 0.25 0.02 0.00 0.00 177.57 178.05 2h3i h LEU 85 N 0.14 0.00 0.04 2.57 5.85 -1.02 0.84 115.31 123.74 2h3i h LEU 85 Ca 0.19 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 58.83 2h3i h LEU 85 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 2h3i h LEU 85 CO -0.28 0.00 -0.37 0.22 -0.34 0.00 0.00 178.44 177.66 2h3i h TYR 86 N 0.00 0.15 0.00 1.25 3.20 -0.69 -3.24 116.97 117.64 2h3i h TYR 86 Ca 0.16 -0.11 0.00 0.00 3.14 0.00 0.00 58.73 61.92 2h3i h TYR 86 Cb 1.30 -0.01 0.00 0.00 1.54 0.00 0.00 36.73 39.56 2h3i h TYR 86 CO 0.00 1.14 0.00 0.00 -1.64 0.00 0.00 178.16 177.66 2h3i h VAL 88 N 0.00 1.47 0.15 0.00 2.07 -1.16 0.31 116.25 119.09 2h3i h VAL 88 Ca 0.00 -2.67 -0.35 0.00 0.82 0.00 0.00 66.70 64.51 2h3i h VAL 88 Cb 0.27 2.55 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 2h3i h VAL 88 CO 0.00 0.78 -1.79 0.45 0.02 0.00 0.00 177.57 177.04 2h3i h HIS 89 N 0.14 0.59 -0.14 1.57 -0.00 -1.43 -3.32 115.15 112.56 2h3i h HIS 89 Ca -0.07 -0.43 0.00 0.00 -0.00 0.00 0.00 60.37 59.86 2h3i h HIS 89 Cb 1.62 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 29.01 2h3i h HIS 89 CO 0.05 1.64 0.00 1.04 -0.00 0.00 0.00 177.93 180.66 2h3i n GLN 90 N -3.52 1.38 -3.64 2.45 1.13 -0.57 -4.89 117.38 109.73 2h3i n GLN 90 Ca -0.25 -0.59 -0.27 0.00 -1.94 0.00 0.00 57.00 53.95 2h3i n GLN 90 Cb 1.06 -1.20 0.03 0.00 0.11 0.00 0.00 30.24 30.24 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 -0.08 -5.51 -2.96 -1.09 0.63 -0.99 -4.92 116.66 101.74 2h3i n ARG 91 Ca 0.09 0.67 -0.42 0.00 -0.92 0.00 0.00 57.85 57.26 2h3i n ARG 91 Cb 0.16 -5.56 -0.05 0.00 0.45 0.00 0.00 32.46 27.46 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 -3.22 4.70 0.30 5.15 1.01 0.11 -5.01 121.20 124.23 2h3i s ILE 92 Ca 0.56 0.69 -0.27 0.00 0.00 0.00 0.00 60.65 61.63 2h3i s ILE 92 Cb -0.27 -4.25 -0.14 0.00 0.01 0.00 0.00 42.46 37.81 2h3i s ILE 92 CO 0.69 -0.55 0.98 0.47 0.00 0.00 0.00 174.94 176.53 2h3i n ASP 93 N 6.54 1.14 -3.69 3.58 9.92 -1.26 -4.67 116.55 128.11 2h3i n ASP 93 Ca 0.03 1.16 -0.13 0.00 -0.53 0.00 0.00 54.79 55.32 2h3i n ASP 93 Cb 0.48 -1.28 -0.09 0.00 -0.64 0.00 0.00 41.12 39.59 2h3i n ASP 93 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2h3i s VAL 94 N -1.09 -0.00 -0.83 2.53 -7.23 -1.26 -4.77 120.40 107.74 2h3i s VAL 94 Ca 0.59 0.01 0.13 0.00 -1.81 0.00 0.00 61.98 60.91 2h3i s VAL 94 Cb -0.69 -0.74 -0.10 0.00 0.56 0.00 0.00 36.38 35.41 2h3i s VAL 94 CO 0.60 0.01 0.63 0.29 -0.31 0.00 0.00 175.10 176.31 2h3i n LYS 95 N 3.12 2.38 -3.65 4.82 4.76 -1.26 -4.86 118.16 123.48 2h3i n LYS 95 Ca -0.15 -0.23 0.02 0.00 -2.87 0.00 0.00 58.31 55.07 2h3i n LYS 95 Cb 0.56 -1.15 -0.00 0.00 -1.84 0.00 0.00 35.03 32.60 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 -2.08 -0.05 0.06 4.39 1.47 -1.26 -4.02 116.67 115.18 2h3i s ASP 96 Ca 0.07 -0.14 -0.13 0.00 1.18 0.00 0.00 52.55 53.54 2h3i s ASP 96 Cb 0.10 0.15 -0.03 0.00 -0.34 0.00 0.00 42.92 42.80 2h3i s ASP 96 CO 0.48 -0.28 1.22 0.74 0.68 0.00 0.00 175.17 178.01 2h3i h THR 97 N 2.00 0.00 -0.52 2.11 2.02 -1.64 -0.65 112.91 116.23 2h3i h THR 97 Ca -0.30 0.00 0.10 0.00 0.77 0.00 0.00 66.41 66.98 2h3i h THR 97 Cb 1.20 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 2h3i h THR 97 CO 0.29 0.00 -0.23 0.50 0.37 0.00 0.00 175.52 176.45 2h3i h LYS 98 N -0.05 -0.11 -1.10 6.66 3.64 -1.90 0.19 116.57 123.89 2h3i h LYS 98 Ca 0.05 0.01 0.35 0.00 -1.27 0.00 0.00 60.65 59.79 2h3i h LYS 98 Cb 0.19 0.02 -0.14 0.00 -0.41 0.00 0.00 32.23 31.90 2h3i h LYS 98 CO -0.33 -0.07 0.67 0.93 -2.27 0.00 0.00 179.45 178.38 2h3i h GLU 99 N -0.11 0.24 -0.07 1.90 3.07 -1.54 0.37 114.58 118.44 2h3i h GLU 99 Ca 0.24 -0.01 -0.12 0.00 -0.50 0.00 0.00 59.36 58.96 2h3i h GLU 99 Cb 0.49 -0.05 0.01 0.00 -0.84 0.00 0.00 28.75 28.35 2h3i h GLU 99 CO -0.60 0.16 -0.44 0.00 -1.40 0.00 0.00 179.01 176.73 2h3i h ALA 100 N 1.75 0.15 0.77 3.43 0.00 0.23 -2.82 119.26 122.77 2h3i h ALA 100 Ca 0.74 -0.49 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 2h3i h ALA 100 Cb 1.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.74 2h3i h ALA 100 CO -0.51 0.29 -0.42 1.25 0.00 0.00 0.00 179.25 179.87 2h3i h LEU 101 N -0.04 -1.02 -0.81 0.00 7.12 0.42 -2.80 115.31 118.19 2h3i h LEU 101 Ca -0.04 0.05 0.16 0.00 0.13 0.00 0.00 57.88 58.18 2h3i h LEU 101 Cb 1.10 0.28 -0.10 0.00 -0.53 0.00 0.00 40.66 41.41 2h3i h LEU 101 CO 0.09 -0.68 0.34 -0.78 -0.13 0.00 0.00 178.44 177.29 2h3i h ASP 102 N -1.10 0.33 -0.83 1.25 1.82 -1.02 0.20 116.42 117.08 2h3i h ASP 102 Ca -0.10 0.12 0.19 0.00 -0.39 0.00 0.00 57.03 56.84 2h3i h ASP 102 Cb 0.86 0.08 -0.06 0.00 0.68 0.00 0.00 39.33 40.90 2h3i h ASP 102 CO 0.14 0.10 0.56 0.11 -1.61 0.00 0.00 179.24 178.54 2h3i h LYS 103 N 0.47 0.34 0.00 0.28 1.79 -1.25 0.34 116.57 118.54 2h3i h LYS 103 Ca 0.46 -0.02 -0.14 0.00 -2.18 0.00 0.00 60.65 58.76 2h3i h LYS 103 Cb 0.73 -0.08 -0.02 0.00 -1.58 0.00 0.00 32.23 31.28 2h3i h LYS 103 CO -0.43 0.23 -0.69 0.82 -1.08 0.00 0.00 179.45 178.30 2h3i h ILE 104 N 0.35 1.23 0.03 1.86 2.04 -0.37 -2.82 117.51 119.83 2h3i h ILE 104 Ca 0.42 -2.61 -0.06 0.00 1.00 0.00 0.00 64.86 63.61 2h3i h ILE 104 Cb 1.10 2.52 0.01 0.00 -0.74 0.00 0.00 36.82 39.71 2h3i h ILE 104 CO -0.13 0.68 -0.24 -0.08 0.00 0.00 0.00 178.15 178.37 2h3i h GLU 105 N 0.00 0.12 -0.82 2.37 4.81 0.08 -3.31 114.58 117.83 2h3i h GLU 105 Ca -0.01 -0.16 -0.02 0.00 -0.13 0.00 0.00 59.36 59.04 2h3i h GLU 105 Cb 1.47 0.05 -0.04 0.00 0.63 0.00 0.00 28.75 30.86 2h3i h GLU 105 CO 0.09 1.00 0.44 0.93 -0.73 0.00 0.00 179.01 180.74 2h3i h GLU 106 N -0.69 1.14 -0.41 1.92 4.39 -0.75 -1.73 114.58 118.45 2h3i h GLU 106 Ca -0.04 -0.13 0.12 0.00 0.34 0.00 0.00 59.36 59.65 2h3i h GLU 106 Cb 1.10 -0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.51 2h3i h GLU 106 CO 0.05 0.84 0.36 1.49 -1.16 0.00 0.00 179.01 180.58 2h3i h GLU 107 N 1.14 0.00 0.16 2.33 4.81 -1.60 0.24 114.58 121.67 2h3i h GLU 107 Ca 0.29 0.00 -0.32 0.00 -0.13 0.00 0.00 59.36 59.20 2h3i h GLU 107 Cb 0.04 0.00 0.01 0.00 0.63 0.00 0.00 28.75 29.42 2h3i h GLU 107 CO -0.05 0.00 -1.53 1.96 -0.73 0.00 0.00 179.01 178.66 2h3i h GLN 108 N 0.00 0.33 -0.28 1.92 7.50 -1.41 -3.33 115.11 119.84 2h3i h GLN 108 Ca 0.20 -0.57 -0.18 0.00 0.50 0.00 0.00 58.65 58.59 2h3i h GLN 108 Cb 0.91 0.21 -0.00 0.00 0.05 0.00 0.00 27.48 28.66 2h3i h GLN 108 CO -0.00 1.23 -0.54 -0.97 -1.50 0.00 0.00 178.83 177.04 2h3i h ASN 109 N 0.09 0.95 -0.27 1.46 -1.24 -0.77 -2.97 115.58 112.83 2h3i h ASN 109 Ca -0.25 -0.51 0.08 0.00 0.71 0.00 0.00 56.30 56.33 2h3i h ASN 109 Cb 2.06 -0.27 -0.01 0.00 0.73 0.00 0.00 38.32 40.82 2h3i h ASN 109 CO 0.19 1.30 0.28 0.50 -1.29 0.00 0.00 177.43 178.41 2h3i h LYS 110 N 0.66 0.00 -1.04 6.67 1.63 -0.75 0.83 116.57 124.56 2h3i h LYS 110 Ca 0.02 0.00 -0.45 0.00 -0.85 0.00 0.00 60.65 59.36 2h3i h LYS 110 Cb 1.15 0.00 -0.25 0.00 -0.60 0.00 0.00 32.23 32.53 2h3i h LYS 110 CO 0.12 0.00 0.58 0.45 -3.45 0.00 0.00 179.45 177.15 2h3i n SER 111 N -3.85 4.46 -0.03 4.20 2.88 -1.12 -4.22 113.62 115.93 2h3i n SER 111 Ca 0.04 -3.36 -0.10 0.00 -1.33 0.00 0.00 58.87 54.12 2h3i n SER 111 Cb 0.43 -0.83 -0.14 0.00 -0.75 0.00 0.00 64.21 62.92 2h3i n SER 111 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2h3i n LYS 112 N -0.75 0.65 0.10 -1.46 -0.00 0.28 -3.89 118.16 113.09 2h3i n LYS 112 Ca 0.49 0.26 -0.02 0.00 -0.00 0.00 0.00 58.31 59.04 2h3i n LYS 112 Cb 1.26 -1.75 -0.04 0.00 -0.00 0.00 0.00 35.03 34.50 2h3i n LYS 112 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 177.40 178.97 2h3i h LYS 113 N 0.00 0.00 -0.92 -1.58 5.09 -1.78 -3.22 116.57 114.16 2h3i h LYS 113 Ca -0.33 0.00 -0.35 0.00 0.09 0.00 0.00 60.65 60.07 2h3i h LYS 113 Cb 2.04 0.00 -0.21 0.00 0.10 0.00 0.00 32.23 34.17 2h3i h LYS 113 CO 0.07 0.74 0.44 1.17 -2.09 0.00 0.00 179.45 179.79 2h3i n LYS 114 N -3.31 2.61 -0.98 0.07 4.81 -1.26 -4.03 118.16 116.07 2h3i n LYS 114 Ca 0.01 -2.62 0.01 0.00 -0.87 0.00 0.00 58.31 54.84 2h3i n LYS 114 Cb 0.83 -2.05 0.00 0.00 0.02 0.00 0.00 35.03 33.83 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 -0.59 2.31 -2.07 3.14 0.00 -1.21 -4.86 120.51 117.24 2h3i n ALA 115 Ca 0.45 -1.48 -0.06 0.00 0.00 0.00 0.00 53.44 52.35 2h3i n ALA 115 Cb 1.41 -0.55 -0.05 0.00 0.00 0.00 0.00 19.45 20.27 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 0.22 0.13 0.13 0.00 7.27 -1.26 -4.95 117.38 118.92 2h3i n GLN 116 Ca 0.00 -1.03 0.18 0.00 0.07 0.00 0.00 57.00 56.22 2h3i n GLN 116 Cb 0.88 0.49 0.76 0.00 2.41 0.00 0.00 30.24 34.78 2h3i n GLN 116 CO 0.00 0.00 0.00 1.96 0.07 0.00 0.00 177.06 179.09 2h3i h GLN 117 N 0.10 0.00 -0.90 3.69 7.50 -1.89 0.25 115.11 123.86 2h3i h GLN 117 Ca -0.55 0.00 -0.31 0.00 0.50 0.00 0.00 58.65 58.28 2h3i h GLN 117 Cb 1.41 0.00 -0.19 0.00 0.05 0.00 0.00 27.48 28.75 2h3i h GLN 117 CO -0.28 0.00 0.40 0.00 -1.50 0.00 0.00 178.83 177.45 2h3i n ALA 118 N -2.43 4.70 -2.20 3.87 0.00 -1.26 -3.56 120.51 119.63 2h3i n ALA 118 Ca 0.04 -2.19 -0.01 0.00 0.00 0.00 0.00 53.44 51.28 2h3i n ALA 118 Cb 0.44 -1.30 0.01 0.00 0.00 0.00 0.00 19.45 18.60 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 -0.49 -0.80 0.00 0.00 0.00 0.71 -5.00 120.51 114.93 2h3i n ALA 119 Ca 0.43 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.69 2h3i n ALA 119 Cb 1.36 -0.46 0.00 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 -0.20 0.00 -0.13 0.00 0.00 -0.24 -4.95 120.51 114.99 2h3i n ALA 120 Ca -0.04 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.47 2h3i n ALA 120 Cb 0.49 0.00 0.40 0.00 0.00 0.00 0.00 19.45 20.34 2h3i n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2h3i h ASP 121 N 0.00 0.57 -2.00 0.00 1.82 -1.66 -3.40 116.42 111.75 2h3i h ASP 121 Ca 0.00 0.00 -0.56 0.00 -0.39 0.00 0.00 57.03 56.08 2h3i h ASP 121 Cb 0.00 -0.12 -0.00 0.00 0.68 0.00 0.00 39.33 39.89 2h3i h ASP 121 CO 0.00 0.37 1.49 0.42 -1.61 0.00 0.00 179.24 179.92 2h3i s THR 122 N -5.58 3.08 0.00 2.25 -4.23 -1.26 -4.77 115.64 105.12 2h3i s THR 122 Ca -0.09 0.07 0.00 0.00 -1.18 0.00 0.00 61.69 60.49 2h3i s THR 122 Cb 0.19 -3.12 0.00 0.00 1.34 0.00 0.00 72.50 70.91 2h3i s THR 122 CO 0.76 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 175.36 2h3i n GLY 123 N 5.77 4.71 3.77 3.99 0.00 -1.26 -5.09 105.19 117.08 2h3i n GLY 123 Ca 0.30 -0.84 -0.38 0.00 0.00 0.00 0.00 46.02 45.09 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 0.00 6.17 -0.25 1.61 -0.87 -1.26 -5.03 114.94 115.30 2h3i s ASN 124 Ca 0.00 2.53 -0.04 0.00 -1.57 0.00 0.00 52.86 53.77 2h3i s ASN 124 Cb 0.00 -2.62 0.13 0.00 -0.02 0.00 0.00 41.25 38.74 2h3i s ASN 124 CO 0.00 -0.94 0.46 0.20 -2.57 0.00 0.00 177.10 174.25 2h3i s ASN 125 N -1.00 -0.36 1.19 -1.22 0.01 -1.26 -5.16 114.94 107.15 2h3i s ASN 125 Ca 0.61 0.70 -0.15 0.00 -0.71 0.00 0.00 52.86 53.30 2h3i s ASN 125 Cb -0.35 1.51 0.29 0.00 0.41 0.00 0.00 41.25 43.11 2h3i s ASN 125 CO 0.43 -0.27 1.03 -0.94 -1.51 0.00 0.00 177.10 175.84 2h3i s SER 126 N 2.66 0.84 -0.05 -1.22 1.04 -1.26 -5.05 113.70 110.66 2h3i s SER 126 Ca 0.09 1.24 0.00 0.00 0.48 0.00 0.00 55.95 57.76 2h3i s SER 126 Cb -0.14 -1.90 0.02 0.00 0.10 0.00 0.00 66.02 64.10 2h3i s SER 126 CO -0.16 -4.25 -0.03 -1.10 0.98 0.00 0.00 173.24 168.69 2h3i s GLN 127 N -4.73 0.72 0.26 4.02 1.11 -1.26 -5.13 119.66 114.64 2h3i s GLN 127 Ca 0.68 -0.02 -0.30 0.00 0.01 0.00 0.00 55.36 55.74 2h3i s GLN 127 Cb -0.21 -0.86 -0.09 0.00 -1.01 0.00 0.00 33.01 30.84 2h3i s GLN 127 CO 0.62 -0.17 1.20 0.54 0.01 0.00 0.00 175.29 177.49 2h3i s VAL 128 N 1.30 3.30 0.31 1.09 0.11 -1.26 -5.04 120.40 120.21 2h3i s VAL 128 Ca -0.05 1.22 0.05 0.00 -2.93 0.00 0.00 61.98 60.26 2h3i s VAL 128 Cb -0.13 -3.77 -0.02 0.00 -1.53 0.00 0.00 36.38 30.92 2h3i s VAL 128 CO -0.02 0.25 0.45 -0.44 -3.33 0.00 0.00 175.10 172.01 2h3i s SER 129 N -0.37 6.11 0.38 3.54 0.01 -1.26 -5.06 113.70 117.06 2h3i s SER 129 Ca 0.49 -0.01 -0.27 0.00 1.31 0.00 0.00 55.95 57.47 2h3i s SER 129 Cb -0.34 -1.55 -0.11 0.00 0.21 0.00 0.00 66.02 64.23 2h3i s SER 129 CO 0.42 -0.31 1.31 0.00 0.41 0.00 0.00 173.24 175.07 2h3i n GLN 130 N -1.60 2.11 -2.89 12.44 -0.00 -1.26 -5.01 117.38 121.18 2h3i n GLN 130 Ca -0.04 0.74 -0.20 0.00 -0.00 0.00 0.00 57.00 57.51 2h3i n GLN 130 Cb 0.57 -2.39 0.07 0.00 -0.00 0.00 0.00 30.24 28.49 2h3i n GLN 130 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.06 177.15 2h3i n ASN 131 N 0.47 1.97 -0.65 2.61 4.13 -1.26 -5.34 115.26 117.20 2h3i n ASN 131 Ca 0.05 -2.46 0.13 0.00 1.68 0.00 0.00 54.58 53.99 2h3i n ASN 131 Cb 0.38 -0.45 0.38 0.00 -1.54 0.00 0.00 39.78 38.54 2h3i n ASN 131 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54