#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 3.96 -2.88 4.61 0.00 -1.26 -4.76 120.51 120.19 2h3i n ALA 3 Ca 0.00 -3.39 -0.12 0.00 0.00 0.00 0.00 53.44 49.93 2h3i n ALA 3 Cb 0.00 -0.36 0.04 0.00 0.00 0.00 0.00 19.45 19.13 2h3i n ALA 3 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 2h3i n ARG 4 N -0.95 1.05 -1.55 0.00 0.63 -1.26 -5.13 116.66 109.44 2h3i n ARG 4 Ca 0.25 -2.62 -0.38 0.00 -0.92 0.00 0.00 57.85 54.17 2h3i n ARG 4 Cb 0.78 -1.15 0.04 0.00 0.45 0.00 0.00 32.46 32.58 2h3i n ARG 4 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2h3i n ALA 5 N 0.12 -0.38 -2.62 5.13 0.00 -1.26 -4.34 120.51 117.16 2h3i n ALA 5 Ca 0.12 0.01 -0.06 0.00 0.00 0.00 0.00 53.44 53.51 2h3i n ALA 5 Cb 0.73 -1.99 -0.05 0.00 0.00 0.00 0.00 19.45 18.14 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 -0.19 -0.63 0.00 0.00 7.64 -1.26 -5.03 113.62 114.14 2h3i n SER 6 Ca 0.13 1.35 0.00 0.00 1.01 0.00 0.00 58.87 61.36 2h3i n SER 6 Cb 0.47 -5.16 0.00 0.00 -1.01 0.00 0.00 64.21 58.51 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 1.77 0.00 0.00 0.44 0.31 -1.26 -4.94 118.33 114.64 2h3i n VAL 7 Ca -0.41 0.12 0.00 0.00 -0.01 0.00 0.00 64.34 64.04 2h3i n VAL 7 Cb 0.64 -0.79 0.00 0.00 -0.91 0.00 0.00 33.84 32.78 2h3i n VAL 7 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 2h3i n LEU 8 N -1.36 0.00 0.00 7.52 4.77 -1.26 -4.88 117.00 121.79 2h3i n LEU 8 Ca 0.00 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.92 2h3i n LEU 8 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 2h3i n LEU 8 CO 0.00 0.00 0.17 -1.20 -1.33 0.00 0.00 177.39 175.03 2h3i n SER 9 N 0.00 0.22 0.45 -1.43 7.64 -1.26 -4.77 113.62 114.46 2h3i n SER 9 Ca 0.00 -1.22 -0.19 0.00 1.01 0.00 0.00 58.87 58.47 2h3i n SER 9 Cb 0.00 -0.20 -0.09 0.00 -1.01 0.00 0.00 64.21 62.91 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 -0.27 -1.17 -0.36 0.23 0.00 -1.98 0.42 103.07 99.94 2h3i h GLY 10 Ca -0.09 0.43 0.29 0.00 0.00 0.00 0.00 47.33 47.96 2h3i h GLY 10 CO 0.08 -0.43 0.57 -1.33 0.00 0.00 0.00 176.54 175.43 2h3i h GLY 11 N -1.16 1.97 1.87 4.60 0.00 -2.01 0.37 103.07 108.71 2h3i h GLY 11 Ca -0.11 -0.26 -0.22 0.00 0.00 0.00 0.00 47.33 46.73 2h3i h GLY 11 CO 0.19 -0.38 -1.09 -2.09 0.00 0.00 0.00 176.54 173.17 2h3i h GLU 12 N 0.43 0.03 -0.49 4.80 4.57 -1.89 -3.28 114.58 118.74 2h3i h GLU 12 Ca 0.69 -0.04 0.00 0.00 -1.18 0.00 0.00 59.36 58.83 2h3i h GLU 12 Cb 1.46 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 30.04 2h3i h GLU 12 CO -0.55 0.98 0.33 1.25 -1.18 0.00 0.00 179.01 179.83 2h3i h LEU 13 N 0.01 0.57 -1.24 1.64 5.85 0.40 -1.87 115.31 120.67 2h3i h LEU 13 Ca -0.05 -0.01 0.17 0.00 0.84 0.00 0.00 57.88 58.83 2h3i h LEU 13 Cb 1.81 -0.14 -0.08 0.00 0.37 0.00 0.00 40.66 42.62 2h3i h LEU 13 CO 0.13 0.41 0.60 -0.78 -0.34 0.00 0.00 178.44 178.46 2h3i h ASP 14 N 0.67 0.65 1.49 1.25 1.82 -1.38 0.26 116.42 121.18 2h3i h ASP 14 Ca 0.18 0.06 -0.09 0.00 -0.39 0.00 0.00 57.03 56.79 2h3i h ASP 14 Cb -0.08 -0.07 -0.01 0.00 0.68 0.00 0.00 39.33 39.85 2h3i h ASP 14 CO -0.04 0.29 -0.52 0.11 -1.61 0.00 0.00 179.24 177.47 2h3i h LYS 15 N 0.67 0.00 -0.07 0.28 6.56 -1.54 -3.21 116.57 119.26 2h3i h LYS 15 Ca 0.50 0.00 -0.22 0.00 -1.06 0.00 0.00 60.65 59.86 2h3i h LYS 15 Cb 0.87 0.00 0.01 0.00 -0.57 0.00 0.00 32.23 32.55 2h3i h LYS 15 CO -0.25 0.36 -0.83 2.35 -2.06 0.00 0.00 179.45 179.01 2h3i h TRP 16 N 0.00 0.96 0.00 -1.35 2.91 -0.32 -3.05 115.95 115.10 2h3i h TRP 16 Ca -0.02 -0.48 0.00 0.00 1.13 0.00 0.00 58.89 59.52 2h3i h TRP 16 Cb 1.31 -0.13 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 2h3i h TRP 16 CO 0.00 1.31 0.00 0.39 -1.03 0.00 0.00 178.44 179.11 2h3i n GLU 17 N -3.98 0.74 0.15 2.65 1.02 0.22 -2.78 120.64 118.66 2h3i n GLU 17 Ca -0.09 0.01 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 2h3i n GLU 17 Cb 0.78 -1.50 0.12 0.00 -0.02 0.00 0.00 31.44 30.82 2h3i n GLU 17 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 2h3i h LYS 18 N 0.00 0.00 -6.27 3.49 1.63 -1.53 -3.36 116.57 110.53 2h3i h LYS 18 Ca 0.00 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.25 2h3i h LYS 18 Cb 0.06 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.65 2h3i h LYS 18 CO 0.00 0.00 0.08 0.42 -3.45 0.00 0.00 179.45 176.50 2h3i s ILE 19 N -3.26 4.71 0.89 2.00 1.01 -1.12 -4.95 121.20 120.49 2h3i s ILE 19 Ca 0.04 1.45 -0.13 0.00 0.00 0.00 0.00 60.65 62.02 2h3i s ILE 19 Cb 0.08 -4.02 0.13 0.00 0.01 0.00 0.00 42.46 38.65 2h3i s ILE 19 CO 0.72 0.45 1.16 -0.13 0.00 0.00 0.00 174.94 177.14 2h3i s ARG 20 N -0.51 1.33 -0.25 2.79 1.81 -1.26 -1.04 118.95 121.82 2h3i s ARG 20 Ca 0.34 0.17 -0.12 0.00 -1.72 0.00 0.00 55.73 54.40 2h3i s ARG 20 Cb -0.20 -1.87 -0.16 0.00 -0.45 0.00 0.00 34.95 32.27 2h3i s ARG 20 CO 0.21 -2.04 -0.16 1.28 -0.68 0.00 0.00 175.30 173.91 2h3i n LEU 21 N -3.63 2.18 -4.89 2.53 4.77 0.87 -3.19 117.00 115.63 2h3i n LEU 21 Ca 0.08 0.26 -0.20 0.00 -0.03 0.00 0.00 56.01 56.11 2h3i n LEU 21 Cb 0.60 -0.89 -0.03 0.00 -2.33 0.00 0.00 43.42 40.77 2h3i n LEU 21 CO 0.56 0.60 -0.03 -0.13 -1.33 0.00 0.00 177.39 177.06 2h3i s ARG 22 N -2.48 2.77 -0.02 3.23 0.52 -1.26 -3.84 118.95 117.87 2h3i s ARG 22 Ca -0.35 -1.28 -0.24 0.00 -0.52 0.00 0.00 55.73 53.34 2h3i s ARG 22 Cb 0.11 -2.54 -0.18 0.00 0.52 0.00 0.00 34.95 32.87 2h3i s ARG 22 CO 0.55 0.03 1.15 -1.00 0.02 0.00 0.00 175.30 176.05 2h3i h PRO 23 N 1.12 -0.17 -0.45 3.54 0.13 -1.93 -3.32 132.00 130.92 2h3i h PRO 23 Ca -0.44 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.62 2h3i h PRO 23 Cb 1.26 0.04 -0.05 0.00 0.13 0.00 0.00 31.00 32.38 2h3i h PRO 23 CO 0.57 0.25 0.06 0.41 -0.23 0.00 0.00 178.00 179.05 2h3i n GLY 24 N 0.17 3.90 0.00 1.56 0.00 -1.26 -4.87 105.19 104.69 2h3i n GLY 24 Ca -0.09 -1.04 0.00 0.00 0.00 0.00 0.00 46.02 44.89 2h3i n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3i n GLY 25 N -0.33 1.88 0.00 -0.02 0.00 -1.25 -5.05 105.19 100.43 2h3i n GLY 25 Ca 0.29 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 44.20 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 -0.82 -0.04 -2.39 1.61 4.76 -1.26 -4.89 118.16 115.14 2h3i n LYS 26 Ca 0.00 -0.40 -0.38 0.00 -2.87 0.00 0.00 58.31 54.66 2h3i n LYS 26 Cb 0.00 -0.73 -0.03 0.00 -1.84 0.00 0.00 35.03 32.43 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 -1.37 0.00 0.00 177.40 176.18 2h3i s LYS 27 N -0.11 4.09 0.55 1.97 1.02 -1.26 -4.93 119.74 121.07 2h3i s LYS 27 Ca 0.00 1.72 0.05 0.00 0.02 0.00 0.00 55.97 57.76 2h3i s LYS 27 Cb 0.00 -2.63 0.04 0.00 -0.52 0.00 0.00 37.83 34.72 2h3i s LYS 27 CO 0.00 -0.26 0.38 -0.65 -0.92 0.00 0.00 175.35 173.91 2h3i s GLN 28 N -2.36 2.24 0.06 1.68 1.11 -1.26 -0.09 119.66 121.04 2h3i s GLN 28 Ca 0.57 -2.06 -0.10 0.00 0.01 0.00 0.00 55.36 53.78 2h3i s GLN 28 Cb -0.27 -2.06 -0.06 0.00 -1.01 0.00 0.00 33.01 29.61 2h3i s GLN 28 CO 0.34 -0.63 0.37 0.71 0.01 0.00 0.00 175.29 176.10 2h3i s TYR 29 N -2.79 3.59 0.11 0.91 2.02 -0.21 -4.51 117.35 116.47 2h3i s TYR 29 Ca 0.31 0.76 0.04 0.00 -0.37 0.00 0.00 57.07 57.81 2h3i s TYR 29 Cb -0.02 -2.14 -0.04 0.00 -0.40 0.00 0.00 41.96 39.37 2h3i s TYR 29 CO 0.20 0.55 -0.10 0.15 -1.57 0.00 0.00 175.55 174.77 2h3i s LYS 30 N -1.82 0.90 0.27 -0.62 -0.14 -1.26 -3.98 119.74 113.09 2h3i s LYS 30 Ca 0.31 -1.24 -0.03 0.00 -1.36 0.00 0.00 55.97 53.65 2h3i s LYS 30 Cb -0.14 -0.53 0.57 0.00 -1.68 0.00 0.00 37.83 36.05 2h3i s LYS 30 CO 0.17 0.07 1.63 1.25 -0.76 0.00 0.00 175.35 177.71 2h3i h LEU 31 N 3.32 -0.28 -0.88 3.17 5.85 -1.97 0.10 115.31 124.62 2h3i h LEU 31 Ca -0.37 0.21 0.27 0.00 0.84 0.00 0.00 57.88 58.83 2h3i h LEU 31 Cb 1.19 0.35 -0.16 0.00 0.37 0.00 0.00 40.66 42.40 2h3i h LEU 31 CO 0.56 -0.20 0.12 1.17 -0.34 0.00 0.00 178.44 179.75 2h3i n LYS 32 N -5.34 -0.07 -0.13 1.25 0.00 -1.26 0.13 118.16 112.75 2h3i n LYS 32 Ca 0.17 1.30 -0.11 0.00 0.00 0.00 0.00 58.31 59.67 2h3i n LYS 32 Cb 0.58 -2.12 -0.02 0.00 0.00 0.00 0.00 35.03 33.47 2h3i n LYS 32 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 2h3i h HIS 33 N 0.00 0.79 0.69 5.64 -0.00 -1.21 -2.13 115.15 118.94 2h3i h HIS 33 Ca 0.58 -0.16 -0.03 0.00 -0.00 0.00 0.00 60.37 60.76 2h3i h HIS 33 Cb 1.30 -0.20 -0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2h3i h HIS 33 CO -0.35 0.84 -0.43 0.82 -0.00 0.00 0.00 177.93 178.82 2h3i h ILE 34 N 0.51 0.14 -0.49 2.45 2.04 0.11 -2.63 117.51 119.63 2h3i h ILE 34 Ca 0.10 0.00 0.09 0.00 1.00 0.00 0.00 64.86 66.05 2h3i h ILE 34 Cb 0.58 0.14 -0.08 0.00 -0.74 0.00 0.00 36.82 36.72 2h3i h ILE 34 CO 0.03 0.00 -0.01 0.58 0.00 0.00 0.00 178.15 178.76 2h3i h VAL 35 N -1.06 0.61 -0.57 1.67 2.07 -1.34 0.20 116.25 117.84 2h3i h VAL 35 Ca -0.09 -0.04 0.16 0.00 0.82 0.00 0.00 66.70 67.56 2h3i h VAL 35 Cb 0.85 0.49 -0.02 0.00 -1.52 0.00 0.00 31.29 31.09 2h3i h VAL 35 CO 0.09 0.02 0.52 -0.25 0.02 0.00 0.00 177.57 177.97 2h3i h TRP 36 N 0.11 0.00 0.02 1.57 7.01 -1.23 0.28 115.95 123.71 2h3i h TRP 36 Ca 0.25 0.00 -0.04 0.00 2.11 0.00 0.00 58.89 61.20 2h3i h TRP 36 Cb 0.37 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.43 2h3i h TRP 36 CO -0.31 0.00 -0.19 0.00 -2.79 0.00 0.00 178.44 175.14 2h3i h ALA 37 N 1.49 -0.00 -0.54 2.65 0.00 -0.26 -3.11 119.26 119.49 2h3i h ALA 37 Ca 0.27 -0.56 -0.04 0.00 0.00 0.00 0.00 54.91 54.58 2h3i h ALA 37 Cb 1.31 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 19.13 2h3i h ALA 37 CO -0.00 0.10 0.19 1.03 0.00 0.00 0.00 179.25 180.56 2h3i h SER 38 N -0.89 0.77 0.34 0.00 0.87 -0.45 -1.45 113.55 112.74 2h3i h SER 38 Ca -0.04 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.32 2h3i h SER 38 Cb 1.13 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 2h3i h SER 38 CO 0.02 0.75 -0.04 -0.09 -0.53 0.00 0.00 176.83 176.94 2h3i h ARG 39 N 0.74 0.00 0.06 2.24 2.43 -0.66 -2.13 114.38 117.07 2h3i h ARG 39 Ca 0.18 0.00 -0.29 0.00 -0.81 0.00 0.00 59.98 59.06 2h3i h ARG 39 Cb 0.25 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 29.77 2h3i h ARG 39 CO -0.01 0.04 -1.50 1.49 -1.51 0.00 0.00 179.97 178.49 2h3i h GLU 40 N 0.00 0.14 -0.43 0.20 4.81 -1.30 -3.33 114.58 114.68 2h3i h GLU 40 Ca -0.00 -0.23 -0.06 0.00 -0.13 0.00 0.00 59.36 58.94 2h3i h GLU 40 Cb 0.22 0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.67 2h3i h GLU 40 CO 0.01 0.94 0.03 -0.07 -0.73 0.00 0.00 179.01 179.18 2h3i h LEU 41 N 0.04 0.63 -0.59 1.64 3.38 -0.62 0.72 115.31 120.51 2h3i h LEU 41 Ca -0.22 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.60 2h3i h LEU 41 Cb 1.97 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 42.52 2h3i h LEU 41 CO 0.13 0.68 0.27 -0.08 0.09 0.00 0.00 178.44 179.53 2h3i h GLU 42 N 0.64 0.87 0.00 1.13 4.22 -1.61 -1.87 114.58 117.96 2h3i h GLU 42 Ca 0.14 -0.14 -0.24 0.00 0.08 0.00 0.00 59.36 59.20 2h3i h GLU 42 Cb 0.36 -0.15 0.01 0.00 0.50 0.00 0.00 28.75 29.46 2h3i h GLU 42 CO 0.01 0.72 -0.97 -0.09 -2.18 0.00 0.00 179.01 176.49 2h3i h ARG 43 N 0.81 0.47 0.00 1.92 1.12 -1.60 -3.09 114.38 114.01 2h3i h ARG 43 Ca 0.20 -0.51 0.00 0.00 -1.11 0.00 0.00 59.98 58.56 2h3i h ARG 43 Cb 0.15 0.15 0.00 0.00 -0.01 0.00 0.00 29.97 30.25 2h3i h ARG 43 CO -0.02 1.16 0.00 0.74 -3.11 0.00 0.00 179.97 178.73 2h3i h PHE 44 N 0.26 0.00 0.00 2.20 0.04 -0.68 -3.45 116.94 115.32 2h3i h PHE 44 Ca -0.09 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.68 2h3i h PHE 44 Cb 1.61 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.76 2h3i h PHE 44 CO 0.07 0.00 0.00 0.00 -0.60 0.00 0.00 178.31 177.78 2h3i n ALA 45 N -1.90 0.00 -2.81 2.45 0.00 -1.00 -5.04 120.51 112.21 2h3i n ALA 45 Ca -0.02 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.07 2h3i n ALA 45 Cb 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.45 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 -2.15 5.16 -0.17 0.00 1.01 -0.74 -5.04 120.40 118.48 2h3i s VAL 46 Ca 0.00 0.09 -0.37 0.00 0.00 0.00 0.00 61.98 61.70 2h3i s VAL 46 Cb 0.00 -3.28 -0.14 0.00 0.00 0.00 0.00 36.38 32.97 2h3i s VAL 46 CO 0.00 0.55 1.81 0.59 0.00 0.00 0.00 175.10 178.05 2h3i n ASN 47 N 2.64 2.94 0.00 3.32 4.13 -1.26 -4.16 115.26 122.88 2h3i n ASN 47 Ca -0.18 1.02 0.07 0.00 1.68 0.00 0.00 54.58 57.17 2h3i n ASN 47 Cb 0.54 -1.26 0.35 0.00 -1.54 0.00 0.00 39.78 37.86 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 5.99 0.14 0.12 3.52 -0.04 -1.26 -2.61 135.00 140.87 2h3i n PRO 48 Ca 0.24 0.18 0.12 0.00 -0.04 0.00 0.00 63.50 64.01 2h3i n PRO 48 Cb 0.22 -1.50 0.46 0.00 -0.04 0.00 0.00 33.50 32.63 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 -1.47 0.28 0.55 0.00 -1.26 -2.89 105.19 100.38 2h3i n GLY 49 Ca 0.06 0.04 0.19 0.00 0.00 0.00 0.00 46.02 46.31 2h3i n GLY 49 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2h3i h LEU 50 N 0.00 0.00 0.00 0.99 3.38 -1.81 -0.91 115.31 116.96 2h3i h LEU 50 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 2h3i h LEU 50 Cb 0.53 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.28 2h3i h LEU 50 CO 0.00 0.00 -0.97 0.18 0.09 0.00 0.00 178.44 177.74 2h3i n LEU 51 N -2.91 0.69 0.01 1.67 4.77 -1.14 -0.07 117.00 120.02 2h3i n LEU 51 Ca -0.01 0.18 -0.04 0.00 -0.03 0.00 0.00 56.01 56.11 2h3i n LEU 51 Cb 0.15 -0.10 0.19 0.00 -2.33 0.00 0.00 43.42 41.33 2h3i n LEU 51 CO 0.21 -0.07 0.71 -0.08 -1.33 0.00 0.00 177.39 176.83 2h3i h GLU 52 N 0.00 0.49 -6.59 3.23 4.81 -1.31 -3.44 114.58 111.78 2h3i h GLU 52 Ca 0.00 -0.19 -0.66 0.00 -0.13 0.00 0.00 59.36 58.38 2h3i h GLU 52 Cb 0.85 -0.02 -0.25 0.00 0.63 0.00 0.00 28.75 29.96 2h3i h GLU 52 CO 0.00 0.72 -0.86 0.95 -0.73 0.00 0.00 179.01 179.09 2h3i s THR 53 N -4.46 2.03 0.38 0.32 -4.23 -1.23 -5.02 115.64 103.42 2h3i s THR 53 Ca -0.07 -1.47 0.08 0.00 -1.18 0.00 0.00 61.69 59.06 2h3i s THR 53 Cb 0.14 -1.77 0.30 0.00 1.34 0.00 0.00 72.50 72.51 2h3i s THR 53 CO 0.80 0.21 1.96 0.77 -0.54 0.00 0.00 174.62 177.82 2h3i h SER 54 N 4.49 0.59 -0.78 3.99 4.64 -1.85 -1.29 113.55 123.35 2h3i h SER 54 Ca -0.47 0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 60.81 2h3i h SER 54 Cb 1.16 -0.12 -0.03 0.00 -0.31 0.00 0.00 62.40 63.10 2h3i h SER 54 CO 0.42 0.37 0.29 -0.08 -0.87 0.00 0.00 176.83 176.96 2h3i h GLU 55 N 0.66 1.17 -0.61 4.77 4.81 -1.96 -2.89 114.58 120.54 2h3i h GLU 55 Ca 0.31 -0.22 0.05 0.00 -0.13 0.00 0.00 59.36 59.38 2h3i h GLU 55 Cb 0.36 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 2h3i h GLU 55 CO -0.10 0.96 0.33 0.78 -0.73 0.00 0.00 179.01 180.24 2h3i h GLY 56 N 1.15 0.88 0.97 1.92 0.00 -1.27 -2.63 103.07 104.10 2h3i h GLY 56 Ca 0.26 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.37 2h3i h GLY 56 CO -0.02 0.14 0.07 0.00 0.00 0.00 0.00 176.54 176.73 2h3i h ARG 58 N 0.15 0.15 0.09 0.00 2.47 -1.31 0.40 114.38 116.33 2h3i h ARG 58 Ca 0.05 -0.01 -0.27 0.00 -1.26 0.00 0.00 59.98 58.49 2h3i h ARG 58 Cb -0.00 -0.03 0.03 0.00 -1.65 0.00 0.00 29.97 28.31 2h3i h ARG 58 CO -0.02 0.10 -1.11 1.96 0.56 0.00 0.00 179.97 181.45 2h3i h GLN 59 N 0.15 0.60 0.31 0.04 1.08 -1.27 -3.26 115.11 112.76 2h3i h GLN 59 Ca 0.65 -0.76 -0.00 0.00 -1.45 0.00 0.00 58.65 57.09 2h3i h GLN 59 Cb 2.17 0.24 -0.01 0.00 -0.05 0.00 0.00 27.48 29.83 2h3i h GLN 59 CO -0.18 1.33 -0.26 0.82 -0.95 0.00 0.00 178.83 179.60 2h3i h ILE 60 N 0.21 0.46 -0.95 2.54 2.04 0.20 -1.79 117.51 120.22 2h3i h ILE 60 Ca -0.16 0.00 0.26 0.00 1.00 0.00 0.00 64.86 65.96 2h3i h ILE 60 Cb 1.79 0.46 -0.05 0.00 -0.74 0.00 0.00 36.82 38.28 2h3i h ILE 60 CO 0.21 0.00 0.66 -0.07 0.00 0.00 0.00 178.15 178.96 2h3i h LEU 61 N -0.58 0.11 -0.68 1.44 3.38 -1.41 0.27 115.31 117.84 2h3i h LEU 61 Ca -0.02 0.02 -0.14 0.00 0.09 0.00 0.00 57.88 57.83 2h3i h LEU 61 Cb 0.51 -0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.25 2h3i h LEU 61 CO -0.02 0.04 -0.50 1.23 0.09 0.00 0.00 178.44 179.27 2h3i h GLY 62 N 0.11 0.44 1.64 0.83 0.00 -1.37 0.30 103.07 105.02 2h3i h GLY 62 Ca 0.47 -0.48 0.00 0.00 0.00 0.00 0.00 47.33 47.32 2h3i h GLY 62 CO -0.06 0.43 0.00 -0.18 0.00 0.00 0.00 176.54 176.73 2h3i n GLN 63 N -3.97 0.30 -0.00 4.80 0.00 0.94 -3.09 117.38 116.36 2h3i n GLN 63 Ca -0.02 0.05 0.02 0.00 -0.00 0.00 0.00 57.00 57.05 2h3i n GLN 63 Cb 0.56 -1.50 -0.03 0.00 0.00 0.00 0.00 30.24 29.27 2h3i n GLN 63 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.06 178.34 2h3i n LEU 64 N -1.32 0.02 -0.22 1.69 4.77 -1.01 -4.67 117.00 116.25 2h3i n LEU 64 Ca 0.11 -0.06 -0.06 0.00 -0.03 0.00 0.00 56.01 55.97 2h3i n LEU 64 Cb 0.21 0.00 -0.05 0.00 -2.33 0.00 0.00 43.42 41.25 2h3i n LEU 64 CO 0.20 0.00 0.25 0.00 -1.33 0.00 0.00 177.39 176.52 2h3i n GLN 65 N -1.55 -0.23 0.01 3.23 6.02 0.10 -0.03 117.38 124.93 2h3i n GLN 65 Ca -0.00 0.79 -0.13 0.00 -0.01 0.00 0.00 57.00 57.65 2h3i n GLN 65 Cb 0.08 -1.17 -0.09 0.00 1.02 0.00 0.00 30.24 30.08 2h3i n GLN 65 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 177.06 175.05 2h3i h PRO 66 N 0.00 -0.07 -0.78 -1.09 0.13 -1.86 -3.10 132.00 125.24 2h3i h PRO 66 Ca 0.09 0.00 0.23 0.00 -0.87 0.00 0.00 66.00 65.45 2h3i h PRO 66 Cb 0.22 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 31.33 2h3i h PRO 66 CO -0.49 0.39 0.76 0.77 -0.23 0.00 0.00 178.00 179.20 2h3i h SER 67 N -0.56 0.00 -0.59 1.44 0.02 -1.01 0.37 113.55 113.22 2h3i h SER 67 Ca -0.01 0.00 0.16 0.00 -0.84 0.00 0.00 61.79 61.10 2h3i h SER 67 Cb 0.49 0.00 -0.03 0.00 0.14 0.00 0.00 62.40 63.00 2h3i h SER 67 CO 0.01 0.00 0.42 -0.07 -1.14 0.00 0.00 176.83 176.05 2h3i h LEU 68 N 0.00 0.07 -0.63 5.07 3.38 -0.36 0.37 115.31 123.20 2h3i h LEU 68 Ca 0.37 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.47 2h3i h LEU 68 Cb 1.88 -0.01 -0.10 0.00 0.09 0.00 0.00 40.66 42.52 2h3i h LEU 68 CO -0.00 0.04 0.08 -0.61 0.09 0.00 0.00 178.44 178.03 2h3i h GLN 69 N 0.07 0.18 -0.84 1.13 5.75 -0.44 -3.26 115.11 117.71 2h3i h GLN 69 Ca 0.28 -0.01 -0.34 0.00 -0.15 0.00 0.00 58.65 58.44 2h3i h GLN 69 Cb 1.03 -0.04 -0.35 0.00 1.07 0.00 0.00 27.48 29.18 2h3i h GLN 69 CO -0.02 0.12 -1.04 2.41 -2.65 0.00 0.00 178.83 177.65 2h3i n THR 70 N -5.21 0.78 -2.88 2.39 -1.04 -0.59 -5.11 114.28 102.62 2h3i n THR 70 Ca 0.10 -2.80 -0.41 0.00 -2.04 0.00 0.00 64.05 58.90 2h3i n THR 70 Cb 0.37 0.71 -0.04 0.00 -1.82 0.00 0.00 70.33 69.55 2h3i n THR 70 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2h3i s GLY 71 N -2.75 2.80 1.17 3.41 0.00 0.12 -5.04 107.32 107.02 2h3i s GLY 71 Ca 0.26 0.35 -0.17 0.00 0.00 0.00 0.00 44.72 45.16 2h3i s GLY 71 CO 0.01 1.38 0.36 -1.14 0.00 0.00 0.00 173.10 173.72 2h3i n SER 72 N 3.56 -2.70 -0.01 1.64 3.41 -1.26 -4.27 113.62 113.99 2h3i n SER 72 Ca 0.02 -0.31 0.23 0.00 -0.26 0.00 0.00 58.87 58.55 2h3i n SER 72 Cb 0.51 -0.97 0.71 0.00 -0.26 0.00 0.00 64.21 64.20 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 -2.57 0.00 0.10 4.33 4.22 -1.99 -0.82 114.58 117.85 2h3i h GLU 73 Ca -0.47 0.00 -0.00 0.00 0.08 0.00 0.00 59.36 58.96 2h3i h GLU 73 Cb 1.22 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.47 2h3i h GLU 73 CO 0.33 0.00 -0.05 0.93 -2.18 0.00 0.00 179.01 178.05 2h3i h GLU 74 N 0.00 -0.13 -0.99 1.92 5.08 -1.98 -1.36 114.58 117.13 2h3i h GLU 74 Ca 0.28 0.01 0.12 0.00 -1.00 0.00 0.00 59.36 58.77 2h3i h GLU 74 Cb 1.45 0.03 -0.08 0.00 0.50 0.00 0.00 28.75 30.65 2h3i h GLU 74 CO -0.00 0.38 0.63 1.25 -1.00 0.00 0.00 179.01 180.27 2h3i h LEU 75 N -0.87 0.92 -0.16 1.33 6.46 -1.46 0.83 115.31 122.36 2h3i h LEU 75 Ca -0.01 0.04 -0.14 0.00 -0.12 0.00 0.00 57.88 57.66 2h3i h LEU 75 Cb 0.57 -0.14 0.00 0.00 -0.73 0.00 0.00 40.66 40.36 2h3i h LEU 75 CO 0.02 0.49 -0.43 0.03 -0.62 0.00 0.00 178.44 177.94 2h3i h ARG 76 N 0.99 0.57 0.00 1.25 3.08 -1.37 -2.66 114.38 116.23 2h3i h ARG 76 Ca 0.49 -0.40 -0.02 0.00 0.07 0.00 0.00 59.98 60.12 2h3i h ARG 76 Cb 0.48 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.59 2h3i h ARG 76 CO -0.25 1.02 -0.07 0.77 -1.07 0.00 0.00 179.97 180.37 2h3i h SER 77 N 0.22 0.00 0.10 7.04 0.02 -0.42 -2.70 113.55 117.81 2h3i h SER 77 Ca -0.01 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.94 2h3i h SER 77 Cb 1.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.59 2h3i h SER 77 CO 0.09 0.07 -0.05 -0.07 -1.14 0.00 0.00 176.83 175.74 2h3i h LEU 78 N 0.00 -0.11 -0.89 5.07 -0.00 -0.75 -3.17 115.31 115.46 2h3i h LEU 78 Ca -0.00 0.00 0.23 0.00 -0.00 0.00 0.00 57.88 58.12 2h3i h LEU 78 Cb 0.31 0.03 -0.14 0.00 -0.00 0.00 0.00 40.66 40.86 2h3i h LEU 78 CO 0.01 0.27 0.31 0.22 -0.00 0.00 0.00 178.44 179.24 2h3i h TYR 79 N -0.83 0.49 0.13 1.13 5.03 -1.46 0.06 116.97 121.52 2h3i h TYR 79 Ca -0.01 0.05 -0.00 0.00 2.58 0.00 0.00 58.73 61.34 2h3i h TYR 79 Cb 0.10 -0.07 -0.01 0.00 1.55 0.00 0.00 36.73 38.30 2h3i h TYR 79 CO 0.01 -0.15 -0.16 -0.91 -1.32 0.00 0.00 178.16 175.62 2h3i h ASN 80 N 0.28 -0.45 -0.12 -2.11 4.21 -1.61 -1.49 115.58 114.28 2h3i h ASN 80 Ca 0.56 0.04 0.05 0.00 1.21 0.00 0.00 56.30 58.16 2h3i h ASN 80 Cb 1.13 0.15 -0.06 0.00 -1.12 0.00 0.00 38.32 38.42 2h3i h ASN 80 CO -0.61 -0.20 -0.33 0.74 -1.29 0.00 0.00 177.43 175.74 2h3i h THR 81 N -0.30 0.27 -0.97 2.81 2.02 -1.36 -1.09 112.91 114.29 2h3i h THR 81 Ca -0.02 0.00 0.32 0.00 0.77 0.00 0.00 66.41 67.48 2h3i h THR 81 Cb 0.27 0.27 -0.16 0.00 -1.74 0.00 0.00 68.15 66.80 2h3i h THR 81 CO -0.03 0.00 0.43 0.40 0.37 0.00 0.00 175.52 176.69 2h3i h ILE 82 N -0.41 0.20 -0.38 3.11 2.04 -0.95 0.30 117.51 121.43 2h3i h ILE 82 Ca 0.09 -0.07 0.08 0.00 1.00 0.00 0.00 64.86 65.96 2h3i h ILE 82 Cb 0.55 -0.00 -0.07 0.00 -0.74 0.00 0.00 36.82 36.56 2h3i h ILE 82 CO -0.35 0.03 -0.09 0.00 0.00 0.00 0.00 178.15 177.74 2h3i h ALA 83 N 1.89 0.25 0.25 1.87 0.00 -0.09 -1.54 119.26 121.88 2h3i h ALA 83 Ca 0.71 0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.75 2h3i h ALA 83 Cb 1.64 0.28 0.00 0.00 0.00 0.00 0.00 17.79 19.72 2h3i h ALA 83 CO -0.69 -0.45 -0.12 0.28 0.00 0.00 0.00 179.25 178.27 2h3i h VAL 84 N 0.00 0.81 -0.03 0.00 2.07 -0.42 -2.54 116.25 116.15 2h3i h VAL 84 Ca 0.18 -0.49 0.01 0.00 0.82 0.00 0.00 66.70 67.22 2h3i h VAL 84 Cb 0.28 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.13 2h3i h VAL 84 CO -0.39 0.11 0.50 0.25 0.02 0.00 0.00 177.57 178.06 2h3i h LEU 85 N -0.59 0.00 0.08 2.57 5.85 -1.03 0.17 115.31 122.35 2h3i h LEU 85 Ca -0.03 0.00 -0.17 0.00 0.84 0.00 0.00 57.88 58.52 2h3i h LEU 85 Cb 0.43 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.46 2h3i h LEU 85 CO 0.06 0.00 -0.83 0.22 -0.34 0.00 0.00 178.44 177.55 2h3i h TYR 86 N 0.00 0.30 0.00 1.25 3.20 -0.88 -3.28 116.97 117.56 2h3i h TYR 86 Ca 0.01 -0.22 -0.04 0.00 3.14 0.00 0.00 58.73 61.63 2h3i h TYR 86 Cb 1.02 -0.01 -0.01 0.00 1.54 0.00 0.00 36.73 39.27 2h3i h TYR 86 CO 0.00 1.32 -0.18 0.00 -1.64 0.00 0.00 178.16 177.66 2h3i h VAL 88 N 0.00 1.30 0.14 0.00 2.07 -1.26 0.22 116.25 118.71 2h3i h VAL 88 Ca -0.00 -1.50 -0.33 0.00 0.82 0.00 0.00 66.70 65.69 2h3i h VAL 88 Cb 0.45 1.53 -0.00 0.00 -1.52 0.00 0.00 31.29 31.74 2h3i h VAL 88 CO 0.02 0.47 -1.65 0.45 0.02 0.00 0.00 177.57 176.89 2h3i h HIS 89 N 0.42 0.52 -0.10 1.57 -0.00 -1.50 -3.31 115.15 112.75 2h3i h HIS 89 Ca 0.04 -0.38 0.00 0.00 -0.00 0.00 0.00 60.37 60.03 2h3i h HIS 89 Cb 0.84 -0.02 0.00 0.00 -0.00 0.00 0.00 27.41 28.23 2h3i h HIS 89 CO 0.03 1.49 0.00 1.04 -0.00 0.00 0.00 177.93 180.49 2h3i n GLN 90 N -3.48 1.66 -3.61 2.45 1.13 -0.56 -4.92 117.38 110.05 2h3i n GLN 90 Ca -0.20 -0.98 -0.26 0.00 -1.94 0.00 0.00 57.00 53.62 2h3i n GLN 90 Cb 1.06 -1.43 0.05 0.00 0.11 0.00 0.00 30.24 30.03 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 -6.37 -2.75 -1.09 0.63 0.40 -4.92 116.66 102.75 2h3i n ARG 91 Ca 0.17 0.74 -0.43 0.00 -0.92 0.00 0.00 57.85 57.41 2h3i n ARG 91 Cb 0.32 -5.69 -0.03 0.00 0.45 0.00 0.00 32.46 27.51 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 -3.27 4.49 0.08 5.15 1.01 0.50 -4.98 121.20 124.18 2h3i s ILE 92 Ca 0.56 1.19 -0.37 0.00 0.00 0.00 0.00 60.65 62.04 2h3i s ILE 92 Cb -0.27 -4.41 -0.17 0.00 0.01 0.00 0.00 42.46 37.63 2h3i s ILE 92 CO 0.70 -0.66 1.31 -0.67 0.00 0.00 0.00 174.94 175.62 2h3i n ASP 93 N 7.03 1.46 -3.71 3.58 2.03 -1.26 -4.77 116.55 120.91 2h3i n ASP 93 Ca 0.08 1.12 -0.12 0.00 0.52 0.00 0.00 54.79 56.39 2h3i n ASP 93 Cb 0.48 -1.16 -0.10 0.00 -0.72 0.00 0.00 41.12 39.62 2h3i n ASP 93 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 2h3i s VAL 94 N 0.42 -0.01 -1.09 5.18 -7.23 -1.26 -4.80 120.40 111.61 2h3i s VAL 94 Ca 0.85 0.02 0.15 0.00 -1.81 0.00 0.00 61.98 61.19 2h3i s VAL 94 Cb -0.99 -0.62 -0.07 0.00 0.56 0.00 0.00 36.38 35.26 2h3i s VAL 94 CO 0.48 0.01 0.73 1.17 -0.31 0.00 0.00 175.10 177.18 2h3i n LYS 95 N 3.24 1.95 -3.64 4.82 4.81 -1.26 -4.84 118.16 123.24 2h3i n LYS 95 Ca -0.16 -0.44 -0.02 0.00 -0.87 0.00 0.00 58.31 56.82 2h3i n LYS 95 Cb 0.57 -1.22 -0.01 0.00 0.02 0.00 0.00 35.03 34.38 2h3i n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2h3i s ASP 96 N -2.06 -0.13 0.13 3.14 1.47 -1.26 -4.11 116.67 113.86 2h3i s ASP 96 Ca 0.10 -0.16 -0.27 0.00 1.18 0.00 0.00 52.55 53.40 2h3i s ASP 96 Cb 0.12 0.25 -0.07 0.00 -0.34 0.00 0.00 42.92 42.88 2h3i s ASP 96 CO 0.47 -0.45 1.46 0.74 0.68 0.00 0.00 175.17 178.08 2h3i h THR 97 N 2.00 0.00 -0.55 2.11 2.02 -1.65 0.54 112.91 117.38 2h3i h THR 97 Ca -0.24 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.05 2h3i h THR 97 Cb 1.21 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 67.51 2h3i h THR 97 CO 0.27 0.00 -0.17 0.50 0.37 0.00 0.00 175.52 176.48 2h3i h LYS 98 N -0.10 -0.04 -1.14 6.66 1.63 -1.90 0.23 116.57 121.91 2h3i h LYS 98 Ca 0.12 0.00 0.33 0.00 -0.85 0.00 0.00 60.65 60.25 2h3i h LYS 98 Cb 0.40 0.01 -0.11 0.00 -0.60 0.00 0.00 32.23 31.93 2h3i h LYS 98 CO -0.72 -0.03 0.74 0.93 -3.45 0.00 0.00 179.45 176.92 2h3i h GLU 99 N -0.04 0.26 0.00 1.90 4.39 -1.29 0.20 114.58 119.99 2h3i h GLU 99 Ca 0.26 -0.02 -0.12 0.00 0.34 0.00 0.00 59.36 59.83 2h3i h GLU 99 Cb 0.44 -0.06 0.01 0.00 -0.10 0.00 0.00 28.75 29.05 2h3i h GLU 99 CO -0.59 0.17 -0.47 0.00 -1.16 0.00 0.00 179.01 176.96 2h3i h ALA 100 N 1.62 0.05 0.63 3.43 0.00 -0.01 -2.87 119.26 122.10 2h3i h ALA 100 Ca 0.68 -0.53 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 2h3i h ALA 100 Cb 1.93 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 19.74 2h3i h ALA 100 CO -0.35 0.25 -0.39 -0.07 0.00 0.00 0.00 179.25 178.69 2h3i h LEU 101 N -0.27 -0.99 -0.77 0.00 3.38 0.17 -2.73 115.31 114.11 2h3i h LEU 101 Ca -0.06 0.06 0.14 0.00 0.09 0.00 0.00 57.88 58.10 2h3i h LEU 101 Cb 1.21 0.29 -0.09 0.00 0.09 0.00 0.00 40.66 42.16 2h3i h LEU 101 CO 0.09 -0.61 0.35 0.44 0.09 0.00 0.00 178.44 178.80 2h3i h ASP 102 N -0.96 0.37 -0.55 -0.43 3.32 -1.04 0.23 116.42 117.36 2h3i h ASP 102 Ca -0.08 0.10 0.16 0.00 0.02 0.00 0.00 57.03 57.23 2h3i h ASP 102 Cb 0.78 0.05 -0.02 0.00 0.22 0.00 0.00 39.33 40.36 2h3i h ASP 102 CO 0.07 0.16 0.45 0.11 -1.72 0.00 0.00 179.24 178.31 2h3i h LYS 103 N 0.51 0.00 0.00 3.56 1.79 -1.25 0.31 116.57 121.49 2h3i h LYS 103 Ca 0.42 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.74 2h3i h LYS 103 Cb 0.60 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.22 2h3i h LYS 103 CO -0.37 0.00 -1.30 0.82 -1.08 0.00 0.00 179.45 177.52 2h3i h ILE 104 N 0.00 0.50 0.12 1.86 2.04 -0.34 -3.32 117.51 118.37 2h3i h ILE 104 Ca 0.26 -1.95 -0.25 0.00 1.00 0.00 0.00 64.86 63.92 2h3i h ILE 104 Cb 1.15 2.03 0.03 0.00 -0.74 0.00 0.00 36.82 39.29 2h3i h ILE 104 CO -0.00 0.28 -1.06 -0.08 0.00 0.00 0.00 178.15 177.29 2h3i h GLU 105 N 0.00 0.51 -0.00 2.37 4.81 0.47 -3.25 114.58 119.49 2h3i h GLU 105 Ca -0.14 -0.71 -0.01 0.00 -0.13 0.00 0.00 59.36 58.37 2h3i h GLU 105 Cb 1.53 0.24 -0.00 0.00 0.63 0.00 0.00 28.75 31.14 2h3i h GLU 105 CO 0.05 1.31 -0.06 0.93 -0.73 0.00 0.00 179.01 180.50 2h3i h GLU 106 N 0.06 0.00 0.00 1.92 5.08 -0.79 0.16 114.58 121.01 2h3i h GLU 106 Ca -0.17 -0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.12 2h3i h GLU 106 Cb 1.78 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 31.02 2h3i h GLU 106 CO 0.20 0.07 -0.35 0.93 -1.00 0.00 0.00 179.01 178.86 2h3i h GLU 107 N 0.00 0.00 0.07 2.33 5.08 -1.65 -2.81 114.58 117.60 2h3i h GLU 107 Ca -0.00 0.00 -0.35 0.00 -1.00 0.00 0.00 59.36 58.01 2h3i h GLU 107 Cb 0.12 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.33 2h3i h GLU 107 CO 0.01 0.35 -2.03 0.94 -1.00 0.00 0.00 179.01 177.28 2h3i n GLN 108 N -3.74 0.71 -0.33 2.33 -0.06 -0.43 -4.21 117.38 111.64 2h3i n GLN 108 Ca -0.01 0.24 0.04 0.00 -2.00 0.00 0.00 57.00 55.26 2h3i n GLN 108 Cb 0.44 -1.69 0.22 0.00 -4.06 0.00 0.00 30.24 25.15 2h3i n GLN 108 CO 0.00 0.00 0.00 -0.91 -0.20 0.00 0.00 177.06 175.95 2h3i h ASN 109 N 0.04 0.95 -0.54 1.69 4.21 -0.71 -0.89 115.58 120.33 2h3i h ASN 109 Ca -0.42 0.01 0.04 0.00 1.21 0.00 0.00 56.30 57.14 2h3i h ASN 109 Cb 2.03 -0.20 -0.03 0.00 -1.12 0.00 0.00 38.32 39.00 2h3i h ASN 109 CO 0.06 0.61 0.36 0.11 -1.29 0.00 0.00 177.43 177.27 2h3i h LYS 110 N 1.08 0.55 -0.91 0.81 1.57 -1.67 -0.62 116.57 117.38 2h3i h LYS 110 Ca 0.41 -0.03 -0.42 0.00 -1.87 0.00 0.00 60.65 58.73 2h3i h LYS 110 Cb 0.20 -0.12 -0.25 0.00 0.08 0.00 0.00 32.23 32.13 2h3i h LYS 110 CO -0.16 0.37 0.53 0.45 -0.57 0.00 0.00 179.45 180.07 2h3i n SER 111 N -4.47 4.07 0.00 0.86 2.88 -0.37 -4.25 113.62 112.34 2h3i n SER 111 Ca 0.07 -3.50 0.00 0.00 -1.33 0.00 0.00 58.87 54.11 2h3i n SER 111 Cb 0.18 -0.81 0.00 0.00 -0.75 0.00 0.00 64.21 62.83 2h3i n SER 111 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2h3i n LYS 112 N -0.85 0.00 -0.07 -1.46 0.00 -0.28 -4.69 118.16 110.81 2h3i n LYS 112 Ca 0.54 0.00 0.02 0.00 0.00 0.00 0.00 58.31 58.87 2h3i n LYS 112 Cb 1.58 -0.40 0.35 0.00 0.00 0.00 0.00 35.03 36.56 2h3i n LYS 112 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.40 178.27 2h3i h LYS 113 N 0.00 0.68 -0.36 1.64 1.57 -1.64 -1.70 116.57 116.76 2h3i h LYS 113 Ca 0.00 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.72 2h3i h LYS 113 Cb 0.77 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.91 2h3i h LYS 113 CO 0.00 0.48 0.20 0.87 -0.57 0.00 0.00 179.45 180.42 2h3i h LYS 114 N 0.69 0.49 -0.49 3.15 1.57 -1.83 -1.51 116.57 118.65 2h3i h LYS 114 Ca 0.18 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 2h3i h LYS 114 Cb -0.02 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 2h3i h LYS 114 CO -0.03 0.37 0.25 0.00 -0.57 0.00 0.00 179.45 179.46 2h3i h ALA 115 N 1.71 1.52 -0.65 3.86 0.00 -1.58 -2.67 119.26 121.45 2h3i h ALA 115 Ca 0.13 -0.09 -0.45 0.00 0.00 0.00 0.00 54.91 54.50 2h3i h ALA 115 Cb 0.02 -0.20 -0.30 0.00 0.00 0.00 0.00 17.79 17.31 2h3i h ALA 115 CO -0.02 0.39 -0.34 0.94 0.00 0.00 0.00 179.25 180.22 2h3i n GLN 116 N -4.40 2.92 -0.01 0.00 -0.06 -0.69 -4.62 117.38 110.52 2h3i n GLN 116 Ca 0.04 -3.74 -0.07 0.00 -2.00 0.00 0.00 57.00 51.23 2h3i n GLN 116 Cb 0.11 -2.13 -0.13 0.00 -4.06 0.00 0.00 30.24 24.03 2h3i n GLN 116 CO 0.00 0.00 0.00 1.96 -0.20 0.00 0.00 177.06 178.82 2h3i h GLN 117 N 1.81 0.00 -1.00 3.69 1.08 -0.94 -3.34 115.11 116.40 2h3i h GLN 117 Ca 0.35 0.00 -0.54 0.00 -1.45 0.00 0.00 58.65 57.01 2h3i h GLN 117 Cb 1.39 0.00 -0.30 0.00 -0.05 0.00 0.00 27.48 28.52 2h3i h GLN 117 CO 0.77 0.46 0.69 0.00 -0.95 0.00 0.00 178.83 179.81 2h3i n ALA 118 N -2.52 5.71 -1.99 3.87 0.00 -1.26 -4.16 120.51 120.17 2h3i n ALA 118 Ca -0.15 -2.97 -0.06 0.00 0.00 0.00 0.00 53.44 50.26 2h3i n ALA 118 Cb 1.01 -1.51 -0.06 0.00 0.00 0.00 0.00 19.45 18.88 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 -1.07 3.53 -2.13 0.00 0.00 -1.26 -4.93 120.51 114.66 2h3i n ALA 119 Ca 0.60 -0.63 -0.01 0.00 0.00 0.00 0.00 53.44 53.40 2h3i n ALA 119 Cb 1.44 -0.31 -0.02 0.00 0.00 0.00 0.00 19.45 20.57 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 0.00 2.61 -2.42 0.00 0.00 -1.25 -4.95 120.51 114.50 2h3i n ALA 120 Ca -0.25 -1.01 -0.34 0.00 0.00 0.00 0.00 53.44 51.84 2h3i n ALA 120 Cb 0.68 -0.39 0.01 0.00 0.00 0.00 0.00 19.45 19.75 2h3i n ALA 120 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2h3i n ASP 121 N 0.13 6.21 -4.04 0.00 5.75 -1.26 -4.91 116.55 118.43 2h3i n ASP 121 Ca -0.07 -3.75 -0.34 0.00 -0.01 0.00 0.00 54.79 50.63 2h3i n ASP 121 Cb 0.76 -0.84 -0.11 0.00 -1.03 0.00 0.00 41.12 39.91 2h3i n ASP 121 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 2h3i s THR 122 N -4.92 3.41 0.00 2.12 -4.23 -1.26 -5.08 115.64 105.69 2h3i s THR 122 Ca 0.47 -3.34 0.01 0.00 -1.18 0.00 0.00 61.69 57.65 2h3i s THR 122 Cb 0.34 -3.24 -0.04 0.00 1.34 0.00 0.00 72.50 70.91 2h3i s THR 122 CO -0.24 -0.90 0.05 -0.83 -0.54 0.00 0.00 174.62 172.15 2h3i s GLY 123 N 0.05 1.96 -0.27 3.99 0.00 -1.26 -5.11 107.32 106.68 2h3i s GLY 123 Ca 0.19 -0.91 -0.25 0.00 0.00 0.00 0.00 44.72 43.75 2h3i s GLY 123 CO -0.05 -0.79 0.89 0.21 0.00 0.00 0.00 173.10 173.35 2h3i s ASN 124 N -1.71 -0.58 -0.30 1.64 3.84 -1.26 -5.14 114.94 111.43 2h3i s ASN 124 Ca 0.22 1.12 -0.19 0.00 0.21 0.00 0.00 52.86 54.21 2h3i s ASN 124 Cb -0.12 1.13 -0.01 0.00 -0.55 0.00 0.00 41.25 41.70 2h3i s ASN 124 CO 0.13 -0.20 0.58 0.20 -2.79 0.00 0.00 177.10 175.02 2h3i s ASN 125 N 0.26 6.46 -0.16 -4.21 0.01 -1.26 -5.05 114.94 110.99 2h3i s ASN 125 Ca 0.02 0.41 -0.12 0.00 -0.71 0.00 0.00 52.86 52.45 2h3i s ASN 125 Cb -0.05 -2.31 -0.05 0.00 0.41 0.00 0.00 41.25 39.26 2h3i s ASN 125 CO -0.03 -0.42 0.24 -0.44 -1.51 0.00 0.00 177.10 174.94 2h3i s SER 126 N 1.62 6.38 -0.29 -1.22 0.01 -1.26 -5.06 113.70 113.87 2h3i s SER 126 Ca 0.23 0.43 -0.14 0.00 1.31 0.00 0.00 55.95 57.78 2h3i s SER 126 Cb -0.15 -2.15 0.12 0.00 0.21 0.00 0.00 66.02 64.05 2h3i s SER 126 CO 0.11 0.15 0.79 -1.58 0.41 0.00 0.00 173.24 173.12 2h3i s GLN 127 N 0.27 0.54 -0.28 12.44 0.74 -1.26 -5.17 119.66 126.94 2h3i s GLN 127 Ca 0.14 1.09 -0.26 0.00 0.05 0.00 0.00 55.36 56.38 2h3i s GLN 127 Cb -0.12 0.37 0.17 0.00 1.10 0.00 0.00 33.01 34.52 2h3i s GLN 127 CO 0.02 -0.14 1.31 0.54 -0.55 0.00 0.00 175.29 176.47 2h3i s VAL 128 N 2.03 0.00 0.79 1.34 0.11 -1.26 -5.16 120.40 118.25 2h3i s VAL 128 Ca -0.08 0.00 -0.12 0.00 -2.93 0.00 0.00 61.98 58.85 2h3i s VAL 128 Cb -0.07 -1.00 0.07 0.00 -1.53 0.00 0.00 36.38 33.86 2h3i s VAL 128 CO -0.18 0.00 1.14 -0.44 -3.33 0.00 0.00 175.10 172.29 2h3i s SER 129 N -0.17 4.01 -0.20 3.54 0.01 -1.26 -5.06 113.70 114.58 2h3i s SER 129 Ca 0.06 2.09 -0.14 0.00 1.31 0.00 0.00 55.95 59.27 2h3i s SER 129 Cb -0.04 -2.56 0.06 0.00 0.21 0.00 0.00 66.02 63.69 2h3i s SER 129 CO -0.11 -2.37 0.50 -1.58 0.41 0.00 0.00 173.24 170.08 2h3i s GLN 130 N -4.48 0.53 0.01 12.44 0.74 -1.26 -5.17 119.66 122.47 2h3i s GLN 130 Ca 0.67 0.82 -0.02 0.00 0.05 0.00 0.00 55.36 56.88 2h3i s GLN 130 Cb -0.22 0.14 -0.01 0.00 1.10 0.00 0.00 33.01 34.02 2h3i s GLN 130 CO 0.52 -0.12 0.03 1.21 -0.55 0.00 0.00 175.29 176.38 2h3i s ASN 131 N 0.95 0.14 0.00 6.67 2.47 -1.26 -5.36 114.94 118.55 2h3i s ASN 131 Ca -0.05 -0.35 0.00 0.00 0.42 0.00 0.00 52.86 52.88 2h3i s ASN 131 Cb -0.06 0.13 0.00 0.00 -1.45 0.00 0.00 41.25 39.88 2h3i s ASN 131 CO -0.08 -0.29 0.00 0.00 -3.72 0.00 0.00 177.10 173.01