#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3i h ALA 3 N 0.00 1.12 -2.27 4.61 0.00 -2.12 -3.42 119.26 117.18 2h3i h ALA 3 Ca 0.00 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 54.80 2h3i h ALA 3 Cb 0.00 -0.01 -0.23 0.00 0.00 0.00 0.00 17.79 17.55 2h3i h ALA 3 CO 0.00 0.09 -0.09 1.03 0.00 0.00 0.00 179.25 180.28 2h3i s ARG 4 N -3.99 0.60 0.18 0.00 1.81 -1.26 -5.17 118.95 111.12 2h3i s ARG 4 Ca -0.02 1.01 0.10 0.00 -1.72 0.00 0.00 55.73 55.09 2h3i s ARG 4 Cb 0.12 0.13 -0.04 0.00 -0.45 0.00 0.00 34.95 34.70 2h3i s ARG 4 CO 0.54 -0.14 -0.15 0.00 -0.68 0.00 0.00 175.30 174.87 2h3i s ALA 5 N 1.29 2.80 0.26 2.13 0.00 -1.26 -5.01 121.76 121.97 2h3i s ALA 5 Ca -0.08 -1.51 0.00 0.00 0.00 0.00 0.00 51.96 50.38 2h3i s ALA 5 Cb -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 23.12 22.45 2h3i s ALA 5 CO -0.13 0.47 0.00 0.43 0.00 0.00 0.00 175.76 176.53 2h3i n SER 6 N 0.20 -7.18 0.00 0.00 7.64 -1.26 -5.03 113.62 107.98 2h3i n SER 6 Ca -0.12 0.94 0.00 0.00 1.01 0.00 0.00 58.87 60.70 2h3i n SER 6 Cb 0.55 -3.20 0.00 0.00 -1.01 0.00 0.00 64.21 60.55 2h3i n SER 6 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 2h3i n VAL 7 N 0.21 0.00 0.00 0.44 0.31 -1.26 -4.97 118.33 113.06 2h3i n VAL 7 Ca 0.00 0.08 0.00 0.00 -0.01 0.00 0.00 64.34 64.41 2h3i n VAL 7 Cb 0.00 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 31.99 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 -1.50 0.00 0.00 7.52 4.32 -1.26 -4.87 117.00 121.20 2h3i n LEU 8 Ca 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 56.01 55.93 2h3i n LEU 8 Cb 0.00 0.00 0.04 0.00 -1.62 0.00 0.00 43.42 41.84 2h3i n LEU 8 CO 0.00 0.00 0.18 -1.54 -1.22 0.00 0.00 177.39 174.81 2h3i n SER 9 N 0.00 0.10 0.45 -1.43 3.41 -1.26 -4.71 113.62 110.19 2h3i n SER 9 Ca 0.00 -1.15 -0.18 0.00 -0.26 0.00 0.00 58.87 57.28 2h3i n SER 9 Cb 0.00 -0.20 -0.09 0.00 -0.26 0.00 0.00 64.21 63.66 2h3i n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3i h GLY 10 N -0.32 -1.22 -0.79 5.00 0.00 -1.98 0.48 103.07 104.25 2h3i h GLY 10 Ca -0.09 0.46 0.38 0.00 0.00 0.00 0.00 47.33 48.08 2h3i h GLY 10 CO 0.07 -0.44 0.81 -1.33 0.00 0.00 0.00 176.54 175.65 2h3i h GLY 11 N -1.16 1.17 1.15 4.60 0.00 -2.01 0.33 103.07 107.16 2h3i h GLY 11 Ca -0.12 -0.13 -0.33 0.00 0.00 0.00 0.00 47.33 46.75 2h3i h GLY 11 CO 0.18 -0.29 -1.58 -2.09 0.00 0.00 0.00 176.54 172.77 2h3i h GLU 12 N 0.17 0.40 -0.96 4.80 4.57 -1.86 -3.33 114.58 118.39 2h3i h GLU 12 Ca 0.74 -0.68 0.18 0.00 -1.18 0.00 0.00 59.36 58.42 2h3i h GLU 12 Cb 2.25 0.25 -0.09 0.00 -0.16 0.00 0.00 28.75 31.01 2h3i h GLU 12 CO -0.35 1.30 0.61 1.25 -1.18 0.00 0.00 179.01 180.64 2h3i h LEU 13 N 0.11 0.66 -1.91 1.64 7.12 0.39 0.12 115.31 123.44 2h3i h LEU 13 Ca -0.28 0.06 0.30 0.00 0.13 0.00 0.00 57.88 58.10 2h3i h LEU 13 Cb 2.09 -0.06 -0.05 0.00 -0.53 0.00 0.00 40.66 42.12 2h3i h LEU 13 CO 0.21 0.27 0.75 -0.78 -0.13 0.00 0.00 178.44 178.76 2h3i h ASP 14 N 0.66 0.07 0.42 1.25 3.58 -1.46 0.34 116.42 121.28 2h3i h ASP 14 Ca 0.51 0.01 -0.31 0.00 0.42 0.00 0.00 57.03 57.66 2h3i h ASP 14 Cb 0.91 0.00 0.01 0.00 1.72 0.00 0.00 39.33 41.97 2h3i h ASP 14 CO -0.27 0.01 -1.48 0.11 -2.88 0.00 0.00 179.24 174.73 2h3i h LYS 15 N 0.06 0.33 -0.57 0.28 6.56 -0.97 -3.17 116.57 119.09 2h3i h LYS 15 Ca 0.52 -0.56 -0.10 0.00 -1.06 0.00 0.00 60.65 59.44 2h3i h LYS 15 Cb 1.95 0.21 -0.02 0.00 -0.57 0.00 0.00 32.23 33.80 2h3i h LYS 15 CO -0.05 1.23 -0.03 2.35 -2.06 0.00 0.00 179.45 180.89 2h3i h TRP 16 N 0.09 1.11 0.00 -1.35 2.91 -0.34 -2.15 115.95 116.22 2h3i h TRP 16 Ca -0.23 -0.20 0.00 0.00 1.13 0.00 0.00 58.89 59.59 2h3i h TRP 16 Cb 2.05 -0.29 0.00 0.00 -0.51 0.00 0.00 29.16 30.41 2h3i h TRP 16 CO 0.08 1.00 0.00 0.39 -1.03 0.00 0.00 178.44 178.88 2h3i n GLU 17 N -4.17 0.78 0.11 2.65 1.02 0.29 -2.90 120.64 118.42 2h3i n GLU 17 Ca 0.02 0.00 0.12 0.00 -0.02 0.00 0.00 57.16 57.29 2h3i n GLU 17 Cb 0.36 -1.50 0.03 0.00 -0.02 0.00 0.00 31.44 30.31 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 -6.38 3.49 3.11 -1.35 -3.37 116.57 112.06 2h3i h LYS 18 Ca 0.00 0.00 -0.54 0.00 -2.81 0.00 0.00 60.65 57.30 2h3i h LYS 18 Cb 0.09 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 2h3i h LYS 18 CO 0.00 0.00 0.32 0.42 -2.81 0.00 0.00 179.45 177.38 2h3i s ILE 19 N -3.33 4.82 0.86 2.00 1.09 -1.14 -4.93 121.20 120.57 2h3i s ILE 19 Ca 0.01 1.96 -0.12 0.00 -1.10 0.00 0.00 60.65 61.40 2h3i s ILE 19 Cb 0.09 -4.28 0.11 0.00 -1.06 0.00 0.00 42.46 37.33 2h3i s ILE 19 CO 0.77 0.21 1.14 -0.13 -0.10 0.00 0.00 174.94 176.82 2h3i s ARG 20 N 0.75 1.53 -0.27 2.79 0.52 -1.26 -1.03 118.95 121.98 2h3i s ARG 20 Ca 0.49 0.33 -0.12 0.00 -0.52 0.00 0.00 55.73 55.91 2h3i s ARG 20 Cb -0.21 -1.88 -0.13 0.00 0.52 0.00 0.00 34.95 33.25 2h3i s ARG 20 CO 0.27 -1.94 -0.32 1.28 0.02 0.00 0.00 175.30 174.61 2h3i n LEU 21 N -3.60 2.12 -4.89 2.53 4.77 0.67 -2.81 117.00 115.79 2h3i n LEU 21 Ca 0.07 0.27 -0.21 0.00 -0.03 0.00 0.00 56.01 56.11 2h3i n LEU 21 Cb 0.59 -0.84 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 2h3i n LEU 21 CO 0.57 0.63 -0.04 -0.13 -1.33 0.00 0.00 177.39 177.09 2h3i s ARG 22 N -2.51 2.85 -0.02 3.23 0.52 -1.26 -3.12 118.95 118.64 2h3i s ARG 22 Ca -0.38 -1.21 -0.24 0.00 -0.52 0.00 0.00 55.73 53.39 2h3i s ARG 22 Cb 0.14 -2.58 -0.17 0.00 0.52 0.00 0.00 34.95 32.85 2h3i s ARG 22 CO 0.51 0.09 1.11 -1.00 0.02 0.00 0.00 175.30 176.04 2h3i h PRO 23 N 1.15 -0.22 -0.54 3.54 0.13 -1.95 -3.31 132.00 130.80 2h3i h PRO 23 Ca -0.45 0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 64.52 2h3i h PRO 23 Cb 1.25 0.05 -0.10 0.00 0.13 0.00 0.00 31.00 32.33 2h3i h PRO 23 CO 0.57 0.18 0.14 0.41 -0.23 0.00 0.00 178.00 179.08 2h3i n GLY 24 N 0.16 4.15 0.00 1.56 0.00 -1.26 -4.95 105.19 104.84 2h3i n GLY 24 Ca -0.09 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.86 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 -0.58 2.45 0.00 -0.02 0.00 -1.25 -5.06 105.19 100.74 2h3i n GLY 25 Ca 0.35 -2.11 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 1.17 0.00 0.00 0.00 173.32 174.49 2h3i n LYS 26 N -0.58 0.33 -2.50 1.61 3.00 -1.26 -4.90 118.16 113.86 2h3i n LYS 26 Ca 0.00 -0.52 -0.36 0.00 -0.00 0.00 0.00 58.31 57.43 2h3i n LYS 26 Cb 0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 35.03 34.30 2h3i n LYS 26 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.40 177.55 2h3i s LYS 27 N -0.18 4.08 0.36 1.64 -0.14 -1.26 -4.94 119.74 119.30 2h3i s LYS 27 Ca 0.00 1.54 0.01 0.00 -1.36 0.00 0.00 55.97 56.17 2h3i s LYS 27 Cb 0.00 -2.50 0.01 0.00 -1.68 0.00 0.00 37.83 33.67 2h3i s LYS 27 CO 0.00 -0.22 0.12 1.04 -0.76 0.00 0.00 175.35 175.53 2h3i n GLN 28 N -0.19 1.06 -3.68 1.68 3.00 -1.26 -0.24 117.38 117.75 2h3i n GLN 28 Ca 0.06 -2.46 -0.34 0.00 -0.01 0.00 0.00 57.00 54.24 2h3i n GLN 28 Cb 0.49 0.50 -0.05 0.00 0.00 0.00 0.00 30.24 31.18 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 -2.09 3.56 0.12 1.08 2.02 -0.20 -4.55 117.35 117.29 2h3i s TYR 29 Ca 0.09 0.64 0.05 0.00 -0.37 0.00 0.00 57.07 57.48 2h3i s TYR 29 Cb -0.01 -2.05 -0.04 0.00 -0.40 0.00 0.00 41.96 39.47 2h3i s TYR 29 CO 0.06 0.55 -0.12 0.15 -1.57 0.00 0.00 175.55 174.62 2h3i s LYS 30 N -1.98 0.97 0.31 -0.62 3.01 -1.26 -3.99 119.74 116.17 2h3i s LYS 30 Ca 0.32 -1.25 0.05 0.00 -1.01 0.00 0.00 55.97 54.08 2h3i s LYS 30 Cb -0.13 -0.72 0.83 0.00 -1.01 0.00 0.00 37.83 36.79 2h3i s LYS 30 CO 0.19 0.12 1.59 1.25 0.51 0.00 0.00 175.35 179.01 2h3i h LEU 31 N 3.39 -0.23 -0.87 3.17 7.12 -1.98 0.33 115.31 126.25 2h3i h LEU 31 Ca -0.38 0.25 0.33 0.00 0.13 0.00 0.00 57.88 58.21 2h3i h LEU 31 Cb 1.19 0.39 -0.16 0.00 -0.53 0.00 0.00 40.66 41.56 2h3i h LEU 31 CO 0.54 -0.31 0.35 0.29 -0.13 0.00 0.00 178.44 179.17 2h3i n LYS 32 N -5.38 -0.06 -0.04 1.25 5.02 -1.26 0.92 118.16 118.61 2h3i n LYS 32 Ca 0.25 1.23 -0.14 0.00 -2.02 0.00 0.00 58.31 57.63 2h3i n LYS 32 Cb 0.82 -2.13 -0.09 0.00 -0.02 0.00 0.00 35.03 33.61 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 0.33 -0.98 2.13 3.86 -0.74 -0.23 115.15 119.52 2h3i h HIS 33 Ca 0.68 -0.12 0.19 0.00 -1.16 0.00 0.00 60.37 59.96 2h3i h HIS 33 Cb 1.72 -0.06 -0.09 0.00 1.06 0.00 0.00 27.41 30.03 2h3i h HIS 33 CO -0.13 0.77 0.61 0.82 0.86 0.00 0.00 177.93 180.86 2h3i h ILE 34 N -0.20 0.71 0.06 2.45 2.04 0.51 -1.09 117.51 122.00 2h3i h ILE 34 Ca 0.00 -0.23 -0.10 0.00 1.00 0.00 0.00 64.86 65.54 2h3i h ILE 34 Cb 0.75 -0.01 0.01 0.00 -0.74 0.00 0.00 36.82 36.83 2h3i h ILE 34 CO 0.04 0.12 -0.43 0.58 0.00 0.00 0.00 178.15 178.46 2h3i h VAL 35 N 0.66 1.61 -0.26 1.67 2.07 -1.31 -2.45 116.25 118.24 2h3i h VAL 35 Ca 0.54 -2.34 0.08 0.00 0.82 0.00 0.00 66.70 65.79 2h3i h VAL 35 Cb 0.97 3.16 -0.01 0.00 -1.52 0.00 0.00 31.29 33.89 2h3i h VAL 35 CO -0.31 0.64 0.40 -0.25 0.02 0.00 0.00 177.57 178.08 2h3i h TRP 36 N -0.59 0.00 0.00 1.57 7.01 -0.27 0.94 115.95 124.61 2h3i h TRP 36 Ca -0.07 0.00 -0.24 0.00 2.11 0.00 0.00 58.89 60.69 2h3i h TRP 36 Cb 1.30 0.00 -0.04 0.00 -2.10 0.00 0.00 29.16 28.32 2h3i h TRP 36 CO 0.22 0.00 -1.31 0.00 -2.79 0.00 0.00 178.44 174.56 2h3i n ALA 37 N -2.18 0.80 -0.19 2.65 0.00 -0.48 -3.97 120.51 117.13 2h3i n ALA 37 Ca 0.04 -0.51 0.07 0.00 0.00 0.00 0.00 53.44 53.04 2h3i n ALA 37 Cb 0.53 -0.54 0.36 0.00 0.00 0.00 0.00 19.45 19.80 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 0.66 0.56 0.00 4.64 -0.84 0.23 113.55 117.80 2h3i h SER 38 Ca -0.36 0.01 0.00 0.00 -0.47 0.00 0.00 61.79 60.97 2h3i h SER 38 Cb 1.31 -0.13 0.00 0.00 -0.31 0.00 0.00 62.40 63.27 2h3i h SER 38 CO -0.22 0.42 0.00 -1.14 -0.87 0.00 0.00 176.83 175.02 2h3i n ARG 39 N -4.49 0.05 0.00 4.77 0.63 0.25 -2.73 116.66 115.15 2h3i n ARG 39 Ca 0.11 0.30 -0.22 0.00 -0.92 0.00 0.00 57.85 57.13 2h3i n ARG 39 Cb 0.26 -1.60 -0.14 0.00 0.45 0.00 0.00 32.46 31.43 2h3i n ARG 39 CO 0.00 0.00 0.00 1.49 -2.51 0.00 0.00 177.63 176.61 2h3i h GLU 40 N 0.00 0.26 -0.70 -0.14 4.57 -0.68 -3.38 114.58 114.51 2h3i h GLU 40 Ca 0.00 -0.44 0.13 0.00 -1.18 0.00 0.00 59.36 57.87 2h3i h GLU 40 Cb 0.28 0.17 -0.09 0.00 -0.16 0.00 0.00 28.75 28.95 2h3i h GLU 40 CO 0.00 1.21 0.24 -0.07 -1.18 0.00 0.00 179.01 179.22 2h3i h LEU 41 N 0.00 0.19 -1.02 1.64 3.38 -1.28 0.15 115.31 118.38 2h3i h LEU 41 Ca -0.41 0.11 0.16 0.00 0.09 0.00 0.00 57.88 57.83 2h3i h LEU 41 Cb 1.99 0.11 -0.10 0.00 0.09 0.00 0.00 40.66 42.75 2h3i h LEU 41 CO 0.08 0.08 0.62 -0.33 0.09 0.00 0.00 178.44 178.98 2h3i h GLU 42 N 0.39 0.83 0.00 1.13 5.08 -1.56 0.30 114.58 120.75 2h3i h GLU 42 Ca 0.38 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.69 2h3i h GLU 42 Cb 0.56 -0.19 0.00 0.00 0.50 0.00 0.00 28.75 29.63 2h3i h GLU 42 CO -0.40 0.55 -0.28 -0.09 -1.00 0.00 0.00 179.01 177.79 2h3i h ARG 43 N 0.86 0.00 -0.85 2.33 9.65 -1.15 -3.24 114.38 121.98 2h3i h ARG 43 Ca 0.55 0.00 -0.12 0.00 -1.10 0.00 0.00 59.98 59.31 2h3i h ARG 43 Cb 0.73 0.00 -0.07 0.00 -1.39 0.00 0.00 29.97 29.24 2h3i h ARG 43 CO -0.33 0.00 0.15 1.19 2.80 0.00 0.00 179.97 183.78 2h3i n PHE 44 N -2.95 1.47 -1.64 2.20 3.01 0.66 -4.85 117.46 115.36 2h3i n PHE 44 Ca 0.03 -0.77 -0.18 0.00 1.01 0.00 0.00 57.45 57.54 2h3i n PHE 44 Cb 0.53 -0.47 -0.07 0.00 -0.01 0.00 0.00 39.48 39.46 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 0.04 -0.33 -2.85 4.37 0.00 -0.97 -4.94 120.51 115.82 2h3i n ALA 45 Ca 0.24 0.27 -0.33 0.00 0.00 0.00 0.00 53.44 53.62 2h3i n ALA 45 Cb 0.97 -1.81 -0.14 0.00 0.00 0.00 0.00 19.45 18.46 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 -2.56 3.06 0.16 0.00 1.01 0.71 -5.02 120.40 117.75 2h3i s VAL 46 Ca 0.00 -0.68 -0.31 0.00 0.00 0.00 0.00 61.98 60.99 2h3i s VAL 46 Cb 0.00 -2.25 -0.08 0.00 0.00 0.00 0.00 36.38 34.05 2h3i s VAL 46 CO 0.00 0.55 1.34 0.20 0.00 0.00 0.00 175.10 177.19 2h3i s ASN 47 N -0.06 6.87 0.00 3.32 -0.87 -1.26 -2.71 114.94 120.23 2h3i s ASN 47 Ca -0.03 2.36 0.15 0.00 -1.57 0.00 0.00 52.86 53.77 2h3i s ASN 47 Cb -0.14 -2.60 0.73 0.00 -0.02 0.00 0.00 41.25 39.22 2h3i s ASN 47 CO 0.04 -0.58 1.42 -0.81 -2.57 0.00 0.00 177.10 174.59 2h3i n PRO 48 N 3.23 0.18 -0.11 -0.60 -0.04 -1.26 -2.51 135.00 133.89 2h3i n PRO 48 Ca 0.08 0.16 0.06 0.00 -0.04 0.00 0.00 63.50 63.77 2h3i n PRO 48 Cb 0.43 -1.50 0.21 0.00 -0.04 0.00 0.00 33.50 32.60 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 0.09 0.08 0.55 0.00 -1.26 -3.66 105.19 100.97 2h3i n GLY 49 Ca 0.06 -0.29 -0.07 0.00 0.00 0.00 0.00 46.02 45.72 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 0.16 0.78 0.00 0.99 4.77 -1.05 -3.88 117.00 118.78 2h3i n LEU 50 Ca 0.11 0.37 0.08 0.00 -0.03 0.00 0.00 56.01 56.53 2h3i n LEU 50 Cb 0.23 0.19 0.36 0.00 -2.33 0.00 0.00 43.42 41.86 2h3i n LEU 50 CO 0.08 0.36 0.77 0.18 -1.33 0.00 0.00 177.39 177.44 2h3i n LEU 51 N -2.98 0.00 0.15 2.23 4.77 -1.24 -2.56 117.00 117.36 2h3i n LEU 51 Ca -0.17 0.49 -0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2h3i n LEU 51 Cb 1.03 -0.49 0.21 0.00 -2.33 0.00 0.00 43.42 41.84 2h3i n LEU 51 CO 0.44 -0.21 0.55 1.05 -1.33 0.00 0.00 177.39 177.89 2h3i h GLU 52 N 0.00 0.00 -6.71 3.23 4.11 -1.78 -3.44 114.58 110.00 2h3i h GLU 52 Ca 0.00 0.00 -0.70 0.00 0.07 0.00 0.00 59.36 58.73 2h3i h GLU 52 Cb 0.28 0.00 -0.26 0.00 0.50 0.00 0.00 28.75 29.27 2h3i h GLU 52 CO 0.00 0.56 -0.87 0.95 0.07 0.00 0.00 179.01 179.72 2h3i s THR 53 N -3.72 2.21 0.32 -1.06 -4.23 -1.06 -5.01 115.64 103.08 2h3i s THR 53 Ca -0.02 -1.34 0.03 0.00 -1.18 0.00 0.00 61.69 59.18 2h3i s THR 53 Cb 0.13 -1.86 0.29 0.00 1.34 0.00 0.00 72.50 72.40 2h3i s THR 53 CO 0.75 0.39 1.91 0.28 -0.54 0.00 0.00 174.62 177.41 2h3i h SER 54 N 4.84 0.83 -0.73 3.99 0.02 -1.85 -1.43 113.55 119.23 2h3i h SER 54 Ca -0.46 0.01 -0.07 0.00 -0.84 0.00 0.00 61.79 60.44 2h3i h SER 54 Cb 1.14 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.49 2h3i h SER 54 CO 0.44 0.52 0.20 -0.33 -1.14 0.00 0.00 176.83 176.52 2h3i h GLU 55 N 0.94 1.15 -0.82 3.45 5.08 -1.96 -2.88 114.58 119.55 2h3i h GLU 55 Ca 0.39 -0.26 0.09 0.00 -1.00 0.00 0.00 59.36 58.58 2h3i h GLU 55 Cb 0.30 -0.16 -0.07 0.00 0.50 0.00 0.00 28.75 29.32 2h3i h GLU 55 CO -0.16 1.00 0.46 0.78 -1.00 0.00 0.00 179.01 180.10 2h3i h GLY 56 N 1.10 1.26 1.12 -3.84 0.00 -1.33 -1.70 103.07 99.68 2h3i h GLY 56 Ca 0.23 -0.31 -0.07 0.00 0.00 0.00 0.00 47.33 47.18 2h3i h GLY 56 CO -0.00 0.13 0.13 0.00 0.00 0.00 0.00 176.54 176.79 2h3i h ARG 58 N 1.02 0.67 -0.02 0.00 2.43 -1.14 0.27 114.38 117.60 2h3i h ARG 58 Ca 0.21 -0.04 -0.18 0.00 -0.81 0.00 0.00 59.98 59.16 2h3i h ARG 58 Cb 0.41 -0.15 -0.01 0.00 -0.42 0.00 0.00 29.97 29.79 2h3i h ARG 58 CO 0.01 0.44 -0.79 1.96 -1.51 0.00 0.00 179.97 180.08 2h3i h GLN 59 N 0.69 0.20 0.36 0.20 4.20 -1.39 -2.98 115.11 116.39 2h3i h GLN 59 Ca 0.60 -0.19 -0.02 0.00 0.06 0.00 0.00 58.65 59.10 2h3i h GLN 59 Cb 1.03 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2h3i h GLN 59 CO -0.41 0.89 -0.17 0.82 -0.67 0.00 0.00 178.83 179.28 2h3i h ILE 60 N 0.12 0.54 -0.75 2.54 2.04 -0.38 -2.94 117.51 118.68 2h3i h ILE 60 Ca -0.03 -0.62 0.16 0.00 1.00 0.00 0.00 64.86 65.37 2h3i h ILE 60 Cb 1.37 0.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.20 2h3i h ILE 60 CO 0.12 0.10 0.51 -0.07 0.00 0.00 0.00 178.15 178.80 2h3i h LEU 61 N -0.89 0.35 -0.78 1.44 3.38 -0.97 -0.52 115.31 117.33 2h3i h LEU 61 Ca -0.05 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.89 2h3i h LEU 61 Cb 0.54 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2h3i h LEU 61 CO 0.08 0.18 0.28 1.23 0.09 0.00 0.00 178.44 180.30 2h3i h GLY 62 N 0.38 1.27 0.89 0.83 0.00 -1.46 0.41 103.07 105.39 2h3i h GLY 62 Ca 0.37 -0.72 -0.12 0.00 0.00 0.00 0.00 47.33 46.86 2h3i h GLY 62 CO -0.11 0.67 -0.37 1.46 0.00 0.00 0.00 176.54 178.19 2h3i h GLN 63 N 1.14 0.57 0.00 4.80 7.50 -0.95 -3.09 115.11 125.08 2h3i h GLN 63 Ca 0.26 -0.37 -0.00 0.00 0.50 0.00 0.00 58.65 59.04 2h3i h GLN 63 Cb 0.26 0.05 -0.00 0.00 0.05 0.00 0.00 27.48 27.83 2h3i h GLN 63 CO -0.02 0.98 -0.00 -0.07 -1.50 0.00 0.00 178.83 178.23 2h3i h LEU 64 N 0.22 0.00 0.17 1.46 3.38 -1.24 -3.31 115.31 115.99 2h3i h LEU 64 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 2h3i h LEU 64 Cb 0.97 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.69 2h3i h LEU 64 CO 0.08 0.00 -0.42 1.56 0.09 0.00 0.00 178.44 179.75 2h3i h GLN 65 N 0.00 -0.63 0.00 1.13 4.20 -0.09 0.26 115.11 119.98 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 0.73 0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.65 2h3i h GLN 65 CO 0.00 -0.42 0.00 -0.35 -0.67 0.00 0.00 178.83 177.39 2h3i n PRO 66 N -4.88 0.34 -0.00 1.46 -0.04 -1.25 -1.89 135.00 128.75 2h3i n PRO 66 Ca -0.08 0.08 0.08 0.00 -0.04 0.00 0.00 63.50 63.54 2h3i n PRO 66 Cb 0.34 -1.50 -0.10 0.00 -0.04 0.00 0.00 33.50 32.20 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 -1.15 0.84 0.17 3.54 7.64 -0.28 -4.41 113.62 119.97 2h3i n SER 67 Ca 0.09 -0.71 0.18 0.00 1.01 0.00 0.00 58.87 59.44 2h3i n SER 67 Cb 0.09 1.16 0.70 0.00 -1.01 0.00 0.00 64.21 65.15 2h3i n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3i h LEU 68 N 0.00 0.00 0.04 -3.43 3.38 0.17 0.73 115.31 116.19 2h3i h LEU 68 Ca 0.00 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.59 2h3i h LEU 68 Cb 0.47 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 2h3i h LEU 68 CO 0.00 0.00 -2.27 1.67 0.09 0.00 0.00 178.44 177.93 2h3i n GLN 69 N -3.30 0.67 0.12 1.13 7.27 -1.26 -4.60 117.38 117.41 2h3i n GLN 69 Ca 0.05 0.22 -0.10 0.00 0.07 0.00 0.00 57.00 57.24 2h3i n GLN 69 Cb 0.64 -1.59 -0.06 0.00 2.41 0.00 0.00 30.24 31.63 2h3i n GLN 69 CO 0.00 0.00 0.00 1.79 0.07 0.00 0.00 177.06 178.92 2h3i h THR 70 N -0.14 0.50 -3.56 1.69 1.35 -1.32 -3.46 112.91 107.98 2h3i h THR 70 Ca -0.53 -0.84 -0.53 0.00 -0.55 0.00 0.00 66.41 63.96 2h3i h THR 70 Cb 1.88 0.82 0.21 0.00 -1.73 0.00 0.00 68.15 69.33 2h3i h THR 70 CO -0.08 0.12 -0.42 0.61 -0.25 0.00 0.00 175.52 175.50 2h3i n GLY 71 N 0.36 -1.70 0.00 5.82 0.00 0.24 -5.02 105.19 104.90 2h3i n GLY 71 Ca -0.08 -0.75 0.00 0.00 0.00 0.00 0.00 46.02 45.20 2h3i n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h3i n SER 72 N -1.92 0.00 0.24 1.61 3.41 -1.26 -4.80 113.62 110.90 2h3i n SER 72 Ca 0.08 -0.51 0.13 0.00 -0.26 0.00 0.00 58.87 58.30 2h3i n SER 72 Cb 0.53 0.00 0.77 0.00 -0.26 0.00 0.00 64.21 65.26 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 0.00 0.00 -0.35 4.33 4.81 -1.96 -0.98 114.58 120.43 2h3i h GLU 73 Ca 0.00 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.18 2h3i h GLU 73 Cb 0.00 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 2h3i h GLU 73 CO 0.00 0.00 -0.02 1.49 -0.73 0.00 0.00 179.01 179.75 2h3i h GLU 74 N 0.00 0.55 0.00 1.92 4.57 -2.00 -1.94 114.58 117.68 2h3i h GLU 74 Ca 0.04 -0.13 -0.06 0.00 -1.18 0.00 0.00 59.36 58.03 2h3i h GLU 74 Cb 0.17 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.68 2h3i h GLU 74 CO -0.00 0.59 -0.27 1.25 -1.18 0.00 0.00 179.01 179.40 2h3i h LEU 75 N 0.52 0.00 0.09 1.64 6.46 -1.49 -3.03 115.31 119.51 2h3i h LEU 75 Ca 0.11 0.00 -0.29 0.00 -0.12 0.00 0.00 57.88 57.58 2h3i h LEU 75 Cb 0.36 0.00 0.03 0.00 -0.73 0.00 0.00 40.66 40.32 2h3i h LEU 75 CO 0.01 0.27 -1.19 0.03 -0.62 0.00 0.00 178.44 176.94 2h3i h ARG 76 N 0.00 0.65 -0.06 1.25 3.08 -1.31 -3.10 114.38 114.90 2h3i h ARG 76 Ca -0.00 -0.82 -0.04 0.00 0.07 0.00 0.00 59.98 59.19 2h3i h ARG 76 Cb 0.83 0.26 -0.01 0.00 0.08 0.00 0.00 29.97 31.13 2h3i h ARG 76 CO 0.04 1.37 -0.16 0.66 -1.07 0.00 0.00 179.97 180.81 2h3i h SER 77 N 0.30 0.08 0.28 7.04 4.64 -1.36 -2.71 113.55 121.82 2h3i h SER 77 Ca -0.18 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.12 2h3i h SER 77 Cb 1.86 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2h3i h SER 77 CO 0.23 0.25 -0.13 -0.07 -0.87 0.00 0.00 176.83 176.24 2h3i h LEU 78 N 0.08 -0.32 -0.95 5.97 -0.00 -1.56 -2.64 115.31 115.89 2h3i h LEU 78 Ca 0.02 -0.21 0.19 0.00 -0.00 0.00 0.00 57.88 57.88 2h3i h LEU 78 Cb 0.33 0.08 -0.11 0.00 -0.00 0.00 0.00 40.66 40.97 2h3i h LEU 78 CO 0.02 0.11 0.54 0.22 -0.00 0.00 0.00 178.44 179.33 2h3i h TYR 79 N -0.83 0.93 0.00 1.13 3.20 -1.45 0.51 116.97 120.46 2h3i h TYR 79 Ca -0.04 0.04 -0.06 0.00 3.14 0.00 0.00 58.73 61.80 2h3i h TYR 79 Cb 0.51 -0.27 -0.01 0.00 1.54 0.00 0.00 36.73 38.51 2h3i h TYR 79 CO 0.04 0.16 -0.30 -0.91 -1.64 0.00 0.00 178.16 175.51 2h3i h ASN 80 N 0.65 0.00 0.00 -2.11 4.21 -1.48 -1.78 115.58 115.07 2h3i h ASN 80 Ca 0.56 0.00 0.00 0.00 1.21 0.00 0.00 56.30 58.07 2h3i h ASN 80 Cb 0.91 0.00 0.00 0.00 -1.12 0.00 0.00 38.32 38.11 2h3i h ASN 80 CO -0.41 0.30 -0.14 0.74 -1.29 0.00 0.00 177.43 176.63 2h3i h THR 81 N 0.00 0.00 -1.05 2.81 2.02 0.18 -3.29 112.91 113.58 2h3i h THR 81 Ca -0.00 -0.85 0.27 0.00 0.77 0.00 0.00 66.41 66.60 2h3i h THR 81 Cb 0.55 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.88 2h3i h THR 81 CO 0.04 0.00 0.69 0.40 0.37 0.00 0.00 175.52 177.02 2h3i h ILE 82 N -0.85 0.52 -0.93 3.11 2.04 -0.43 0.29 117.51 121.26 2h3i h ILE 82 Ca 0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2h3i h ILE 82 Cb 0.14 0.18 -0.04 0.00 -0.74 0.00 0.00 36.82 36.35 2h3i h ILE 82 CO 0.00 0.06 0.54 0.00 0.00 0.00 0.00 178.15 178.75 2h3i h ALA 83 N 1.58 1.21 -0.15 1.87 0.00 -1.47 -1.77 119.26 120.53 2h3i h ALA 83 Ca 0.57 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 55.27 2h3i h ALA 83 Cb 1.62 -0.37 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 2h3i h ALA 83 CO -0.23 0.66 -0.35 0.28 0.00 0.00 0.00 179.25 179.62 2h3i h VAL 84 N 1.29 1.29 0.46 0.00 2.07 -0.50 -3.03 116.25 117.82 2h3i h VAL 84 Ca 0.33 -1.40 -0.02 0.00 0.82 0.00 0.00 66.70 66.42 2h3i h VAL 84 Cb -0.03 1.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.31 2h3i h VAL 84 CO -0.06 0.43 -0.22 0.25 0.02 0.00 0.00 177.57 177.99 2h3i h LEU 85 N 0.27 -0.52 -0.98 2.57 5.85 -1.01 -2.56 115.31 118.93 2h3i h LEU 85 Ca 0.03 -0.08 0.28 0.00 0.84 0.00 0.00 57.88 58.95 2h3i h LEU 85 Cb 0.75 0.14 -0.14 0.00 0.37 0.00 0.00 40.66 41.78 2h3i h LEU 85 CO 0.06 -0.13 0.52 0.22 -0.34 0.00 0.00 178.44 178.76 2h3i h TYR 86 N -1.01 0.85 -0.54 1.25 3.20 -1.38 0.57 116.97 119.92 2h3i h TYR 86 Ca -0.06 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.75 2h3i h TYR 86 Cb 0.58 -0.22 -0.02 0.00 1.54 0.00 0.00 36.73 38.61 2h3i h TYR 86 CO 0.02 -0.11 -0.03 0.00 -1.64 0.00 0.00 178.16 176.39 2h3i h VAL 88 N 0.86 1.24 0.00 0.00 2.07 0.52 0.27 116.25 121.21 2h3i h VAL 88 Ca 0.15 -1.05 -0.15 0.00 0.82 0.00 0.00 66.70 66.48 2h3i h VAL 88 Cb 0.55 1.07 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 2h3i h VAL 88 CO 0.03 0.35 -0.71 0.45 0.02 0.00 0.00 177.57 177.71 2h3i h HIS 89 N 0.57 0.00 -0.30 1.57 -0.00 -0.94 -3.15 115.15 112.90 2h3i h HIS 89 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2h3i h HIS 89 Cb 0.51 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2h3i h HIS 89 CO 0.02 0.71 0.00 1.04 -0.00 0.00 0.00 177.93 179.70 2h3i n GLN 90 N -3.36 2.24 -1.26 2.45 3.00 -0.52 -4.86 117.38 115.07 2h3i n GLN 90 Ca 0.01 -1.29 -0.09 0.00 -0.01 0.00 0.00 57.00 55.61 2h3i n GLN 90 Cb 0.79 -1.54 -0.04 0.00 0.00 0.00 0.00 30.24 29.45 2h3i n GLN 90 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.06 174.93 2h3i n ARG 91 N 0.38 -1.35 -3.29 -1.09 3.00 -1.12 -4.96 116.66 108.23 2h3i n ARG 91 Ca 0.12 0.77 -0.38 0.00 -0.00 0.00 0.00 57.85 58.36 2h3i n ARG 91 Cb 0.47 -4.97 -0.06 0.00 0.00 0.00 0.00 32.46 27.90 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 -1.97 5.17 -0.33 5.15 1.01 0.93 -5.01 121.20 126.13 2h3i s ILE 92 Ca 0.00 1.01 -0.11 0.00 0.00 0.00 0.00 60.65 61.55 2h3i s ILE 92 Cb 0.00 -3.84 -0.00 0.00 0.01 0.00 0.00 42.46 38.63 2h3i s ILE 92 CO 0.00 0.32 0.18 -0.62 0.00 0.00 0.00 174.94 174.83 2h3i s ASP 93 N 0.60 5.69 0.70 3.58 -1.08 -1.26 -3.84 116.67 121.06 2h3i s ASP 93 Ca 0.27 -0.62 -0.04 0.00 -0.52 0.00 0.00 52.55 51.64 2h3i s ASP 93 Cb -0.15 -2.03 0.09 0.00 -1.46 0.00 0.00 42.92 39.36 2h3i s ASP 93 CO 0.11 -0.25 0.98 0.68 0.52 0.00 0.00 175.17 177.21 2h3i s VAL 94 N 1.62 2.29 -0.08 1.11 -7.23 -1.26 -5.03 120.40 111.82 2h3i s VAL 94 Ca 0.04 -0.46 0.19 0.00 -1.81 0.00 0.00 61.98 59.95 2h3i s VAL 94 Cb -0.18 -2.83 -0.28 0.00 0.56 0.00 0.00 36.38 33.65 2h3i s VAL 94 CO 0.07 0.00 0.31 0.29 -0.31 0.00 0.00 175.10 175.46 2h3i n LYS 95 N -2.84 0.73 0.00 4.82 5.02 -1.26 -4.79 118.16 119.84 2h3i n LYS 95 Ca 0.11 -0.12 0.00 0.00 -2.02 0.00 0.00 58.31 56.28 2h3i n LYS 95 Cb 0.60 -1.48 0.00 0.00 -0.02 0.00 0.00 35.03 34.13 2h3i n LYS 95 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 2h3i n ASP 96 N -2.38 0.00 0.00 4.39 5.68 -1.26 -4.09 116.55 118.89 2h3i n ASP 96 Ca -0.13 0.00 0.01 0.00 -0.50 0.00 0.00 54.79 54.17 2h3i n ASP 96 Cb 0.73 0.00 0.05 0.00 -1.14 0.00 0.00 41.12 40.76 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 -0.07 1.70 -0.07 2.12 -1.04 -1.12 -1.53 114.28 114.26 2h3i n THR 97 Ca 0.00 0.42 -0.06 0.00 -2.04 0.00 0.00 64.05 62.37 2h3i n THR 97 Cb 0.00 -1.39 -0.02 0.00 -1.82 0.00 0.00 70.33 67.10 2h3i n THR 97 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2h3i n LYS 98 N -1.46 0.46 0.30 -2.82 3.00 -1.26 -3.37 118.16 113.01 2h3i n LYS 98 Ca 0.01 0.52 0.16 0.00 -0.00 0.00 0.00 58.31 58.99 2h3i n LYS 98 Cb 0.02 -1.69 0.92 0.00 0.00 0.00 0.00 35.03 34.29 2h3i n LYS 98 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 2h3i h GLU 99 N -1.00 0.00 0.14 1.64 4.57 -1.88 -1.73 114.58 116.31 2h3i h GLU 99 Ca -0.03 0.00 -0.01 0.00 -1.18 0.00 0.00 59.36 58.14 2h3i h GLU 99 Cb 0.59 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.18 2h3i h GLU 99 CO -0.02 0.02 -0.07 0.00 -1.18 0.00 0.00 179.01 177.77 2h3i h ALA 100 N 1.98 -0.18 -0.51 2.92 0.00 -1.46 -1.34 119.26 120.67 2h3i h ALA 100 Ca -0.00 -0.23 0.03 0.00 0.00 0.00 0.00 54.91 54.71 2h3i h ALA 100 Cb 0.06 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 17.88 2h3i h ALA 100 CO 0.00 -0.25 0.29 1.25 0.00 0.00 0.00 179.25 180.54 2h3i h LEU 101 N -0.88 0.45 -0.68 0.00 7.12 -1.50 -2.27 115.31 117.55 2h3i h LEU 101 Ca -0.02 0.01 -0.09 0.00 0.13 0.00 0.00 57.88 57.92 2h3i h LEU 101 Cb 0.53 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 40.56 2h3i h LEU 101 CO 0.03 0.32 0.05 -0.78 -0.13 0.00 0.00 178.44 177.92 2h3i h ASP 102 N 0.57 1.03 -0.25 1.25 1.82 -1.43 -0.12 116.42 119.30 2h3i h ASP 102 Ca 0.21 -0.27 0.07 0.00 -0.39 0.00 0.00 57.03 56.66 2h3i h ASP 102 Cb 0.07 -0.28 -0.01 0.00 0.68 0.00 0.00 39.33 39.79 2h3i h ASP 102 CO -0.12 1.06 0.20 0.11 -1.61 0.00 0.00 179.24 178.88 2h3i h LYS 103 N 0.99 0.00 0.08 0.28 1.79 -0.67 0.28 116.57 119.31 2h3i h LYS 103 Ca 0.18 0.00 -0.35 0.00 -2.18 0.00 0.00 60.65 58.30 2h3i h LYS 103 Cb 0.50 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.12 2h3i h LYS 103 CO 0.02 0.00 -2.02 -0.89 -1.08 0.00 0.00 179.45 175.48 2h3i n ILE 104 N -4.22 1.69 0.09 1.86 5.41 -0.95 -3.55 119.36 119.69 2h3i n ILE 104 Ca 0.03 -0.68 -0.01 0.00 1.00 0.00 0.00 62.75 63.08 2h3i n ILE 104 Cb 0.35 -1.49 0.26 0.00 -0.71 0.00 0.00 39.64 38.05 2h3i n ILE 104 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 176.55 176.47 2h3i h GLU 105 N 0.04 0.27 0.00 0.38 4.57 -0.33 -2.65 114.58 116.86 2h3i h GLU 105 Ca -0.42 -0.11 -0.13 0.00 -1.18 0.00 0.00 59.36 57.52 2h3i h GLU 105 Cb 2.02 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 30.58 2h3i h GLU 105 CO 0.06 0.58 -0.61 1.49 -1.18 0.00 0.00 179.01 179.35 2h3i h GLU 106 N 0.24 0.00 -0.06 1.92 4.22 -0.64 -3.15 114.58 117.11 2h3i h GLU 106 Ca 0.03 0.00 -0.13 0.00 0.08 0.00 0.00 59.36 59.34 2h3i h GLU 106 Cb 0.70 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2h3i h GLU 106 CO 0.05 0.61 -0.56 1.49 -2.18 0.00 0.00 179.01 178.42 2h3i h GLU 107 N 0.00 0.20 0.00 1.92 4.81 -1.53 -2.93 114.58 117.05 2h3i h GLU 107 Ca -0.01 -0.13 -0.11 0.00 -0.13 0.00 0.00 59.36 58.99 2h3i h GLU 107 Cb 1.27 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.65 2h3i h GLU 107 CO 0.08 0.71 -0.51 0.37 -0.73 0.00 0.00 179.01 178.92 2h3i h GLN 108 N 0.15 0.00 -0.09 1.92 -0.00 -1.46 -2.78 115.11 112.84 2h3i h GLN 108 Ca -0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 58.65 58.49 2h3i h GLN 108 Cb 1.04 0.00 -0.01 0.00 0.00 0.00 0.00 27.48 28.51 2h3i h GLN 108 CO 0.08 0.51 -0.63 -0.91 0.00 0.00 0.00 178.83 177.89 2h3i h ASN 109 N 0.00 0.40 0.47 -0.69 4.21 -1.48 -2.33 115.58 116.16 2h3i h ASN 109 Ca -0.01 -0.24 -0.18 0.00 1.21 0.00 0.00 56.30 57.09 2h3i h ASN 109 Cb 1.05 -0.12 -0.01 0.00 -1.12 0.00 0.00 38.32 38.12 2h3i h ASN 109 CO 0.07 0.93 -0.77 0.11 -1.29 0.00 0.00 177.43 176.48 2h3i h LYS 110 N 0.25 0.23 0.00 0.81 1.57 -1.43 -3.12 116.57 114.88 2h3i h LYS 110 Ca -0.01 -0.21 -0.11 0.00 -1.87 0.00 0.00 60.65 58.45 2h3i h LYS 110 Cb 1.17 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 33.51 2h3i h LYS 110 CO 0.10 0.89 -0.54 1.03 -0.57 0.00 0.00 179.45 180.36 2h3i h SER 111 N 0.15 0.00 -0.37 0.86 0.87 -1.43 -3.08 113.55 110.55 2h3i h SER 111 Ca -0.03 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2h3i h SER 111 Cb 1.35 0.00 -0.02 0.00 -0.44 0.00 0.00 62.40 63.29 2h3i h SER 111 CO 0.12 0.54 0.22 0.50 -0.53 0.00 0.00 176.83 177.68 2h3i h LYS 112 N 0.00 0.50 -0.29 2.24 3.64 -1.35 0.66 116.57 121.97 2h3i h LYS 112 Ca -0.01 -0.05 -0.05 0.00 -1.27 0.00 0.00 60.65 59.28 2h3i h LYS 112 Cb 1.16 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.87 2h3i h LYS 112 CO 0.07 0.38 -0.03 0.87 -2.27 0.00 0.00 179.45 178.47 2h3i h LYS 113 N 0.48 0.52 0.00 1.90 1.57 -1.61 -2.11 116.57 117.33 2h3i h LYS 113 Ca 0.13 -0.18 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 2h3i h LYS 113 Cb 0.01 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.27 2h3i h LYS 113 CO -0.02 0.70 -0.14 -0.22 -0.57 0.00 0.00 179.45 179.20 2h3i h LYS 114 N 0.30 0.00 0.00 3.15 3.64 -1.43 -0.79 116.57 121.45 2h3i h LYS 114 Ca 0.08 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.30 2h3i h LYS 114 Cb 0.48 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.28 2h3i h LYS 114 CO 0.02 0.14 -0.77 0.00 -2.27 0.00 0.00 179.45 176.57 2h3i h ALA 115 N 1.86 0.58 -0.43 5.00 0.00 -0.59 -3.26 119.26 122.42 2h3i h ALA 115 Ca -0.00 -0.70 -0.24 0.00 0.00 0.00 0.00 54.91 53.97 2h3i h ALA 115 Cb 0.30 -0.12 -0.14 0.00 0.00 0.00 0.00 17.79 17.82 2h3i h ALA 115 CO 0.02 0.96 -0.04 0.94 0.00 0.00 0.00 179.25 181.12 2h3i n GLN 116 N -3.40 1.95 -0.04 0.00 7.27 -0.73 -4.49 117.38 117.96 2h3i n GLN 116 Ca 0.00 -3.23 -0.03 0.00 0.07 0.00 0.00 57.00 53.81 2h3i n GLN 116 Cb 0.81 -1.88 -0.07 0.00 2.41 0.00 0.00 30.24 31.51 2h3i n GLN 116 CO 0.00 0.00 0.00 0.94 0.07 0.00 0.00 177.06 178.07 2h3i n GLN 117 N -1.11 2.37 0.25 3.69 7.27 -0.38 -4.54 117.38 124.93 2h3i n GLN 117 Ca 0.37 -0.01 0.11 0.00 0.07 0.00 0.00 57.00 57.53 2h3i n GLN 117 Cb 1.07 -1.21 0.67 0.00 2.41 0.00 0.00 30.24 33.17 2h3i n GLN 117 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2h3i h ALA 118 N 0.46 1.39 -0.44 1.69 0.00 -1.79 -2.40 119.26 118.17 2h3i h ALA 118 Ca -0.20 -0.13 0.13 0.00 0.00 0.00 0.00 54.91 54.71 2h3i h ALA 118 Cb 1.39 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 19.14 2h3i h ALA 118 CO 0.01 0.17 0.36 0.00 0.00 0.00 0.00 179.25 179.79 2h3i h ALA 119 N 1.86 2.30 -0.17 0.00 0.00 -1.86 -1.28 119.26 120.11 2h3i h ALA 119 Ca -0.00 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2h3i h ALA 119 Cb 0.33 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 2h3i h ALA 119 CO 0.02 -0.59 0.04 0.00 0.00 0.00 0.00 179.25 178.72 2h3i h ALA 120 N 1.70 0.23 -0.14 0.00 0.00 -1.74 -1.66 119.26 117.65 2h3i h ALA 120 Ca 0.21 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 55.00 2h3i h ALA 120 Cb 0.92 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 2h3i h ALA 120 CO -0.00 -0.12 0.11 -0.44 0.00 0.00 0.00 179.25 178.80 2h3i h ASP 121 N 0.08 0.00 0.07 0.00 3.32 -1.40 -2.00 116.42 116.49 2h3i h ASP 121 Ca 0.05 0.00 -0.24 0.00 0.02 0.00 0.00 57.03 56.86 2h3i h ASP 121 Cb 0.29 0.00 0.02 0.00 0.22 0.00 0.00 39.33 39.86 2h3i h ASP 121 CO 0.00 0.00 -0.98 0.74 -1.72 0.00 0.00 179.24 177.28 2h3i h THR 122 N 0.00 1.35 -3.73 0.35 2.02 -1.34 -3.46 112.91 108.10 2h3i h THR 122 Ca 0.07 -2.33 -0.48 0.00 0.77 0.00 0.00 66.41 64.44 2h3i h THR 122 Cb 0.28 2.69 0.20 0.00 -1.74 0.00 0.00 68.15 69.59 2h3i h THR 122 CO -0.00 0.70 0.11 -0.83 0.37 0.00 0.00 175.52 175.87 2h3i s GLY 123 N -4.32 1.61 -0.04 2.16 0.00 -0.65 -4.93 107.32 101.15 2h3i s GLY 123 Ca -0.11 0.20 -0.30 0.00 0.00 0.00 0.00 44.72 44.51 2h3i s GLY 123 CO 0.89 0.78 1.21 0.21 0.00 0.00 0.00 173.10 176.19 2h3i s ASN 124 N -2.60 7.04 -0.76 1.64 2.47 -1.26 -4.98 114.94 116.49 2h3i s ASN 124 Ca 0.68 1.85 -0.04 0.00 0.42 0.00 0.00 52.86 55.77 2h3i s ASN 124 Cb -0.24 -2.56 0.19 0.00 -1.45 0.00 0.00 41.25 37.19 2h3i s ASN 124 CO 0.62 -0.58 0.62 0.20 -3.72 0.00 0.00 177.10 174.23 2h3i s ASN 125 N 1.47 5.72 -0.31 -4.21 -0.87 -1.26 -5.01 114.94 110.46 2h3i s ASN 125 Ca 0.57 -3.18 0.04 0.00 -1.57 0.00 0.00 52.86 48.71 2h3i s ASN 125 Cb -0.25 -1.92 0.09 0.00 -0.02 0.00 0.00 41.25 39.14 2h3i s ASN 125 CO 0.23 -0.32 0.00 -0.94 -2.57 0.00 0.00 177.10 173.50 2h3i s SER 126 N 0.54 4.66 0.71 -1.22 1.04 -1.26 -5.11 113.70 113.06 2h3i s SER 126 Ca 0.21 -1.91 -0.04 0.00 0.48 0.00 0.00 55.95 54.68 2h3i s SER 126 Cb -0.14 -1.59 0.09 0.00 0.10 0.00 0.00 66.02 64.48 2h3i s SER 126 CO -0.07 -0.32 1.00 -1.10 0.98 0.00 0.00 173.24 173.72 2h3i s GLN 127 N 0.97 1.92 -0.29 4.02 -0.21 -1.26 -5.12 119.66 119.70 2h3i s GLN 127 Ca 0.05 -0.64 -0.22 0.00 0.02 0.00 0.00 55.36 54.57 2h3i s GLN 127 Cb -0.19 -2.24 0.15 0.00 1.00 0.00 0.00 33.01 31.72 2h3i s GLN 127 CO -0.07 -1.34 1.10 0.54 -2.12 0.00 0.00 175.29 173.41 2h3i s VAL 128 N -3.19 0.00 -0.12 1.09 0.11 -1.26 -5.17 120.40 111.85 2h3i s VAL 128 Ca 0.63 0.00 -0.10 0.00 -2.93 0.00 0.00 61.98 59.58 2h3i s VAL 128 Cb -0.08 -1.00 0.03 0.00 -1.53 0.00 0.00 36.38 33.80 2h3i s VAL 128 CO 0.44 0.00 0.31 -0.44 -3.33 0.00 0.00 175.10 172.08 2h3i s SER 129 N 0.57 -0.33 0.60 3.54 0.01 -1.26 -5.17 113.70 111.66 2h3i s SER 129 Ca -0.00 0.63 0.06 0.00 1.31 0.00 0.00 55.95 57.95 2h3i s SER 129 Cb -0.04 0.62 0.09 0.00 0.21 0.00 0.00 66.02 66.89 2h3i s SER 129 CO -0.11 -0.12 0.82 0.00 0.41 0.00 0.00 173.24 174.25 2h3i s GLN 130 N 0.35 2.19 0.29 12.44 -2.07 -1.26 -5.14 119.66 126.46 2h3i s GLN 130 Ca -0.01 -1.43 -0.21 0.00 -1.82 0.00 0.00 55.36 51.89 2h3i s GLN 130 Cb -0.03 -2.57 0.02 0.00 -1.09 0.00 0.00 33.01 29.34 2h3i s GLN 130 CO -0.01 -0.96 0.72 1.21 -1.32 0.00 0.00 175.29 174.93 2h3i s ASN 131 N -4.65 -0.24 0.00 12.60 3.84 -1.26 -5.38 114.94 119.85 2h3i s ASN 131 Ca 0.62 -0.64 0.00 0.00 0.21 0.00 0.00 52.86 53.05 2h3i s ASN 131 Cb -0.06 0.73 0.00 0.00 -0.55 0.00 0.00 41.25 41.37 2h3i s ASN 131 CO 0.40 -1.37 0.39 -1.22 -2.79 0.00 0.00 177.10 172.51