#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2h3v s ALA 3 N 0.00 3.66 -0.07 4.61 0.00 -1.26 -5.14 121.76 123.56 2h3v s ALA 3 Ca 0.00 -1.80 -0.02 0.00 0.00 0.00 0.00 51.96 50.14 2h3v s ALA 3 Cb 0.00 -0.22 0.03 0.00 0.00 0.00 0.00 23.12 22.93 2h3v s ALA 3 CO 0.00 -0.16 0.04 1.03 0.00 0.00 0.00 175.76 176.67 2h3v s ARG 4 N -3.89 0.17 -0.18 0.00 0.52 -1.26 -4.96 118.95 109.34 2h3v s ARG 4 Ca 0.33 0.23 -0.12 0.00 -0.52 0.00 0.00 55.73 55.65 2h3v s ARG 4 Cb 0.04 -0.83 0.06 0.00 0.52 0.00 0.00 34.95 34.74 2h3v s ARG 4 CO 0.18 -0.37 0.46 0.00 0.02 0.00 0.00 175.30 175.60 2h3v s ALA 5 N 2.10 -1.18 0.08 2.13 0.00 -1.26 -5.12 121.76 118.50 2h3v s ALA 5 Ca 0.04 1.57 0.00 0.00 0.00 0.00 0.00 51.96 53.57 2h3v s ALA 5 Cb -0.13 -0.94 0.00 0.00 0.00 0.00 0.00 23.12 22.06 2h3v s ALA 5 CO -0.04 -0.27 0.00 0.45 0.00 0.00 0.00 175.76 175.90 2h3v n SER 6 N 3.84 -5.57 -0.15 0.00 2.88 -1.26 -4.01 113.62 109.35 2h3v n SER 6 Ca -0.20 0.36 -0.11 0.00 -1.33 0.00 0.00 58.87 57.59 2h3v n SER 6 Cb 0.56 -1.02 -0.01 0.00 -0.75 0.00 0.00 64.21 62.99 2h3v n SER 6 CO 0.00 0.00 0.00 0.58 -1.23 0.00 0.00 175.04 174.39 2h3v h VAL 7 N -0.31 1.27 -3.37 2.46 2.07 -1.94 -3.43 116.25 113.01 2h3v h VAL 7 Ca 0.01 -1.21 -0.66 0.00 0.82 0.00 0.00 66.70 65.66 2h3v h VAL 7 Cb 0.30 1.15 -0.27 0.00 -1.52 0.00 0.00 31.29 30.96 2h3v h VAL 7 CO 0.00 0.41 -0.76 -0.76 0.02 0.00 0.00 177.57 176.48 2h3v s LEU 8 N -9.25 2.72 0.00 2.57 1.43 -1.26 -4.68 118.68 110.22 2h3v s LEU 8 Ca -0.12 -0.32 -0.06 0.00 -1.03 0.00 0.00 54.13 52.60 2h3v s LEU 8 Cb 0.11 -1.61 0.09 0.00 0.03 0.00 0.00 46.19 44.81 2h3v s LEU 8 CO 0.83 0.18 0.38 -1.54 0.23 0.00 0.00 176.35 176.43 2h3v n SER 9 N 3.43 -0.77 0.16 2.29 3.41 -1.26 -4.57 113.62 116.32 2h3v n SER 9 Ca -0.18 -0.90 -0.14 0.00 -0.26 0.00 0.00 58.87 57.39 2h3v n SER 9 Cb 0.53 -0.32 -0.08 0.00 -0.26 0.00 0.00 64.21 64.08 2h3v n SER 9 CO 0.00 0.00 0.00 1.23 -0.16 0.00 0.00 175.04 176.11 2h3v h GLY 10 N -0.93 -0.36 1.21 5.00 0.00 -1.93 0.24 103.07 106.30 2h3v h GLY 10 Ca -0.13 0.14 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2h3v h GLY 10 CO 0.09 -0.13 0.32 -1.33 0.00 0.00 0.00 176.54 175.49 2h3v h GLY 11 N -0.34 1.10 1.21 4.60 0.00 -2.00 -2.68 103.07 104.95 2h3v h GLY 11 Ca -0.03 -0.54 -0.17 0.00 0.00 0.00 0.00 47.33 46.59 2h3v h GLY 11 CO 0.05 0.51 -0.47 0.83 0.00 0.00 0.00 176.54 177.47 2h3v h GLU 12 N 1.01 0.85 -0.72 4.80 5.08 -1.86 -3.15 114.58 120.59 2h3v h GLU 12 Ca 0.24 -0.49 0.06 0.00 -1.00 0.00 0.00 59.36 58.18 2h3v h GLU 12 Cb 0.13 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.36 2h3v h GLU 12 CO -0.03 1.12 0.41 1.25 -1.00 0.00 0.00 179.01 180.77 2h3v h LEU 13 N 0.67 0.62 0.06 1.33 5.85 -0.22 0.17 115.31 123.79 2h3v h LEU 13 Ca 0.04 0.03 0.02 0.00 0.84 0.00 0.00 57.88 58.81 2h3v h LEU 13 Cb 1.05 -0.10 -0.04 0.00 0.37 0.00 0.00 40.66 41.95 2h3v h LEU 13 CO 0.11 0.40 -0.27 -0.78 -0.34 0.00 0.00 178.44 177.55 2h3v h ASP 14 N 0.75 -0.77 -0.66 1.25 1.82 -1.44 -0.48 116.42 116.88 2h3v h ASP 14 Ca 0.32 0.10 -0.07 0.00 -0.39 0.00 0.00 57.03 56.99 2h3v h ASP 14 Cb 0.19 0.31 -0.03 0.00 0.68 0.00 0.00 39.33 40.48 2h3v h ASP 14 CO -0.18 -0.34 0.14 0.50 -1.61 0.00 0.00 179.24 177.74 2h3v h LYS 15 N -0.44 1.07 -0.04 0.28 1.63 -1.48 -2.90 116.57 114.68 2h3v h LYS 15 Ca 0.05 -0.27 0.03 0.00 -0.85 0.00 0.00 60.65 59.61 2h3v h LYS 15 Cb 0.50 -0.13 -0.05 0.00 -0.60 0.00 0.00 32.23 31.95 2h3v h LYS 15 CO -0.19 0.97 -0.23 2.35 -3.45 0.00 0.00 179.45 178.89 2h3v h TRP 16 N 0.99 -0.62 -0.07 1.91 2.91 -0.20 0.96 115.95 121.83 2h3v h TRP 16 Ca 0.20 0.02 0.02 0.00 1.13 0.00 0.00 58.89 60.27 2h3v h TRP 16 Cb 0.40 0.28 -0.00 0.00 -0.51 0.00 0.00 29.16 29.32 2h3v h TRP 16 CO 0.03 -0.32 0.09 0.93 -1.03 0.00 0.00 178.44 178.14 2h3v h GLU 17 N -0.34 0.00 0.00 2.65 5.08 -1.03 -2.34 114.58 118.60 2h3v h GLU 17 Ca 0.07 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.42 2h3v h GLU 17 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2h3v h GLU 17 CO -0.24 0.00 -0.05 0.87 -1.00 0.00 0.00 179.01 178.59 2h3v h LYS 18 N 0.00 0.03 -6.54 2.33 1.79 -0.79 -3.32 116.57 110.06 2h3v h LYS 18 Ca 0.03 -0.03 -0.60 0.00 -2.18 0.00 0.00 60.65 57.87 2h3v h LYS 18 Cb 0.21 0.01 0.11 0.00 -1.58 0.00 0.00 32.23 30.98 2h3v h LYS 18 CO -0.00 0.90 0.27 -0.89 -1.08 0.00 0.00 179.45 178.65 2h3v n ILE 19 N -4.63 1.83 -4.04 1.86 5.41 0.13 -4.65 119.36 115.27 2h3v n ILE 19 Ca -0.10 -0.46 -0.30 0.00 1.00 0.00 0.00 62.75 62.89 2h3v n ILE 19 Cb 0.45 -1.16 -0.06 0.00 -0.71 0.00 0.00 39.64 38.16 2h3v n ILE 19 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2h3v s ARG 20 N -1.45 2.93 0.19 0.38 3.03 -0.58 -0.13 118.95 123.32 2h3v s ARG 20 Ca 0.60 -0.68 -0.10 0.00 2.03 0.00 0.00 55.73 57.57 2h3v s ARG 20 Cb -0.68 -2.75 0.12 0.00 -1.03 0.00 0.00 34.95 30.62 2h3v s ARG 20 CO 0.59 0.56 1.78 -0.07 -1.13 0.00 0.00 175.30 177.04 2h3v h LEU 21 N 3.20 0.92 -8.67 -1.89 3.38 -1.79 -2.52 115.31 107.94 2h3v h LEU 21 Ca -0.47 -0.13 -0.46 0.00 0.09 0.00 0.00 57.88 56.91 2h3v h LEU 21 Cb 1.17 -0.24 -0.19 0.00 0.09 0.00 0.00 40.66 41.49 2h3v h LEU 21 CO 0.66 0.80 -0.77 -0.13 0.09 0.00 0.00 178.44 179.09 2h3v s ARG 22 N -5.70 1.10 0.26 1.13 3.00 -1.26 -3.57 118.95 113.90 2h3v s ARG 22 Ca -0.13 -1.26 0.04 0.00 0.00 0.00 0.00 55.73 54.38 2h3v s ARG 22 Cb 0.14 -1.08 0.35 0.00 0.00 0.00 0.00 34.95 34.36 2h3v s ARG 22 CO 0.80 0.22 1.64 -1.00 0.00 0.00 0.00 175.30 176.97 2h3v h PRO 23 N 3.54 0.33 -0.63 3.54 0.13 -1.95 -3.19 132.00 133.77 2h3v h PRO 23 Ca -0.41 -0.17 -0.42 0.00 -0.87 0.00 0.00 66.00 64.13 2h3v h PRO 23 Cb 1.20 0.01 -0.26 0.00 0.13 0.00 0.00 31.00 32.07 2h3v h PRO 23 CO 0.49 0.72 -0.13 0.41 -0.23 0.00 0.00 178.00 179.25 2h3v n GLY 24 N -0.05 5.62 0.00 1.56 0.00 -1.26 -5.01 105.19 106.05 2h3v n GLY 24 Ca -0.02 -1.94 0.00 0.00 0.00 0.00 0.00 46.02 44.06 2h3v n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2h3v n GLY 25 N -0.94 3.69 1.15 -0.02 0.00 -1.21 -5.07 105.19 102.79 2h3v n GLY 25 Ca 0.43 -2.16 0.02 0.00 0.00 0.00 0.00 46.02 44.32 2h3v n GLY 25 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2h3v n LYS 26 N -0.32 0.00 -3.89 1.61 4.81 -1.26 -4.99 118.16 114.12 2h3v n LYS 26 Ca 0.00 -1.63 -0.30 0.00 -0.87 0.00 0.00 58.31 55.51 2h3v n LYS 26 Cb 0.00 -0.15 -0.15 0.00 0.02 0.00 0.00 35.03 34.75 2h3v n LYS 26 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2h3v s LYS 27 N 0.00 1.23 1.20 1.64 2.20 -1.26 -5.12 119.74 119.63 2h3v s LYS 27 Ca 0.22 -1.33 -0.17 0.00 -0.36 0.00 0.00 55.97 54.32 2h3v s LYS 27 Cb 0.25 -2.59 0.28 0.00 -1.51 0.00 0.00 37.83 34.26 2h3v s LYS 27 CO -0.11 -0.86 1.05 -0.65 -0.36 0.00 0.00 175.35 174.42 2h3v s GLN 28 N 1.30 -1.21 0.35 4.03 1.11 -1.26 -2.93 119.66 121.04 2h3v s GLN 28 Ca 0.06 0.25 -0.19 0.00 0.01 0.00 0.00 55.36 55.49 2h3v s GLN 28 Cb -0.18 -1.57 -0.10 0.00 -1.01 0.00 0.00 33.01 30.15 2h3v s GLN 28 CO -0.14 -3.77 0.84 0.71 0.01 0.00 0.00 175.29 172.94 2h3v s TYR 29 N -2.74 3.43 0.17 0.91 2.02 0.82 -4.65 117.35 117.30 2h3v s TYR 29 Ca 0.69 1.47 -0.07 0.00 -0.37 0.00 0.00 57.07 58.79 2h3v s TYR 29 Cb -0.15 -2.72 -0.02 0.00 -0.40 0.00 0.00 41.96 38.67 2h3v s TYR 29 CO 0.58 0.06 0.23 0.21 -1.57 0.00 0.00 175.55 175.07 2h3v s LYS 30 N -2.80 1.13 0.50 -0.62 2.36 -1.26 -4.14 119.74 114.91 2h3v s LYS 30 Ca 0.55 -1.28 0.25 0.00 -2.55 0.00 0.00 55.97 52.94 2h3v s LYS 30 Cb -0.12 0.34 1.34 0.00 -1.05 0.00 0.00 37.83 38.34 2h3v s LYS 30 CO 0.17 -0.40 1.93 1.25 1.55 0.00 0.00 175.35 179.85 2h3v h LEU 31 N 2.61 0.11 -1.33 5.43 5.85 -1.98 0.12 115.31 126.12 2h3v h LEU 31 Ca -0.32 0.01 0.21 0.00 0.84 0.00 0.00 57.88 58.61 2h3v h LEU 31 Cb 1.22 -0.01 -0.08 0.00 0.37 0.00 0.00 40.66 42.16 2h3v h LEU 31 CO 0.50 0.05 0.61 0.11 -0.34 0.00 0.00 178.44 179.38 2h3v h LYS 32 N 0.11 0.51 0.04 1.25 1.57 -1.99 0.11 116.57 118.17 2h3v h LYS 32 Ca 0.36 -0.03 -0.26 0.00 -1.87 0.00 0.00 60.65 58.85 2h3v h LYS 32 Cb 1.25 -0.12 0.01 0.00 0.08 0.00 0.00 32.23 33.46 2h3v h LYS 32 CO -0.04 0.34 -1.07 0.45 -0.57 0.00 0.00 179.45 178.56 2h3v h HIS 33 N 0.53 0.78 -0.63 -1.35 3.86 -1.38 -0.78 115.15 116.18 2h3v h HIS 33 Ca 0.52 -0.45 -0.07 0.00 -1.16 0.00 0.00 60.37 59.21 2h3v h HIS 33 Cb 1.12 -0.08 -0.03 0.00 1.06 0.00 0.00 27.41 29.49 2h3v h HIS 33 CO -0.00 1.29 0.12 0.82 0.86 0.00 0.00 177.93 181.02 2h3v h ILE 34 N 0.26 1.25 0.17 2.45 2.04 -1.03 -2.76 117.51 119.89 2h3v h ILE 34 Ca -0.12 -0.97 -0.30 0.00 1.00 0.00 0.00 64.86 64.47 2h3v h ILE 34 Cb 1.73 0.64 0.02 0.00 -0.74 0.00 0.00 36.82 38.47 2h3v h ILE 34 CO 0.19 0.36 -1.31 0.58 0.00 0.00 0.00 178.15 177.97 2h3v h VAL 35 N 0.95 1.39 -0.54 1.67 2.07 -1.25 -2.84 116.25 117.70 2h3v h VAL 35 Ca 0.20 -2.82 0.11 0.00 0.82 0.00 0.00 66.70 65.01 2h3v h VAL 35 Cb 0.39 2.92 -0.03 0.00 -1.52 0.00 0.00 31.29 33.05 2h3v h VAL 35 CO 0.01 0.83 0.37 -0.25 0.02 0.00 0.00 177.57 178.55 2h3v h TRP 36 N 0.14 0.26 0.13 1.57 7.01 -1.02 -1.56 115.95 122.49 2h3v h TRP 36 Ca -0.18 0.01 -0.25 0.00 2.11 0.00 0.00 58.89 60.57 2h3v h TRP 36 Cb 2.02 -0.08 0.01 0.00 -2.10 0.00 0.00 29.16 29.00 2h3v h TRP 36 CO 0.09 0.12 -1.22 0.00 -2.79 0.00 0.00 178.44 174.65 2h3v h ALA 37 N 1.73 0.06 -0.81 2.65 0.00 -1.54 -3.21 119.26 118.14 2h3v h ALA 37 Ca 0.25 -0.94 0.15 0.00 0.00 0.00 0.00 54.91 54.37 2h3v h ALA 37 Cb 0.68 0.33 -0.06 0.00 0.00 0.00 0.00 17.79 18.74 2h3v h ALA 37 CO -0.05 0.66 0.53 0.66 0.00 0.00 0.00 179.25 181.06 2h3v h SER 38 N -0.29 0.48 -0.23 0.00 4.64 -1.14 0.21 113.55 117.22 2h3v h SER 38 Ca -0.25 0.03 -0.19 0.00 -0.47 0.00 0.00 61.79 60.91 2h3v h SER 38 Cb 1.75 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.78 2h3v h SER 38 CO 0.11 0.24 -0.62 -0.09 -0.87 0.00 0.00 176.83 175.60 2h3v h ARG 39 N 0.51 0.82 0.00 4.77 2.43 -1.42 -2.94 114.38 118.55 2h3v h ARG 39 Ca 0.40 -0.58 -0.08 0.00 -0.81 0.00 0.00 59.98 58.91 2h3v h ARG 39 Cb 0.82 0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 30.45 2h3v h ARG 39 CO -0.15 1.20 -0.39 1.49 -1.51 0.00 0.00 179.97 180.61 2h3v h GLU 40 N 0.57 0.00 0.34 0.20 4.57 -1.13 -3.15 114.58 115.99 2h3v h GLU 40 Ca -0.01 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.15 2h3v h GLU 40 Cb 1.24 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.83 2h3v h GLU 40 CO 0.13 0.39 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.12 2h3v h LEU 41 N 0.00 -0.39 -2.04 1.64 3.38 -0.59 -2.95 115.31 114.36 2h3v h LEU 41 Ca -0.00 -0.16 0.13 0.00 0.09 0.00 0.00 57.88 57.94 2h3v h LEU 41 Cb 0.89 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 2h3v h LEU 41 CO 0.05 -0.02 0.38 -0.33 0.09 0.00 0.00 178.44 178.61 2h3v h GLU 42 N -0.82 0.00 -0.01 1.13 4.39 -0.68 0.26 114.58 118.86 2h3v h GLU 42 Ca -0.05 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.57 2h3v h GLU 42 Cb 0.52 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.16 2h3v h GLU 42 CO 0.08 0.00 -0.37 -0.09 -1.16 0.00 0.00 179.01 177.47 2h3v h ARG 43 N 0.00 0.03 -0.93 2.33 2.43 -1.48 -2.52 114.38 114.25 2h3v h ARG 43 Ca 0.21 -0.01 -0.33 0.00 -0.81 0.00 0.00 59.98 59.04 2h3v h ARG 43 Cb 0.96 -0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.32 2h3v h ARG 43 CO -0.00 0.39 0.41 1.19 -1.51 0.00 0.00 179.97 180.45 2h3v n PHE 44 N -4.10 2.30 -1.79 2.20 3.72 0.84 -4.85 117.46 115.79 2h3v n PHE 44 Ca -0.02 -1.37 -0.17 0.00 -0.05 0.00 0.00 57.45 55.85 2h3v n PHE 44 Cb 0.41 -0.73 -0.05 0.00 -0.94 0.00 0.00 39.48 38.17 2h3v n PHE 44 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2h3v n ALA 45 N -0.53 -0.34 -3.96 4.37 0.00 -0.95 -4.97 120.51 114.13 2h3v n ALA 45 Ca 0.43 0.22 -0.33 0.00 0.00 0.00 0.00 53.44 53.76 2h3v n ALA 45 Cb 1.35 -1.80 -0.15 0.00 0.00 0.00 0.00 19.45 18.85 2h3v n ALA 45 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 2h3v s VAL 46 N -2.70 2.39 0.47 0.00 1.01 -0.69 -4.99 120.40 115.90 2h3v s VAL 46 Ca 0.00 -1.21 -0.25 0.00 0.00 0.00 0.00 61.98 60.52 2h3v s VAL 46 Cb 0.00 -2.22 -0.08 0.00 0.00 0.00 0.00 36.38 34.08 2h3v s VAL 46 CO 0.00 0.22 1.42 0.59 0.00 0.00 0.00 175.10 177.33 2h3v n ASN 47 N 4.57 3.20 0.17 3.32 3.02 -1.26 -0.60 115.26 127.68 2h3v n ASN 47 Ca -0.17 1.09 0.13 0.00 -0.03 0.00 0.00 54.58 55.61 2h3v n ASN 47 Cb 0.46 -1.60 0.56 0.00 -0.61 0.00 0.00 39.78 38.59 2h3v n ASN 47 CO 0.00 0.00 0.00 1.55 -2.62 0.00 0.00 177.26 176.19 2h3v h PRO 48 N 2.13 0.00 0.00 3.52 0.13 -1.92 -2.98 132.00 132.89 2h3v h PRO 48 Ca -0.51 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.60 2h3v h PRO 48 Cb 1.28 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2h3v h PRO 48 CO 0.60 0.00 -0.12 0.78 -0.23 0.00 0.00 178.00 179.03 2h3v h GLY 49 N 2.14 0.00 1.47 1.56 0.00 -1.95 -2.19 103.07 104.10 2h3v h GLY 49 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 47.33 47.39 2h3v h GLY 49 CO 0.00 0.00 0.21 1.41 0.00 0.00 0.00 176.54 178.16 2h3v h LEU 50 N 0.00 0.00 -0.21 3.11 3.38 -1.87 0.17 115.31 119.89 2h3v h LEU 50 Ca -0.00 0.00 -0.13 0.00 0.09 0.00 0.00 57.88 57.84 2h3v h LEU 50 Cb 0.27 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 2h3v h LEU 50 CO 0.02 0.00 -0.61 -0.07 0.09 0.00 0.00 178.44 177.86 2h3v h LEU 51 N 0.00 0.00 0.00 1.67 3.38 -1.64 -0.42 115.31 118.31 2h3v h LEU 51 Ca 0.09 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.06 2h3v h LEU 51 Cb 0.51 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.26 2h3v h LEU 51 CO -0.00 0.61 0.00 1.21 0.09 0.00 0.00 178.44 180.35 2h3v n GLU 52 N -3.34 0.30 -4.82 1.13 2.13 0.57 -4.67 120.64 111.94 2h3v n GLU 52 Ca 0.01 0.06 -0.27 0.00 0.66 0.00 0.00 57.16 57.62 2h3v n GLU 52 Cb 0.74 -1.50 -0.17 0.00 0.27 0.00 0.00 31.44 30.78 2h3v n GLU 52 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 2h3v s THR 53 N -2.63 1.48 0.58 6.31 -4.23 -1.16 -4.99 115.64 110.99 2h3v s THR 53 Ca 0.21 -0.68 0.28 0.00 -1.18 0.00 0.00 61.69 60.32 2h3v s THR 53 Cb 0.16 -1.31 0.37 0.00 1.34 0.00 0.00 72.50 73.06 2h3v s THR 53 CO 0.38 0.43 2.03 -1.28 -0.54 0.00 0.00 174.62 175.64 2h3v h SER 54 N 6.88 0.00 -0.01 3.99 0.87 -1.83 -1.21 113.55 122.24 2h3v h SER 54 Ca -0.26 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.21 2h3v h SER 54 Cb 1.21 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.17 2h3v h SER 54 CO 0.47 0.00 -0.34 -0.08 -0.53 0.00 0.00 176.83 176.36 2h3v h GLU 55 N 0.00 0.24 -0.37 2.24 4.22 -1.95 -3.22 114.58 115.75 2h3v h GLU 55 Ca 0.14 -0.25 0.04 0.00 0.08 0.00 0.00 59.36 59.38 2h3v h GLU 55 Cb 0.74 0.07 -0.04 0.00 0.50 0.00 0.00 28.75 30.02 2h3v h GLU 55 CO -0.00 0.96 0.14 0.78 -2.18 0.00 0.00 179.01 178.71 2h3v h GLY 56 N -0.38 0.47 0.22 1.92 0.00 -1.25 -2.50 103.07 101.55 2h3v h GLY 56 Ca -0.04 -0.08 0.10 0.00 0.00 0.00 0.00 47.33 47.31 2h3v h GLY 56 CO 0.07 0.04 0.10 0.00 0.00 0.00 0.00 176.54 176.74 2h3v h ARG 58 N 0.23 1.05 -0.38 0.00 2.43 -1.46 0.60 114.38 116.85 2h3v h ARG 58 Ca 0.29 -0.06 -0.11 0.00 -0.81 0.00 0.00 59.98 59.29 2h3v h ARG 58 Cb 0.42 -0.24 -0.01 0.00 -0.42 0.00 0.00 29.97 29.72 2h3v h ARG 58 CO -0.39 0.69 -0.21 0.37 -1.51 0.00 0.00 179.97 178.92 2h3v h GLN 59 N 1.08 0.73 -0.03 0.20 4.15 -0.78 -2.28 115.11 118.19 2h3v h GLN 59 Ca 0.47 -0.29 -0.01 0.00 0.77 0.00 0.00 58.65 59.59 2h3v h GLN 59 Cb 0.35 -0.04 -0.00 0.00 0.21 0.00 0.00 27.48 28.00 2h3v h GLN 59 CO -0.22 0.89 -0.02 0.82 -1.93 0.00 0.00 178.83 178.36 2h3v h ILE 60 N 0.64 1.37 0.00 2.39 2.04 0.01 -3.01 117.51 120.95 2h3v h ILE 60 Ca 0.09 -1.12 -0.00 0.00 1.00 0.00 0.00 64.86 64.83 2h3v h ILE 60 Cb 0.71 2.06 -0.00 0.00 -0.74 0.00 0.00 36.82 38.85 2h3v h ILE 60 CO 0.05 0.30 -0.01 -0.07 0.00 0.00 0.00 178.15 178.43 2h3v h LEU 61 N -0.39 0.00 -1.31 1.44 3.38 -0.93 -0.91 115.31 116.59 2h3v h LEU 61 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 2h3v h LEU 61 Cb 0.49 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2h3v h LEU 61 CO 0.01 0.01 -0.29 1.23 0.09 0.00 0.00 178.44 179.49 2h3v h GLY 62 N 0.04 0.00 1.00 0.83 0.00 -1.27 0.24 103.07 103.92 2h3v h GLY 62 Ca -0.00 0.00 -0.30 0.00 0.00 0.00 0.00 47.33 47.03 2h3v h GLY 62 CO 0.00 0.00 -1.70 -1.61 0.00 0.00 0.00 176.54 173.23 2h3v h GLN 63 N 0.00 0.05 0.00 4.80 4.15 -1.19 -3.36 115.11 119.56 2h3v h GLN 63 Ca -0.00 -0.08 -0.14 0.00 0.77 0.00 0.00 58.65 59.20 2h3v h GLN 63 Cb 0.66 0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.36 2h3v h GLN 63 CO 0.04 0.65 -0.86 -0.07 -1.93 0.00 0.00 178.83 176.65 2h3v h LEU 64 N 0.01 0.00 0.18 -2.39 3.38 -1.32 -3.24 115.31 111.93 2h3v h LEU 64 Ca -0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 2h3v h LEU 64 Cb 2.00 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.72 2h3v h LEU 64 CO 0.09 0.57 -0.44 1.56 0.09 0.00 0.00 178.44 180.31 2h3v h GLN 65 N 0.00 -0.66 0.00 1.13 4.20 -0.66 -0.92 115.11 118.20 2h3v h GLN 65 Ca -0.06 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.69 2h3v h GLN 65 Cb 1.49 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.41 2h3v h GLN 65 CO 0.06 -0.44 0.00 -1.00 -0.67 0.00 0.00 178.83 176.79 2h3v h PRO 66 N -0.68 0.00 -0.81 1.46 0.13 -1.74 -2.72 132.00 127.64 2h3v h PRO 66 Ca -0.02 0.00 -0.31 0.00 -0.87 0.00 0.00 66.00 64.80 2h3v h PRO 66 Cb 0.66 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.60 2h3v h PRO 66 CO -0.19 0.00 0.38 0.43 -0.23 0.00 0.00 178.00 178.39 2h3v n SER 67 N -2.81 4.41 0.10 1.44 7.64 -0.72 -4.39 113.62 119.29 2h3v n SER 67 Ca 0.01 -3.37 -0.15 0.00 1.01 0.00 0.00 58.87 56.37 2h3v n SER 67 Cb 0.27 -0.77 -0.13 0.00 -1.01 0.00 0.00 64.21 62.57 2h3v n SER 67 CO 0.00 0.00 0.00 -0.07 -3.01 0.00 0.00 175.04 171.96 2h3v h LEU 68 N 2.07 0.40 0.16 -3.43 3.38 -0.86 0.64 115.31 117.67 2h3v h LEU 68 Ca 0.38 -0.43 -0.27 0.00 0.09 0.00 0.00 57.88 57.66 2h3v h LEU 68 Cb 2.49 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 43.12 2h3v h LEU 68 CO 0.84 1.32 -1.27 -0.61 0.09 0.00 0.00 178.44 178.82 2h3v h GLN 69 N 0.08 0.34 0.00 1.13 4.15 -1.83 -3.34 115.11 115.64 2h3v h GLN 69 Ca -0.12 -0.58 -0.14 0.00 0.77 0.00 0.00 58.65 58.58 2h3v h GLN 69 Cb 1.94 0.22 -0.02 0.00 0.21 0.00 0.00 27.48 29.82 2h3v h GLN 69 CO 0.20 1.28 -0.66 1.79 -1.93 0.00 0.00 178.83 179.51 2h3v h THR 70 N -0.19 1.11 -3.81 2.39 1.35 -1.82 -3.46 112.91 108.48 2h3v h THR 70 Ca -0.25 -2.58 -0.48 0.00 -0.55 0.00 0.00 66.41 62.56 2h3v h THR 70 Cb 1.84 2.55 0.20 0.00 -1.73 0.00 0.00 68.15 71.01 2h3v h THR 70 CO 0.15 0.63 0.13 -0.83 -0.25 0.00 0.00 175.52 175.35 2h3v s GLY 71 N -4.54 1.62 0.28 5.82 0.00 0.22 -5.05 107.32 105.68 2h3v s GLY 71 Ca 0.03 0.27 0.04 0.00 0.00 0.00 0.00 44.72 45.06 2h3v s GLY 71 CO 0.77 0.82 0.30 -1.14 0.00 0.00 0.00 173.10 173.85 2h3v n SER 72 N -4.55 1.47 -0.13 1.64 3.41 -1.26 -4.90 113.62 109.30 2h3v n SER 72 Ca 0.08 -1.86 0.26 0.00 -0.26 0.00 0.00 58.87 57.09 2h3v n SER 72 Cb 0.53 -0.12 0.71 0.00 -0.26 0.00 0.00 64.21 65.08 2h3v n SER 72 CO 0.00 0.00 0.00 1.05 -0.16 0.00 0.00 175.04 175.93 2h3v h GLU 73 N 0.00 0.01 0.10 4.33 9.09 -1.98 -0.89 114.58 125.23 2h3v h GLU 73 Ca -0.16 -0.00 -0.00 0.00 0.05 0.00 0.00 59.36 59.25 2h3v h GLU 73 Cb 0.63 -0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.73 2h3v h GLU 73 CO 0.23 0.00 -0.05 0.93 0.05 0.00 0.00 179.01 180.18 2h3v h GLU 74 N 0.01 -0.13 -0.77 1.06 5.08 -2.00 -2.80 114.58 115.02 2h3v h GLU 74 Ca 0.38 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.79 2h3v h GLU 74 Cb 1.50 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 30.73 2h3v h GLU 74 CO -0.01 0.28 0.48 1.25 -1.00 0.00 0.00 179.01 180.01 2h3v h LEU 75 N -0.58 0.77 0.08 1.33 6.46 -1.56 -2.52 115.31 119.28 2h3v h LEU 75 Ca -0.01 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.78 2h3v h LEU 75 Cb 0.47 -0.16 -0.04 0.00 -0.73 0.00 0.00 40.66 40.21 2h3v h LEU 75 CO 0.02 0.52 -0.27 -0.09 -0.62 0.00 0.00 178.44 178.00 2h3v h ARG 76 N 0.91 -0.44 -0.94 1.25 2.43 -1.32 -1.80 114.38 114.47 2h3v h ARG 76 Ca 0.32 0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.67 2h3v h ARG 76 Cb 0.08 0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 29.63 2h3v h ARG 76 CO -0.14 -0.29 0.55 0.77 -1.51 0.00 0.00 179.97 179.36 2h3v h SER 77 N -0.45 0.73 0.59 -3.80 0.02 -1.21 -2.06 113.55 107.37 2h3v h SER 77 Ca 0.04 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.05 2h3v h SER 77 Cb 0.50 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 62.98 2h3v h SER 77 CO -0.18 0.32 -0.35 -0.07 -1.14 0.00 0.00 176.83 175.40 2h3v h LEU 78 N 0.78 -0.89 -1.84 5.07 -0.00 -0.94 -1.39 115.31 116.10 2h3v h LEU 78 Ca 0.51 0.05 0.23 0.00 -0.00 0.00 0.00 57.88 58.67 2h3v h LEU 78 Cb 0.69 0.26 -0.04 0.00 -0.00 0.00 0.00 40.66 41.56 2h3v h LEU 78 CO -0.34 -0.56 0.59 0.22 -0.00 0.00 0.00 178.44 178.35 2h3v h TYR 79 N -0.89 0.17 0.33 1.13 3.20 -0.75 0.25 116.97 120.41 2h3v h TYR 79 Ca -0.07 0.01 -0.02 0.00 3.14 0.00 0.00 58.73 61.79 2h3v h TYR 79 Cb 0.72 -0.05 0.00 0.00 1.54 0.00 0.00 36.73 38.94 2h3v h TYR 79 CO -0.09 0.04 -0.16 -0.91 -1.64 0.00 0.00 178.16 175.40 2h3v h ASN 80 N 0.13 -0.38 0.10 -2.11 2.35 -0.74 -2.34 115.58 112.60 2h3v h ASN 80 Ca 0.41 -0.17 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 2h3v h ASN 80 Cb 1.43 0.10 0.00 0.00 0.05 0.00 0.00 38.32 39.90 2h3v h ASN 80 CO -0.06 0.05 -0.05 0.74 -1.65 0.00 0.00 177.43 176.46 2h3v h THR 81 N -0.92 0.97 -0.28 2.81 2.02 -0.39 -2.26 112.91 114.86 2h3v h THR 81 Ca -0.05 -0.26 0.08 0.00 0.77 0.00 0.00 66.41 66.96 2h3v h THR 81 Cb 0.52 1.13 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 2h3v h THR 81 CO 0.08 0.06 0.29 0.40 0.37 0.00 0.00 175.52 176.72 2h3v h ILE 82 N -0.26 0.46 0.33 3.11 2.04 -0.65 -1.29 117.51 121.25 2h3v h ILE 82 Ca -0.01 0.00 -0.02 0.00 1.00 0.00 0.00 64.86 65.83 2h3v h ILE 82 Cb 0.21 0.77 0.00 0.00 -0.74 0.00 0.00 36.82 37.06 2h3v h ILE 82 CO 0.02 0.00 -0.16 0.00 0.00 0.00 0.00 178.15 178.01 2h3v h ALA 83 N 1.67 -0.45 -0.89 1.87 0.00 -0.85 -1.45 119.26 119.17 2h3v h ALA 83 Ca 0.13 -0.12 0.13 0.00 0.00 0.00 0.00 54.91 55.05 2h3v h ALA 83 Cb 0.71 0.17 -0.07 0.00 0.00 0.00 0.00 17.79 18.61 2h3v h ALA 83 CO -0.00 -0.43 0.57 0.28 0.00 0.00 0.00 179.25 179.67 2h3v h VAL 84 N -1.10 0.88 0.05 0.00 2.07 -1.02 -0.99 116.25 116.14 2h3v h VAL 84 Ca -0.05 -0.26 -0.00 0.00 0.82 0.00 0.00 66.70 67.21 2h3v h VAL 84 Cb 0.38 0.06 0.00 0.00 -1.52 0.00 0.00 31.29 30.21 2h3v h VAL 84 CO 0.08 0.14 -0.02 0.25 0.02 0.00 0.00 177.57 178.03 2h3v h LEU 85 N 0.76 -0.06 -0.34 2.57 6.46 -1.33 -3.06 115.31 120.31 2h3v h LEU 85 Ca 0.43 -0.41 0.07 0.00 -0.12 0.00 0.00 57.88 57.85 2h3v h LEU 85 Cb 0.60 0.02 -0.06 0.00 -0.73 0.00 0.00 40.66 40.49 2h3v h LEU 85 CO -0.20 0.39 -0.05 0.22 -0.62 0.00 0.00 178.44 178.18 2h3v h TYR 86 N -0.52 -0.12 -0.87 1.25 3.20 -0.66 -0.15 116.97 119.10 2h3v h TYR 86 Ca -0.01 0.03 0.21 0.00 3.14 0.00 0.00 58.73 62.10 2h3v h TYR 86 Cb 0.46 0.11 -0.06 0.00 1.54 0.00 0.00 36.73 38.78 2h3v h TYR 86 CO 0.08 -0.12 0.59 0.00 -1.64 0.00 0.00 178.16 177.07 2h3v h VAL 88 N 0.29 1.30 -0.12 0.00 2.07 -0.93 -1.73 116.25 117.13 2h3v h VAL 88 Ca 0.44 -1.51 -0.12 0.00 0.82 0.00 0.00 66.70 66.33 2h3v h VAL 88 Cb 1.26 1.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 2h3v h VAL 88 CO -0.13 0.48 -0.47 0.45 0.02 0.00 0.00 177.57 177.93 2h3v h HIS 89 N 0.45 0.36 0.00 1.57 -0.00 -0.45 -3.37 115.15 113.71 2h3v h HIS 89 Ca 0.04 -0.11 0.00 0.00 -0.00 0.00 0.00 60.37 60.30 2h3v h HIS 89 Cb 0.91 -0.08 0.00 0.00 -0.00 0.00 0.00 27.41 28.24 2h3v h HIS 89 CO 0.07 0.72 0.00 1.04 -0.00 0.00 0.00 177.93 179.76 2h3v n GLN 90 N -3.98 0.00 0.00 2.45 1.13 -0.20 -4.90 117.38 111.88 2h3v n GLN 90 Ca -0.02 0.28 0.00 0.00 -1.94 0.00 0.00 57.00 55.33 2h3v n GLN 90 Cb 0.53 -0.81 0.00 0.00 0.11 0.00 0.00 30.24 30.07 2h3v n GLN 90 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 2h3v n ARG 91 N -1.35 0.00 -1.66 -1.09 0.63 -0.71 -5.10 116.66 107.38 2h3v n ARG 91 Ca 0.00 0.00 -0.51 0.00 -0.92 0.00 0.00 57.85 56.42 2h3v n ARG 91 Cb 0.00 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.86 2h3v n ARG 91 CO 0.00 0.00 0.00 -0.89 -2.51 0.00 0.00 177.63 174.23 2h3v n ILE 92 N -0.35 0.19 -2.67 5.15 -0.00 -0.87 -4.88 119.36 115.93 2h3v n ILE 92 Ca 0.00 -0.03 -0.32 0.00 -0.00 0.00 0.00 62.75 62.40 2h3v n ILE 92 Cb 0.00 -1.34 -0.01 0.00 -0.00 0.00 0.00 39.64 38.29 2h3v n ILE 92 CO 0.00 0.00 0.00 0.47 -0.00 0.00 0.00 176.55 177.02 2h3v n ASP 93 N 4.27 5.52 -4.62 4.38 8.00 -1.26 -3.68 116.55 129.16 2h3v n ASP 93 Ca 0.21 -3.71 -0.37 0.00 0.71 0.00 0.00 54.79 51.62 2h3v n ASP 93 Cb 0.23 -0.73 0.06 0.00 -0.02 0.00 0.00 41.12 40.66 2h3v n ASP 93 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 2h3v n VAL 94 N -0.29 3.74 0.14 2.53 0.24 -1.26 -4.94 118.33 118.49 2h3v n VAL 94 Ca 0.39 -0.48 -0.25 0.00 -2.04 0.00 0.00 64.34 61.96 2h3v n VAL 94 Cb 0.40 -1.16 -0.16 0.00 -1.47 0.00 0.00 33.84 31.46 2h3v n VAL 94 CO 0.00 0.00 0.00 0.50 -2.14 0.00 0.00 176.83 175.19 2h3v h LYS 95 N 0.32 0.52 0.00 7.34 3.64 -1.97 -3.45 116.57 122.97 2h3v h LYS 95 Ca -0.49 -0.89 -0.43 0.00 -1.27 0.00 0.00 60.65 57.57 2h3v h LYS 95 Cb 1.36 0.33 -0.09 0.00 -0.41 0.00 0.00 32.23 33.42 2h3v h LYS 95 CO 0.50 1.43 -0.34 -0.40 -2.27 0.00 0.00 179.45 178.37 2h3v n ASP 96 N -3.75 1.88 0.14 4.20 5.68 -1.26 -1.53 116.55 121.90 2h3v n ASP 96 Ca -0.17 -2.57 0.03 0.00 -0.50 0.00 0.00 54.79 51.57 2h3v n ASP 96 Cb 1.08 0.55 0.02 0.00 -1.14 0.00 0.00 41.12 41.64 2h3v n ASP 96 CO 0.00 0.00 0.00 0.74 -1.33 0.00 0.00 177.20 176.61 2h3v h THR 97 N 1.37 0.80 -0.33 2.12 2.02 -1.50 -3.23 112.91 114.15 2h3v h THR 97 Ca -0.26 -2.15 -0.01 0.00 0.77 0.00 0.00 66.41 64.76 2h3v h THR 97 Cb 0.89 2.38 -0.01 0.00 -1.74 0.00 0.00 68.15 69.67 2h3v h THR 97 CO 0.42 0.46 0.15 0.50 0.37 0.00 0.00 175.52 177.41 2h3v h LYS 98 N 0.00 0.48 -0.39 6.66 1.63 -1.88 -2.72 116.57 120.35 2h3v h LYS 98 Ca -0.01 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.66 2h3v h LYS 98 Cb 1.38 -0.08 -0.02 0.00 -0.60 0.00 0.00 32.23 32.91 2h3v h LYS 98 CO 0.06 0.46 0.07 0.93 -3.45 0.00 0.00 179.45 177.52 2h3v h GLU 99 N 0.39 0.65 -0.37 1.90 4.39 -1.99 -2.49 114.58 117.06 2h3v h GLU 99 Ca 0.11 -0.17 0.11 0.00 0.34 0.00 0.00 59.36 59.75 2h3v h GLU 99 Cb 0.14 -0.08 -0.01 0.00 -0.10 0.00 0.00 28.75 28.70 2h3v h GLU 99 CO -0.01 0.70 0.35 0.00 -1.16 0.00 0.00 179.01 178.88 2h3v h ALA 100 N 0.93 2.13 -0.00 3.43 0.00 -1.55 -0.67 119.26 123.52 2h3v h ALA 100 Ca 0.12 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.88 2h3v h ALA 100 Cb 0.36 0.03 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2h3v h ALA 100 CO 0.01 -0.54 -0.54 1.25 0.00 0.00 0.00 179.25 179.43 2h3v h LEU 101 N 0.00 0.48 -0.87 0.00 7.12 -1.14 -2.83 115.31 118.07 2h3v h LEU 101 Ca 0.18 -0.76 -0.06 0.00 0.13 0.00 0.00 57.88 57.37 2h3v h LEU 101 Cb 0.88 -0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 40.83 2h3v h LEU 101 CO -0.00 1.18 0.17 -0.78 -0.13 0.00 0.00 178.44 178.88 2h3v h ASP 102 N -0.17 0.94 0.22 1.25 3.58 -1.02 0.14 116.42 121.36 2h3v h ASP 102 Ca -0.07 -0.18 -0.01 0.00 0.42 0.00 0.00 57.03 57.19 2h3v h ASP 102 Cb 1.26 -0.25 0.00 0.00 1.72 0.00 0.00 39.33 42.06 2h3v h ASP 102 CO 0.11 0.90 -0.11 0.11 -2.88 0.00 0.00 179.24 177.37 2h3v h LYS 103 N 0.97 -0.28 0.00 0.28 6.56 -1.28 0.24 116.57 123.05 2h3v h LYS 103 Ca 0.21 0.02 -0.06 0.00 -1.06 0.00 0.00 60.65 59.76 2h3v h LYS 103 Cb 0.32 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.03 2h3v h LYS 103 CO -0.00 -0.08 -0.29 0.82 -2.06 0.00 0.00 179.45 177.83 2h3v h ILE 104 N -0.43 0.88 0.02 1.86 2.04 -1.41 -0.97 117.51 119.50 2h3v h ILE 104 Ca -0.03 -1.15 -0.21 0.00 1.00 0.00 0.00 64.86 64.47 2h3v h ILE 104 Cb 0.33 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 2h3v h ILE 104 CO 0.05 0.29 -0.96 -0.08 0.00 0.00 0.00 178.15 177.45 2h3v h GLU 105 N 0.00 0.08 0.11 2.37 4.81 -0.46 -2.29 114.58 119.20 2h3v h GLU 105 Ca -0.00 -0.11 -0.27 0.00 -0.13 0.00 0.00 59.36 58.84 2h3v h GLU 105 Cb 0.66 0.04 -0.00 0.00 0.63 0.00 0.00 28.75 30.08 2h3v h GLU 105 CO 0.04 0.97 -1.29 0.93 -0.73 0.00 0.00 179.01 178.93 2h3v h GLU 106 N 0.04 0.23 -0.03 1.92 4.39 -0.22 -3.22 114.58 117.69 2h3v h GLU 106 Ca -0.03 -0.39 -0.03 0.00 0.34 0.00 0.00 59.36 59.24 2h3v h GLU 106 Cb 1.65 0.15 0.00 0.00 -0.10 0.00 0.00 28.75 30.45 2h3v h GLU 106 CO 0.13 1.16 -0.09 0.93 -1.16 0.00 0.00 179.01 179.98 2h3v h GLU 107 N 0.06 0.12 -0.45 2.33 4.39 -1.25 -3.15 114.58 116.63 2h3v h GLU 107 Ca -0.15 -0.08 0.13 0.00 0.34 0.00 0.00 59.36 59.60 2h3v h GLU 107 Cb 1.96 0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 30.61 2h3v h GLU 107 CO 0.18 0.70 0.33 0.37 -1.16 0.00 0.00 179.01 179.43 2h3v h GLN 108 N -0.45 0.00 -0.45 2.33 5.75 -1.55 0.18 115.11 120.93 2h3v h GLN 108 Ca -0.00 0.00 0.09 0.00 -0.15 0.00 0.00 58.65 58.58 2h3v h GLN 108 Cb 0.70 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.23 2h3v h GLN 108 CO 0.02 0.00 0.31 -0.97 -2.65 0.00 0.00 178.83 175.54 2h3v h ASN 109 N 0.00 0.21 -0.79 -0.69 -0.73 -1.55 -0.80 115.58 111.23 2h3v h ASN 109 Ca 0.21 0.00 0.00 0.00 1.87 0.00 0.00 56.30 58.39 2h3v h ASN 109 Cb 0.86 -0.04 -0.04 0.00 0.27 0.00 0.00 38.32 39.37 2h3v h ASN 109 CO -0.00 0.13 0.50 0.50 -0.37 0.00 0.00 177.43 178.19 2h3v h LYS 110 N 0.23 1.05 0.00 6.67 3.64 -1.07 -1.78 116.57 125.31 2h3v h LYS 110 Ca 0.21 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.39 2h3v h LYS 110 Cb 0.51 -0.23 -0.02 0.00 -0.41 0.00 0.00 32.23 32.08 2h3v h LYS 110 CO -0.04 0.71 -0.57 1.03 -2.27 0.00 0.00 179.45 178.31 2h3v h SER 111 N 1.08 0.00 -0.49 4.20 0.87 -1.27 -3.18 113.55 114.75 2h3v h SER 111 Ca 0.29 0.00 0.07 0.00 -1.23 0.00 0.00 61.79 60.92 2h3v h SER 111 Cb -0.09 0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 61.81 2h3v h SER 111 CO -0.06 0.57 0.15 0.50 -0.53 0.00 0.00 176.83 177.46 2h3v h LYS 112 N 0.00 0.31 0.00 2.24 1.63 -1.09 0.12 116.57 119.77 2h3v h LYS 112 Ca -0.01 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.75 2h3v h LYS 112 Cb 1.05 -0.07 -0.00 0.00 -0.60 0.00 0.00 32.23 32.60 2h3v h LYS 112 CO 0.07 0.20 -0.12 -0.22 -3.45 0.00 0.00 179.45 175.93 2h3v h LYS 113 N 0.32 0.00 -0.98 1.90 1.63 -1.53 -1.85 116.57 116.06 2h3v h LYS 113 Ca 0.24 0.00 -0.55 0.00 -0.85 0.00 0.00 60.65 59.48 2h3v h LYS 113 Cb 0.27 0.00 -0.30 0.00 -0.60 0.00 0.00 32.23 31.60 2h3v h LYS 113 CO -0.26 0.12 0.68 1.17 -3.45 0.00 0.00 179.45 177.72 2h3v n LYS 114 N -3.93 2.37 -1.42 1.90 4.81 -0.01 -4.28 118.16 117.60 2h3v n LYS 114 Ca -0.02 -3.10 -0.01 0.00 -0.87 0.00 0.00 58.31 54.31 2h3v n LYS 114 Cb 0.21 -2.20 0.02 0.00 0.02 0.00 0.00 35.03 33.08 2h3v n LYS 114 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2h3v n ALA 115 N -1.08 -0.52 -1.13 3.14 0.00 -0.75 -4.99 120.51 115.18 2h3v n ALA 115 Ca 0.60 -0.23 -0.14 0.00 0.00 0.00 0.00 53.44 53.66 2h3v n ALA 115 Cb 1.37 -0.48 0.25 0.00 0.00 0.00 0.00 19.45 20.59 2h3v n ALA 115 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 2h3v n GLN 116 N -0.27 3.08 -0.07 0.00 7.27 -0.90 -3.69 117.38 122.80 2h3v n GLN 116 Ca -0.06 -3.06 -0.06 0.00 0.07 0.00 0.00 57.00 53.90 2h3v n GLN 116 Cb 0.52 -2.21 -0.13 0.00 2.41 0.00 0.00 30.24 30.83 2h3v n GLN 116 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 2h3v n GLN 117 N -0.60 1.13 -0.02 3.69 6.02 -1.26 -4.39 117.38 121.95 2h3v n GLN 117 Ca 0.50 -0.03 -0.06 0.00 -0.01 0.00 0.00 57.00 57.40 2h3v n GLN 117 Cb 1.53 -1.43 -0.02 0.00 1.02 0.00 0.00 30.24 31.34 2h3v n GLN 117 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2h3v n ALA 118 N -2.55 2.60 0.13 -1.58 0.00 -1.26 -4.66 120.51 113.17 2h3v n ALA 118 Ca -0.24 -0.24 0.16 0.00 0.00 0.00 0.00 53.44 53.13 2h3v n ALA 118 Cb 0.97 0.40 0.72 0.00 0.00 0.00 0.00 19.45 21.53 2h3v n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v h ALA 119 N -0.22 2.18 -0.73 0.00 0.00 -1.81 -1.58 119.26 117.11 2h3v h ALA 119 Ca -0.14 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.84 2h3v h ALA 119 Cb 1.03 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.78 2h3v h ALA 119 CO -0.08 -0.38 0.40 0.00 0.00 0.00 0.00 179.25 179.18 2h3v h ALA 120 N 1.81 1.00 -0.18 0.00 0.00 -1.78 -2.17 119.26 117.93 2h3v h ALA 120 Ca 0.14 0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.98 2h3v h ALA 120 Cb 0.60 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 2h3v h ALA 120 CO -0.00 0.05 -0.29 -0.44 0.00 0.00 0.00 179.25 178.57 2h3v h ASP 121 N 0.70 0.57 -4.12 0.00 5.19 -1.57 -3.39 116.42 113.80 2h3v h ASP 121 Ca 0.34 -0.53 -0.64 0.00 -0.62 0.00 0.00 57.03 55.59 2h3v h ASP 121 Cb 0.27 -0.16 -0.41 0.00 0.18 0.00 0.00 39.33 39.21 2h3v h ASP 121 CO -0.22 0.99 -0.66 -0.89 -3.12 0.00 0.00 179.24 175.34 2h3v s THR 122 N -4.13 2.31 0.00 0.35 2.01 -0.93 -5.05 115.64 110.20 2h3v s THR 122 Ca -0.13 -3.03 0.00 0.00 0.31 0.00 0.00 61.69 58.84 2h3v s THR 122 Cb 0.06 -2.62 0.00 0.00 0.01 0.00 0.00 72.50 69.95 2h3v s THR 122 CO 0.80 -0.79 0.00 0.61 -0.69 0.00 0.00 174.62 174.55 2h3v n GLY 123 N 3.36 1.02 3.28 4.40 0.00 -0.86 -4.57 105.19 111.82 2h3v n GLY 123 Ca 0.05 -0.56 -0.27 0.00 0.00 0.00 0.00 46.02 45.25 2h3v n GLY 123 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2h3v s ASN 124 N 2.00 2.69 -0.57 1.61 2.47 -1.26 -5.04 114.94 116.83 2h3v s ASN 124 Ca 0.00 -0.56 -0.03 0.00 0.42 0.00 0.00 52.86 52.68 2h3v s ASN 124 Cb 0.00 -0.22 0.16 0.00 -1.45 0.00 0.00 41.25 39.74 2h3v s ASN 124 CO 0.00 0.18 2.52 0.59 -3.72 0.00 0.00 177.10 176.66 2h3v n ASN 125 N 1.71 6.81 -1.14 -4.21 3.02 -1.26 -5.01 115.26 115.19 2h3v n ASN 125 Ca -0.17 -3.40 0.08 0.00 -0.03 0.00 0.00 54.58 51.06 2h3v n ASN 125 Cb 0.53 -1.17 -0.02 0.00 -0.61 0.00 0.00 39.78 38.50 2h3v n ASN 125 CO 0.00 0.00 0.00 -0.24 -2.62 0.00 0.00 177.26 174.40 2h3v n SER 126 N 0.40 -6.81 -4.59 6.41 2.88 -1.26 -4.49 113.62 106.16 2h3v n SER 126 Ca 0.50 0.67 -0.42 0.00 -1.33 0.00 0.00 58.87 58.29 2h3v n SER 126 Cb 0.46 -1.89 -0.02 0.00 -0.75 0.00 0.00 64.21 62.01 2h3v n SER 126 CO 0.00 0.00 0.00 -1.10 -1.23 0.00 0.00 175.04 172.71 2h3v s GLN 127 N -0.98 3.39 -0.24 -1.46 -1.52 -1.26 -4.85 119.66 112.75 2h3v s GLN 127 Ca 0.00 0.91 0.10 0.00 -1.95 0.00 0.00 55.36 54.41 2h3v s GLN 127 Cb 0.00 -4.11 0.44 0.00 -0.22 0.00 0.00 33.01 29.12 2h3v s GLN 127 CO 0.00 -1.80 1.21 1.33 -0.25 0.00 0.00 175.29 175.78 2h3v n VAL 128 N 7.12 2.31 -3.66 1.09 0.24 -1.26 -4.97 118.33 119.20 2h3v n VAL 128 Ca 0.17 -3.63 -0.05 0.00 -2.04 0.00 0.00 64.34 58.80 2h3v n VAL 128 Cb 0.48 -0.59 -0.07 0.00 -1.47 0.00 0.00 33.84 32.20 2h3v n VAL 128 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2h3v s SER 129 N -3.38 -0.70 0.88 -1.34 1.04 -1.26 -5.16 113.70 103.77 2h3v s SER 129 Ca 0.43 1.28 -0.10 0.00 0.48 0.00 0.00 55.95 58.04 2h3v s SER 129 Cb 0.39 1.76 0.12 0.00 0.10 0.00 0.00 66.02 68.39 2h3v s SER 129 CO -0.03 -0.23 1.14 -1.10 0.98 0.00 0.00 173.24 174.01 2h3v s GLN 130 N 2.64 1.32 0.64 4.02 -1.52 -1.26 -5.00 119.66 120.50 2h3v s GLN 130 Ca -0.04 1.48 -0.11 0.00 -1.95 0.00 0.00 55.36 54.74 2h3v s GLN 130 Cb -0.12 -1.77 -0.03 0.00 -0.22 0.00 0.00 33.01 30.88 2h3v s GLN 130 CO -0.16 -2.40 1.05 -0.80 -0.25 0.00 0.00 175.29 172.73 2h3v s ASN 131 N -2.79 6.01 0.00 5.90 -0.87 -1.26 -5.27 114.94 116.66 2h3v s ASN 131 Ca 0.66 1.36 0.19 0.00 -1.57 0.00 0.00 52.86 53.50 2h3v s ASN 131 Cb -0.22 -2.35 0.15 0.00 -0.02 0.00 0.00 41.25 38.82 2h3v s ASN 131 CO 0.57 -1.00 1.11 -1.22 -2.57 0.00 0.00 177.10 173.98