#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 2.61 0.17 4.61 0.00 -1.26 -5.06 121.76 122.83 2h3v s ALA 3 Ca 0.00 0.26 0.04 0.00 0.00 0.00 0.00 51.96 52.26 2h3v s ALA 3 Cb 0.00 -3.22 -0.04 0.00 0.00 0.00 0.00 23.12 19.86 2h3v s ALA 3 CO 0.00 -1.18 0.22 0.50 0.00 0.00 0.00 175.76 175.30 2h3v s ARG 4 N -4.62 3.19 0.18 0.00 3.52 -1.26 -5.10 118.95 114.86 2h3v s ARG 4 Ca 0.61 -0.75 -0.25 0.00 -0.13 0.00 0.00 55.73 55.21 2h3v s ARG 4 Cb -0.16 -2.81 -0.08 0.00 -1.56 0.00 0.00 34.95 30.34 2h3v s ARG 4 CO 0.48 0.49 0.79 0.00 -0.81 0.00 0.00 175.30 176.25 2h3v s ALA 5 N -1.78 3.43 -0.07 6.12 0.00 -1.26 -4.93 121.76 123.27 2h3v s ALA 5 Ca 0.33 0.38 0.03 0.00 0.00 0.00 0.00 51.96 52.69 2h3v s ALA 5 Cb -0.10 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.13 2h3v s ALA 5 CO 0.26 0.29 0.81 -1.13 0.00 0.00 0.00 175.76 175.99 2h3v n SER 6 N 1.50 -0.73 -0.07 0.00 3.41 -1.26 -5.01 113.62 111.45 2h3v n SER 6 Ca -0.05 -1.44 -0.08 0.00 -0.26 0.00 0.00 58.87 57.04 2h3v n SER 6 Cb 0.49 0.27 -0.04 0.00 -0.26 0.00 0.00 64.21 64.67 2h3v n SER 6 CO 0.00 0.00 0.00 0.58 -0.16 0.00 0.00 175.04 175.46 2h3v h VAL 7 N 2.94 0.31 -3.18 -3.33 2.07 -1.92 -3.44 116.25 109.70 2h3v h VAL 7 Ca -0.33 -1.34 -0.67 0.00 0.82 0.00 0.00 66.70 65.18 2h3v h VAL 7 Cb 1.11 0.70 -0.33 0.00 -1.52 0.00 0.00 31.29 31.26 2h3v h VAL 7 CO -0.16 0.11 -0.82 -0.76 0.02 0.00 0.00 177.57 175.95 2h3v s LEU 8 N -8.21 2.35 0.00 2.57 1.43 -1.26 -4.68 118.68 110.89 2h3v s LEU 8 Ca -0.15 -0.56 -0.12 0.00 -1.03 0.00 0.00 54.13 52.27 2h3v s LEU 8 Cb 0.02 -1.54 0.17 0.00 0.03 0.00 0.00 46.19 44.87 2h3v s LEU 8 CO 0.29 0.02 0.61 -1.54 0.23 0.00 0.00 176.35 175.96 2h3v n SER 9 N 4.50 -1.61 -0.08 2.29 3.41 -1.26 -4.46 113.62 116.42 2h3v n SER 9 Ca -0.20 -0.88 -0.07 0.00 -0.26 0.00 0.00 58.87 57.47 2h3v n SER 9 Cb 0.51 -0.56 -0.01 0.00 -0.26 0.00 0.00 64.21 63.89 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 -1.74 0.21 0.84 5.00 0.00 -2.00 0.25 103.07 105.64 2h3v h GLY 10 Ca -0.23 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.20 2h3v h GLY 10 CO 0.15 -0.12 0.03 -1.33 0.00 0.00 0.00 176.54 175.28 2h3v h GLY 11 N -0.01 0.16 1.32 4.60 0.00 -2.01 -2.33 103.07 104.80 2h3v h GLY 11 Ca 0.14 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.38 2h3v h GLY 11 CO -0.31 0.09 0.43 0.83 0.00 0.00 0.00 176.54 177.57 2h3v h GLU 12 N -0.02 0.91 -0.59 4.80 5.08 -1.82 -2.36 114.58 120.58 2h3v h GLU 12 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 2h3v h GLU 12 Cb 0.20 -0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.22 2h3v h GLU 12 CO -0.00 0.63 0.25 1.25 -1.00 0.00 0.00 179.01 180.14 2h3v h LEU 13 N 0.93 0.80 0.38 1.33 6.46 -0.31 0.24 115.31 125.14 2h3v h LEU 13 Ca 0.25 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.85 2h3v h LEU 13 Cb -0.06 -0.21 -0.02 0.00 -0.73 0.00 0.00 40.66 39.64 2h3v h LEU 13 CO -0.05 0.73 -0.35 0.44 -0.62 0.00 0.00 178.44 178.60 2h3v h ASP 14 N 0.81 -0.93 0.37 1.25 3.32 -0.89 0.01 116.42 120.35 2h3v h ASP 14 Ca 0.20 0.08 -0.07 0.00 0.02 0.00 0.00 57.03 57.26 2h3v h ASP 14 Cb 0.17 0.31 -0.01 0.00 0.22 0.00 0.00 39.33 40.02 2h3v h ASP 14 CO -0.02 -0.50 -0.33 0.11 -1.72 0.00 0.00 179.24 176.78 2h3v h LYS 15 N -0.74 0.00 -0.00 3.56 6.56 -1.44 -2.97 116.57 121.53 2h3v h LYS 15 Ca -0.03 0.00 -0.00 0.00 -1.06 0.00 0.00 60.65 59.56 2h3v h LYS 15 Cb 0.66 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 32.32 2h3v h LYS 15 CO -0.04 0.33 0.00 2.35 -2.06 0.00 0.00 179.45 180.03 2h3v h TRP 16 N 0.00 0.01 0.00 -1.35 2.91 0.03 -0.79 115.95 116.75 2h3v h TRP 16 Ca -0.00 -0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 2h3v h TRP 16 Cb 0.61 -0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 2h3v h TRP 16 CO 0.00 0.19 -0.04 0.93 -1.03 0.00 0.00 178.44 178.49 2h3v h GLU 17 N -0.18 0.00 0.07 2.65 5.08 -0.90 -2.61 114.58 118.70 2h3v h GLU 17 Ca 0.00 0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.25 2h3v h GLU 17 Cb 0.18 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.45 2h3v h GLU 17 CO -0.00 0.04 -0.50 0.87 -1.00 0.00 0.00 179.01 178.42 2h3v h LYS 18 N 0.00 0.21 -6.49 2.33 1.79 -1.30 -3.32 116.57 109.79 2h3v h LYS 18 Ca -0.00 -0.32 -0.61 0.00 -2.18 0.00 0.00 60.65 57.54 2h3v h LYS 18 Cb 0.13 0.11 0.09 0.00 -1.58 0.00 0.00 32.23 30.99 2h3v h LYS 18 CO 0.01 1.12 0.40 -0.89 -1.08 0.00 0.00 179.45 179.00 2h3v n ILE 19 N -4.32 1.20 -3.81 1.86 5.41 -0.34 -4.69 119.36 114.67 2h3v n ILE 19 Ca -0.12 -0.30 -0.27 0.00 1.00 0.00 0.00 62.75 63.06 2h3v n ILE 19 Cb 0.67 -1.17 -0.03 0.00 -0.71 0.00 0.00 39.64 38.40 2h3v n ILE 19 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 2h3v s ARG 20 N -0.72 3.48 0.24 0.38 0.52 0.74 -0.53 118.95 123.06 2h3v s ARG 20 Ca 0.67 -0.44 -0.06 0.00 -0.52 0.00 0.00 55.73 55.38 2h3v s ARG 20 Cb -0.72 -2.91 0.24 0.00 0.52 0.00 0.00 34.95 32.07 2h3v s ARG 20 CO 0.53 0.47 1.81 -0.07 0.02 0.00 0.00 175.30 178.07 2h3v h LEU 21 N 2.18 1.04 -8.67 2.53 3.38 -1.53 -2.39 115.31 111.85 2h3v h LEU 21 Ca -0.48 -0.14 -0.34 0.00 0.09 0.00 0.00 57.88 57.00 2h3v h LEU 21 Cb 1.19 -0.27 -0.15 0.00 0.09 0.00 0.00 40.66 41.52 2h3v h LEU 21 CO 0.69 0.91 -0.72 -0.13 0.09 0.00 0.00 178.44 179.28 2h3v s ARG 22 N -5.56 1.08 0.27 1.13 3.00 -1.26 -3.78 118.95 113.84 2h3v s ARG 22 Ca -0.12 -1.45 0.04 0.00 0.00 0.00 0.00 55.73 54.20 2h3v s ARG 22 Cb 0.16 -0.68 0.36 0.00 0.00 0.00 0.00 34.95 34.79 2h3v s ARG 22 CO 0.83 0.09 1.65 -1.00 0.00 0.00 0.00 175.30 176.87 2h3v h PRO 23 N 2.80 0.31 -0.67 3.54 0.13 -1.93 -3.14 132.00 133.03 2h3v h PRO 23 Ca -0.37 -0.16 -0.40 0.00 -0.87 0.00 0.00 66.00 64.20 2h3v h PRO 23 Cb 1.19 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.10 2h3v h PRO 23 CO 0.63 0.70 0.17 0.41 -0.23 0.00 0.00 178.00 179.67 2h3v n GLY 24 N -0.06 5.17 3.55 1.56 0.00 -1.26 -5.00 105.19 109.15 2h3v n GLY 24 Ca -0.02 -1.57 -0.27 0.00 0.00 0.00 0.00 46.02 44.17 2h3v n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2h3v s GLY 25 N -2.25 2.67 -0.02 -0.02 0.00 -1.19 -5.07 107.32 101.44 2h3v s GLY 25 Ca 0.52 -1.13 0.04 0.00 0.00 0.00 0.00 44.72 44.15 2h3v s GLY 25 CO 0.03 -1.87 0.05 0.28 0.00 0.00 0.00 173.10 171.58 2h3v n LYS 26 N -0.96 2.03 -1.51 2.90 4.01 -1.26 -4.85 118.16 118.51 2h3v n LYS 26 Ca -0.08 -0.02 -0.42 0.00 -0.51 0.00 0.00 58.31 57.29 2h3v n LYS 26 Cb 0.65 -1.10 -0.07 0.00 -0.51 0.00 0.00 35.03 34.00 2h3v n LYS 26 CO 0.00 0.00 0.00 1.17 -1.11 0.00 0.00 177.40 177.46 2h3v n LYS 27 N -1.94 0.83 -1.56 1.97 4.81 -1.26 -4.91 118.16 116.10 2h3v n LYS 27 Ca -0.04 0.10 -0.29 0.00 -0.87 0.00 0.00 58.31 57.21 2h3v n LYS 27 Cb 0.41 -2.68 0.14 0.00 0.02 0.00 0.00 35.03 32.91 2h3v n LYS 27 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2h3v s GLN 28 N 7.83 1.14 0.32 1.64 -0.21 -1.26 -1.48 119.66 127.64 2h3v s GLN 28 Ca 1.11 0.25 -0.16 0.00 0.02 0.00 0.00 55.36 56.57 2h3v s GLN 28 Cb -0.64 -1.84 -0.09 0.00 1.00 0.00 0.00 33.01 31.44 2h3v s GLN 28 CO 0.38 -2.19 0.76 0.71 -2.12 0.00 0.00 175.29 172.83 2h3v s TYR 29 N -3.31 3.41 0.16 0.91 2.02 0.31 -4.65 117.35 116.20 2h3v s TYR 29 Ca 0.64 1.29 -0.09 0.00 -0.37 0.00 0.00 57.07 58.55 2h3v s TYR 29 Cb -0.14 -2.58 -0.01 0.00 -0.40 0.00 0.00 41.96 38.83 2h3v s TYR 29 CO 0.53 0.11 0.27 0.15 -1.57 0.00 0.00 175.55 175.04 2h3v s LYS 30 N -2.85 1.13 0.52 -0.62 -0.14 -1.26 -4.16 119.74 112.36 2h3v s LYS 30 Ca 0.53 -1.17 0.29 0.00 -1.36 0.00 0.00 55.97 54.26 2h3v s LYS 30 Cb -0.11 0.37 1.42 0.00 -1.68 0.00 0.00 37.83 37.82 2h3v s LYS 30 CO 0.18 -0.41 1.91 -0.07 -0.76 0.00 0.00 175.35 176.20 2h3v h LEU 31 N 2.57 0.05 -1.32 3.17 -0.00 -1.98 0.68 115.31 118.47 2h3v h LEU 31 Ca -0.32 0.01 0.20 0.00 -0.00 0.00 0.00 57.88 57.76 2h3v h LEU 31 Cb 1.23 -0.00 -0.08 0.00 -0.00 0.00 0.00 40.66 41.80 2h3v h LEU 31 CO 0.49 0.02 0.61 0.11 -0.00 0.00 0.00 178.44 179.67 2h3v h LYS 32 N 0.05 0.53 0.05 1.13 1.79 -1.99 0.16 116.57 118.29 2h3v h LYS 32 Ca 0.39 -0.03 -0.25 0.00 -2.18 0.00 0.00 60.65 58.58 2h3v h LYS 32 Cb 1.49 -0.12 0.01 0.00 -1.58 0.00 0.00 32.23 32.03 2h3v h LYS 32 CO -0.03 0.35 -1.06 0.45 -1.08 0.00 0.00 179.45 178.09 2h3v h HIS 33 N 0.55 0.61 -0.44 -1.35 3.86 -1.27 -1.19 115.15 115.91 2h3v h HIS 33 Ca 0.51 -0.37 -0.09 0.00 -1.16 0.00 0.00 60.37 59.27 2h3v h HIS 33 Cb 1.07 -0.05 -0.02 0.00 1.06 0.00 0.00 27.41 29.47 2h3v h HIS 33 CO -0.00 1.21 -0.07 0.82 0.86 0.00 0.00 177.93 180.75 2h3v h ILE 34 N 0.19 1.25 0.20 2.45 2.04 -1.02 -2.74 117.51 119.87 2h3v h ILE 34 Ca -0.11 -1.11 -0.31 0.00 1.00 0.00 0.00 64.86 64.34 2h3v h ILE 34 Cb 1.72 0.99 0.02 0.00 -0.74 0.00 0.00 36.82 38.81 2h3v h ILE 34 CO 0.18 0.38 -1.39 0.58 0.00 0.00 0.00 178.15 177.91 2h3v h VAL 35 N 0.71 1.37 -0.87 1.67 2.07 -1.26 -3.16 116.25 116.78 2h3v h VAL 35 Ca 0.13 -2.86 0.10 0.00 0.82 0.00 0.00 66.70 64.89 2h3v h VAL 35 Cb 0.54 2.99 -0.06 0.00 -1.52 0.00 0.00 31.29 33.24 2h3v h VAL 35 CO 0.03 0.85 0.56 -0.25 0.02 0.00 0.00 177.57 178.78 2h3v h TRP 36 N 0.11 0.91 0.00 1.57 7.01 -1.12 0.09 115.95 124.52 2h3v h TRP 36 Ca -0.21 0.02 -0.12 0.00 2.11 0.00 0.00 58.89 60.70 2h3v h TRP 36 Cb 2.08 -0.29 -0.02 0.00 -2.10 0.00 0.00 29.16 28.83 2h3v h TRP 36 CO 0.10 0.41 -0.57 0.00 -2.79 0.00 0.00 178.44 175.59 2h3v h ALA 37 N 1.57 0.77 -0.26 2.65 0.00 -1.57 -2.97 119.26 119.45 2h3v h ALA 37 Ca 0.41 -0.52 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 2h3v h ALA 37 Cb 0.44 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.14 2h3v h ALA 37 CO -0.17 0.71 -0.21 1.03 0.00 0.00 0.00 179.25 180.61 2h3v h SER 38 N 0.00 0.64 0.67 0.00 0.87 -0.97 -0.16 113.55 114.59 2h3v h SER 38 Ca -0.01 -0.45 -0.06 0.00 -1.23 0.00 0.00 61.79 60.04 2h3v h SER 38 Cb 1.24 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 63.02 2h3v h SER 38 CO 0.07 0.96 -0.30 0.03 -0.53 0.00 0.00 176.83 177.06 2h3v h ARG 39 N 0.32 0.00 0.00 2.24 3.08 -1.35 -2.76 114.38 115.91 2h3v h ARG 39 Ca 0.05 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.94 2h3v h ARG 39 Cb 0.76 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.78 2h3v h ARG 39 CO 0.06 0.30 -0.99 1.49 -1.07 0.00 0.00 179.97 179.75 2h3v h GLU 40 N 0.00 0.00 -0.05 0.04 4.57 -1.37 -3.33 114.58 114.44 2h3v h GLU 40 Ca -0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 2h3v h GLU 40 Cb 0.72 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2h3v h GLU 40 CO 0.04 0.49 -0.03 -0.07 -1.18 0.00 0.00 179.01 178.26 2h3v h LEU 41 N 0.00 0.11 -2.14 1.64 3.38 -0.74 -2.94 115.31 114.61 2h3v h LEU 41 Ca -0.08 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.51 2h3v h LEU 41 Cb 1.56 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 42.26 2h3v h LEU 41 CO 0.07 0.54 0.28 -0.08 0.09 0.00 0.00 178.44 179.33 2h3v h GLU 42 N -0.32 0.00 0.00 1.13 4.22 -0.91 0.26 114.58 118.96 2h3v h GLU 42 Ca 0.01 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.36 2h3v h GLU 42 Cb 0.50 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.74 2h3v h GLU 42 CO 0.01 0.00 -0.43 -0.09 -2.18 0.00 0.00 179.01 176.32 2h3v h ARG 43 N 0.00 0.00 -0.92 1.92 2.43 -1.63 -2.94 114.38 113.25 2h3v h ARG 43 Ca 0.12 0.00 -0.32 0.00 -0.81 0.00 0.00 59.98 58.98 2h3v h ARG 43 Cb 0.67 0.00 -0.19 0.00 -0.42 0.00 0.00 29.97 30.03 2h3v h ARG 43 CO -0.00 0.43 0.40 1.19 -1.51 0.00 0.00 179.97 180.48 2h3v n PHE 44 N -3.56 2.28 -1.49 2.20 3.72 0.84 -4.85 117.46 116.60 2h3v n PHE 44 Ca -0.00 -1.34 -0.17 0.00 -0.05 0.00 0.00 57.45 55.88 2h3v n PHE 44 Cb 0.54 -0.72 -0.07 0.00 -0.94 0.00 0.00 39.48 38.29 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 -0.50 -0.26 -3.88 4.37 0.00 -1.11 -4.96 120.51 114.17 2h3v n ALA 45 Ca 0.42 0.27 -0.34 0.00 0.00 0.00 0.00 53.44 53.80 2h3v n ALA 45 Cb 1.34 -1.79 -0.15 0.00 0.00 0.00 0.00 19.45 18.86 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 -2.61 2.55 0.47 0.00 1.01 -0.73 -5.00 120.40 116.09 2h3v s VAL 46 Ca 0.00 -1.16 -0.23 0.00 0.00 0.00 0.00 61.98 60.58 2h3v s VAL 46 Cb 0.00 -2.30 -0.08 0.00 0.00 0.00 0.00 36.38 33.99 2h3v s VAL 46 CO 0.00 0.20 1.17 0.59 0.00 0.00 0.00 175.10 177.06 2h3v n ASN 47 N 4.60 1.95 0.00 3.32 4.13 -1.26 -1.13 115.26 126.87 2h3v n ASN 47 Ca -0.17 1.02 0.07 0.00 1.68 0.00 0.00 54.58 57.18 2h3v n ASN 47 Cb 0.46 -1.46 0.33 0.00 -1.54 0.00 0.00 39.78 37.57 2h3v n ASN 47 CO 0.00 0.00 0.00 -0.81 0.28 0.00 0.00 177.26 176.73 2h3v n PRO 48 N -0.29 0.07 0.00 3.52 -0.04 -1.26 -2.74 135.00 134.26 2h3v n PRO 48 Ca 0.09 0.22 0.03 0.00 -0.04 0.00 0.00 63.50 63.80 2h3v n PRO 48 Cb 0.42 -1.50 0.20 0.00 -0.04 0.00 0.00 33.50 32.58 2h3v n PRO 48 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2h3v n GLY 49 N -0.04 -0.92 2.05 0.55 0.00 -1.26 -3.32 105.19 102.25 2h3v n GLY 49 Ca 0.05 -0.04 -0.09 0.00 0.00 0.00 0.00 46.02 45.94 2h3v n GLY 49 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2h3v n LEU 50 N -0.62 6.23 -0.01 0.99 4.77 -1.11 -4.12 117.00 123.14 2h3v n LEU 50 Ca 0.05 -3.29 0.01 0.00 -0.03 0.00 0.00 56.01 52.76 2h3v n LEU 50 Cb 0.02 -0.76 -0.04 0.00 -2.33 0.00 0.00 43.42 40.31 2h3v n LEU 50 CO 0.04 0.85 -0.59 0.18 -1.33 0.00 0.00 177.39 176.54 2h3v n LEU 51 N -0.30 0.00 -1.65 2.23 4.77 -1.21 -2.88 117.00 117.96 2h3v n LEU 51 Ca 0.44 0.00 -0.00 0.00 -0.03 0.00 0.00 56.01 56.42 2h3v n LEU 51 Cb 1.44 0.03 0.27 0.00 -2.33 0.00 0.00 43.42 42.83 2h3v n LEU 51 CO 0.47 0.03 0.81 -1.84 -1.33 0.00 0.00 177.39 175.53 2h3v n GLU 52 N -1.82 3.52 -3.89 3.23 0.28 -1.26 -4.83 120.64 115.87 2h3v n GLU 52 Ca -0.03 -2.37 -0.21 0.00 -0.16 0.00 0.00 57.16 54.39 2h3v n GLU 52 Cb 0.28 -2.04 -0.17 0.00 1.43 0.00 0.00 31.44 30.93 2h3v n GLU 52 CO 0.00 0.00 0.00 0.95 -0.16 0.00 0.00 177.13 177.92 2h3v s THR 53 N -2.38 0.38 0.61 3.84 -4.23 -1.26 -4.97 115.64 107.63 2h3v s THR 53 Ca 0.42 0.06 0.31 0.00 -1.18 0.00 0.00 61.69 61.30 2h3v s THR 53 Cb 0.33 -0.50 0.37 0.00 1.34 0.00 0.00 72.50 74.04 2h3v s THR 53 CO 0.11 0.23 2.13 0.77 -0.54 0.00 0.00 174.62 177.33 2h3v h SER 54 N 7.88 0.00 0.00 3.99 4.64 -1.88 -2.00 113.55 126.18 2h3v h SER 54 Ca -0.28 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 60.97 2h3v h SER 54 Cb 1.13 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.21 2h3v h SER 54 CO 0.34 0.00 -0.41 -0.33 -0.87 0.00 0.00 176.83 175.57 2h3v h GLU 55 N 0.00 0.00 -0.53 4.77 3.07 -1.95 -3.32 114.58 116.62 2h3v h GLU 55 Ca 0.06 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.02 2h3v h GLU 55 Cb 0.40 0.00 -0.08 0.00 -0.84 0.00 0.00 28.75 28.23 2h3v h GLU 55 CO -0.00 0.89 0.06 0.78 -1.40 0.00 0.00 179.01 179.34 2h3v h GLY 56 N -1.00 0.61 0.21 -3.84 0.00 -1.67 -0.73 103.07 96.65 2h3v h GLY 56 Ca -0.11 0.01 0.18 0.00 0.00 0.00 0.00 47.33 47.41 2h3v h GLY 56 CO -0.07 -0.11 0.62 0.00 0.00 0.00 0.00 176.54 176.98 2h3v h ARG 58 N 0.79 0.86 -0.31 0.00 2.43 -1.24 -1.73 114.38 115.18 2h3v h ARG 58 Ca 0.56 -0.16 -0.13 0.00 -0.81 0.00 0.00 59.98 59.44 2h3v h ARG 58 Cb 0.83 -0.14 -0.01 0.00 -0.42 0.00 0.00 29.97 30.24 2h3v h ARG 58 CO -0.34 0.75 -0.30 0.37 -1.51 0.00 0.00 179.97 178.94 2h3v h GLN 59 N 0.83 0.75 -0.67 0.20 4.15 -0.50 -1.75 115.11 118.12 2h3v h GLN 59 Ca 0.19 -0.39 -0.04 0.00 0.77 0.00 0.00 58.65 59.18 2h3v h GLN 59 Cb 0.25 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 27.92 2h3v h GLN 59 CO -0.01 1.01 0.26 0.82 -1.93 0.00 0.00 178.83 178.98 2h3v h ILE 60 N 0.51 1.24 0.00 2.39 2.04 -0.98 -2.22 117.51 120.49 2h3v h ILE 60 Ca 0.05 -0.76 -0.09 0.00 1.00 0.00 0.00 64.86 65.07 2h3v h ILE 60 Cb 0.87 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 2h3v h ILE 60 CO 0.07 0.30 -0.42 -0.07 0.00 0.00 0.00 178.15 178.03 2h3v h LEU 61 N 0.97 0.00 -1.61 1.44 3.38 -1.26 -2.99 115.31 115.25 2h3v h LEU 61 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 2h3v h LEU 61 Cb 0.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.96 2h3v h LEU 61 CO -0.02 0.42 0.00 1.23 0.09 0.00 0.00 178.44 180.17 2h3v h GLY 62 N 2.48 0.00 0.40 0.83 0.00 -0.67 0.24 103.07 106.35 2h3v h GLY 62 Ca -0.00 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.12 2h3v h GLY 62 CO 0.06 0.00 -1.92 -1.06 0.00 0.00 0.00 176.54 173.62 2h3v n GLN 63 N -3.03 0.66 0.03 4.80 6.02 -1.14 -4.27 117.38 120.45 2h3v n GLN 63 Ca 0.00 0.04 -0.00 0.00 -0.01 0.00 0.00 57.00 57.04 2h3v n GLN 63 Cb 0.27 -1.64 -0.08 0.00 1.02 0.00 0.00 30.24 29.81 2h3v n GLN 63 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.06 175.98 2h3v h LEU 64 N 0.00 0.00 0.17 1.08 3.38 -1.37 -3.31 115.31 115.27 2h3v h LEU 64 Ca -0.27 0.00 0.01 0.00 0.09 0.00 0.00 57.88 57.70 2h3v h LEU 64 Cb 1.71 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 42.43 2h3v h LEU 64 CO 0.03 0.58 -0.44 1.56 0.09 0.00 0.00 178.44 180.26 2h3v h GLN 65 N 0.00 -0.66 0.00 1.13 4.20 -0.70 -0.37 115.11 118.71 2h3v h GLN 65 Ca -0.16 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.59 2h3v h GLN 65 Cb 1.58 0.15 0.00 0.00 0.30 0.00 0.00 27.48 29.51 2h3v h GLN 65 CO 0.05 -0.44 0.00 -1.00 -0.67 0.00 0.00 178.83 176.77 2h3v h PRO 66 N -0.68 0.00 -0.68 1.46 0.13 -1.77 -2.69 132.00 127.77 2h3v h PRO 66 Ca -0.02 0.00 -0.27 0.00 -0.87 0.00 0.00 66.00 64.84 2h3v h PRO 66 Cb 0.66 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 31.63 2h3v h PRO 66 CO -0.20 0.00 0.27 0.43 -0.23 0.00 0.00 178.00 178.28 2h3v n SER 67 N -2.55 3.93 0.14 1.44 7.64 -0.67 -4.47 113.62 119.08 2h3v n SER 67 Ca 0.01 -3.43 -0.24 0.00 1.01 0.00 0.00 58.87 56.23 2h3v n SER 67 Cb 0.25 -0.73 -0.16 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 1.76 0.80 -0.02 -3.43 3.38 -0.75 0.11 115.31 117.16 2h3v h LEU 68 Ca 0.33 -0.85 -0.05 0.00 0.09 0.00 0.00 57.88 57.40 2h3v h LEU 68 Cb 2.25 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 42.74 2h3v h LEU 68 CO 0.71 1.67 -0.19 -0.61 0.09 0.00 0.00 178.44 180.11 2h3v h GLN 69 N 0.15 0.16 0.00 1.13 5.75 -1.82 -3.29 115.11 117.18 2h3v h GLN 69 Ca -0.24 -0.15 -0.13 0.00 -0.15 0.00 0.00 58.65 57.98 2h3v h GLN 69 Cb 2.14 0.04 -0.02 0.00 1.07 0.00 0.00 27.48 30.71 2h3v h GLN 69 CO 0.27 0.85 -0.61 1.15 -2.65 0.00 0.00 178.83 177.84 2h3v h THR 70 N -0.47 1.09 -2.69 2.39 2.02 -1.83 -3.46 112.91 109.96 2h3v h THR 70 Ca -0.02 -2.40 -0.35 0.00 0.77 0.00 0.00 66.41 64.42 2h3v h THR 70 Cb 0.90 2.44 0.20 0.00 -1.74 0.00 0.00 68.15 69.94 2h3v h THR 70 CO 0.04 0.59 -0.23 0.61 0.37 0.00 0.00 175.52 176.90 2h3v n GLY 71 N 1.06 -3.20 0.95 2.16 0.00 0.36 -5.06 105.19 101.46 2h3v n GLY 71 Ca 0.01 -1.36 -0.08 0.00 0.00 0.00 0.00 46.02 44.59 2h3v n GLY 71 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2h3v n SER 72 N -4.34 2.05 -0.19 1.61 3.41 -1.26 -4.96 113.62 109.94 2h3v n SER 72 Ca 0.09 -1.59 0.20 0.00 -0.26 0.00 0.00 58.87 57.31 2h3v n SER 72 Cb 0.53 0.14 0.56 0.00 -0.26 0.00 0.00 64.21 65.18 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 0.30 -0.31 4.33 4.11 -1.98 -0.02 114.58 121.01 2h3v h GLU 73 Ca -0.11 -0.02 -0.07 0.00 0.07 0.00 0.00 59.36 59.23 2h3v h GLU 73 Cb 0.33 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 2h3v h GLU 73 CO 0.17 0.20 -0.09 0.93 0.07 0.00 0.00 179.01 180.29 2h3v h GLU 74 N 0.31 0.61 0.07 1.06 5.08 -2.00 -2.52 114.58 117.19 2h3v h GLU 74 Ca 0.42 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 2h3v h GLU 74 Cb 1.15 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 30.37 2h3v h GLU 74 CO -0.12 0.81 -0.03 1.25 -1.00 0.00 0.00 179.01 179.91 2h3v h LEU 75 N 0.38 -0.08 -0.62 1.33 6.46 -1.42 -2.78 115.31 118.58 2h3v h LEU 75 Ca 0.08 -0.16 0.11 0.00 -0.12 0.00 0.00 57.88 57.79 2h3v h LEU 75 Cb 0.59 0.02 -0.09 0.00 -0.73 0.00 0.00 40.66 40.46 2h3v h LEU 75 CO 0.03 0.11 0.17 -0.09 -0.62 0.00 0.00 178.44 178.05 2h3v h ARG 76 N -0.27 0.30 -0.30 1.25 2.43 -1.29 -1.43 114.38 115.07 2h3v h ARG 76 Ca -0.01 -0.02 0.06 0.00 -0.81 0.00 0.00 59.98 59.20 2h3v h ARG 76 Cb 0.23 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.66 2h3v h ARG 76 CO 0.02 0.20 -0.05 0.77 -1.51 0.00 0.00 179.97 179.39 2h3v h SER 77 N 0.31 -0.23 0.50 -3.80 0.02 -1.33 -0.81 113.55 108.20 2h3v h SER 77 Ca 0.33 0.08 -0.02 0.00 -0.84 0.00 0.00 61.79 61.35 2h3v h SER 77 Cb 0.48 0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.18 2h3v h SER 77 CO -0.39 -0.08 -0.36 -0.07 -1.14 0.00 0.00 176.83 174.80 2h3v h LEU 78 N 0.02 -0.92 -2.00 5.07 -0.00 -1.03 -0.46 115.31 115.99 2h3v h LEU 78 Ca 0.14 0.06 0.23 0.00 -0.00 0.00 0.00 57.88 58.32 2h3v h LEU 78 Cb 0.21 0.29 -0.03 0.00 -0.00 0.00 0.00 40.66 41.13 2h3v h LEU 78 CO -0.29 -0.54 0.57 0.22 -0.00 0.00 0.00 178.44 178.40 2h3v h TYR 79 N -0.83 0.00 0.27 1.13 3.20 -1.04 0.24 116.97 119.94 2h3v h TYR 79 Ca -0.05 0.00 -0.01 0.00 3.14 0.00 0.00 58.73 61.80 2h3v h TYR 79 Cb 0.70 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.97 2h3v h TYR 79 CO -0.14 0.00 -0.13 -0.91 -1.64 0.00 0.00 178.16 175.34 2h3v h ASN 80 N 0.00 -0.31 -0.27 -2.11 2.35 -0.28 -2.89 115.58 112.07 2h3v h ASN 80 Ca 0.37 0.01 0.04 0.00 -0.55 0.00 0.00 56.30 56.18 2h3v h ASN 80 Cb 1.51 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.92 2h3v h ASN 80 CO -0.00 0.05 0.01 0.74 -1.65 0.00 0.00 177.43 176.58 2h3v h THR 81 N -0.91 0.82 -0.22 2.81 2.02 -0.61 -0.42 112.91 116.40 2h3v h THR 81 Ca -0.04 -0.03 0.06 0.00 0.77 0.00 0.00 66.41 67.18 2h3v h THR 81 Cb 0.28 0.72 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2h3v h THR 81 CO 0.06 0.02 0.26 0.40 0.37 0.00 0.00 175.52 176.63 2h3v h ILE 82 N 0.09 0.42 0.29 3.11 2.04 -0.67 -2.06 117.51 120.73 2h3v h ILE 82 Ca 0.13 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.97 2h3v h ILE 82 Cb 0.16 0.79 0.00 0.00 -0.74 0.00 0.00 36.82 37.03 2h3v h ILE 82 CO -0.20 0.00 -0.14 0.00 0.00 0.00 0.00 178.15 177.80 2h3v h ALA 83 N 1.69 -0.40 -0.96 1.87 0.00 -0.86 0.33 119.26 120.94 2h3v h ALA 83 Ca 0.11 -0.12 0.19 0.00 0.00 0.00 0.00 54.91 55.09 2h3v h ALA 83 Cb 0.62 0.15 -0.09 0.00 0.00 0.00 0.00 17.79 18.48 2h3v h ALA 83 CO -0.00 -0.39 0.61 0.28 0.00 0.00 0.00 179.25 179.75 2h3v h VAL 84 N -1.07 0.70 0.00 0.00 2.07 -1.06 0.15 116.25 117.05 2h3v h VAL 84 Ca -0.04 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 2h3v h VAL 84 Cb 0.38 0.04 0.00 0.00 -1.52 0.00 0.00 31.29 30.19 2h3v h VAL 84 CO 0.07 0.11 -0.02 0.25 0.02 0.00 0.00 177.57 177.99 2h3v h LEU 85 N 0.61 0.02 -0.62 2.57 5.85 -1.46 -3.20 115.31 119.07 2h3v h LEU 85 Ca 0.53 -0.80 0.12 0.00 0.84 0.00 0.00 57.88 58.57 2h3v h LEU 85 Cb 1.02 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.96 2h3v h LEU 85 CO -0.28 0.81 0.16 0.22 -0.34 0.00 0.00 178.44 179.02 2h3v h TYR 86 N -0.77 0.27 -0.16 1.25 3.20 -0.14 -0.73 116.97 119.88 2h3v h TYR 86 Ca -0.00 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.95 2h3v h TYR 86 Cb 0.82 -0.02 -0.06 0.00 1.54 0.00 0.00 36.73 39.01 2h3v h TYR 86 CO 0.20 -0.00 -0.20 0.00 -1.64 0.00 0.00 178.16 176.52 2h3v h VAL 88 N -0.24 1.18 -0.22 0.00 2.07 -0.65 0.26 116.25 118.66 2h3v h VAL 88 Ca 0.11 -0.33 -0.12 0.00 0.82 0.00 0.00 66.70 67.18 2h3v h VAL 88 Cb 0.40 0.16 -0.01 0.00 -1.52 0.00 0.00 31.29 30.32 2h3v h VAL 88 CO -0.30 0.18 -0.37 0.45 0.02 0.00 0.00 177.57 177.54 2h3v h HIS 89 N 0.95 0.57 0.00 1.57 -0.00 -0.04 -3.38 115.15 114.82 2h3v h HIS 89 Ca 0.25 -0.15 0.00 0.00 -0.00 0.00 0.00 60.37 60.47 2h3v h HIS 89 Cb -0.10 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 27.18 2h3v h HIS 89 CO 0.00 0.79 0.00 0.94 -0.00 0.00 0.00 177.93 179.66 2h3v n GLN 90 N -4.05 0.00 -0.96 2.45 -0.06 0.17 -4.76 117.38 110.17 2h3v n GLN 90 Ca -0.01 0.26 -0.00 0.00 -2.00 0.00 0.00 57.00 55.25 2h3v n GLN 90 Cb 0.48 -0.77 0.00 0.00 -4.06 0.00 0.00 30.24 25.90 2h3v n GLN 90 CO 0.00 0.00 0.00 -2.13 -0.20 0.00 0.00 177.06 174.73 2h3v n ARG 91 N -1.28 0.01 -4.65 3.69 0.63 -0.61 -5.10 116.66 109.36 2h3v n ARG 91 Ca 0.00 -0.02 -0.23 0.00 -0.92 0.00 0.00 57.85 56.67 2h3v n ARG 91 Cb 0.00 0.28 -0.15 0.00 0.45 0.00 0.00 32.46 33.05 2h3v n ARG 91 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 2h3v s ILE 92 N 0.00 1.30 -0.44 5.15 1.09 0.83 -5.01 121.20 124.12 2h3v s ILE 92 Ca 0.00 -0.84 0.09 0.00 -1.10 0.00 0.00 60.65 58.80 2h3v s ILE 92 Cb 0.00 -1.11 0.40 0.00 -1.06 0.00 0.00 42.46 40.69 2h3v s ILE 92 CO -0.00 0.25 0.98 0.47 -0.10 0.00 0.00 174.94 176.54 2h3v n ASP 93 N 2.37 3.37 -4.27 3.58 8.00 -1.26 -1.91 116.55 126.42 2h3v n ASP 93 Ca -0.16 -3.39 -0.33 0.00 0.71 0.00 0.00 54.79 51.63 2h3v n ASP 93 Cb 0.54 -0.52 0.17 0.00 -0.02 0.00 0.00 41.12 41.29 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 -0.22 0.00 -0.04 2.53 0.24 -1.26 -4.96 118.33 114.62 2h3v n VAL 94 Ca 0.28 -0.29 -0.01 0.00 -2.04 0.00 0.00 64.34 62.28 2h3v n VAL 94 Cb 0.63 -0.59 -0.11 0.00 -1.47 0.00 0.00 33.84 32.30 2h3v n VAL 94 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 2h3v n LYS 95 N -1.97 1.29 -4.17 7.34 4.81 -1.26 -4.73 118.16 119.46 2h3v n LYS 95 Ca 0.00 -0.06 -0.14 0.00 -0.87 0.00 0.00 58.31 57.25 2h3v n LYS 95 Cb 0.63 -1.34 -0.11 0.00 0.02 0.00 0.00 35.03 34.24 2h3v n LYS 95 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2h3v s ASP 96 N -4.23 1.39 0.39 3.14 1.47 -1.26 -0.19 116.67 117.38 2h3v s ASP 96 Ca -0.06 -0.84 0.10 0.00 1.18 0.00 0.00 52.55 52.93 2h3v s ASP 96 Cb 0.06 0.02 0.87 0.00 -0.34 0.00 0.00 42.92 43.53 2h3v s ASP 96 CO 0.56 -0.30 1.95 0.74 0.68 0.00 0.00 175.17 178.80 2h3v h THR 97 N 3.47 0.93 0.04 2.11 2.02 -1.52 -2.15 112.91 117.82 2h3v h THR 97 Ca -0.37 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2h3v h THR 97 Cb 1.19 0.27 -0.01 0.00 -1.74 0.00 0.00 68.15 67.86 2h3v h THR 97 CO 0.55 0.11 -0.05 0.50 0.37 0.00 0.00 175.52 177.00 2h3v h LYS 98 N 0.61 -0.10 -0.66 6.66 3.64 -1.88 -0.37 116.57 124.47 2h3v h LYS 98 Ca 0.33 0.01 0.12 0.00 -1.27 0.00 0.00 60.65 59.83 2h3v h LYS 98 Cb 0.47 0.02 -0.09 0.00 -0.41 0.00 0.00 32.23 32.22 2h3v h LYS 98 CO -0.11 -0.07 0.20 0.93 -2.27 0.00 0.00 179.45 178.14 2h3v h GLU 99 N -0.10 0.34 -0.52 1.90 5.08 -1.81 -0.55 114.58 118.92 2h3v h GLU 99 Ca 0.01 -0.02 -0.09 0.00 -1.00 0.00 0.00 59.36 58.25 2h3v h GLU 99 Cb 0.10 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 2h3v h GLU 99 CO -0.02 0.22 -0.04 0.00 -1.00 0.00 0.00 179.01 178.17 2h3v h ALA 100 N 1.49 0.95 -0.88 3.43 0.00 -1.32 -2.83 119.26 120.11 2h3v h ALA 100 Ca 0.35 -0.31 0.07 0.00 0.00 0.00 0.00 54.91 55.03 2h3v h ALA 100 Cb 0.51 -0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2h3v h ALA 100 CO -0.39 0.63 0.57 1.25 0.00 0.00 0.00 179.25 181.31 2h3v h LEU 101 N 0.83 0.85 -1.33 0.00 7.12 0.52 -0.50 115.31 122.80 2h3v h LEU 101 Ca 0.15 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.11 2h3v h LEU 101 Cb 0.55 -0.17 -0.01 0.00 -0.53 0.00 0.00 40.66 40.50 2h3v h LEU 101 CO 0.03 0.54 -0.17 -0.78 -0.13 0.00 0.00 178.44 177.93 2h3v h ASP 102 N 0.96 0.23 0.08 1.25 3.58 -1.13 -2.48 116.42 118.91 2h3v h ASP 102 Ca 0.38 -0.05 -0.13 0.00 0.42 0.00 0.00 57.03 57.65 2h3v h ASP 102 Cb 0.25 -0.06 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 2h3v h ASP 102 CO -0.15 0.42 -0.45 0.11 -2.88 0.00 0.00 179.24 176.29 2h3v h LYS 103 N 0.22 0.44 -0.34 0.28 6.56 -1.06 0.36 116.57 123.04 2h3v h LYS 103 Ca 0.04 -0.24 -0.10 0.00 -1.06 0.00 0.00 60.65 59.29 2h3v h LYS 103 Cb 0.44 0.01 -0.01 0.00 -0.57 0.00 0.00 32.23 32.10 2h3v h LYS 103 CO 0.03 0.81 -0.21 0.82 -2.06 0.00 0.00 179.45 178.84 2h3v h ILE 104 N 0.36 1.27 0.03 1.86 1.08 -1.00 -2.01 117.51 119.09 2h3v h ILE 104 Ca 0.02 -1.27 -0.25 0.00 -0.39 0.00 0.00 64.86 62.98 2h3v h ILE 104 Cb 0.94 1.23 -0.03 0.00 -3.07 0.00 0.00 36.82 35.89 2h3v h ILE 104 CO 0.08 0.42 -1.24 -0.33 -0.69 0.00 0.00 178.15 176.39 2h3v h GLU 105 N 0.58 0.06 -0.36 2.37 5.08 -1.37 -3.20 114.58 117.74 2h3v h GLU 105 Ca 0.09 -0.11 -0.10 0.00 -1.00 0.00 0.00 59.36 58.24 2h3v h GLU 105 Cb 0.67 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.95 2h3v h GLU 105 CO 0.05 0.94 -0.18 1.49 -1.00 0.00 0.00 179.01 180.30 2h3v h GLU 106 N 0.02 0.67 -0.15 2.33 4.81 -0.80 0.22 114.58 121.68 2h3v h GLU 106 Ca -0.11 -0.24 -0.14 0.00 -0.13 0.00 0.00 59.36 58.74 2h3v h GLU 106 Cb 1.87 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 31.20 2h3v h GLU 106 CO 0.13 0.81 -0.51 0.93 -0.73 0.00 0.00 179.01 179.64 2h3v h GLU 107 N 0.60 0.40 0.00 1.92 5.08 -1.45 -1.76 114.58 119.37 2h3v h GLU 107 Ca 0.09 -0.23 -0.23 0.00 -1.00 0.00 0.00 59.36 57.99 2h3v h GLU 107 Cb 0.64 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.88 2h3v h GLU 107 CO 0.05 0.82 -1.16 0.37 -1.00 0.00 0.00 179.01 178.09 2h3v h GLN 108 N 0.31 0.01 -0.22 2.33 5.75 -1.50 -3.32 115.11 118.47 2h3v h GLN 108 Ca 0.01 -0.02 -0.20 0.00 -0.15 0.00 0.00 58.65 58.29 2h3v h GLN 108 Cb 1.01 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.57 2h3v h GLN 108 CO 0.09 0.91 -0.65 -0.97 -2.65 0.00 0.00 178.83 175.56 2h3v h ASN 109 N 0.00 0.94 -0.56 -0.69 -1.24 -0.50 -3.04 115.58 110.48 2h3v h ASN 109 Ca -0.07 -0.55 0.16 0.00 0.71 0.00 0.00 56.30 56.55 2h3v h ASN 109 Cb 1.83 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 40.58 2h3v h ASN 109 CO 0.12 1.35 0.44 0.50 -1.29 0.00 0.00 177.43 178.54 2h3v h LYS 110 N 0.60 0.00 0.01 6.67 3.64 -1.42 0.52 116.57 126.59 2h3v h LYS 110 Ca -0.01 0.00 -0.25 0.00 -1.27 0.00 0.00 60.65 59.11 2h3v h LYS 110 Cb 1.26 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 33.09 2h3v h LYS 110 CO 0.14 0.00 -1.02 1.03 -2.27 0.00 0.00 179.45 177.33 2h3v h SER 111 N 0.00 0.74 -0.97 4.20 0.87 -1.66 -3.25 113.55 113.47 2h3v h SER 111 Ca 0.27 -0.60 0.08 0.00 -1.23 0.00 0.00 61.79 60.31 2h3v h SER 111 Cb 1.13 -0.23 -0.07 0.00 -0.44 0.00 0.00 62.40 62.80 2h3v h SER 111 CO -0.00 1.40 0.61 0.50 -0.53 0.00 0.00 176.83 178.81 2h3v h LYS 112 N 0.31 1.04 -0.28 2.24 3.64 -0.89 -0.06 116.57 122.57 2h3v h LYS 112 Ca -0.11 -0.06 0.08 0.00 -1.27 0.00 0.00 60.65 59.29 2h3v h LYS 112 Cb 1.67 -0.23 -0.01 0.00 -0.41 0.00 0.00 32.23 33.24 2h3v h LYS 112 CO 0.19 0.69 0.21 -0.22 -2.27 0.00 0.00 179.45 178.05 2h3v h LYS 113 N 1.07 0.00 -0.56 1.90 1.63 -1.54 0.15 116.57 119.22 2h3v h LYS 113 Ca 0.44 0.00 -0.33 0.00 -0.85 0.00 0.00 60.65 59.91 2h3v h LYS 113 Cb 0.26 0.00 -0.19 0.00 -0.60 0.00 0.00 32.23 31.70 2h3v h LYS 113 CO -0.20 0.00 0.05 1.63 -3.45 0.00 0.00 179.45 177.48 2h3v n LYS 114 N -4.38 2.17 0.00 1.90 4.76 -0.08 -4.38 118.16 118.15 2h3v n LYS 114 Ca 0.04 -3.29 0.00 0.00 -2.87 0.00 0.00 58.31 52.19 2h3v n LYS 114 Cb 0.37 -1.97 0.00 0.00 -1.84 0.00 0.00 35.03 31.58 2h3v n LYS 114 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2h3v n ALA 115 N -1.07 2.46 0.04 7.82 0.00 -0.17 -4.96 120.51 124.63 2h3v n ALA 115 Ca 0.42 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.84 2h3v n ALA 115 Cb 1.10 0.04 -0.01 0.00 0.00 0.00 0.00 19.45 20.58 2h3v n ALA 115 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 2h3v h GLN 116 N 0.00 -0.13 -2.96 0.00 1.08 -1.29 -3.47 115.11 108.33 2h3v h GLN 116 Ca 0.00 0.01 -0.35 0.00 -1.45 0.00 0.00 58.65 56.86 2h3v h GLN 116 Cb 0.09 0.03 -0.04 0.00 -0.05 0.00 0.00 27.48 27.51 2h3v h GLN 116 CO 0.00 -0.09 -0.43 1.04 -0.95 0.00 0.00 178.83 178.40 2h3v n GLN 117 N -2.98 -1.81 0.00 1.46 1.13 -1.26 -4.28 117.38 109.64 2h3v n GLN 117 Ca -0.02 0.89 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 2h3v n GLN 117 Cb 0.05 -5.47 0.00 0.00 0.11 0.00 0.00 30.24 24.93 2h3v n GLN 117 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2h3v n ALA 118 N -1.58 0.00 -1.25 -1.58 0.00 -1.26 -4.95 120.51 109.88 2h3v n ALA 118 Ca -0.20 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.22 2h3v n ALA 118 Cb 0.65 0.00 0.22 0.00 0.00 0.00 0.00 19.45 20.32 2h3v n ALA 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v n ALA 119 N -0.43 3.99 -0.10 0.00 0.00 -1.26 -4.50 120.51 118.20 2h3v n ALA 119 Ca 0.00 -2.79 -0.15 0.00 0.00 0.00 0.00 53.44 50.51 2h3v n ALA 119 Cb 0.00 -0.82 -0.14 0.00 0.00 0.00 0.00 19.45 18.49 2h3v n ALA 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 2h3v n ALA 120 N -0.86 1.43 0.28 0.00 0.00 -1.26 -4.53 120.51 115.57 2h3v n ALA 120 Ca 0.32 -1.15 -0.16 0.00 0.00 0.00 0.00 53.44 52.45 2h3v n ALA 120 Cb 1.07 -0.21 -0.08 0.00 0.00 0.00 0.00 19.45 20.22 2h3v n ALA 120 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 2h3v h ASP 121 N 0.00 -0.63 -1.50 0.00 1.82 -1.99 -3.39 116.42 110.73 2h3v h ASP 121 Ca -0.54 0.03 -0.41 0.00 -0.39 0.00 0.00 57.03 55.71 2h3v h ASP 121 Cb 2.06 0.17 0.00 0.00 0.68 0.00 0.00 39.33 42.24 2h3v h ASP 121 CO -0.02 -0.43 1.43 0.42 -1.61 0.00 0.00 179.24 179.03 2h3v s THR 122 N -6.08 3.04 -0.45 2.25 -4.23 -1.26 -4.91 115.64 104.00 2h3v s THR 122 Ca -0.17 0.02 -0.09 0.00 -1.18 0.00 0.00 61.69 60.27 2h3v s THR 122 Cb 0.04 -3.11 0.10 0.00 1.34 0.00 0.00 72.50 70.88 2h3v s THR 122 CO 0.63 -0.10 0.31 -0.83 -0.54 0.00 0.00 174.62 174.09 2h3v s GLY 123 N 11.68 2.01 0.36 3.99 0.00 -1.26 -5.04 107.32 119.07 2h3v s GLY 123 Ca 0.94 -2.38 -0.27 0.00 0.00 0.00 0.00 44.72 43.01 2h3v s GLY 123 CO 0.23 1.05 1.21 -1.31 0.00 0.00 0.00 173.10 174.29 2h3v s ASN 124 N 2.46 6.67 0.78 1.64 -0.87 -1.26 -5.04 114.94 119.32 2h3v s ASN 124 Ca 0.05 2.47 -0.04 0.00 -1.57 0.00 0.00 52.86 53.76 2h3v s ASN 124 Cb -0.25 -2.63 0.14 0.00 -0.02 0.00 0.00 41.25 38.50 2h3v s ASN 124 CO 0.00 -0.58 0.94 0.59 -2.57 0.00 0.00 177.10 175.48 2h3v n ASN 125 N 0.44 0.83 -3.39 -1.22 4.13 -1.26 -5.13 115.26 109.65 2h3v n ASN 125 Ca 0.02 -1.80 -0.18 0.00 1.68 0.00 0.00 54.58 54.30 2h3v n ASN 125 Cb 0.45 -0.65 -0.07 0.00 -1.54 0.00 0.00 39.78 37.96 2h3v n ASN 125 CO 0.00 0.00 0.00 -0.44 0.28 0.00 0.00 177.26 177.10 2h3v s SER 126 N -4.68 1.42 -0.15 6.41 0.01 -1.26 -5.16 113.70 110.29 2h3v s SER 126 Ca 0.59 -1.68 -0.03 0.00 1.31 0.00 0.00 55.95 56.14 2h3v s SER 126 Cb -0.03 0.57 0.05 0.00 0.21 0.00 0.00 66.02 66.82 2h3v s SER 126 CO 0.40 -1.09 0.04 -1.10 0.41 0.00 0.00 173.24 171.89 2h3v s GLN 127 N -3.42 0.52 0.28 12.44 -1.52 -1.26 -5.14 119.66 121.57 2h3v s GLN 127 Ca 0.39 -0.20 0.03 0.00 -1.95 0.00 0.00 55.36 53.62 2h3v s GLN 127 Cb 0.02 -1.71 -0.04 0.00 -0.22 0.00 0.00 33.01 31.06 2h3v s GLN 127 CO 0.25 -0.55 0.16 0.14 -0.25 0.00 0.00 175.29 175.05 2h3v s VAL 128 N 1.95 0.24 0.02 1.09 -7.23 -1.26 -5.11 120.40 110.10 2h3v s VAL 128 Ca 0.01 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 57.88 2h3v s VAL 128 Cb -0.15 -2.52 -0.07 0.00 0.56 0.00 0.00 36.38 34.19 2h3v s VAL 128 CO -0.07 0.00 1.69 -0.55 -0.31 0.00 0.00 175.10 175.86 2h3v s SER 129 N -3.33 6.61 -0.94 4.85 0.15 -1.26 -4.92 113.70 114.86 2h3v s SER 129 Ca 0.37 2.41 -0.00 0.00 0.70 0.00 0.00 55.95 59.43 2h3v s SER 129 Cb 0.05 -2.55 0.31 0.00 -1.71 0.00 0.00 66.02 62.13 2h3v s SER 129 CO 0.17 -0.92 1.47 0.00 1.20 0.00 0.00 173.24 175.16 2h3v n GLN 130 N 6.41 4.49 -3.43 5.44 6.02 -1.26 -4.74 117.38 130.30 2h3v n GLN 130 Ca 0.17 -4.66 -0.20 0.00 -0.01 0.00 0.00 57.00 52.29 2h3v n GLN 130 Cb 0.41 -2.43 0.07 0.00 1.02 0.00 0.00 30.24 29.32 2h3v n GLN 130 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 2h3v n ASN 131 N 0.48 -5.61 -0.26 1.08 2.85 -1.26 -5.35 115.26 107.18 2h3v n ASN 131 Ca 0.36 -0.47 0.15 0.00 -0.11 0.00 0.00 54.58 54.51 2h3v n ASN 131 Cb 0.32 -4.40 0.72 0.00 1.24 0.00 0.00 39.78 37.65 2h3v n ASN 131 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15