#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hax s PRO 5 N 0.00 1.85 0.22 1.97 0.02 -1.26 -4.91 135.00 132.88 3hax s PRO 5 Ca 0.00 1.68 0.21 0.00 0.02 0.00 0.00 61.00 62.91 3hax s PRO 5 Cb 0.00 -1.81 0.92 0.00 0.02 0.00 0.00 34.50 33.63 3hax s PRO 5 CO 0.00 -2.04 1.64 -1.13 -0.33 0.00 0.00 177.00 175.14 3hax n SER 6 N -3.16 0.52 -0.00 2.53 3.41 -1.26 -1.69 113.62 113.97 3hax n SER 6 Ca 0.13 0.65 0.14 0.00 -0.26 0.00 0.00 58.87 59.53 3hax n SER 6 Cb 0.51 -0.75 0.62 0.00 -0.26 0.00 0.00 64.21 64.33 3hax n SER 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3hax n TYR 7 N -2.10 0.00 -2.84 7.33 0.18 -1.26 -4.64 117.16 113.82 3hax n TYR 7 Ca 0.02 0.00 -0.43 0.00 1.88 0.00 0.00 57.90 59.37 3hax n TYR 7 Cb 0.18 -0.44 -0.04 0.00 -0.38 0.00 0.00 39.34 38.66 3hax n TYR 7 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hax s VAL 8 N -2.92 4.43 -0.28 -3.48 1.01 -0.68 -4.90 120.40 113.57 3hax s VAL 8 Ca 0.17 0.40 0.22 0.00 0.00 0.00 0.00 61.98 62.76 3hax s VAL 8 Cb 0.19 -4.50 0.09 0.00 0.00 0.00 0.00 36.38 32.17 3hax s VAL 8 CO 0.53 -1.02 1.21 0.11 0.00 0.00 0.00 175.10 175.93 3hax h LYS 9 N 9.23 0.00 -3.70 2.72 1.57 -1.87 -3.48 116.57 121.05 3hax h LYS 9 Ca -0.26 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.45 3hax h LYS 9 Cb 1.07 0.00 -0.13 0.00 0.08 0.00 0.00 32.23 33.25 3hax h LYS 9 CO 1.06 0.04 -0.26 -0.59 -0.57 0.00 0.00 179.45 179.13 3hax s PHE 10 N -3.27 0.11 -0.18 -1.35 -0.12 -1.26 -5.08 117.98 106.84 3hax s PHE 10 Ca 0.02 -0.50 -0.22 0.00 -0.05 0.00 0.00 56.93 56.18 3hax s PHE 10 Cb 0.08 0.05 -0.02 0.00 -0.63 0.00 0.00 43.02 42.49 3hax s PHE 10 CO 0.75 -0.65 0.67 -2.00 -0.05 0.00 0.00 175.22 173.94 3hax s GLU 11 N -3.88 4.25 -0.25 1.99 2.56 -1.26 -4.98 118.70 117.13 3hax s GLU 11 Ca 0.08 0.71 -0.09 0.00 0.00 0.00 0.00 54.97 55.67 3hax s GLU 11 Cb 0.03 -3.56 -0.04 0.00 2.00 0.00 0.00 34.13 32.56 3hax s GLU 11 CO -0.08 -0.22 0.12 0.08 -0.56 0.00 0.00 175.26 174.60 3hax s VAL 12 N 1.81 4.79 0.54 3.70 1.01 -1.26 -5.08 120.40 125.91 3hax s VAL 12 Ca 0.31 -0.01 -0.21 0.00 0.00 0.00 0.00 61.98 62.07 3hax s VAL 12 Cb -0.16 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.92 3hax s VAL 12 CO 0.11 0.32 1.27 -2.84 0.00 0.00 0.00 175.10 173.96 3hax s PRO 13 N 1.49 3.25 0.27 2.72 0.02 -1.26 -4.82 135.00 136.66 3hax s PRO 13 Ca 0.06 2.00 -0.01 0.00 0.02 0.00 0.00 61.00 63.08 3hax s PRO 13 Cb -0.15 -2.20 0.61 0.00 0.02 0.00 0.00 34.50 32.77 3hax s PRO 13 CO 0.06 -1.03 1.67 -0.22 -0.33 0.00 0.00 177.00 177.14 3hax h LYS 14 N 1.45 0.25 -0.77 5.54 3.64 -1.99 -1.38 116.57 123.30 3hax h LYS 14 Ca -0.50 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 58.82 3hax h LYS 14 Cb 1.29 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 33.02 3hax h LYS 14 CO 0.57 0.17 0.32 0.93 -2.27 0.00 0.00 179.45 179.17 3hax h GLU 15 N 0.26 1.15 -0.13 1.90 3.07 -2.00 -2.00 114.58 116.84 3hax h GLU 15 Ca 0.50 -0.20 -0.19 0.00 -0.50 0.00 0.00 59.36 58.97 3hax h GLU 15 Cb 0.93 -0.19 -0.00 0.00 -0.84 0.00 0.00 28.75 28.65 3hax h GLU 15 CO -0.58 0.92 -0.69 1.25 -1.40 0.00 0.00 179.01 178.51 3hax h LEU 16 N 1.11 0.63 -0.72 1.33 5.85 -1.65 -2.48 115.31 119.37 3hax h LEU 16 Ca 0.26 -0.39 -0.08 0.00 0.84 0.00 0.00 57.88 58.51 3hax h LEU 16 Cb 0.19 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.02 3hax h LEU 16 CO -0.02 1.14 0.05 0.00 -0.34 0.00 0.00 178.44 179.27 3hax h ALA 17 N 0.86 0.94 -0.19 1.25 0.00 -1.21 -2.01 119.26 118.89 3hax h ALA 17 Ca -0.02 -0.28 -0.10 0.00 0.00 0.00 0.00 54.91 54.50 3hax h ALA 17 Cb 1.27 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.81 3hax h ALA 17 CO 0.13 0.65 -0.33 0.93 0.00 0.00 0.00 179.25 180.63 3hax h GLU 18 N 0.96 0.38 -0.24 0.00 4.39 -1.32 -2.47 114.58 116.28 3hax h GLU 18 Ca 0.18 -0.16 -0.10 0.00 0.34 0.00 0.00 59.36 59.62 3hax h GLU 18 Cb 0.48 -0.01 -0.01 0.00 -0.10 0.00 0.00 28.75 29.10 3hax h GLU 18 CO 0.02 0.67 -0.28 0.87 -1.16 0.00 0.00 179.01 179.12 3hax h LYS 19 N 0.33 0.47 -0.40 2.33 1.57 -1.23 -1.05 116.57 118.58 3hax h LYS 19 Ca 0.04 -0.19 -0.04 0.00 -1.87 0.00 0.00 60.65 58.60 3hax h LYS 19 Cb 0.74 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 33.01 3hax h LYS 19 CO 0.06 0.71 0.09 0.00 -0.57 0.00 0.00 179.45 179.74 3hax h ALA 20 N 1.29 0.53 -0.55 3.86 0.00 -1.04 0.21 119.26 123.55 3hax h ALA 20 Ca 0.06 -0.20 -0.09 0.00 0.00 0.00 0.00 54.91 54.68 3hax h ALA 20 Cb 0.71 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3hax h ALA 20 CO 0.05 0.21 -0.02 -0.07 0.00 0.00 0.00 179.25 179.43 3hax h LEU 21 N 0.51 0.94 -0.61 0.00 3.38 -1.37 -2.15 115.31 116.02 3hax h LEU 21 Ca 0.13 -0.26 0.01 0.00 0.09 0.00 0.00 57.88 57.84 3hax h LEU 21 Cb 0.32 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.79 3hax h LEU 21 CO 0.00 1.01 0.39 -0.61 0.09 0.00 0.00 178.44 179.33 3hax h GLN 22 N 0.88 0.78 -0.39 1.13 4.15 -1.00 -1.68 115.11 118.98 3hax h GLN 22 Ca 0.16 -0.05 -0.06 0.00 0.77 0.00 0.00 58.65 59.48 3hax h GLN 22 Cb 0.54 -0.18 -0.02 0.00 0.21 0.00 0.00 27.48 28.04 3hax h GLN 22 CO 0.03 0.51 0.01 0.00 -1.93 0.00 0.00 178.83 177.45 3hax h ALA 23 N 1.23 1.29 -0.30 3.38 0.00 -0.73 -1.36 119.26 122.77 3hax h ALA 23 Ca 0.23 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 3hax h ALA 23 Cb -0.07 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 3hax h ALA 23 CO -0.06 0.48 -0.10 0.28 0.00 0.00 0.00 179.25 179.85 3hax h VAL 24 N 0.58 1.29 -0.60 0.00 2.07 -1.11 -1.15 116.25 117.33 3hax h VAL 24 Ca 0.12 -1.16 -0.01 0.00 0.82 0.00 0.00 66.70 66.48 3hax h VAL 24 Cb 0.36 1.41 -0.03 0.00 -1.52 0.00 0.00 31.29 31.51 3hax h VAL 24 CO 0.01 0.37 0.35 -0.33 0.02 0.00 0.00 177.57 177.99 3hax h GLU 25 N 0.37 0.82 -0.17 1.57 5.08 -1.04 0.76 114.58 121.96 3hax h GLU 25 Ca 0.07 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.27 3hax h GLU 25 Cb 0.60 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3hax h GLU 25 CO 0.03 0.60 -0.22 0.82 -1.00 0.00 0.00 179.01 179.24 3hax h ILE 26 N 0.81 1.34 -0.04 3.13 2.04 -1.25 -2.81 117.51 120.73 3hax h ILE 26 Ca 0.21 -1.42 -0.07 0.00 1.00 0.00 0.00 64.86 64.58 3hax h ILE 26 Cb 0.00 1.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.94 3hax h ILE 26 CO -0.04 0.43 -0.30 0.00 0.00 0.00 0.00 178.15 178.24 3hax h ALA 27 N 0.61 1.43 -0.70 1.87 0.00 -1.15 0.92 119.26 122.24 3hax h ALA 27 Ca 0.02 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.65 3hax h ALA 27 Cb 0.79 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 3hax h ALA 27 CO 0.05 0.42 0.46 -0.09 0.00 0.00 0.00 179.25 180.09 3hax h ARG 28 N 0.07 0.90 0.04 0.00 2.43 -0.77 0.26 114.38 117.30 3hax h ARG 28 Ca 0.01 -0.05 -0.28 0.00 -0.81 0.00 0.00 59.98 58.84 3hax h ARG 28 Cb 0.57 -0.20 -0.03 0.00 -0.42 0.00 0.00 29.97 29.88 3hax h ARG 28 CO 0.04 0.59 -1.53 -0.44 -1.51 0.00 0.00 179.97 177.12 3hax h ASP 29 N 0.92 0.14 0.00 -3.80 3.32 -1.17 -3.41 116.42 112.43 3hax h ASP 29 Ca 0.26 -0.23 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3hax h ASP 29 Cb -0.08 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.42 3hax h ASP 29 CO -0.07 1.20 -0.60 0.35 -1.72 0.00 0.00 179.24 178.41 3hax n THR 30 N -3.26 0.00 0.00 0.35 -2.24 0.27 -5.06 114.28 104.34 3hax n THR 30 Ca -0.14 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 3hax n THR 30 Cb 1.03 0.72 0.00 0.00 -2.10 0.00 0.00 70.33 69.98 3hax n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hax n GLY 31 N 1.73 3.69 2.94 3.38 0.00 0.05 -4.57 105.19 112.41 3hax n GLY 31 Ca -0.00 -0.51 -0.13 0.00 0.00 0.00 0.00 46.02 45.38 3hax n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hax s LYS 32 N 4.22 0.10 0.20 1.61 2.20 0.23 -4.79 119.74 123.51 3hax s LYS 32 Ca 0.00 0.29 0.04 0.00 -0.36 0.00 0.00 55.97 55.95 3hax s LYS 32 Cb 0.00 -0.10 -0.05 0.00 -1.51 0.00 0.00 37.83 36.17 3hax s LYS 32 CO 0.00 -0.11 -0.05 0.96 -0.36 0.00 0.00 175.35 175.79 3hax s ILE 33 N 0.79 1.16 -0.06 5.43 -4.36 -1.26 -1.05 121.20 121.85 3hax s ILE 33 Ca -0.06 -2.06 0.05 0.00 -0.26 0.00 0.00 60.65 58.32 3hax s ILE 33 Cb -0.08 -2.17 -0.00 0.00 1.25 0.00 0.00 42.46 41.46 3hax s ILE 33 CO -0.04 -0.48 -0.21 -0.13 0.24 0.00 0.00 174.94 174.32 3hax s ARG 34 N -3.80 2.31 -0.03 0.37 1.81 0.42 -4.90 118.95 115.13 3hax s ARG 34 Ca 0.24 -0.76 0.05 0.00 -1.72 0.00 0.00 55.73 53.53 3hax s ARG 34 Cb 0.04 -1.92 -0.01 0.00 -0.45 0.00 0.00 34.95 32.61 3hax s ARG 34 CO 0.06 0.27 -0.17 -1.59 -0.68 0.00 0.00 175.30 173.20 3hax s LYS 35 N 0.05 1.51 0.00 3.54 0.00 -1.26 -0.59 119.74 122.98 3hax s LYS 35 Ca -0.07 -0.59 0.00 0.00 0.00 0.00 0.00 55.97 55.31 3hax s LYS 35 Cb -0.14 -1.39 0.00 0.00 0.00 0.00 0.00 37.83 36.30 3hax s LYS 35 CO 0.04 0.30 0.00 0.41 0.00 0.00 0.00 175.35 176.10 3hax n GLY 36 N 2.89 2.33 0.24 0.59 0.00 -0.45 -4.70 105.19 106.09 3hax n GLY 36 Ca -0.16 -1.74 -0.08 0.00 0.00 0.00 0.00 46.02 44.03 3hax n GLY 36 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hax h THR 37 N 0.00 1.28 0.09 2.61 2.02 -1.95 -1.13 112.91 115.84 3hax h THR 37 Ca 0.00 -1.48 -0.00 0.00 0.77 0.00 0.00 66.41 65.70 3hax h THR 37 Cb 0.00 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 3hax h THR 37 CO 0.00 0.48 -0.05 -1.13 0.37 0.00 0.00 175.52 175.19 3hax h ASN 38 N 0.57 -0.11 -0.49 4.18 -1.24 -1.94 0.98 115.58 117.53 3hax h ASN 38 Ca 0.06 -0.19 0.07 0.00 0.71 0.00 0.00 56.30 56.95 3hax h ASN 38 Cb 0.85 0.03 -0.06 0.00 0.73 0.00 0.00 38.32 39.87 3hax h ASN 38 CO 0.07 0.13 0.16 -0.33 -1.29 0.00 0.00 177.43 176.18 3hax h GLU 39 N -0.35 0.32 -0.38 6.67 5.08 -1.83 -0.94 114.58 123.15 3hax h GLU 39 Ca -0.01 -0.02 -0.02 0.00 -1.00 0.00 0.00 59.36 58.31 3hax h GLU 39 Cb 0.29 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 3hax h GLU 39 CO 0.02 0.21 0.15 1.15 -1.00 0.00 0.00 179.01 179.54 3hax h THR 40 N 0.33 1.19 -0.42 1.13 2.02 -1.13 -1.39 112.91 114.64 3hax h THR 40 Ca 0.24 -0.60 -0.02 0.00 0.77 0.00 0.00 66.41 66.81 3hax h THR 40 Cb 0.27 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.53 3hax h THR 40 CO -0.26 0.21 0.20 0.74 0.37 0.00 0.00 175.52 176.79 3hax h THR 41 N 0.47 1.18 -0.73 3.16 2.02 -0.55 -2.04 112.91 116.42 3hax h THR 41 Ca 0.13 -0.50 -0.03 0.00 0.77 0.00 0.00 66.41 66.78 3hax h THR 41 Cb 0.19 0.74 -0.03 0.00 -1.74 0.00 0.00 68.15 67.31 3hax h THR 41 CO -0.01 0.19 0.36 0.11 0.37 0.00 0.00 175.52 176.54 3hax h LYS 42 N 0.53 1.05 -1.00 6.66 1.79 -1.08 -1.41 116.57 123.12 3hax h LYS 42 Ca 0.14 -0.15 0.06 0.00 -2.18 0.00 0.00 60.65 58.52 3hax h LYS 42 Cb 0.12 -0.19 -0.06 0.00 -1.58 0.00 0.00 32.23 30.51 3hax h LYS 42 CO -0.02 0.82 0.65 0.00 -1.08 0.00 0.00 179.45 179.82 3hax h ALA 43 N 1.18 1.39 0.09 3.86 0.00 -1.02 -0.50 119.26 124.26 3hax h ALA 43 Ca 0.25 -0.03 -0.00 0.00 0.00 0.00 0.00 54.91 55.13 3hax h ALA 43 Cb 0.11 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.58 3hax h ALA 43 CO -0.03 0.47 -0.04 0.28 0.00 0.00 0.00 179.25 179.93 3hax h VAL 44 N 1.20 1.12 0.00 0.00 2.07 -0.94 0.16 116.25 119.85 3hax h VAL 44 Ca 0.42 -0.82 -0.06 0.00 0.82 0.00 0.00 66.70 67.07 3hax h VAL 44 Cb 0.12 1.64 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 3hax h VAL 44 CO -0.16 0.20 -0.27 1.05 0.02 0.00 0.00 177.57 178.41 3hax h GLU 45 N -0.50 0.00 -0.00 1.57 4.11 -1.10 -1.32 114.58 117.33 3hax h GLU 45 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.42 3hax h GLU 45 Cb 0.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.67 3hax h GLU 45 CO 0.02 0.27 -0.09 0.54 0.07 0.00 0.00 179.01 179.82 3hax n ARG 46 N -3.90 0.41 -2.59 1.06 1.74 -0.21 -4.94 116.66 108.22 3hax n ARG 46 Ca -0.02 -0.09 -0.09 0.00 -0.77 0.00 0.00 57.85 56.89 3hax n ARG 46 Cb 0.35 -1.50 0.02 0.00 -1.02 0.00 0.00 32.46 30.31 3hax n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hax n GLY 47 N 1.34 0.24 0.02 -0.13 0.00 -0.50 -4.95 105.19 101.21 3hax n GLY 47 Ca 0.12 -0.42 0.04 0.00 0.00 0.00 0.00 46.02 45.76 3hax n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hax n GLN 48 N -2.02 0.79 -2.36 1.61 6.02 0.52 -4.99 117.38 116.95 3hax n GLN 48 Ca -0.04 -0.10 -0.42 0.00 -0.01 0.00 0.00 57.00 56.43 3hax n GLN 48 Cb 0.54 -1.35 -0.03 0.00 1.02 0.00 0.00 30.24 30.42 3hax n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hax s ALA 49 N -2.84 3.44 -0.09 -1.58 0.00 -1.09 -4.53 121.76 115.08 3hax s ALA 49 Ca -0.06 0.93 -0.01 0.00 0.00 0.00 0.00 51.96 52.83 3hax s ALA 49 Cb 0.08 -3.45 -0.25 0.00 0.00 0.00 0.00 23.12 19.50 3hax s ALA 49 CO 0.60 -0.44 0.50 0.87 0.00 0.00 0.00 175.76 177.28 3hax h LYS 50 N 6.25 0.19 -2.77 0.00 1.79 -0.61 -3.48 116.57 117.94 3hax h LYS 50 Ca -0.43 -0.32 -0.13 0.00 -2.18 0.00 0.00 60.65 57.60 3hax h LYS 50 Cb 1.21 0.12 -0.25 0.00 -1.58 0.00 0.00 32.23 31.73 3hax h LYS 50 CO 0.80 0.99 -0.27 -1.17 -1.08 0.00 0.00 179.45 178.71 3hax s LEU 51 N -6.75 0.38 -0.15 2.94 2.96 -1.19 -4.37 118.68 112.49 3hax s LEU 51 Ca -0.16 0.80 -0.03 0.00 -0.22 0.00 0.00 54.13 54.52 3hax s LEU 51 Cb 0.07 1.32 -0.02 0.00 0.50 0.00 0.00 46.19 48.06 3hax s LEU 51 CO 0.79 -0.15 -0.06 -0.69 -1.32 0.00 0.00 176.35 174.93 3hax s VAL 52 N 0.48 3.64 -0.16 1.68 1.01 -0.63 -0.89 120.40 125.52 3hax s VAL 52 Ca -0.02 -0.45 -0.02 0.00 0.00 0.00 0.00 61.98 61.49 3hax s VAL 52 Cb -0.04 -2.58 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 3hax s VAL 52 CO -0.02 0.49 -0.07 -0.63 0.00 0.00 0.00 175.10 174.87 3hax s ILE 53 N 0.46 3.42 -0.10 2.22 1.09 0.85 -0.54 121.20 128.61 3hax s ILE 53 Ca -0.05 -0.51 0.02 0.00 -1.10 0.00 0.00 60.65 59.01 3hax s ILE 53 Cb -0.15 -2.49 0.01 0.00 -1.06 0.00 0.00 42.46 38.77 3hax s ILE 53 CO 0.03 0.48 -0.16 -0.63 -0.10 0.00 0.00 174.94 174.57 3hax s ILE 54 N 0.68 1.53 0.46 2.92 1.01 0.41 -0.83 121.20 127.38 3hax s ILE 54 Ca -0.04 -0.68 -0.22 0.00 0.00 0.00 0.00 60.65 59.71 3hax s ILE 54 Cb -0.15 -1.39 -0.08 0.00 0.01 0.00 0.00 42.46 40.86 3hax s ILE 54 CO 0.02 0.45 1.12 0.00 0.00 0.00 0.00 174.94 176.53 3hax s ALA 55 N 0.84 2.96 -1.41 9.38 0.00 -0.46 -1.32 121.76 131.76 3hax s ALA 55 Ca -0.10 0.83 0.26 0.00 0.00 0.00 0.00 51.96 52.95 3hax s ALA 55 Cb -0.15 -3.34 0.62 0.00 0.00 0.00 0.00 23.12 20.24 3hax s ALA 55 CO 0.01 -0.52 1.48 0.39 0.00 0.00 0.00 175.76 177.12 3hax n GLU 56 N -0.53 0.45 -1.31 0.00 1.02 0.27 -4.22 120.64 116.32 3hax n GLU 56 Ca 0.07 -0.27 -0.16 0.00 -0.02 0.00 0.00 57.16 56.78 3hax n GLU 56 Cb 0.49 -1.49 0.12 0.00 -0.02 0.00 0.00 31.44 30.54 3hax n GLU 56 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hax n ASP 57 N -1.04 4.14 -4.68 1.62 5.75 -1.25 -4.56 116.55 116.54 3hax n ASP 57 Ca 0.09 -3.79 -0.42 0.00 -0.01 0.00 0.00 54.79 50.67 3hax n ASP 57 Cb 0.34 -0.59 -0.04 0.00 -1.03 0.00 0.00 41.12 39.80 3hax n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hax s VAL 58 N -3.98 4.87 -0.04 2.12 1.01 -1.26 -4.91 120.40 118.21 3hax s VAL 58 Ca 0.50 1.72 -0.01 0.00 0.00 0.00 0.00 61.98 64.19 3hax s VAL 58 Cb 0.43 -4.18 0.03 0.00 0.00 0.00 0.00 36.38 32.66 3hax s VAL 58 CO 0.01 0.03 0.05 -0.62 0.00 0.00 0.00 175.10 174.57 3hax s ASP 59 N 1.12 0.91 0.60 3.32 2.15 -1.26 -3.65 116.67 119.85 3hax s ASP 59 Ca 0.41 0.06 -0.16 0.00 0.43 0.00 0.00 52.55 53.28 3hax s ASP 59 Cb -0.17 -0.15 -0.03 0.00 -0.30 0.00 0.00 42.92 42.27 3hax s ASP 59 CO 0.14 -0.21 1.08 -2.16 -0.17 0.00 0.00 175.17 173.85 3hax s PRO 60 N 1.88 3.20 0.55 4.34 0.04 -1.26 -5.05 135.00 138.70 3hax s PRO 60 Ca 0.01 1.32 0.26 0.00 0.04 0.00 0.00 61.00 62.63 3hax s PRO 60 Cb -0.12 -2.01 1.46 0.00 0.04 0.00 0.00 34.50 33.87 3hax s PRO 60 CO -0.03 -0.92 2.02 0.93 0.04 0.00 0.00 177.00 179.04 3hax h GLU 61 N 0.50 0.00 -0.01 4.56 5.08 -2.00 -2.79 114.58 119.91 3hax h GLU 61 Ca -0.47 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 57.89 3hax h GLU 61 Cb 1.23 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.48 3hax h GLU 61 CO 0.56 0.00 0.04 0.93 -1.00 0.00 0.00 179.01 179.54 3hax h GLU 62 N 0.00 0.00 -1.01 2.33 3.07 -1.98 -1.46 114.58 115.54 3hax h GLU 62 Ca 0.18 0.00 0.02 0.00 -0.50 0.00 0.00 59.36 59.06 3hax h GLU 62 Cb 0.81 0.00 -0.05 0.00 -0.84 0.00 0.00 28.75 28.67 3hax h GLU 62 CO -0.00 0.00 0.66 0.82 -1.40 0.00 0.00 179.01 179.09 3hax h ILE 63 N 0.00 1.24 0.00 3.13 5.03 -1.88 -3.31 117.51 121.71 3hax h ILE 63 Ca 0.01 -0.46 0.00 0.00 -0.12 0.00 0.00 64.86 64.29 3hax h ILE 63 Cb 0.09 -0.22 0.00 0.00 -3.03 0.00 0.00 36.82 33.66 3hax h ILE 63 CO -0.00 0.24 0.00 1.33 -0.68 0.00 0.00 178.15 179.04 3hax n VAL 64 N -4.40 0.00 0.26 1.67 0.24 -0.94 -4.79 118.33 110.38 3hax n VAL 64 Ca 0.12 -0.48 0.10 0.00 -2.04 0.00 0.00 64.34 62.04 3hax n VAL 64 Cb 0.03 1.04 0.69 0.00 -1.47 0.00 0.00 33.84 34.13 3hax n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hax h ALA 65 N 0.00 1.72 0.00 2.33 0.00 -1.37 -1.69 119.26 120.25 3hax h ALA 65 Ca 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3hax h ALA 65 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3hax h ALA 65 CO 0.00 0.08 0.00 1.12 0.00 0.00 0.00 179.25 180.45 3hax h HIS 66 N 0.00 0.00 -0.10 0.00 2.07 -1.87 -3.38 115.15 111.88 3hax h HIS 66 Ca -0.00 0.00 -0.02 0.00 -2.85 0.00 0.00 60.37 57.50 3hax h HIS 66 Cb 0.12 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 30.10 3hax h HIS 66 CO 0.00 0.00 -0.03 -0.07 -3.07 0.00 0.00 177.93 174.76 3hax h LEU 67 N 0.00 0.19 -0.17 6.12 3.38 -1.66 -1.91 115.31 121.26 3hax h LEU 67 Ca 0.00 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.63 3hax h LEU 67 Cb 0.75 -0.05 -0.04 0.00 0.09 0.00 0.00 40.66 41.41 3hax h LEU 67 CO 0.00 0.53 -0.07 -0.65 0.09 0.00 0.00 178.44 178.34 3hax h PRO 68 N -0.15 -0.04 -0.16 1.13 0.11 -1.75 0.12 132.00 131.27 3hax h PRO 68 Ca 0.02 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.10 3hax h PRO 68 Cb 0.45 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.55 3hax h PRO 68 CO 0.01 -0.03 -0.07 -1.35 -0.21 0.00 0.00 178.00 176.36 3hax h PRO 69 N -0.04 0.24 -0.15 1.05 0.11 -1.79 -1.62 132.00 129.80 3hax h PRO 69 Ca 0.09 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.11 3hax h PRO 69 Cb 0.17 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 3hax h PRO 69 CO -0.19 0.33 -0.09 1.25 -0.21 0.00 0.00 178.00 179.08 3hax h LEU 70 N 0.24 0.34 -0.83 2.35 6.46 -0.96 -2.14 115.31 120.77 3hax h LEU 70 Ca 0.05 -0.43 -0.01 0.00 -0.12 0.00 0.00 57.88 57.37 3hax h LEU 70 Cb 0.28 -0.09 -0.04 0.00 -0.73 0.00 0.00 40.66 40.07 3hax h LEU 70 CO 0.01 0.70 0.49 0.00 -0.62 0.00 0.00 178.44 179.02 3hax h GLU 72 N 1.14 1.16 -0.68 0.00 5.08 -1.29 0.21 114.58 120.20 3hax h GLU 72 Ca 0.30 -0.22 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 3hax h GLU 72 Cb -0.02 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 29.02 3hax h GLU 72 CO -0.05 0.96 0.13 1.49 -1.00 0.00 0.00 179.01 180.54 3hax h GLU 73 N 1.13 1.11 -0.03 2.33 4.81 -1.02 -3.02 114.58 119.89 3hax h GLU 73 Ca 0.25 -0.29 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3hax h GLU 73 Cb 0.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3hax h GLU 73 CO -0.02 1.00 0.00 1.63 -0.73 0.00 0.00 179.01 180.90 3hax n LYS 74 N -4.23 1.57 -2.95 1.92 4.76 -0.41 -4.93 118.16 113.88 3hax n LYS 74 Ca 0.05 -0.84 -0.18 0.00 -2.87 0.00 0.00 58.31 54.47 3hax n LYS 74 Cb 0.28 -1.47 0.04 0.00 -1.84 0.00 0.00 35.03 32.03 3hax n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hax n GLU 75 N 0.02 -4.33 -4.08 1.97 -0.58 0.15 -5.01 120.64 108.79 3hax n GLU 75 Ca 0.19 0.71 -0.35 0.00 -0.42 0.00 0.00 57.16 57.29 3hax n GLU 75 Cb 0.31 -5.18 -0.13 0.00 -0.57 0.00 0.00 31.44 25.88 3hax n GLU 75 CO 0.00 0.00 0.00 0.42 -0.48 0.00 0.00 177.13 177.07 3hax s ILE 76 N -3.08 3.85 0.46 -3.67 1.01 0.50 -5.02 121.20 115.25 3hax s ILE 76 Ca 0.28 -0.35 -0.24 0.00 0.00 0.00 0.00 60.65 60.34 3hax s ILE 76 Cb -0.12 -2.74 -0.07 0.00 0.01 0.00 0.00 42.46 39.53 3hax s ILE 76 CO 0.35 0.43 1.33 -2.16 0.00 0.00 0.00 174.94 174.88 3hax s PRO 77 N 1.04 3.65 0.07 2.79 0.04 -1.26 -4.39 135.00 136.95 3hax s PRO 77 Ca 0.02 2.18 0.03 0.00 0.04 0.00 0.00 61.00 63.27 3hax s PRO 77 Cb -0.14 -2.55 -0.03 0.00 0.04 0.00 0.00 34.50 31.81 3hax s PRO 77 CO 0.01 -0.76 -0.09 1.52 0.04 0.00 0.00 177.00 177.72 3hax s TYR 78 N -1.30 0.90 0.02 0.56 -0.85 -1.26 -1.60 117.35 113.82 3hax s TYR 78 Ca 0.63 -0.63 -0.00 0.00 -0.52 0.00 0.00 57.07 56.55 3hax s TYR 78 Cb -0.39 -0.51 -0.02 0.00 0.38 0.00 0.00 41.96 41.42 3hax s TYR 78 CO 0.48 -0.05 -0.03 -1.50 -1.52 0.00 0.00 175.55 172.93 3hax s ILE 79 N -2.15 0.12 -0.10 -3.49 1.10 0.30 -4.95 121.20 112.04 3hax s ILE 79 Ca 0.00 -1.01 -0.03 0.00 -0.51 0.00 0.00 60.65 59.10 3hax s ILE 79 Cb -0.05 -0.41 -0.03 0.00 0.15 0.00 0.00 42.46 42.12 3hax s ILE 79 CO -0.00 -0.56 0.03 -0.31 -2.11 0.00 0.00 174.94 171.99 3hax s TYR 80 N -1.75 3.26 0.13 3.50 1.51 -1.26 -0.45 117.35 122.29 3hax s TYR 80 Ca -0.13 0.24 0.11 0.00 -1.01 0.00 0.00 57.07 56.28 3hax s TYR 80 Cb -0.08 -1.85 -0.04 0.00 -0.11 0.00 0.00 41.96 39.89 3hax s TYR 80 CO -0.02 0.49 -0.27 0.14 -1.11 0.00 0.00 175.55 174.78 3hax s VAL 81 N -0.79 2.25 0.33 0.71 -7.23 -0.44 -4.69 120.40 110.54 3hax s VAL 81 Ca 0.12 -1.74 0.22 0.00 -1.81 0.00 0.00 61.98 58.77 3hax s VAL 81 Cb -0.12 -1.99 0.22 0.00 0.56 0.00 0.00 36.38 35.06 3hax s VAL 81 CO 0.02 0.10 1.94 1.55 -0.31 0.00 0.00 175.10 178.40 3hax h PRO 82 N 3.91 0.00 -3.89 4.82 0.13 -1.93 0.77 132.00 135.81 3hax h PRO 82 Ca -0.51 0.00 -0.42 0.00 -0.87 0.00 0.00 66.00 64.20 3hax h PRO 82 Cb 1.17 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.94 3hax h PRO 82 CO 0.39 0.22 -0.77 0.45 -0.23 0.00 0.00 178.00 178.06 3hax s SER 83 N -6.37 1.19 0.23 1.44 0.15 -1.26 -3.91 113.70 105.17 3hax s SER 83 Ca -0.02 -0.11 0.01 0.00 0.70 0.00 0.00 55.95 56.53 3hax s SER 83 Cb 0.13 -0.45 0.24 0.00 -1.71 0.00 0.00 66.02 64.23 3hax s SER 83 CO 0.64 -0.11 1.58 0.07 1.20 0.00 0.00 173.24 176.61 3hax h LYS 84 N 7.64 0.39 -0.43 5.44 2.10 -1.86 -1.28 116.57 128.57 3hax h LYS 84 Ca -0.31 -0.23 -0.03 0.00 -2.00 0.00 0.00 60.65 58.07 3hax h LYS 84 Cb 1.14 0.02 -0.02 0.00 -0.90 0.00 0.00 32.23 32.47 3hax h LYS 84 CO 0.39 0.82 0.15 -0.22 -2.00 0.00 0.00 179.45 178.59 3hax h LYS 85 N 0.31 0.66 -0.59 0.07 1.63 -1.90 0.47 116.57 117.22 3hax h LYS 85 Ca 0.01 -0.13 -0.06 0.00 -0.85 0.00 0.00 60.65 59.62 3hax h LYS 85 Cb 1.01 -0.10 -0.03 0.00 -0.60 0.00 0.00 32.23 32.51 3hax h LYS 85 CO 0.09 0.63 0.13 1.49 -3.45 0.00 0.00 179.45 178.34 3hax h GLU 86 N 0.55 0.91 -0.43 1.90 4.81 -1.92 -0.15 114.58 120.26 3hax h GLU 86 Ca 0.14 -0.20 -0.14 0.00 -0.13 0.00 0.00 59.36 59.03 3hax h GLU 86 Cb 0.23 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.47 3hax h GLU 86 CO -0.01 0.82 -0.27 1.25 -0.73 0.00 0.00 179.01 180.07 3hax h LEU 87 N 0.87 0.99 -0.40 1.64 5.85 -1.05 -1.28 115.31 121.93 3hax h LEU 87 Ca 0.19 -0.42 0.00 0.00 0.84 0.00 0.00 57.88 58.48 3hax h LEU 87 Cb 0.33 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3hax h LEU 87 CO 0.00 1.20 0.26 1.23 -0.34 0.00 0.00 178.44 180.78 3hax h GLY 88 N 0.78 0.57 0.84 3.75 0.00 -0.72 -1.13 103.07 107.16 3hax h GLY 88 Ca 0.09 -0.22 0.03 0.00 0.00 0.00 0.00 47.33 47.22 3hax h GLY 88 CO 0.08 0.22 0.25 0.00 0.00 0.00 0.00 176.54 177.09 3hax h ALA 89 N 1.13 0.57 -0.36 3.60 0.00 -0.95 -2.13 119.26 121.11 3hax h ALA 89 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3hax h ALA 89 Cb -0.04 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3hax h ALA 89 CO -0.03 -0.08 0.19 0.00 0.00 0.00 0.00 179.25 179.33 3hax h ALA 90 N 1.22 1.65 0.00 0.00 0.00 -1.01 -1.92 119.26 119.20 3hax h ALA 90 Ca 0.19 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.03 3hax h ALA 90 Cb 0.05 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3hax h ALA 90 CO -0.10 0.29 0.00 0.00 0.00 0.00 0.00 179.25 179.44 3hax n ALA 91 N -2.48 2.38 -0.61 0.00 0.00 -0.45 -3.75 120.51 115.60 3hax n ALA 91 Ca 0.02 -0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3hax n ALA 91 Cb 0.10 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 18.10 3hax n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hax n GLY 92 N 1.17 0.64 3.71 0.00 0.00 -0.72 -5.01 105.19 104.97 3hax n GLY 92 Ca 0.12 -0.55 -0.23 0.00 0.00 0.00 0.00 46.02 45.37 3hax n GLY 92 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hax s ILE 93 N -2.00 3.43 -0.66 -0.61 -4.36 -0.86 -5.03 121.20 111.11 3hax s ILE 93 Ca 0.00 -1.75 0.25 0.00 -0.26 0.00 0.00 60.65 58.89 3hax s ILE 93 Cb 0.00 -2.98 0.21 0.00 1.25 0.00 0.00 42.46 40.94 3hax s ILE 93 CO 0.00 -0.30 1.61 -0.08 0.24 0.00 0.00 174.94 176.41 3hax h GLU 94 N 1.69 0.00 -5.80 0.37 4.57 -1.96 -3.33 114.58 110.12 3hax h GLU 94 Ca -0.45 0.00 -0.60 0.00 -1.18 0.00 0.00 59.36 57.14 3hax h GLU 94 Cb 1.25 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.77 3hax h GLU 94 CO 0.61 0.00 -0.36 0.14 -1.18 0.00 0.00 179.01 178.23 3hax s VAL 95 N -3.14 1.63 0.65 0.32 -7.23 -1.26 -4.97 120.40 106.40 3hax s VAL 95 Ca 0.09 -1.59 -0.14 0.00 -1.81 0.00 0.00 61.98 58.52 3hax s VAL 95 Cb 0.12 -2.23 -0.01 0.00 0.56 0.00 0.00 36.38 34.82 3hax s VAL 95 CO 0.65 0.00 1.08 0.00 -0.31 0.00 0.00 175.10 176.52 3hax s ALA 96 N -2.77 2.58 -0.10 1.32 0.00 -1.26 -4.22 121.76 117.31 3hax s ALA 96 Ca 0.30 0.40 0.01 0.00 0.00 0.00 0.00 51.96 52.66 3hax s ALA 96 Cb -0.01 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.87 3hax s ALA 96 CO 0.18 -1.14 -0.09 0.00 0.00 0.00 0.00 175.76 174.70 3hax s ALA 97 N -2.54 1.31 0.24 0.00 0.00 -0.23 -4.77 121.76 115.78 3hax s ALA 97 Ca 0.64 -0.51 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3hax s ALA 97 Cb -0.18 -0.79 0.29 0.00 0.00 0.00 0.00 23.12 22.44 3hax s ALA 97 CO 0.43 -0.23 1.63 0.00 0.00 0.00 0.00 175.76 177.59 3hax h ALA 98 N 7.75 0.94 -2.62 0.00 0.00 -1.95 -3.39 119.26 119.99 3hax h ALA 98 Ca -0.31 -0.42 -0.07 0.00 0.00 0.00 0.00 54.91 54.11 3hax h ALA 98 Cb 1.15 -0.11 -0.15 0.00 0.00 0.00 0.00 17.79 18.69 3hax h ALA 98 CO 0.44 0.62 -0.17 -1.54 0.00 0.00 0.00 179.25 178.60 3hax s SER 99 N -6.85 -0.16 0.01 0.00 1.04 -1.26 -1.35 113.70 105.12 3hax s SER 99 Ca -0.07 -0.27 0.00 0.00 0.48 0.00 0.00 55.95 56.09 3hax s SER 99 Cb 0.13 0.42 -0.01 0.00 0.10 0.00 0.00 66.02 66.65 3hax s SER 99 CO 0.81 -0.74 -0.02 -0.69 0.98 0.00 0.00 173.24 173.57 3hax s VAL 100 N -3.25 0.13 -0.11 5.02 1.01 -0.01 -1.33 120.40 121.86 3hax s VAL 100 Ca -0.00 -0.47 0.03 0.00 0.00 0.00 0.00 61.98 61.54 3hax s VAL 100 Cb 0.01 -0.19 -0.00 0.00 0.00 0.00 0.00 36.38 36.19 3hax s VAL 100 CO -0.08 -0.22 -0.22 0.00 0.00 0.00 0.00 175.10 174.59 3hax s ALA 101 N -0.70 2.27 -0.28 5.51 0.00 0.24 -0.10 121.76 128.70 3hax s ALA 101 Ca -0.07 -0.95 -0.20 0.00 0.00 0.00 0.00 51.96 50.74 3hax s ALA 101 Cb -0.05 -0.90 -0.01 0.00 0.00 0.00 0.00 23.12 22.16 3hax s ALA 101 CO -0.00 0.29 0.62 0.42 0.00 0.00 0.00 175.76 177.09 3hax s ILE 102 N 0.33 4.97 -0.23 0.00 1.01 -0.07 -0.44 121.20 126.76 3hax s ILE 102 Ca -0.17 1.00 -0.17 0.00 0.00 0.00 0.00 60.65 61.32 3hax s ILE 102 Cb -0.17 -3.96 -0.17 0.00 0.01 0.00 0.00 42.46 38.17 3hax s ILE 102 CO 0.08 -0.04 -0.01 -0.38 0.00 0.00 0.00 174.94 174.59 3hax n ILE 103 N 5.28 1.55 -3.98 2.92 2.08 -0.22 0.06 119.36 127.05 3hax n ILE 103 Ca -0.01 -0.23 -0.30 0.00 0.56 0.00 0.00 62.75 62.77 3hax n ILE 103 Cb 0.49 -1.93 -0.16 0.00 -0.75 0.00 0.00 39.64 37.28 3hax n ILE 103 CO 0.00 0.00 0.00 -1.61 0.56 0.00 0.00 176.55 175.50 3hax s GLU 104 N -2.44 1.97 0.47 0.38 0.41 -0.59 -4.52 118.70 114.37 3hax s GLU 104 Ca -0.32 -0.73 0.23 0.00 -0.41 0.00 0.00 54.97 53.74 3hax s GLU 104 Cb 0.09 -2.28 1.16 0.00 -1.78 0.00 0.00 34.13 31.33 3hax s GLU 104 CO 0.57 -0.39 1.96 -1.00 -0.49 0.00 0.00 175.26 175.90 3hax h PRO 105 N 8.02 0.00 0.00 0.39 0.13 -1.88 0.68 132.00 139.33 3hax h PRO 105 Ca -0.29 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3hax h PRO 105 Cb 1.11 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.24 3hax h PRO 105 CO 0.47 0.20 0.00 0.41 -0.23 0.00 0.00 178.00 178.85 3hax n GLY 106 N -0.44 4.00 0.00 1.56 0.00 -1.26 -1.32 105.19 107.72 3hax n GLY 106 Ca -0.01 0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.18 3hax n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hax n LYS 107 N 13.78 0.48 -0.39 1.61 4.76 -1.26 -2.81 118.16 134.34 3hax n LYS 107 Ca 0.00 0.03 0.06 0.00 -2.87 0.00 0.00 58.31 55.53 3hax n LYS 107 Cb 0.00 -1.50 0.23 0.00 -1.84 0.00 0.00 35.03 31.92 3hax n LYS 107 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3hax n ALA 108 N -1.22 2.85 -0.07 7.82 0.00 -0.44 -4.59 120.51 124.87 3hax n ALA 108 Ca 0.14 -1.01 -0.08 0.00 0.00 0.00 0.00 53.44 52.48 3hax n ALA 108 Cb 0.18 -1.01 -0.02 0.00 0.00 0.00 0.00 19.45 18.60 3hax n ALA 108 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3hax h ARG 109 N 2.71 -0.28 -0.04 0.00 2.43 -1.68 0.78 114.38 118.31 3hax h ARG 109 Ca 0.00 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.05 3hax h ARG 109 Cb 1.00 0.06 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3hax h ARG 109 CO 0.14 -0.18 -0.61 -0.44 -1.51 0.00 0.00 179.97 177.37 3hax h ASP 110 N -0.29 0.16 -0.37 -3.80 3.32 -1.89 -2.45 116.42 111.10 3hax h ASP 110 Ca 0.14 -0.09 -0.07 0.00 0.02 0.00 0.00 57.03 57.03 3hax h ASP 110 Cb 0.52 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 3hax h ASP 110 CO -0.44 0.73 -0.04 0.25 -1.72 0.00 0.00 179.24 178.02 3hax h LEU 111 N 0.10 0.68 -0.85 1.55 5.85 -1.72 -1.54 115.31 119.38 3hax h LEU 111 Ca -0.01 -0.33 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 3hax h LEU 111 Cb 1.10 -0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 3hax h LEU 111 CO 0.09 0.85 0.01 0.58 -0.34 0.00 0.00 178.44 179.63 3hax h VAL 112 N 0.50 1.25 -0.77 1.05 2.07 -0.80 -1.15 116.25 118.40 3hax h VAL 112 Ca 0.10 -1.03 -0.03 0.00 0.82 0.00 0.00 66.70 66.56 3hax h VAL 112 Cb 0.52 0.85 -0.04 0.00 -1.52 0.00 0.00 31.29 31.10 3hax h VAL 112 CO 0.03 0.37 0.37 -0.33 0.02 0.00 0.00 177.57 178.03 3hax h GLU 113 N 0.80 1.11 -0.28 1.57 5.08 -1.33 -0.02 114.58 121.51 3hax h GLU 113 Ca 0.15 -0.16 -0.03 0.00 -1.00 0.00 0.00 59.36 58.32 3hax h GLU 113 Cb 0.47 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 3hax h GLU 113 CO 0.02 0.86 0.04 1.49 -1.00 0.00 0.00 179.01 180.42 3hax h GLU 114 N 1.08 0.46 -0.35 2.33 4.81 -0.97 -2.12 114.58 119.83 3hax h GLU 114 Ca 0.26 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.37 3hax h GLU 114 Cb 0.11 -0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 3hax h GLU 114 CO -0.03 0.58 0.22 0.82 -0.73 0.00 0.00 179.01 179.87 3hax h ILE 115 N 0.28 1.10 -0.73 2.32 2.04 -1.07 -1.82 117.51 119.62 3hax h ILE 115 Ca 0.08 -0.19 0.02 0.00 1.00 0.00 0.00 64.86 65.78 3hax h ILE 115 Cb 0.34 0.60 -0.04 0.00 -0.74 0.00 0.00 36.82 36.98 3hax h ILE 115 CO 0.01 0.09 0.48 0.00 0.00 0.00 0.00 178.15 178.73 3hax h ALA 116 N 1.12 1.54 -0.45 1.87 0.00 -0.95 -0.44 119.26 121.94 3hax h ALA 116 Ca 0.13 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3hax h ALA 116 Cb -0.04 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3hax h ALA 116 CO -0.03 0.40 -0.05 0.52 0.00 0.00 0.00 179.25 180.10 3hax h MET 117 N 0.93 0.83 -0.01 0.00 2.86 -1.06 -2.82 114.93 115.66 3hax h MET 117 Ca 0.28 -0.29 -0.17 0.00 -2.06 0.00 0.00 59.70 57.46 3hax h MET 117 Cb -0.01 -0.06 -0.02 0.00 0.06 0.00 0.00 31.60 31.57 3hax h MET 117 CO -0.07 0.91 -0.79 0.87 1.06 0.00 0.00 176.91 178.89 3hax h LYS 118 N 0.68 0.12 -0.01 1.72 1.57 -0.75 -3.12 116.57 116.77 3hax h LYS 118 Ca 0.12 -0.11 -0.15 0.00 -1.87 0.00 0.00 60.65 58.64 3hax h LYS 118 Cb 0.57 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.89 3hax h LYS 118 CO 0.03 0.84 -0.70 -0.39 -0.57 0.00 0.00 179.45 178.67 3hax h VAL 119 N 0.07 1.47 -0.75 0.50 -1.51 -1.15 -2.99 116.25 111.90 3hax h VAL 119 Ca -0.02 -2.32 -0.01 0.00 -1.23 0.00 0.00 66.70 63.12 3hax h VAL 119 Cb 1.38 2.24 -0.04 0.00 -2.13 0.00 0.00 31.29 32.75 3hax h VAL 119 CO 0.11 0.67 0.45 0.50 -1.23 0.00 0.00 177.57 178.07 3hax h LYS 120 N 0.05 1.02 0.00 5.19 3.64 -1.43 0.95 116.57 125.98 3hax h LYS 120 Ca -0.01 -0.10 -0.07 0.00 -1.27 0.00 0.00 60.65 59.20 3hax h LYS 120 Cb 1.23 -0.21 -0.01 0.00 -0.41 0.00 0.00 32.23 32.83 3hax h LYS 120 CO 0.10 0.73 -0.34 1.05 -2.27 0.00 0.00 179.45 178.72 3hax h GLU 121 N 1.03 0.00 -0.03 1.90 4.11 -1.59 -3.03 114.58 116.96 3hax h GLU 121 Ca 0.27 0.00 -0.17 0.00 0.07 0.00 0.00 59.36 59.53 3hax h GLU 121 Cb -0.03 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3hax h GLU 121 CO -0.05 0.34 -0.73 -0.07 0.07 0.00 0.00 179.01 178.57 3hax h LEU 122 N 0.00 0.25 -1.18 3.06 3.38 -1.25 -3.25 115.31 116.33 3hax h LEU 122 Ca -0.00 -0.17 -0.05 0.00 0.09 0.00 0.00 57.88 57.75 3hax h LEU 122 Cb 1.07 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.72 3hax h LEU 122 CO 0.04 0.89 0.07 0.24 0.09 0.00 0.00 178.44 179.78 3hax h MET 123 N 0.14 0.65 -0.03 1.13 2.86 -0.71 -3.48 114.93 115.49 3hax h MET 123 Ca -0.02 -0.13 0.00 0.00 -2.06 0.00 0.00 59.70 57.49 3hax h MET 123 Cb 1.29 -0.10 0.00 0.00 0.06 0.00 0.00 31.60 32.85 3hax h MET 123 CO 0.11 0.61 0.00 0.36 1.06 0.00 0.00 176.91 179.06