#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hjw n PRO 5 N 0.00 0.73 0.28 -1.58 -0.02 -1.26 -4.88 135.00 128.28 3hjw n PRO 5 Ca 0.00 0.29 0.18 0.00 -2.02 0.00 0.00 63.50 61.96 3hjw n PRO 5 Cb 0.00 -2.10 0.81 0.00 -0.02 0.00 0.00 33.50 32.19 3hjw n PRO 5 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 3hjw h SER 6 N 0.25 0.00 1.29 2.55 4.64 -2.00 -1.84 113.55 118.44 3hjw h SER 6 Ca -0.48 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.84 3hjw h SER 6 Cb 1.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.46 3hjw h SER 6 CO 0.49 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.45 3hjw n TYR 7 N -3.03 0.68 -2.65 4.77 0.18 -1.26 -4.61 117.16 111.24 3hjw n TYR 7 Ca -0.00 0.20 -0.42 0.00 1.88 0.00 0.00 57.90 59.56 3hjw n TYR 7 Cb 0.24 -0.83 -0.03 0.00 -0.38 0.00 0.00 39.34 38.34 3hjw n TYR 7 CO 0.00 0.00 0.00 0.08 -2.08 0.00 0.00 176.86 174.86 3hjw s VAL 8 N -3.09 4.01 0.05 -3.48 1.01 -0.69 -4.89 120.40 113.31 3hjw s VAL 8 Ca 0.11 0.43 0.09 0.00 0.00 0.00 0.00 61.98 62.61 3hjw s VAL 8 Cb 0.14 -4.76 -0.16 0.00 0.00 0.00 0.00 36.38 31.59 3hjw s VAL 8 CO 0.56 -1.52 1.25 0.50 0.00 0.00 0.00 175.10 175.89 3hjw h LYS 9 N 9.70 0.00 -3.98 2.72 1.63 -1.86 -3.47 116.57 121.30 3hjw h LYS 9 Ca -0.27 0.00 -0.11 0.00 -0.85 0.00 0.00 60.65 59.42 3hjw h LYS 9 Cb 1.06 0.00 -0.14 0.00 -0.60 0.00 0.00 32.23 32.55 3hjw h LYS 9 CO 1.21 0.84 -0.45 -0.59 -3.45 0.00 0.00 179.45 177.01 3hjw s PHE 10 N -2.75 0.35 0.02 1.91 -0.12 -1.26 -5.08 117.98 111.05 3hjw s PHE 10 Ca 0.01 -0.79 -0.28 0.00 -0.05 0.00 0.00 56.93 55.82 3hjw s PHE 10 Cb 0.09 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 3hjw s PHE 10 CO 0.81 -0.54 0.91 -1.21 -0.05 0.00 0.00 175.22 175.13 3hjw s GLU 11 N -3.91 4.57 -0.18 1.99 0.41 -1.26 -4.99 118.70 115.33 3hjw s GLU 11 Ca 0.10 1.31 -0.01 0.00 -0.41 0.00 0.00 54.97 55.96 3hjw s GLU 11 Cb 0.05 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.98 3hjw s GLU 11 CO -0.07 0.07 -0.14 0.08 -0.49 0.00 0.00 175.26 174.71 3hjw s VAL 12 N 0.60 2.67 0.49 2.63 1.01 -1.26 -5.05 120.40 121.49 3hjw s VAL 12 Ca 0.47 -0.75 -0.22 0.00 0.00 0.00 0.00 61.98 61.48 3hjw s VAL 12 Cb -0.21 -2.15 -0.07 0.00 0.00 0.00 0.00 36.38 33.95 3hjw s VAL 12 CO 0.26 0.50 1.22 -2.84 0.00 0.00 0.00 175.10 174.24 3hjw s PRO 13 N 1.13 3.56 0.30 2.72 0.02 -1.26 -4.82 135.00 136.65 3hjw s PRO 13 Ca 0.01 1.90 0.05 0.00 0.02 0.00 0.00 61.00 62.98 3hjw s PRO 13 Cb -0.14 -2.34 0.75 0.00 0.02 0.00 0.00 34.50 32.79 3hjw s PRO 13 CO -0.05 -0.75 1.73 0.87 -0.33 0.00 0.00 177.00 178.47 3hjw h LYS 14 N 1.84 0.54 -0.37 5.54 1.57 -1.99 -0.20 116.57 123.50 3hjw h LYS 14 Ca -0.50 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.24 3hjw h LYS 14 Cb 1.26 -0.12 -0.02 0.00 0.08 0.00 0.00 32.23 33.43 3hjw h LYS 14 CO 0.59 0.36 0.21 0.93 -0.57 0.00 0.00 179.45 180.97 3hjw h GLU 15 N 0.56 0.52 -0.51 3.15 3.07 -1.99 0.11 114.58 119.50 3hjw h GLU 15 Ca 0.58 -0.06 -0.09 0.00 -0.50 0.00 0.00 59.36 59.29 3hjw h GLU 15 Cb 1.03 -0.10 -0.02 0.00 -0.84 0.00 0.00 28.75 28.81 3hjw h GLU 15 CO -0.46 0.43 -0.03 1.25 -1.40 0.00 0.00 179.01 178.79 3hjw h LEU 16 N 0.48 0.86 -0.76 1.33 5.85 -1.65 -1.39 115.31 120.03 3hjw h LEU 16 Ca 0.13 -0.23 -0.08 0.00 0.84 0.00 0.00 57.88 58.54 3hjw h LEU 16 Cb 0.06 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.83 3hjw h LEU 16 CO -0.02 0.94 0.05 0.00 -0.34 0.00 0.00 178.44 179.06 3hjw h ALA 17 N 1.15 0.97 -0.27 1.25 0.00 -0.76 -1.97 119.26 119.63 3hjw h ALA 17 Ca 0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 54.91 54.67 3hjw h ALA 17 Cb 0.53 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 3hjw h ALA 17 CO 0.03 0.64 -0.29 0.93 0.00 0.00 0.00 179.25 180.56 3hjw h GLU 18 N 0.92 0.54 -0.30 0.00 4.39 -0.56 -2.62 114.58 116.94 3hjw h GLU 18 Ca 0.18 -0.22 -0.06 0.00 0.34 0.00 0.00 59.36 59.59 3hjw h GLU 18 Cb 0.47 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 29.08 3hjw h GLU 18 CO 0.02 0.78 -0.09 0.87 -1.16 0.00 0.00 179.01 179.42 3hjw h LYS 19 N 0.47 0.49 -0.35 2.33 1.57 -0.98 -1.75 116.57 118.35 3hjw h LYS 19 Ca 0.06 -0.13 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 3hjw h LYS 19 Cb 0.74 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.98 3hjw h LYS 19 CO 0.06 0.59 -0.05 0.00 -0.57 0.00 0.00 179.45 179.48 3hjw h ALA 20 N 1.45 0.48 0.00 3.86 0.00 -1.12 -1.15 119.26 122.78 3hjw h ALA 20 Ca 0.09 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.63 3hjw h ALA 20 Cb 0.44 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.09 3hjw h ALA 20 CO 0.02 0.30 -0.41 -0.07 0.00 0.00 0.00 179.25 179.09 3hjw h LEU 21 N 0.46 0.00 -0.06 0.00 3.38 -1.31 -2.67 115.31 115.11 3hjw h LEU 21 Ca 0.09 0.00 -0.25 0.00 0.09 0.00 0.00 57.88 57.81 3hjw h LEU 21 Cb 0.54 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.30 3hjw h LEU 21 CO 0.03 0.41 -1.01 1.56 0.09 0.00 0.00 178.44 179.52 3hjw h GLN 22 N 0.00 0.62 -0.53 1.13 1.08 -1.26 -2.95 115.11 113.20 3hjw h GLN 22 Ca -0.00 -0.66 -0.03 0.00 -1.45 0.00 0.00 58.65 56.50 3hjw h GLN 22 Cb 0.88 0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 28.47 3hjw h GLN 22 CO 0.05 1.26 0.19 0.00 -0.95 0.00 0.00 178.83 179.38 3hjw h ALA 23 N 0.51 1.33 -0.20 3.87 0.00 -1.00 -2.05 119.26 121.72 3hjw h ALA 23 Ca -0.11 -0.16 -0.18 0.00 0.00 0.00 0.00 54.91 54.46 3hjw h ALA 23 Cb 1.66 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.23 3hjw h ALA 23 CO 0.19 0.49 -0.61 0.28 0.00 0.00 0.00 179.25 179.61 3hjw h VAL 24 N 0.77 1.31 -0.36 0.00 2.07 -1.56 -1.50 116.25 116.98 3hjw h VAL 24 Ca 0.18 -1.85 0.06 0.00 0.82 0.00 0.00 66.70 65.91 3hjw h VAL 24 Cb 0.19 1.81 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3hjw h VAL 24 CO -0.01 0.58 0.04 -0.08 0.02 0.00 0.00 177.57 178.12 3hjw h GLU 25 N 0.49 0.14 0.11 1.57 4.57 -1.25 -2.07 114.58 118.14 3hjw h GLU 25 Ca -0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 3hjw h GLU 25 Cb 1.19 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 3hjw h GLU 25 CO 0.12 0.09 -0.05 0.82 -1.18 0.00 0.00 179.01 178.81 3hjw h ILE 26 N 0.15 1.07 -0.18 2.32 2.04 -1.38 -3.28 117.51 118.24 3hjw h ILE 26 Ca 0.17 -1.23 0.05 0.00 1.00 0.00 0.00 64.86 64.85 3hjw h ILE 26 Cb 0.22 1.79 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 3hjw h ILE 26 CO -0.26 0.27 0.21 0.00 0.00 0.00 0.00 178.15 178.38 3hjw h ALA 27 N -0.06 1.79 0.43 1.87 0.00 -1.27 -1.80 119.26 120.22 3hjw h ALA 27 Ca -0.01 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 3hjw h ALA 27 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.37 3hjw h ALA 27 CO 0.02 -0.31 -0.22 -0.09 0.00 0.00 0.00 179.25 178.66 3hjw h ARG 28 N 0.00 -0.57 0.00 0.00 2.43 -1.43 -0.23 114.38 114.58 3hjw h ARG 28 Ca 0.09 0.04 -0.19 0.00 -0.81 0.00 0.00 59.98 59.10 3hjw h ARG 28 Cb 0.52 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.17 3hjw h ARG 28 CO -0.00 -0.38 -0.92 0.38 -1.51 0.00 0.00 179.97 177.53 3hjw h ASP 29 N -0.59 0.00 -0.01 -3.80 3.04 -1.65 -3.33 116.42 110.08 3hjw h ASP 29 Ca -0.06 0.00 0.00 0.00 -3.24 0.00 0.00 57.03 53.73 3hjw h ASP 29 Cb 0.46 0.00 0.00 0.00 -1.04 0.00 0.00 39.33 38.75 3hjw h ASP 29 CO 0.09 0.92 -0.51 0.35 -2.04 0.00 0.00 179.24 178.06 3hjw n THR 30 N -3.43 0.00 0.00 1.15 -2.24 -0.69 -5.00 114.28 104.07 3hjw n THR 30 Ca -0.00 -0.24 0.00 0.00 -2.27 0.00 0.00 64.05 61.54 3hjw n THR 30 Cb 0.88 1.23 0.00 0.00 -2.10 0.00 0.00 70.33 70.34 3hjw n THR 30 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3hjw n GLY 31 N 1.43 4.54 3.14 3.38 0.00 -0.17 -4.27 105.19 113.24 3hjw n GLY 31 Ca 0.09 -0.55 -0.11 0.00 0.00 0.00 0.00 46.02 45.45 3hjw n GLY 31 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 3hjw s LYS 32 N 3.89 0.26 0.29 1.61 2.20 0.58 -4.81 119.74 123.77 3hjw s LYS 32 Ca 0.00 0.78 0.08 0.00 -0.36 0.00 0.00 55.97 56.47 3hjw s LYS 32 Cb 0.00 0.04 -0.06 0.00 -1.51 0.00 0.00 37.83 36.30 3hjw s LYS 32 CO 0.00 -0.22 -0.09 0.96 -0.36 0.00 0.00 175.35 175.64 3hjw s ILE 33 N 1.98 1.92 -0.04 5.43 -4.36 -1.26 -0.85 121.20 124.02 3hjw s ILE 33 Ca -0.04 -2.19 0.04 0.00 -0.26 0.00 0.00 60.65 58.20 3hjw s ILE 33 Cb -0.11 -2.45 -0.00 0.00 1.25 0.00 0.00 42.46 41.14 3hjw s ILE 33 CO -0.11 -0.31 -0.17 -0.13 0.24 0.00 0.00 174.94 174.46 3hjw s ARG 34 N -3.66 1.80 -0.07 0.37 0.52 -0.05 -4.89 118.95 112.96 3hjw s ARG 34 Ca 0.30 -0.61 0.04 0.00 -0.52 0.00 0.00 55.73 54.93 3hjw s ARG 34 Cb 0.02 -1.56 0.00 0.00 0.52 0.00 0.00 34.95 33.93 3hjw s ARG 34 CO 0.13 0.25 -0.19 -1.59 0.02 0.00 0.00 175.30 173.91 3hjw s LYS 35 N 0.04 2.35 0.00 3.54 -2.85 -1.26 -0.62 119.74 120.93 3hjw s LYS 35 Ca -0.04 -0.69 0.00 0.00 -1.00 0.00 0.00 55.97 54.24 3hjw s LYS 35 Cb -0.12 -1.87 0.00 0.00 -2.06 0.00 0.00 37.83 33.78 3hjw s LYS 35 CO 0.02 0.16 0.00 0.41 0.10 0.00 0.00 175.35 176.05 3hjw n GLY 36 N 3.49 2.63 0.26 0.59 0.00 -0.85 -4.69 105.19 106.62 3hjw n GLY 36 Ca -0.20 -1.79 -0.09 0.00 0.00 0.00 0.00 46.02 43.94 3hjw n GLY 36 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3hjw h THR 37 N 0.00 1.28 0.18 2.61 2.02 -1.96 -0.84 112.91 116.20 3hjw h THR 37 Ca 0.00 -1.45 -0.01 0.00 0.77 0.00 0.00 66.41 65.72 3hjw h THR 37 Cb 0.00 1.33 0.00 0.00 -1.74 0.00 0.00 68.15 67.74 3hjw h THR 37 CO 0.00 0.48 -0.09 -1.13 0.37 0.00 0.00 175.52 175.15 3hjw h ASN 38 N 0.66 -0.20 -0.83 4.18 -0.00 -1.95 -0.41 115.58 117.03 3hjw h ASN 38 Ca 0.07 -0.16 0.07 0.00 -0.00 0.00 0.00 56.30 56.28 3hjw h ASN 38 Cb 0.84 0.05 -0.06 0.00 -0.00 0.00 0.00 38.32 39.15 3hjw h ASN 38 CO 0.07 0.05 0.51 -0.33 -0.00 0.00 0.00 177.43 177.73 3hjw h GLU 39 N -0.46 0.89 -0.36 6.67 5.08 -1.82 -0.09 114.58 124.49 3hjw h GLU 39 Ca -0.02 -0.05 -0.05 0.00 -1.00 0.00 0.00 59.36 58.23 3hjw h GLU 39 Cb 0.35 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3hjw h GLU 39 CO 0.04 0.59 0.02 1.15 -1.00 0.00 0.00 179.01 179.81 3hjw h THR 40 N 0.91 1.25 -0.59 1.13 2.02 -1.10 -2.34 112.91 114.20 3hjw h THR 40 Ca 0.37 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.59 3hjw h THR 40 Cb 0.20 1.15 -0.03 0.00 -1.74 0.00 0.00 68.15 67.74 3hjw h THR 40 CO -0.19 0.31 0.25 0.74 0.37 0.00 0.00 175.52 177.01 3hjw h THR 41 N 0.44 1.22 0.48 3.16 2.02 -0.60 -2.49 112.91 117.16 3hjw h THR 41 Ca 0.10 -0.67 -0.02 0.00 0.77 0.00 0.00 66.41 66.59 3hjw h THR 41 Cb 0.42 0.57 0.00 0.00 -1.74 0.00 0.00 68.15 67.40 3hjw h THR 41 CO 0.01 0.26 -0.23 0.11 0.37 0.00 0.00 175.52 176.05 3hjw h LYS 42 N 0.81 -0.63 -0.98 6.66 1.79 -1.01 -2.12 116.57 121.09 3hjw h LYS 42 Ca 0.20 0.04 0.33 0.00 -2.18 0.00 0.00 60.65 59.04 3hjw h LYS 42 Cb 0.17 0.14 -0.17 0.00 -1.58 0.00 0.00 32.23 30.79 3hjw h LYS 42 CO -0.02 -0.41 0.30 0.00 -1.08 0.00 0.00 179.45 178.24 3hjw h ALA 43 N -0.15 1.64 -0.13 3.86 0.00 -1.30 0.34 119.26 123.52 3hjw h ALA 43 Ca -0.07 0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.99 3hjw h ALA 43 Cb 0.51 0.42 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3hjw h ALA 43 CO 0.11 -0.71 -0.49 0.28 0.00 0.00 0.00 179.25 178.44 3hjw h VAL 44 N 0.06 1.35 -0.24 0.00 2.07 -1.20 0.18 116.25 118.47 3hjw h VAL 44 Ca 0.70 -1.78 -0.06 0.00 0.82 0.00 0.00 66.70 66.38 3hjw h VAL 44 Cb 1.65 2.11 -0.01 0.00 -1.52 0.00 0.00 31.29 33.52 3hjw h VAL 44 CO -0.80 0.54 -0.10 -0.33 0.02 0.00 0.00 177.57 176.89 3hjw h GLU 45 N 0.17 0.38 -0.00 1.57 5.08 -0.48 -1.76 114.58 119.55 3hjw h GLU 45 Ca -0.03 -0.09 0.00 0.00 -1.00 0.00 0.00 59.36 58.24 3hjw h GLU 45 Cb 1.12 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.32 3hjw h GLU 45 CO 0.10 0.50 -0.11 0.54 -1.00 0.00 0.00 179.01 179.04 3hjw n ARG 46 N -4.25 0.31 -2.95 2.33 1.74 0.11 -4.95 116.66 109.00 3hjw n ARG 46 Ca 0.00 -0.07 -0.17 0.00 -0.77 0.00 0.00 57.85 56.84 3hjw n ARG 46 Cb 0.28 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.26 3hjw n ARG 46 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3hjw n GLY 47 N 1.38 -0.21 0.02 -0.13 0.00 -0.37 -4.91 105.19 100.97 3hjw n GLY 47 Ca 0.11 -0.07 0.05 0.00 0.00 0.00 0.00 46.02 46.11 3hjw n GLY 47 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 3hjw n GLN 48 N -3.38 3.23 -2.47 1.61 6.02 0.48 -4.97 117.38 117.90 3hjw n GLN 48 Ca -0.06 -0.04 -0.42 0.00 -0.01 0.00 0.00 57.00 56.47 3hjw n GLN 48 Cb 0.58 -1.03 -0.03 0.00 1.02 0.00 0.00 30.24 30.77 3hjw n GLN 48 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3hjw s ALA 49 N -2.02 3.36 -0.20 -1.58 0.00 -1.15 -4.34 121.76 115.84 3hjw s ALA 49 Ca 0.05 0.81 -0.13 0.00 0.00 0.00 0.00 51.96 52.69 3hjw s ALA 49 Cb 0.09 -3.42 -0.20 0.00 0.00 0.00 0.00 23.12 19.59 3hjw s ALA 49 CO 0.45 -0.38 0.12 1.63 0.00 0.00 0.00 175.76 177.58 3hjw n LYS 50 N 3.68 0.64 -3.98 0.00 4.76 0.27 -4.91 118.16 118.62 3hjw n LYS 50 Ca 0.08 0.38 -0.13 0.00 -2.87 0.00 0.00 58.31 55.77 3hjw n LYS 50 Cb 0.47 -1.67 -0.14 0.00 -1.84 0.00 0.00 35.03 31.85 3hjw n LYS 50 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3hjw s LEU 51 N -7.40 2.04 -0.11 -0.35 2.96 -1.22 -4.18 118.68 110.42 3hjw s LEU 51 Ca -0.29 -0.11 0.01 0.00 -0.22 0.00 0.00 54.13 53.52 3hjw s LEU 51 Cb 0.08 -0.08 -0.02 0.00 0.50 0.00 0.00 46.19 46.67 3hjw s LEU 51 CO 0.63 -0.02 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.81 3hjw s VAL 52 N -0.26 3.00 -0.21 1.68 1.01 -0.40 -0.73 120.40 124.49 3hjw s VAL 52 Ca -0.02 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.25 3hjw s VAL 52 Cb -0.02 -2.23 0.01 0.00 0.00 0.00 0.00 36.38 34.13 3hjw s VAL 52 CO -0.00 0.54 -0.10 -0.63 0.00 0.00 0.00 175.10 174.90 3hjw s ILE 53 N 0.13 2.83 -0.14 2.22 1.09 0.81 -0.57 121.20 127.57 3hjw s ILE 53 Ca -0.07 -0.71 -0.00 0.00 -1.10 0.00 0.00 60.65 58.77 3hjw s ILE 53 Cb -0.15 -2.27 -0.01 0.00 -1.06 0.00 0.00 42.46 38.97 3hjw s ILE 53 CO 0.05 0.45 -0.13 -0.63 -0.10 0.00 0.00 174.94 174.57 3hjw s ILE 54 N 1.39 2.96 0.33 2.92 1.01 0.62 -0.78 121.20 129.66 3hjw s ILE 54 Ca 0.05 -0.69 -0.28 0.00 0.00 0.00 0.00 60.65 59.73 3hjw s ILE 54 Cb -0.14 -2.25 -0.10 0.00 0.01 0.00 0.00 42.46 39.99 3hjw s ILE 54 CO -0.07 0.52 1.22 0.00 0.00 0.00 0.00 174.94 176.61 3hjw s ALA 55 N 0.47 3.41 -0.88 9.38 0.00 0.21 -1.22 121.76 133.13 3hjw s ALA 55 Ca -0.10 1.10 0.27 0.00 0.00 0.00 0.00 51.96 53.24 3hjw s ALA 55 Cb -0.16 -3.42 1.00 0.00 0.00 0.00 0.00 23.12 20.54 3hjw s ALA 55 CO 0.05 -0.48 1.82 0.39 0.00 0.00 0.00 175.76 177.54 3hjw n GLU 56 N 0.78 0.12 -1.72 0.00 1.02 0.94 -4.07 120.64 117.71 3hjw n GLU 56 Ca 0.00 0.09 -0.24 0.00 -0.02 0.00 0.00 57.16 56.99 3hjw n GLU 56 Cb 0.43 -1.63 0.05 0.00 -0.02 0.00 0.00 31.44 30.28 3hjw n GLU 56 CO 0.00 0.00 0.00 -0.40 1.18 0.00 0.00 177.13 177.91 3hjw n ASP 57 N -1.84 5.29 -4.66 1.62 5.75 -1.24 -4.60 116.55 116.86 3hjw n ASP 57 Ca 0.06 -3.77 -0.42 0.00 -0.01 0.00 0.00 54.79 50.66 3hjw n ASP 57 Cb 0.38 -0.52 -0.04 0.00 -1.03 0.00 0.00 41.12 39.91 3hjw n ASP 57 CO 0.00 0.00 0.00 -0.69 -0.11 0.00 0.00 177.20 176.40 3hjw s VAL 58 N -4.51 4.86 -0.04 2.12 1.01 -1.26 -4.91 120.40 117.68 3hjw s VAL 58 Ca 0.53 1.63 -0.01 0.00 0.00 0.00 0.00 61.98 64.13 3hjw s VAL 58 Cb 0.43 -4.14 0.03 0.00 0.00 0.00 0.00 36.38 32.70 3hjw s VAL 58 CO 0.02 0.00 0.04 -0.62 0.00 0.00 0.00 175.10 174.54 3hjw s ASP 59 N 1.19 1.07 0.59 3.32 2.15 -1.26 -3.50 116.67 120.24 3hjw s ASP 59 Ca 0.38 0.03 -0.17 0.00 0.43 0.00 0.00 52.55 53.22 3hjw s ASP 59 Cb -0.16 -0.21 -0.04 0.00 -0.30 0.00 0.00 42.92 42.21 3hjw s ASP 59 CO 0.11 -0.21 1.10 -2.16 -0.17 0.00 0.00 175.17 173.84 3hjw s PRO 60 N 1.92 3.18 0.27 4.34 0.04 -1.26 -5.06 135.00 138.43 3hjw s PRO 60 Ca 0.02 1.43 0.01 0.00 0.04 0.00 0.00 61.00 62.50 3hjw s PRO 60 Cb -0.12 -2.00 0.59 0.00 0.04 0.00 0.00 34.50 33.01 3hjw s PRO 60 CO -0.03 -0.95 1.76 0.93 0.04 0.00 0.00 177.00 178.74 3hjw h GLU 61 N 0.66 0.61 -0.16 4.56 5.08 -2.00 -2.68 114.58 120.65 3hjw h GLU 61 Ca -0.48 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 57.89 3hjw h GLU 61 Cb 1.24 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 3hjw h GLU 61 CO 0.56 0.40 0.42 0.93 -1.00 0.00 0.00 179.01 180.33 3hjw h GLU 62 N 0.63 0.00 -0.78 2.33 3.07 -1.97 -0.55 114.58 117.30 3hjw h GLU 62 Ca 0.49 0.00 0.07 0.00 -0.50 0.00 0.00 59.36 59.42 3hjw h GLU 62 Cb 0.74 0.00 -0.06 0.00 -0.84 0.00 0.00 28.75 28.59 3hjw h GLU 62 CO -0.38 0.00 0.46 0.82 -1.40 0.00 0.00 179.01 178.50 3hjw h ILE 63 N 0.00 0.98 0.00 3.13 5.03 -1.86 -3.31 117.51 121.49 3hjw h ILE 63 Ca 0.08 -0.28 0.00 0.00 -0.12 0.00 0.00 64.86 64.53 3hjw h ILE 63 Cb 0.93 0.09 0.00 0.00 -3.03 0.00 0.00 36.82 34.80 3hjw h ILE 63 CO -0.00 0.15 0.00 1.33 -0.68 0.00 0.00 178.15 178.95 3hjw n VAL 64 N -4.71 0.00 0.21 1.67 0.24 -0.35 -4.79 118.33 110.60 3hjw n VAL 64 Ca 0.11 -0.49 0.17 0.00 -2.04 0.00 0.00 64.34 62.09 3hjw n VAL 64 Cb 0.20 1.01 0.83 0.00 -1.47 0.00 0.00 33.84 34.41 3hjw n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3hjw h ALA 65 N 0.00 1.79 0.00 2.33 0.00 -1.27 -1.09 119.26 121.02 3hjw h ALA 65 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3hjw h ALA 65 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3hjw h ALA 65 CO 0.00 -0.28 -0.18 1.12 0.00 0.00 0.00 179.25 179.91 3hjw h HIS 66 N 0.00 0.00 0.71 0.00 2.07 -1.87 -3.39 115.15 112.68 3hjw h HIS 66 Ca 0.08 0.00 -0.03 0.00 -2.85 0.00 0.00 60.37 57.57 3hjw h HIS 66 Cb 0.47 0.00 0.01 0.00 2.57 0.00 0.00 27.41 30.46 3hjw h HIS 66 CO 0.00 0.00 -0.34 -0.07 -3.07 0.00 0.00 177.93 174.45 3hjw h LEU 67 N 0.00 -0.81 -0.66 6.12 3.38 -1.56 -2.55 115.31 119.23 3hjw h LEU 67 Ca 0.00 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3hjw h LEU 67 Cb 0.76 0.21 -0.13 0.00 0.09 0.00 0.00 40.66 41.59 3hjw h LEU 67 CO 0.00 -0.46 -0.21 -0.65 0.09 0.00 0.00 178.44 177.21 3hjw h PRO 68 N -1.17 -0.04 -0.10 1.13 0.11 -1.77 0.30 132.00 130.45 3hjw h PRO 68 Ca -0.10 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 3hjw h PRO 68 Cb 0.76 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3hjw h PRO 68 CO 0.16 -0.03 -0.11 -1.35 -0.21 0.00 0.00 178.00 176.46 3hjw h PRO 69 N -0.04 0.15 0.03 1.05 0.11 -1.81 -1.31 132.00 130.17 3hjw h PRO 69 Ca 0.30 -0.03 -0.21 0.00 0.11 0.00 0.00 66.00 66.17 3hjw h PRO 69 Cb 0.51 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 31.59 3hjw h PRO 69 CO -0.70 0.27 -0.96 1.25 -0.21 0.00 0.00 178.00 177.65 3hjw h LEU 70 N 0.15 0.27 -0.33 2.35 7.12 -0.75 -2.11 115.31 121.99 3hjw h LEU 70 Ca 0.03 -0.24 -0.07 0.00 0.13 0.00 0.00 57.88 57.74 3hjw h LEU 70 Cb 0.29 -0.08 -0.01 0.00 -0.53 0.00 0.00 40.66 40.33 3hjw h LEU 70 CO 0.02 1.08 -0.05 0.00 -0.13 0.00 0.00 178.44 179.36 3hjw h GLU 72 N 0.41 0.63 -0.65 0.00 5.08 -1.23 0.81 114.58 119.62 3hjw h GLU 72 Ca 0.09 -0.17 0.00 0.00 -1.00 0.00 0.00 59.36 58.28 3hjw h GLU 72 Cb 0.53 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.67 3hjw h GLU 72 CO 0.03 0.69 0.42 1.49 -1.00 0.00 0.00 179.01 180.64 3hjw h GLU 73 N 0.59 0.86 -0.02 2.33 4.57 -1.31 -3.07 114.58 118.53 3hjw h GLU 73 Ca 0.11 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.24 3hjw h GLU 73 Cb 0.46 -0.19 0.00 0.00 -0.16 0.00 0.00 28.75 28.86 3hjw h GLU 73 CO 0.02 0.58 -0.16 1.63 -1.18 0.00 0.00 179.01 179.90 3hjw n LYS 74 N -4.62 1.44 -3.27 1.92 4.76 -0.85 -4.96 118.16 112.57 3hjw n LYS 74 Ca 0.05 -0.99 -0.16 0.00 -2.87 0.00 0.00 58.31 54.34 3hjw n LYS 74 Cb 0.02 -1.48 0.08 0.00 -1.84 0.00 0.00 35.03 31.81 3hjw n LYS 74 CO 0.00 0.00 0.00 0.39 -1.37 0.00 0.00 177.40 176.42 3hjw n GLU 75 N 0.08 -5.92 -5.00 1.97 1.02 0.10 -5.04 120.64 107.85 3hjw n GLU 75 Ca 0.14 0.72 -0.32 0.00 -0.02 0.00 0.00 57.16 57.68 3hjw n GLU 75 Cb 0.42 -5.39 -0.16 0.00 -0.02 0.00 0.00 31.44 26.28 3hjw n GLU 75 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3hjw s ILE 76 N -3.30 2.29 0.41 -3.67 1.01 -0.18 -5.03 121.20 112.72 3hjw s ILE 76 Ca 0.11 -0.93 -0.25 0.00 0.00 0.00 0.00 60.65 59.58 3hjw s ILE 76 Cb -0.05 -1.90 -0.08 0.00 0.01 0.00 0.00 42.46 40.44 3hjw s ILE 76 CO 0.62 0.55 1.18 -2.16 0.00 0.00 0.00 174.94 175.14 3hjw s PRO 77 N 0.45 4.01 0.06 2.79 0.04 -1.26 -4.45 135.00 136.64 3hjw s PRO 77 Ca -0.15 1.87 0.02 0.00 0.04 0.00 0.00 61.00 62.78 3hjw s PRO 77 Cb -0.17 -2.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.69 3hjw s PRO 77 CO 0.06 -0.37 -0.07 1.52 0.04 0.00 0.00 177.00 178.19 3hjw s TYR 78 N -1.41 0.68 0.11 0.56 -0.85 -1.26 -1.28 117.35 113.90 3hjw s TYR 78 Ca 0.58 -0.65 -0.08 0.00 -0.52 0.00 0.00 57.07 56.40 3hjw s TYR 78 Cb -0.31 -0.41 -0.01 0.00 0.38 0.00 0.00 41.96 41.61 3hjw s TYR 78 CO 0.39 -0.13 0.19 -1.50 -1.52 0.00 0.00 175.55 172.98 3hjw s ILE 79 N -2.15 0.13 0.17 -3.49 2.07 0.26 -4.94 121.20 113.26 3hjw s ILE 79 Ca -0.04 -1.34 0.07 0.00 -1.41 0.00 0.00 60.65 57.94 3hjw s ILE 79 Cb -0.05 -1.53 -0.04 0.00 0.13 0.00 0.00 42.46 40.97 3hjw s ILE 79 CO -0.02 -0.58 0.02 -0.31 -1.91 0.00 0.00 174.94 172.14 3hjw s TYR 80 N -3.91 2.89 0.04 3.50 1.51 -1.26 -0.27 117.35 119.85 3hjw s TYR 80 Ca 0.09 -0.12 0.04 0.00 -1.01 0.00 0.00 57.07 56.08 3hjw s TYR 80 Cb 0.05 -1.40 -0.02 0.00 -0.11 0.00 0.00 41.96 40.48 3hjw s TYR 80 CO -0.07 0.52 -0.12 0.14 -1.11 0.00 0.00 175.55 174.91 3hjw s VAL 81 N -1.72 0.90 0.33 0.71 -7.23 -0.36 -4.73 120.40 108.30 3hjw s VAL 81 Ca 0.28 -0.99 0.01 0.00 -1.81 0.00 0.00 61.98 59.47 3hjw s VAL 81 Cb -0.09 -0.85 0.24 0.00 0.56 0.00 0.00 36.38 36.23 3hjw s VAL 81 CO 0.19 -0.12 1.97 1.55 -0.31 0.00 0.00 175.10 178.38 3hjw h PRO 82 N 4.82 0.85 -5.88 4.82 0.13 -1.94 0.27 132.00 135.08 3hjw h PRO 82 Ca -0.37 -0.07 -0.66 0.00 -0.87 0.00 0.00 66.00 64.02 3hjw h PRO 82 Cb 1.19 -0.18 -0.31 0.00 0.13 0.00 0.00 31.00 31.83 3hjw h PRO 82 CO 0.43 0.60 -0.87 0.45 -0.23 0.00 0.00 178.00 178.38 3hjw s SER 83 N -6.48 2.86 0.08 1.44 0.15 -1.26 -3.66 113.70 106.83 3hjw s SER 83 Ca -0.10 -0.47 0.09 0.00 0.70 0.00 0.00 55.95 56.16 3hjw s SER 83 Cb 0.17 -0.76 -0.21 0.00 -1.71 0.00 0.00 66.02 63.51 3hjw s SER 83 CO 0.77 0.23 1.13 0.07 1.20 0.00 0.00 173.24 176.64 3hjw h LYS 84 N 6.08 0.00 -0.15 5.44 2.10 -1.86 -2.18 116.57 126.00 3hjw h LYS 84 Ca -0.32 0.00 -0.03 0.00 -2.00 0.00 0.00 60.65 58.30 3hjw h LYS 84 Cb 1.17 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 32.50 3hjw h LYS 84 CO 0.47 0.86 -0.02 -0.22 -2.00 0.00 0.00 179.45 178.54 3hjw h LYS 85 N 0.00 0.29 -0.87 0.07 1.63 -1.91 0.92 116.57 116.70 3hjw h LYS 85 Ca -0.08 -0.10 -0.02 0.00 -0.85 0.00 0.00 60.65 59.60 3hjw h LYS 85 Cb 1.82 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 33.39 3hjw h LYS 85 CO 0.12 0.55 0.46 1.49 -3.45 0.00 0.00 179.45 178.61 3hjw h GLU 86 N 0.00 1.22 -0.27 1.90 4.81 -1.95 -1.18 114.58 119.12 3hjw h GLU 86 Ca 0.04 -0.15 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 3hjw h GLU 86 Cb 0.43 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.56 3hjw h GLU 86 CO 0.01 0.91 -0.18 1.25 -0.73 0.00 0.00 179.01 180.27 3hjw h LEU 87 N 1.22 0.48 0.05 1.64 5.85 -1.28 -2.18 115.31 121.09 3hjw h LEU 87 Ca 0.30 -0.14 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3hjw h LEU 87 Cb 0.05 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.95 3hjw h LEU 87 CO -0.05 0.68 -0.02 1.23 -0.34 0.00 0.00 178.44 179.94 3hjw h GLY 88 N 0.97 -0.06 0.21 3.75 0.00 -0.55 -1.87 103.07 105.50 3hjw h GLY 88 Ca 0.07 0.02 0.11 0.00 0.00 0.00 0.00 47.33 47.54 3hjw h GLY 88 CO 0.04 -0.02 0.14 0.00 0.00 0.00 0.00 176.54 176.70 3hjw h ALA 89 N 0.79 0.72 -0.69 3.60 0.00 -1.10 -1.11 119.26 121.49 3hjw h ALA 89 Ca -0.01 0.13 0.02 0.00 0.00 0.00 0.00 54.91 55.04 3hjw h ALA 89 Cb 0.14 0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.06 3hjw h ALA 89 CO 0.01 -0.29 0.45 0.00 0.00 0.00 0.00 179.25 179.42 3hjw h ALA 90 N 1.47 1.54 0.00 0.00 0.00 -1.27 -1.27 119.26 119.73 3hjw h ALA 90 Ca 0.32 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3hjw h ALA 90 Cb 0.46 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.99 3hjw h ALA 90 CO -0.39 0.41 0.00 0.00 0.00 0.00 0.00 179.25 179.27 3hjw n ALA 91 N -2.43 1.97 -0.68 0.00 0.00 -0.47 -3.98 120.51 114.92 3hjw n ALA 91 Ca 0.08 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3hjw n ALA 91 Cb 0.07 -1.34 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3hjw n ALA 91 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hjw n GLY 92 N 0.62 0.59 3.59 0.00 0.00 -0.48 -5.03 105.19 104.48 3hjw n GLY 92 Ca 0.06 -0.65 -0.27 0.00 0.00 0.00 0.00 46.02 45.16 3hjw n GLY 92 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3hjw s ILE 93 N -2.00 3.31 -1.43 -0.61 -4.36 -0.92 -5.03 121.20 110.17 3hjw s ILE 93 Ca 0.00 -1.60 0.12 0.00 -0.26 0.00 0.00 60.65 58.91 3hjw s ILE 93 Cb 0.00 -2.65 0.45 0.00 1.25 0.00 0.00 42.46 41.52 3hjw s ILE 93 CO 0.00 -0.11 1.32 -0.62 0.24 0.00 0.00 174.94 175.77 3hjw n GLU 94 N 0.00 2.62 -4.34 0.37 1.02 -1.26 -3.35 120.64 115.70 3hjw n GLU 94 Ca -0.10 -1.80 -0.23 0.00 -0.02 0.00 0.00 57.16 55.01 3hjw n GLU 94 Cb 0.55 -1.61 -0.11 0.00 -0.02 0.00 0.00 31.44 30.25 3hjw n GLU 94 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 3hjw s VAL 95 N -1.66 1.87 0.76 2.62 1.01 -1.26 -5.02 120.40 118.72 3hjw s VAL 95 Ca 0.33 -1.90 -0.15 0.00 0.00 0.00 0.00 61.98 60.25 3hjw s VAL 95 Cb 0.20 -1.85 0.02 0.00 0.00 0.00 0.00 36.38 34.75 3hjw s VAL 95 CO 0.17 -0.27 0.93 0.00 0.00 0.00 0.00 175.10 175.92 3hjw n ALA 96 N 0.35 -0.52 -3.74 5.51 0.00 -1.26 -4.34 120.51 116.50 3hjw n ALA 96 Ca -0.14 -0.26 -0.22 0.00 0.00 0.00 0.00 53.44 52.82 3hjw n ALA 96 Cb 0.57 -2.09 -0.18 0.00 0.00 0.00 0.00 19.45 17.75 3hjw n ALA 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hjw s ALA 97 N -1.95 0.58 0.17 0.00 0.00 0.15 -4.79 121.76 115.93 3hjw s ALA 97 Ca 0.71 -0.04 -0.09 0.00 0.00 0.00 0.00 51.96 52.54 3hjw s ALA 97 Cb -0.32 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.15 3hjw s ALA 97 CO 0.53 -0.45 1.59 0.00 0.00 0.00 0.00 175.76 177.43 3hjw h ALA 98 N 8.30 0.76 -2.44 0.00 0.00 -1.95 -3.40 119.26 120.54 3hjw h ALA 98 Ca -0.19 -0.36 -0.10 0.00 0.00 0.00 0.00 54.91 54.26 3hjw h ALA 98 Cb 1.12 -0.19 -0.14 0.00 0.00 0.00 0.00 17.79 18.58 3hjw h ALA 98 CO 0.24 0.67 -0.46 -1.54 0.00 0.00 0.00 179.25 178.16 3hjw s SER 99 N -6.67 0.23 -0.04 0.00 1.04 -1.26 -0.62 113.70 106.37 3hjw s SER 99 Ca -0.11 -0.74 -0.05 0.00 0.48 0.00 0.00 55.95 55.53 3hjw s SER 99 Cb 0.13 0.29 0.01 0.00 0.10 0.00 0.00 66.02 66.55 3hjw s SER 99 CO 0.86 -0.68 0.13 -0.69 0.98 0.00 0.00 173.24 173.84 3hjw s VAL 100 N -3.80 0.01 0.04 5.02 1.01 0.04 -2.00 120.40 120.72 3hjw s VAL 100 Ca 0.05 -0.11 0.07 0.00 0.00 0.00 0.00 61.98 61.98 3hjw s VAL 100 Cb 0.05 -0.22 -0.03 0.00 0.00 0.00 0.00 36.38 36.18 3hjw s VAL 100 CO -0.10 -0.06 -0.18 0.00 0.00 0.00 0.00 175.10 174.75 3hjw s ALA 101 N -0.16 2.58 -0.27 5.51 0.00 0.21 -0.13 121.76 129.49 3hjw s ALA 101 Ca -0.02 -1.19 -0.08 0.00 0.00 0.00 0.00 51.96 50.67 3hjw s ALA 101 Cb -0.02 -0.73 -0.03 0.00 0.00 0.00 0.00 23.12 22.34 3hjw s ALA 101 CO 0.00 0.57 0.11 0.42 0.00 0.00 0.00 175.76 176.86 3hjw s ILE 102 N -0.91 4.52 -0.24 0.00 1.01 0.10 -0.87 121.20 124.81 3hjw s ILE 102 Ca 0.14 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.50 3hjw s ILE 102 Cb -0.10 -3.17 -0.17 0.00 0.01 0.00 0.00 42.46 39.03 3hjw s ILE 102 CO 0.05 0.26 -0.11 -0.38 0.00 0.00 0.00 174.94 174.75 3hjw n ILE 103 N 4.96 1.55 -3.91 2.92 2.08 -0.03 0.94 119.36 127.88 3hjw n ILE 103 Ca -0.15 -0.39 -0.28 0.00 0.56 0.00 0.00 62.75 62.49 3hjw n ILE 103 Cb 0.51 -1.78 -0.17 0.00 -0.75 0.00 0.00 39.64 37.45 3hjw n ILE 103 CO 0.00 0.00 0.00 -0.70 0.56 0.00 0.00 176.55 176.41 3hjw s GLU 104 N -2.49 1.53 0.26 0.38 2.12 -0.33 -4.62 118.70 115.56 3hjw s GLU 104 Ca -0.34 -0.37 0.01 0.00 0.36 0.00 0.00 54.97 54.63 3hjw s GLU 104 Cb 0.11 -1.78 0.36 0.00 0.26 0.00 0.00 34.13 33.07 3hjw s GLU 104 CO 0.57 -0.33 1.69 -1.35 -0.54 0.00 0.00 175.26 175.30 3hjw h PRO 105 N 8.15 0.51 0.00 4.30 0.11 -1.89 0.17 132.00 143.34 3hjw h PRO 105 Ca -0.28 -0.21 0.00 0.00 0.11 0.00 0.00 66.00 65.62 3hjw h PRO 105 Cb 1.12 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.21 3hjw h PRO 105 CO 0.41 0.74 0.00 0.41 -0.21 0.00 0.00 178.00 179.36 3hjw n GLY 106 N -0.29 2.38 0.41 -0.55 0.00 -1.26 -2.90 105.19 102.99 3hjw n GLY 106 Ca -0.01 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.67 3hjw n GLY 106 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3hjw n LYS 107 N 13.28 0.67 -1.08 1.61 5.02 -1.26 -3.19 118.16 133.22 3hjw n LYS 107 Ca 0.00 0.00 0.05 0.00 -2.02 0.00 0.00 58.31 56.34 3hjw n LYS 107 Cb 0.00 -1.28 0.09 0.00 -0.02 0.00 0.00 35.03 33.82 3hjw n LYS 107 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hjw n ALA 108 N 0.05 2.78 -0.15 7.82 0.00 -1.14 -4.88 120.51 124.99 3hjw n ALA 108 Ca 0.00 -2.61 -0.09 0.00 0.00 0.00 0.00 53.44 50.75 3hjw n ALA 108 Cb 0.14 -0.58 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3hjw n ALA 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3hjw h ARG 109 N 0.90 0.65 -0.14 0.00 3.08 -1.76 -2.14 114.38 114.96 3hjw h ARG 109 Ca -0.13 -0.11 -0.21 0.00 0.07 0.00 0.00 59.98 59.60 3hjw h ARG 109 Cb 1.53 -0.11 0.01 0.00 0.08 0.00 0.00 29.97 31.47 3hjw h ARG 109 CO 0.06 0.58 -0.75 -0.44 -1.07 0.00 0.00 179.97 178.34 3hjw h ASP 110 N 0.56 0.83 -0.51 7.04 5.19 -1.90 -1.37 116.42 126.26 3hjw h ASP 110 Ca 0.15 -0.54 0.02 0.00 -0.62 0.00 0.00 57.03 56.04 3hjw h ASP 110 Cb 0.17 -0.24 -0.03 0.00 0.18 0.00 0.00 39.33 39.40 3hjw h ASP 110 CO -0.01 1.32 0.32 0.25 -3.12 0.00 0.00 179.24 177.99 3hjw h LEU 111 N 0.48 0.52 -0.45 1.55 5.85 -1.93 0.15 115.31 121.49 3hjw h LEU 111 Ca -0.04 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.70 3hjw h LEU 111 Cb 1.37 -0.12 -0.03 0.00 0.37 0.00 0.00 40.66 42.24 3hjw h LEU 111 CO 0.15 0.37 0.24 0.58 -0.34 0.00 0.00 178.44 179.45 3hjw h VAL 112 N 0.64 1.00 -0.02 1.05 2.07 -1.24 0.55 116.25 120.31 3hjw h VAL 112 Ca 0.20 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.47 3hjw h VAL 112 Cb -0.02 0.47 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3hjw h VAL 112 CO -0.07 0.09 -0.38 -0.08 0.02 0.00 0.00 177.57 177.15 3hjw h GLU 113 N 0.49 0.04 0.06 1.57 4.81 -0.93 -0.01 114.58 120.60 3hjw h GLU 113 Ca 0.19 -0.01 -0.00 0.00 -0.13 0.00 0.00 59.36 59.40 3hjw h GLU 113 Cb 0.06 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.44 3hjw h GLU 113 CO -0.11 0.41 -0.03 1.49 -0.73 0.00 0.00 179.01 180.04 3hjw h GLU 114 N 0.03 -0.08 -0.54 1.92 4.81 -0.23 -2.92 114.58 117.57 3hjw h GLU 114 Ca 0.00 0.01 0.08 0.00 -0.13 0.00 0.00 59.36 59.32 3hjw h GLU 114 Cb 0.68 0.02 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 3hjw h GLU 114 CO 0.05 0.36 0.18 0.82 -0.73 0.00 0.00 179.01 179.69 3hjw h ILE 115 N -0.55 0.78 -0.35 2.32 2.04 -0.71 -2.48 117.51 118.56 3hjw h ILE 115 Ca -0.01 -0.12 0.04 0.00 1.00 0.00 0.00 64.86 65.78 3hjw h ILE 115 Cb 0.48 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 36.94 3hjw h ILE 115 CO 0.01 0.06 0.23 0.00 0.00 0.00 0.00 178.15 178.46 3hjw h ALA 116 N 1.38 1.97 0.00 1.87 0.00 -1.01 -2.48 119.26 120.98 3hjw h ALA 116 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3hjw h ALA 116 Cb 0.32 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3hjw h ALA 116 CO -0.29 -0.03 -0.88 -1.33 0.00 0.00 0.00 179.25 176.72 3hjw n MET 117 N -4.48 0.45 -0.02 0.00 2.81 -0.95 -3.04 117.12 111.90 3hjw n MET 117 Ca 0.04 0.09 -0.08 0.00 -1.81 0.00 0.00 57.70 55.93 3hjw n MET 117 Cb 0.21 -1.75 -0.14 0.00 -0.71 0.00 0.00 33.22 30.84 3hjw n MET 117 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 3hjw h LYS 118 N 0.00 0.00 0.00 0.03 2.10 -1.28 -3.30 116.57 114.12 3hjw h LYS 118 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 3hjw h LYS 118 Cb 0.87 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.20 3hjw h LYS 118 CO 0.00 0.53 0.00 -0.39 -2.00 0.00 0.00 179.45 177.59 3hjw h VAL 119 N 0.00 0.00 -0.47 0.07 -1.51 -1.58 -2.98 116.25 109.79 3hjw h VAL 119 Ca -0.26 -0.52 -0.08 0.00 -1.23 0.00 0.00 66.70 64.61 3hjw h VAL 119 Cb 2.00 1.46 -0.02 0.00 -2.13 0.00 0.00 31.29 32.60 3hjw h VAL 119 CO 0.08 0.00 -0.02 0.50 -1.23 0.00 0.00 177.57 176.91 3hjw h LYS 120 N 0.00 0.78 -0.02 5.19 1.63 -1.61 -1.35 116.57 121.19 3hjw h LYS 120 Ca 0.00 -0.22 -0.17 0.00 -0.85 0.00 0.00 60.65 59.41 3hjw h LYS 120 Cb 0.57 -0.09 -0.01 0.00 -0.60 0.00 0.00 32.23 32.10 3hjw h LYS 120 CO 0.00 0.80 -0.75 0.93 -3.45 0.00 0.00 179.45 176.98 3hjw h GLU 121 N 0.73 0.18 0.00 1.90 4.39 -1.64 -3.16 114.58 116.97 3hjw h GLU 121 Ca 0.14 -0.16 -0.03 0.00 0.34 0.00 0.00 59.36 59.65 3hjw h GLU 121 Cb 0.47 0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 29.15 3hjw h GLU 121 CO 0.02 0.84 -0.13 -0.07 -1.16 0.00 0.00 179.01 178.51 3hjw h LEU 122 N 0.12 0.00 0.00 1.33 3.38 -1.44 -3.53 115.31 115.17 3hjw h LEU 122 Ca -0.02 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3hjw h LEU 122 Cb 1.32 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3hjw h LEU 122 CO 0.11 0.13 0.00 0.23 0.09 0.00 0.00 178.44 179.01