#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d7o s HIS 2 N 0.00 3.16 0.12 1.45 3.76 -1.26 -4.47 115.29 118.05 3d7o s HIS 2 Ca 0.00 -0.54 -0.15 0.00 -0.15 0.00 0.00 55.06 54.22 3d7o s HIS 2 Cb 0.00 -3.08 -0.07 0.00 1.11 0.00 0.00 32.58 30.54 3d7o s HIS 2 CO 0.00 -0.79 0.53 -0.51 -0.85 0.00 0.00 174.74 173.12 3d7o s LEU 3 N 2.13 4.39 0.80 0.89 1.02 -1.26 -5.09 118.68 121.56 3d7o s LEU 3 Ca 0.11 1.08 -0.11 0.00 0.02 0.00 0.00 54.13 55.23 3d7o s LEU 3 Cb -0.19 -3.12 0.07 0.00 0.02 0.00 0.00 46.19 42.97 3d7o s LEU 3 CO 0.12 0.16 1.09 0.42 0.02 0.00 0.00 176.35 178.16 3d7o s THR 4 N -1.36 3.11 0.36 5.49 -4.23 -1.26 -4.74 115.64 113.02 3d7o s THR 4 Ca 0.35 0.36 0.05 0.00 -1.18 0.00 0.00 61.69 61.27 3d7o s THR 4 Cb -0.16 -3.05 0.28 0.00 1.34 0.00 0.00 72.50 70.91 3d7o s THR 4 CO 0.19 -0.47 1.98 -0.65 -0.54 0.00 0.00 174.62 175.13 3d7o h PRO 5 N -1.13 0.75 -0.71 3.99 0.11 -1.98 0.16 132.00 133.19 3d7o h PRO 5 Ca -0.47 -0.04 0.02 0.00 0.11 0.00 0.00 66.00 65.61 3d7o h PRO 5 Cb 1.26 -0.17 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 3d7o h PRO 5 CO 0.58 0.49 0.46 0.93 -0.21 0.00 0.00 178.00 180.25 3d7o h GLU 6 N 0.77 0.89 -0.28 1.05 5.08 -1.98 0.14 114.58 120.25 3d7o h GLU 6 Ca 0.27 -0.05 -0.03 0.00 -1.00 0.00 0.00 59.36 58.55 3d7o h GLU 6 Cb 0.12 -0.20 -0.01 0.00 0.50 0.00 0.00 28.75 29.16 3d7o h GLU 6 CO -0.08 0.59 0.06 0.93 -1.00 0.00 0.00 179.01 179.51 3d7o h GLU 7 N 0.92 0.46 -0.72 2.33 5.08 -1.78 -0.54 114.58 120.32 3d7o h GLU 7 Ca 0.27 -0.11 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 3d7o h GLU 7 Cb -0.05 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.10 3d7o h GLU 7 CO -0.08 0.55 0.46 0.87 -1.00 0.00 0.00 179.01 179.81 3d7o h LYS 8 N 0.29 0.87 -0.21 2.33 1.57 -0.54 -1.17 116.57 119.71 3d7o h LYS 8 Ca 0.09 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 58.81 3d7o h LYS 8 Cb 0.30 -0.20 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d7o h LYS 8 CO 0.00 0.57 0.13 1.03 -0.57 0.00 0.00 179.45 180.61 3d7o h SER 9 N 0.90 0.26 -0.64 0.86 0.87 -0.45 -0.27 113.55 115.07 3d7o h SER 9 Ca 0.29 -0.06 0.02 0.00 -1.23 0.00 0.00 61.79 60.81 3d7o h SER 9 Cb 0.01 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 61.86 3d7o h SER 9 CO -0.10 0.24 0.40 0.00 -0.53 0.00 0.00 176.83 176.84 3d7o h ALA 10 N 1.03 0.83 0.06 6.23 0.00 -0.78 -1.76 119.26 124.86 3d7o h ALA 10 Ca 0.08 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3d7o h ALA 10 Cb 0.03 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.61 3d7o h ALA 10 CO -0.01 0.17 -0.03 0.28 0.00 0.00 0.00 179.25 179.66 3d7o h VAL 11 N 0.80 1.26 -0.28 0.00 2.07 -0.94 -3.05 116.25 116.11 3d7o h VAL 11 Ca 0.25 -1.19 -0.14 0.00 0.82 0.00 0.00 66.70 66.44 3d7o h VAL 11 Cb -0.01 2.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.78 3d7o h VAL 11 CO -0.09 0.29 -0.40 0.71 0.02 0.00 0.00 177.57 178.10 3d7o h THR 12 N -0.62 1.29 -0.52 2.57 1.35 -1.00 -1.94 112.91 114.04 3d7o h THR 12 Ca -0.01 -1.58 -0.00 0.00 -0.55 0.00 0.00 66.41 64.27 3d7o h THR 12 Cb 0.54 1.51 -0.02 0.00 -1.73 0.00 0.00 68.15 68.44 3d7o h THR 12 CO 0.01 0.51 0.31 0.00 -0.25 0.00 0.00 175.52 176.10 3d7o h ALA 13 N 1.00 0.66 -0.38 6.62 0.00 -1.40 -2.57 119.26 123.19 3d7o h ALA 13 Ca 0.05 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 3d7o h ALA 13 Cb 0.93 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3d7o h ALA 13 CO 0.08 0.15 0.11 1.25 0.00 0.00 0.00 179.25 180.84 3d7o h LEU 14 N 0.69 0.56 -1.19 0.00 5.85 -1.44 -3.23 115.31 116.55 3d7o h LEU 14 Ca 0.19 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3d7o h LEU 14 Cb -0.01 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.85 3d7o h LEU 14 CO -0.03 0.62 0.06 -0.25 -0.34 0.00 0.00 178.44 178.49 3d7o h TRP 15 N 0.47 0.63 0.00 1.25 2.91 -1.05 -0.33 115.95 119.83 3d7o h TRP 15 Ca 0.12 -0.06 0.00 0.00 1.13 0.00 0.00 58.89 60.09 3d7o h TRP 15 Cb 0.27 -0.19 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 3d7o h TRP 15 CO 0.01 0.57 0.07 0.78 -1.03 0.00 0.00 178.44 178.84 3d7o h GLY 16 N 0.86 0.00 -1.78 2.65 0.00 -1.48 -1.14 103.07 102.18 3d7o h GLY 16 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.46 3d7o h GLY 16 CO 0.00 0.00 -0.03 0.28 0.00 0.00 0.00 176.54 176.79 3d7o n LYS 17 N -2.32 2.11 -2.64 4.80 5.02 -0.14 -4.98 118.16 120.02 3d7o n LYS 17 Ca -0.02 -1.80 -0.41 0.00 -2.02 0.00 0.00 58.31 54.07 3d7o n LYS 17 Cb 0.10 -1.44 -0.04 0.00 -0.02 0.00 0.00 35.03 33.63 3d7o n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3d7o s VAL 18 N -1.94 4.28 -0.67 -0.18 1.01 -0.43 -4.98 120.40 117.49 3d7o s VAL 18 Ca 0.26 1.88 -0.26 0.00 0.00 0.00 0.00 61.98 63.86 3d7o s VAL 18 Cb 0.19 -4.20 0.04 0.00 0.00 0.00 0.00 36.38 32.41 3d7o s VAL 18 CO 0.31 0.28 1.14 0.21 0.00 0.00 0.00 175.10 177.04 3d7o s ASN 19 N 0.09 6.23 0.00 3.32 3.84 -1.26 -4.88 114.94 122.28 3d7o s ASN 19 Ca 0.49 -0.48 0.24 0.00 0.21 0.00 0.00 52.86 53.32 3d7o s ASN 19 Cb -0.26 -2.51 1.13 0.00 -0.55 0.00 0.00 41.25 39.07 3d7o s ASN 19 CO 0.31 -1.60 1.80 1.33 -2.79 0.00 0.00 177.10 176.15 3d7o n VAL 20 N 6.29 0.28 0.39 -5.21 0.24 -1.26 -1.41 118.33 117.66 3d7o n VAL 20 Ca 0.02 0.07 0.12 0.00 -2.04 0.00 0.00 64.34 62.51 3d7o n VAL 20 Cb 0.48 -0.66 0.10 0.00 -1.47 0.00 0.00 33.84 32.29 3d7o n VAL 20 CO 0.00 0.00 0.00 0.44 -2.14 0.00 0.00 176.83 175.13 3d7o h ASP 21 N 0.00 0.00 0.00 -1.34 3.32 -1.96 -3.42 116.42 113.02 3d7o h ASP 21 Ca 0.00 -0.14 -0.11 0.00 0.02 0.00 0.00 57.03 56.80 3d7o h ASP 21 Cb 0.33 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.86 3d7o h ASP 21 CO 0.00 0.07 -1.42 -0.62 -1.72 0.00 0.00 179.24 175.55 3d7o n GLU 22 N -2.34 0.34 -0.19 3.56 -0.58 -0.61 -4.72 120.64 116.11 3d7o n GLU 22 Ca 0.02 0.04 -0.10 0.00 -0.42 0.00 0.00 57.16 56.70 3d7o n GLU 22 Cb 0.48 -1.15 0.01 0.00 -0.57 0.00 0.00 31.44 30.21 3d7o n GLU 22 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3d7o h VAL 23 N 0.00 1.27 -0.55 2.62 2.07 -1.49 -1.68 116.25 118.48 3d7o h VAL 23 Ca -0.17 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.21 3d7o h VAL 23 Cb 1.26 0.94 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 3d7o h VAL 23 CO -0.02 0.43 0.25 1.23 0.02 0.00 0.00 177.57 179.48 3d7o h GLY 24 N 0.88 0.78 1.60 2.17 0.00 -1.83 -0.17 103.07 106.49 3d7o h GLY 24 Ca 0.15 -0.16 -0.12 0.00 0.00 0.00 0.00 47.33 47.19 3d7o h GLY 24 CO 0.04 0.07 -0.39 -1.33 0.00 0.00 0.00 176.54 174.93 3d7o h GLY 25 N 0.48 0.49 0.89 4.60 0.00 -1.64 -0.93 103.07 106.96 3d7o h GLY 25 Ca 0.26 -0.47 -0.04 0.00 0.00 0.00 0.00 47.33 47.08 3d7o h GLY 25 CO -0.21 0.43 0.03 -2.09 0.00 0.00 0.00 176.54 174.70 3d7o h GLU 26 N 0.38 0.52 -0.28 4.80 4.81 -0.84 -0.35 114.58 123.61 3d7o h GLU 26 Ca 0.04 -0.15 -0.03 0.00 -0.13 0.00 0.00 59.36 59.09 3d7o h GLU 26 Cb 0.85 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 30.16 3d7o h GLU 26 CO 0.07 0.63 0.06 0.00 -0.73 0.00 0.00 179.01 179.04 3d7o h ALA 27 N 0.86 0.38 -0.34 2.92 0.00 -0.92 -1.28 119.26 120.87 3d7o h ALA 27 Ca 0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3d7o h ALA 27 Cb 0.38 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3d7o h ALA 27 CO 0.01 0.05 0.19 1.25 0.00 0.00 0.00 179.25 180.76 3d7o h LEU 28 N 0.29 0.43 -0.06 0.00 5.85 -1.14 -0.14 115.31 120.54 3d7o h LEU 28 Ca 0.09 -0.08 0.02 0.00 0.84 0.00 0.00 57.88 58.75 3d7o h LEU 28 Cb 0.32 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 41.22 3d7o h LEU 28 CO 0.00 0.38 -0.07 1.23 -0.34 0.00 0.00 178.44 179.65 3d7o h GLY 29 N 0.43 -0.02 1.01 3.75 0.00 -1.00 -0.93 103.07 106.31 3d7o h GLY 29 Ca 0.12 0.08 0.05 0.00 0.00 0.00 0.00 47.33 47.58 3d7o h GLY 29 CO -0.02 -0.08 0.55 3.21 0.00 0.00 0.00 176.54 180.20 3d7o h ARG 30 N -0.09 0.98 -0.37 4.80 3.08 -1.13 -0.93 114.38 120.71 3d7o h ARG 30 Ca 0.05 -0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3d7o h ARG 30 Cb 0.16 -0.22 -0.02 0.00 0.08 0.00 0.00 29.97 29.97 3d7o h ARG 30 CO -0.12 0.65 0.24 1.25 -1.07 0.00 0.00 179.97 180.92 3d7o h LEU 31 N 1.01 0.43 -0.97 3.04 5.85 -0.31 0.18 115.31 124.53 3d7o h LEU 31 Ca 0.34 -0.02 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 3d7o h LEU 31 Cb 0.10 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 41.01 3d7o h LEU 31 CO -0.11 0.32 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.96 3d7o h LEU 32 N 0.50 0.41 0.08 2.25 3.38 -0.61 -0.97 115.31 120.37 3d7o h LEU 32 Ca 0.14 -0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.80 3d7o h LEU 32 Cb -0.05 -0.11 0.02 0.00 0.09 0.00 0.00 40.66 40.60 3d7o h LEU 32 CO -0.03 0.69 -0.69 0.58 0.09 0.00 0.00 178.44 179.08 3d7o h VAL 33 N 0.36 1.50 0.07 1.22 2.07 -0.80 -3.30 116.25 117.36 3d7o h VAL 33 Ca 0.05 -2.35 -0.24 0.00 0.82 0.00 0.00 66.70 64.99 3d7o h VAL 33 Cb 0.68 2.98 0.02 0.00 -1.52 0.00 0.00 31.29 33.46 3d7o h VAL 33 CO 0.05 0.67 -0.96 0.58 0.02 0.00 0.00 177.57 177.92 3d7o h VAL 34 N -0.31 1.35 -2.60 2.57 2.07 -0.64 -3.37 116.25 115.32 3d7o h VAL 34 Ca -0.11 -2.32 -0.66 0.00 0.82 0.00 0.00 66.70 64.44 3d7o h VAL 34 Cb 1.48 2.68 -0.38 0.00 -1.52 0.00 0.00 31.29 33.54 3d7o h VAL 34 CO 0.13 0.69 -0.26 -1.22 0.02 0.00 0.00 177.57 176.94 3d7o n TYR 35 N -3.97 3.43 0.33 1.57 4.01 -0.37 -4.96 117.16 117.20 3d7o n TYR 35 Ca -0.12 -3.88 0.06 0.00 -0.16 0.00 0.00 57.90 53.80 3d7o n TYR 35 Cb 0.85 -0.78 0.29 0.00 -0.31 0.00 0.00 39.34 39.39 3d7o n TYR 35 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3d7o n PRO 36 N 1.28 0.04 0.29 -0.72 -0.04 -1.24 -0.90 135.00 133.71 3d7o n PRO 36 Ca 0.27 0.37 0.14 0.00 -0.04 0.00 0.00 63.50 64.24 3d7o n PRO 36 Cb 0.38 -1.60 0.86 0.00 -0.04 0.00 0.00 33.50 33.10 3d7o n PRO 36 CO 0.00 0.00 0.00 0.11 -0.04 0.00 0.00 175.50 175.57 3d7o h TRP 37 N 0.00 0.00 0.00 0.54 0.09 -1.92 -2.07 115.95 112.59 3d7o h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 3d7o h TRP 37 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.43 3d7o h TRP 37 CO 0.00 0.01 0.00 1.79 0.09 0.00 0.00 178.44 180.33 3d7o h THR 38 N 0.00 0.00 0.00 0.12 1.35 -1.34 -2.01 112.91 111.03 3d7o h THR 38 Ca -0.00 -0.34 -0.01 0.00 -0.55 0.00 0.00 66.41 65.52 3d7o h THR 38 Cb 0.03 1.18 -0.00 0.00 -1.73 0.00 0.00 68.15 67.62 3d7o h THR 38 CO 0.00 0.00 -0.03 1.56 -0.25 0.00 0.00 175.52 176.80 3d7o h GLN 39 N 0.00 0.00 -1.12 4.72 4.20 -1.57 -2.12 115.11 119.22 3d7o h GLN 39 Ca 0.00 0.00 0.34 0.00 0.06 0.00 0.00 58.65 59.05 3d7o h GLN 39 Cb 0.41 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.07 3d7o h GLN 39 CO 0.00 0.03 0.70 -0.09 -0.67 0.00 0.00 178.83 178.80 3d7o h ARG 40 N 0.00 0.27 -0.08 1.46 2.43 -1.55 -1.49 114.38 115.43 3d7o h ARG 40 Ca -0.00 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.15 3d7o h ARG 40 Cb 0.19 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3d7o h ARG 40 CO 0.00 0.18 0.00 1.19 -1.51 0.00 0.00 179.97 179.84 3d7o n PHE 41 N -4.78 0.09 -2.35 2.20 3.01 -0.80 -4.30 117.46 110.53 3d7o n PHE 41 Ca 0.31 -0.04 0.01 0.00 1.01 0.00 0.00 57.45 58.74 3d7o n PHE 41 Cb 1.08 0.00 0.06 0.00 -0.01 0.00 0.00 39.48 40.62 3d7o n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 3d7o n PHE 42 N 0.44 0.50 -0.11 1.38 3.01 -0.57 -4.86 117.46 117.25 3d7o n PHE 42 Ca 0.18 -1.19 0.06 0.00 1.01 0.00 0.00 57.45 57.51 3d7o n PHE 42 Cb 0.39 -0.20 0.40 0.00 -0.01 0.00 0.00 39.48 40.06 3d7o n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 3d7o h GLU 43 N 1.44 0.63 0.00 -1.08 3.07 -1.73 -2.29 114.58 114.62 3d7o h GLU 43 Ca -0.11 -0.04 0.00 0.00 -0.50 0.00 0.00 59.36 58.71 3d7o h GLU 43 Cb 1.56 -0.14 0.00 0.00 -0.84 0.00 0.00 28.75 29.33 3d7o h GLU 43 CO 0.15 0.41 0.00 -1.13 -1.40 0.00 0.00 179.01 177.05 3d7o n SER 44 N -4.47 0.52 0.17 1.42 3.41 -1.26 -3.19 113.62 110.22 3d7o n SER 44 Ca 0.08 0.63 0.13 0.00 -0.26 0.00 0.00 58.87 59.46 3d7o n SER 44 Cb 0.19 -0.74 0.56 0.00 -0.26 0.00 0.00 64.21 63.96 3d7o n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3d7o h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.81 -3.49 116.94 119.02 3d7o h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 3d7o h PHE 45 Cb 0.32 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.27 3d7o h PHE 45 CO 0.00 0.00 0.00 0.41 -0.18 0.00 0.00 178.31 178.54 3d7o n GLY 46 N -0.05 0.95 3.60 -1.45 0.00 -1.19 -4.79 105.19 102.25 3d7o n GLY 46 Ca 0.01 -1.39 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 3d7o n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3d7o s ASP 47 N -4.00 5.76 -0.14 1.61 3.68 -1.26 -4.81 116.67 117.51 3d7o s ASP 47 Ca 0.00 1.41 0.14 0.00 2.13 0.00 0.00 52.55 56.24 3d7o s ASP 47 Cb 0.00 -2.52 0.36 0.00 -1.45 0.00 0.00 42.92 39.30 3d7o s ASP 47 CO 0.00 -1.79 1.18 0.18 0.13 0.00 0.00 175.17 174.86 3d7o n LEU 48 N 10.72 2.18 0.20 -1.34 4.77 -1.26 -4.18 117.00 128.08 3d7o n LEU 48 Ca 0.25 -3.21 0.08 0.00 -0.03 0.00 0.00 56.01 53.10 3d7o n LEU 48 Cb 0.47 -0.39 0.32 0.00 -2.33 0.00 0.00 43.42 41.49 3d7o n LEU 48 CO 0.68 1.01 0.72 0.77 -1.33 0.00 0.00 177.39 179.24 3d7o h SER 49 N 0.65 0.00 -4.96 -1.43 4.64 -1.92 -3.44 113.55 107.10 3d7o h SER 49 Ca -0.03 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.05 3d7o h SER 49 Cb 1.15 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.10 3d7o h SER 49 CO 0.01 0.27 -0.66 0.42 -0.87 0.00 0.00 176.83 176.01 3d7o s THR 50 N -3.43 0.39 0.15 2.95 -4.23 -1.26 -5.03 115.64 105.19 3d7o s THR 50 Ca 0.02 -1.94 -0.18 0.00 -1.18 0.00 0.00 61.69 58.41 3d7o s THR 50 Cb 0.09 -2.08 0.05 0.00 1.34 0.00 0.00 72.50 71.91 3d7o s THR 50 CO 0.67 -0.48 1.68 -0.65 -0.54 0.00 0.00 174.62 175.30 3d7o h PRO 51 N 2.78 0.01 -0.59 3.99 0.11 -1.98 -1.58 132.00 134.75 3d7o h PRO 51 Ca -0.36 -0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.80 3d7o h PRO 51 Cb 1.20 -0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 3d7o h PRO 51 CO 0.61 0.01 0.31 -0.44 -0.21 0.00 0.00 178.00 178.28 3d7o h ASP 52 N 0.01 0.44 -0.40 -2.05 3.32 -1.98 0.10 116.42 115.87 3d7o h ASP 52 Ca 0.16 0.03 0.03 0.00 0.02 0.00 0.00 57.03 57.28 3d7o h ASP 52 Cb 0.24 -0.05 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3d7o h ASP 52 CO -0.33 0.29 0.19 0.00 -1.72 0.00 0.00 179.24 177.67 3d7o h ALA 53 N 1.32 0.49 -0.05 3.45 0.00 -1.86 -1.32 119.26 121.28 3d7o h ALA 53 Ca 0.26 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 3d7o h ALA 53 Cb 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 3d7o h ALA 53 CO -0.18 -0.18 0.03 0.28 0.00 0.00 0.00 179.25 179.20 3d7o h VAL 54 N 0.38 1.07 -0.07 0.00 2.07 -0.53 -1.58 116.25 117.59 3d7o h VAL 54 Ca 0.17 -0.19 -0.14 0.00 0.82 0.00 0.00 66.70 67.35 3d7o h VAL 54 Cb 0.09 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.96 3d7o h VAL 54 CO -0.13 0.06 -0.60 0.24 0.02 0.00 0.00 177.57 177.16 3d7o h MET 55 N 0.01 0.24 -0.01 1.57 2.07 -0.86 -2.54 114.93 115.40 3d7o h MET 55 Ca 0.02 -0.16 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 3d7o h MET 55 Cb 0.07 0.02 0.00 0.00 -1.87 0.00 0.00 31.60 29.82 3d7o h MET 55 CO -0.00 0.76 -0.03 0.41 1.07 0.00 0.00 176.91 179.12 3d7o n GLY 56 N 0.25 -0.14 3.65 8.32 0.00 -0.51 -4.83 105.19 111.94 3d7o n GLY 56 Ca -0.02 -0.42 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 3d7o n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3d7o s ASN 57 N -2.06 6.58 0.46 1.61 3.84 -0.60 -4.90 114.94 119.87 3d7o s ASN 57 Ca 0.37 2.05 0.13 0.00 0.21 0.00 0.00 52.86 55.63 3d7o s ASN 57 Cb 0.21 -2.53 1.05 0.00 -0.55 0.00 0.00 41.25 39.43 3d7o s ASN 57 CO 0.36 -1.03 2.05 -0.65 -2.79 0.00 0.00 177.10 175.04 3d7o h PRO 58 N 9.91 0.10 -0.51 0.43 0.11 -1.90 -2.49 132.00 137.64 3d7o h PRO 58 Ca -0.37 -0.01 -0.12 0.00 0.11 0.00 0.00 66.00 65.61 3d7o h PRO 58 Cb 1.17 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 3d7o h PRO 58 CO 0.97 0.16 -0.14 0.87 -0.21 0.00 0.00 178.00 179.65 3d7o h LYS 59 N 0.10 0.98 0.17 1.05 1.57 -1.90 -1.70 116.57 116.84 3d7o h LYS 59 Ca 0.02 -0.37 0.00 0.00 -1.87 0.00 0.00 60.65 58.43 3d7o h LYS 59 Cb 0.17 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.41 3d7o h LYS 59 CO 0.01 1.05 -0.14 0.28 -0.57 0.00 0.00 179.45 180.07 3d7o h VAL 60 N 0.87 0.68 -0.43 0.50 2.07 -1.76 0.27 116.25 118.44 3d7o h VAL 60 Ca 0.13 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.69 3d7o h VAL 60 Cb 0.70 0.68 -0.04 0.00 -1.52 0.00 0.00 31.29 31.11 3d7o h VAL 60 CO 0.05 0.00 0.21 0.50 0.02 0.00 0.00 177.57 178.35 3d7o h LYS 61 N -0.33 0.41 -0.53 1.57 3.64 -1.46 0.62 116.57 120.48 3d7o h LYS 61 Ca -0.00 -0.02 -0.03 0.00 -1.27 0.00 0.00 60.65 59.32 3d7o h LYS 61 Cb 0.30 -0.09 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 3d7o h LYS 61 CO -0.02 0.27 0.20 0.00 -2.27 0.00 0.00 179.45 177.63 3d7o h ALA 62 N 1.24 0.69 -0.13 5.00 0.00 -1.19 -1.87 119.26 122.99 3d7o h ALA 62 Ca 0.19 -0.17 -0.15 0.00 0.00 0.00 0.00 54.91 54.78 3d7o h ALA 62 Cb 0.11 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.68 3d7o h ALA 62 CO -0.14 0.32 -0.56 1.25 0.00 0.00 0.00 179.25 180.12 3d7o h HIS 63 N 0.72 0.51 -0.36 0.00 -0.00 -0.73 -2.91 115.15 112.38 3d7o h HIS 63 Ca 0.18 -0.18 -0.03 0.00 -0.00 0.00 0.00 60.37 60.33 3d7o h HIS 63 Cb 0.22 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.52 3d7o h HIS 63 CO 0.01 0.87 0.10 0.78 -0.00 0.00 0.00 177.93 179.68 3d7o h GLY 64 N 1.23 0.55 0.52 5.26 0.00 -0.61 -1.44 103.07 108.58 3d7o h GLY 64 Ca 0.00 -0.28 0.08 0.00 0.00 0.00 0.00 47.33 47.14 3d7o h GLY 64 CO 0.10 0.26 0.35 1.70 0.00 0.00 0.00 176.54 178.95 3d7o h LYS 65 N 0.51 0.59 -0.33 4.80 3.64 -1.14 -0.69 116.57 123.96 3d7o h LYS 65 Ca 0.12 -0.04 -0.09 0.00 -1.27 0.00 0.00 60.65 59.38 3d7o h LYS 65 Cb 0.18 -0.13 -0.01 0.00 -0.41 0.00 0.00 32.23 31.86 3d7o h LYS 65 CO -0.01 0.39 -0.14 0.87 -2.27 0.00 0.00 179.45 178.30 3d7o h LYS 66 N 0.61 0.67 -0.30 1.90 1.57 -1.30 -1.87 116.57 117.85 3d7o h LYS 66 Ca 0.34 -0.29 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3d7o h LYS 66 Cb 0.32 -0.02 -0.05 0.00 0.08 0.00 0.00 32.23 32.56 3d7o h LYS 66 CO -0.25 0.87 -0.05 0.28 -0.57 0.00 0.00 179.45 179.74 3d7o h VAL 67 N 0.44 0.72 -0.71 0.50 2.07 -1.02 -2.10 116.25 116.15 3d7o h VAL 67 Ca 0.07 -0.01 -0.03 0.00 0.82 0.00 0.00 66.70 67.55 3d7o h VAL 67 Cb 0.66 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 3d7o h VAL 67 CO 0.04 0.01 0.32 0.25 0.02 0.00 0.00 177.57 178.21 3d7o h LEU 68 N 0.03 0.94 -0.84 2.57 5.85 -1.02 -1.35 115.31 121.49 3d7o h LEU 68 Ca 0.15 -0.12 0.17 0.00 0.84 0.00 0.00 57.88 58.92 3d7o h LEU 68 Cb 0.22 -0.24 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3d7o h LEU 68 CO -0.29 0.81 0.39 1.23 -0.34 0.00 0.00 178.44 180.24 3d7o h GLY 69 N 1.08 1.37 1.05 3.75 0.00 -0.95 0.44 103.07 109.81 3d7o h GLY 69 Ca 0.24 -0.20 -0.12 0.00 0.00 0.00 0.00 47.33 47.26 3d7o h GLY 69 CO -0.03 -0.13 -0.21 0.00 0.00 0.00 0.00 176.54 176.17 3d7o h ALA 70 N 1.61 0.58 -0.52 3.60 0.00 -0.60 0.27 119.26 124.20 3d7o h ALA 70 Ca 0.48 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3d7o h ALA 70 Cb 0.78 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 18.40 3d7o h ALA 70 CO -0.43 0.55 0.34 0.74 0.00 0.00 0.00 179.25 180.45 3d7o h PHE 71 N 0.69 0.66 -0.40 0.00 -1.00 -0.58 -1.14 116.94 115.17 3d7o h PHE 71 Ca 0.09 0.01 0.05 0.00 2.81 0.00 0.00 57.97 60.93 3d7o h PHE 71 Cb 0.78 -0.22 -0.04 0.00 3.61 0.00 0.00 35.95 40.07 3d7o h PHE 71 CO 0.06 0.42 0.14 0.77 -1.61 0.00 0.00 178.31 178.09 3d7o h SER 72 N 0.70 0.15 -0.59 2.17 0.02 0.12 -1.09 113.55 115.04 3d7o h SER 72 Ca 0.19 0.04 0.12 0.00 -0.84 0.00 0.00 61.79 61.30 3d7o h SER 72 Cb -0.07 0.03 -0.11 0.00 0.14 0.00 0.00 62.40 62.39 3d7o h SER 72 CO -0.04 0.12 -0.13 0.44 -1.14 0.00 0.00 176.83 176.09 3d7o h ASP 73 N 0.31 -0.51 -0.35 3.07 5.19 -0.59 -2.27 116.42 121.27 3d7o h ASP 73 Ca 0.18 0.17 -0.04 0.00 -0.62 0.00 0.00 57.03 56.73 3d7o h ASP 73 Cb 0.16 0.35 -0.02 0.00 0.18 0.00 0.00 39.33 40.01 3d7o h ASP 73 CO -0.19 -0.18 0.10 1.23 -3.12 0.00 0.00 179.24 177.08 3d7o h GLY 74 N 0.01 0.67 1.88 2.75 0.00 -0.02 -2.78 103.07 105.57 3d7o h GLY 74 Ca 0.29 -0.36 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 3d7o h GLY 74 CO -0.60 0.34 -0.17 1.41 0.00 0.00 0.00 176.54 177.52 3d7o h LEU 75 N 0.61 0.14 -0.02 3.11 3.38 -0.73 -0.52 115.31 121.29 3d7o h LEU 75 Ca 0.14 -0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3d7o h LEU 75 Cb 0.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.94 3d7o h LEU 75 CO -0.00 0.33 0.00 0.00 0.09 0.00 0.00 178.44 178.86 3d7o n ALA 76 N -2.49 2.28 -2.72 1.53 0.00 -0.98 -4.26 120.51 113.86 3d7o n ALA 76 Ca -0.01 -0.06 -0.06 0.00 0.00 0.00 0.00 53.44 53.31 3d7o n ALA 76 Cb 0.28 -1.46 0.04 0.00 0.00 0.00 0.00 19.45 18.31 3d7o n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 3d7o n HIS 77 N -1.84 1.32 -0.32 0.00 8.25 -0.29 -4.95 115.22 117.39 3d7o n HIS 77 Ca 0.06 -2.47 0.16 0.00 -0.26 0.00 0.00 57.72 55.21 3d7o n HIS 77 Cb 0.37 -0.30 0.40 0.00 1.12 0.00 0.00 29.99 31.58 3d7o n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 3d7o h LEU 78 N 2.77 0.63 -0.55 2.41 3.38 -1.50 0.21 115.31 122.67 3d7o h LEU 78 Ca -0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3d7o h LEU 78 Cb 1.23 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.94 3d7o h LEU 78 CO 0.36 0.23 0.00 0.47 0.09 0.00 0.00 178.44 179.59 3d7o n ASP 79 N -4.66 0.83 -3.03 -0.43 8.00 -1.26 -2.74 116.55 113.26 3d7o n ASP 79 Ca 0.22 -1.58 -0.15 0.00 0.71 0.00 0.00 54.79 53.99 3d7o n ASP 79 Cb 0.64 -0.05 0.01 0.00 -0.02 0.00 0.00 41.12 41.69 3d7o n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 3d7o n ASN 80 N -0.23 -0.37 0.04 -2.24 5.15 0.05 -4.85 115.26 112.81 3d7o n ASN 80 Ca 0.15 -3.23 -0.11 0.00 -0.60 0.00 0.00 54.58 50.79 3d7o n ASN 80 Cb 0.19 0.30 0.01 0.00 -0.53 0.00 0.00 39.78 39.75 3d7o n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 3d7o h LEU 81 N 3.10 0.53 0.09 1.20 3.38 -1.67 -2.54 115.31 119.40 3d7o h LEU 81 Ca 0.02 -0.36 0.01 0.00 0.09 0.00 0.00 57.88 57.65 3d7o h LEU 81 Cb 1.01 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.58 3d7o h LEU 81 CO 0.37 1.10 -0.18 0.50 0.09 0.00 0.00 178.44 180.32 3d7o h LYS 82 N 0.30 -0.34 0.02 1.13 3.11 -1.91 0.12 116.57 119.01 3d7o h LYS 82 Ca -0.04 0.02 0.01 0.00 -2.81 0.00 0.00 60.65 57.83 3d7o h LYS 82 Cb 1.33 0.08 -0.01 0.00 -1.00 0.00 0.00 32.23 32.63 3d7o h LYS 82 CO 0.13 -0.22 -0.05 0.78 -2.81 0.00 0.00 179.45 177.28 3d7o h GLY 83 N -0.35 -0.07 0.26 5.01 0.00 -1.98 -1.47 103.07 104.48 3d7o h GLY 83 Ca 0.03 0.06 0.13 0.00 0.00 0.00 0.00 47.33 47.54 3d7o h GLY 83 CO -0.11 -0.05 0.36 -0.84 0.00 0.00 0.00 176.54 175.89 3d7o h THR 84 N -0.10 0.73 -0.10 4.70 2.02 -1.14 -2.98 112.91 116.05 3d7o h THR 84 Ca 0.01 -0.19 0.00 0.00 0.77 0.00 0.00 66.41 67.01 3d7o h THR 84 Cb 0.11 0.14 0.00 0.00 -1.74 0.00 0.00 68.15 66.66 3d7o h THR 84 CO -0.04 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.44 3d7o n PHE 85 N -4.92 0.10 -0.24 3.16 3.01 0.39 -4.62 117.46 114.34 3d7o n PHE 85 Ca 0.14 -0.05 -0.11 0.00 1.01 0.00 0.00 57.45 58.44 3d7o n PHE 85 Cb 0.38 0.00 -0.07 0.00 -0.01 0.00 0.00 39.48 39.78 3d7o n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3d7o h ALA 86 N 4.48 -0.52 -0.15 4.37 0.00 -1.10 0.22 119.26 126.55 3d7o h ALA 86 Ca 0.00 0.08 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3d7o h ALA 86 Cb 0.77 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.67 3d7o h ALA 86 CO 0.00 -0.93 -0.35 1.79 0.00 0.00 0.00 179.25 179.76 3d7o h THR 87 N -0.23 1.29 -0.13 0.00 1.35 -1.83 -1.08 112.91 112.27 3d7o h THR 87 Ca 0.14 -1.40 -0.11 0.00 -0.55 0.00 0.00 66.41 64.50 3d7o h THR 87 Cb 0.54 1.55 -0.01 0.00 -1.73 0.00 0.00 68.15 68.50 3d7o h THR 87 CO -0.73 0.43 -0.39 -0.07 -0.25 0.00 0.00 175.52 174.51 3d7o h LEU 88 N 0.27 0.29 0.09 3.87 3.38 -1.68 -1.71 115.31 119.83 3d7o h LEU 88 Ca 0.03 -0.12 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3d7o h LEU 88 Cb 0.75 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.42 3d7o h LEU 88 CO 0.06 0.65 -0.04 -1.28 0.09 0.00 0.00 178.44 177.92 3d7o h SER 89 N 0.23 -0.10 -0.77 -0.43 0.87 -0.14 0.27 113.55 113.47 3d7o h SER 89 Ca 0.02 -0.31 0.18 0.00 -1.23 0.00 0.00 61.79 60.45 3d7o h SER 89 Cb 0.79 0.03 -0.13 0.00 -0.44 0.00 0.00 62.40 62.65 3d7o h SER 89 CO 0.06 0.26 0.00 -0.33 -0.53 0.00 0.00 176.83 176.30 3d7o h GLU 90 N -0.49 0.09 0.35 2.24 5.08 -1.16 0.12 114.58 120.81 3d7o h GLU 90 Ca -0.01 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.32 3d7o h GLU 90 Cb 0.41 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.64 3d7o h GLU 90 CO 0.02 0.06 -0.17 1.25 -1.00 0.00 0.00 179.01 179.18 3d7o h LEU 91 N 0.10 -0.40 -0.78 1.33 5.85 -1.06 0.09 115.31 120.45 3d7o h LEU 91 Ca 0.42 -0.13 -0.12 0.00 0.84 0.00 0.00 57.88 58.90 3d7o h LEU 91 Cb 0.75 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.86 3d7o h LEU 91 CO -0.68 -0.09 -0.57 0.45 -0.34 0.00 0.00 178.44 177.21 3d7o h HIS 92 N -0.72 0.00 0.00 1.25 3.86 -0.08 -0.38 115.15 119.07 3d7o h HIS 92 Ca -0.05 0.00 -0.04 0.00 -1.16 0.00 0.00 60.37 59.12 3d7o h HIS 92 Cb 0.50 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.96 3d7o h HIS 92 CO 0.01 0.57 -1.00 0.00 0.86 0.00 0.00 177.93 178.38 3d7o h ASP 94 N -1.00 0.95 0.00 0.00 3.45 -1.08 -2.97 116.42 115.77 3d7o h ASP 94 Ca -0.06 -0.54 -0.15 0.00 0.43 0.00 0.00 57.03 56.70 3d7o h ASP 94 Cb 0.93 -0.27 -0.02 0.00 -0.56 0.00 0.00 39.33 39.40 3d7o h ASP 94 CO -0.04 1.32 -0.93 0.11 -1.57 0.00 0.00 179.24 178.13 3d7o h LYS 95 N 0.63 0.00 0.00 3.56 1.57 -1.28 -3.42 116.57 117.63 3d7o h LYS 95 Ca 0.01 0.00 -0.22 0.00 -1.87 0.00 0.00 60.65 58.57 3d7o h LYS 95 Cb 1.16 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 33.43 3d7o h LYS 95 CO 0.12 0.77 -1.43 -0.07 -0.57 0.00 0.00 179.45 178.26 3d7o h LEU 96 N -1.00 0.00 -1.32 2.94 3.38 -1.20 -3.49 115.31 114.62 3d7o h LEU 96 Ca -0.23 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.35 3d7o h LEU 96 Cb 1.07 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.93 3d7o h LEU 96 CO -0.14 0.78 -0.75 1.41 0.09 0.00 0.00 178.44 179.83 3d7o n HIS 97 N -3.01 -2.39 -2.55 1.13 8.25 -0.86 -4.98 115.22 110.80 3d7o n HIS 97 Ca -0.11 0.94 -0.41 0.00 -0.26 0.00 0.00 57.72 57.88 3d7o n HIS 97 Cb 0.93 -4.81 -0.04 0.00 1.12 0.00 0.00 29.99 27.20 3d7o n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 3d7o s VAL 98 N -3.39 4.19 0.24 1.59 1.01 -0.47 -4.99 120.40 118.58 3d7o s VAL 98 Ca 0.28 1.71 -0.30 0.00 0.00 0.00 0.00 61.98 63.68 3d7o s VAL 98 Cb -0.13 -4.09 -0.10 0.00 0.00 0.00 0.00 36.38 32.06 3d7o s VAL 98 CO 0.76 0.21 1.39 -0.62 0.00 0.00 0.00 175.10 176.84 3d7o s ASP 99 N 0.46 6.75 0.38 3.32 2.15 -1.26 -4.79 116.67 123.67 3d7o s ASP 99 Ca 0.52 2.58 0.28 0.00 0.43 0.00 0.00 52.55 56.36 3d7o s ASP 99 Cb -0.27 -2.62 1.29 0.00 -0.30 0.00 0.00 42.92 41.02 3d7o s ASP 99 CO 0.31 -0.63 1.83 1.55 -0.17 0.00 0.00 175.17 178.07 3d7o h PRO 100 N 5.04 0.00 -0.59 4.34 0.13 -1.96 -1.51 132.00 137.44 3d7o h PRO 100 Ca -0.46 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.78 3d7o h PRO 100 Cb 1.22 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 32.31 3d7o h PRO 100 CO 0.77 0.00 0.40 1.49 -0.23 0.00 0.00 178.00 180.43 3d7o h GLU 101 N 0.00 0.35 0.00 0.86 4.57 -1.99 -1.37 114.58 117.00 3d7o h GLU 101 Ca 0.00 -0.02 -0.03 0.00 -1.18 0.00 0.00 59.36 58.13 3d7o h GLU 101 Cb 0.26 -0.08 -0.00 0.00 -0.16 0.00 0.00 28.75 28.76 3d7o h GLU 101 CO 0.00 0.23 -0.14 -0.91 -1.18 0.00 0.00 179.01 177.01 3d7o h ASN 102 N 0.36 0.00 -0.47 1.04 2.35 -1.64 -1.94 115.58 115.27 3d7o h ASN 102 Ca 0.28 0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.97 3d7o h ASN 102 Cb 0.61 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 3d7o h ASN 102 CO -0.07 0.14 0.09 -0.26 -1.65 0.00 0.00 177.43 175.68 3d7o h PHE 103 N 0.00 0.82 -0.64 1.19 0.04 -1.42 0.10 116.94 117.04 3d7o h PHE 103 Ca -0.00 -0.11 -0.06 0.00 2.80 0.00 0.00 57.97 60.60 3d7o h PHE 103 Cb 0.61 -0.23 -0.03 0.00 2.20 0.00 0.00 35.95 38.50 3d7o h PHE 103 CO 0.00 0.76 0.15 -0.09 -0.60 0.00 0.00 178.31 178.53 3d7o h ARG 104 N 0.65 1.02 -0.07 1.51 2.43 -1.38 -1.77 114.38 116.77 3d7o h ARG 104 Ca 0.15 -0.25 -0.00 0.00 -0.81 0.00 0.00 59.98 59.07 3d7o h ARG 104 Cb 0.37 -0.13 -0.00 0.00 -0.42 0.00 0.00 29.97 29.78 3d7o h ARG 104 CO 0.01 0.92 0.04 -0.07 -1.51 0.00 0.00 179.97 179.36 3d7o h LEU 105 N 0.94 0.09 -0.80 3.80 3.38 -1.19 -0.76 115.31 120.78 3d7o h LEU 105 Ca 0.20 -0.07 0.02 0.00 0.09 0.00 0.00 57.88 58.12 3d7o h LEU 105 Cb 0.36 -0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.05 3d7o h LEU 105 CO 0.00 0.14 0.52 0.25 0.09 0.00 0.00 178.44 179.44 3d7o h LEU 106 N 0.03 0.87 -0.25 1.67 5.85 -0.89 0.03 115.31 122.62 3d7o h LEU 106 Ca 0.03 -0.01 0.03 0.00 0.84 0.00 0.00 57.88 58.76 3d7o h LEU 106 Cb 0.07 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.87 3d7o h LEU 106 CO -0.00 0.61 0.08 1.23 -0.34 0.00 0.00 178.44 180.02 3d7o h GLY 107 N 1.02 0.31 1.45 3.75 0.00 -1.06 0.55 103.07 109.09 3d7o h GLY 107 Ca 0.31 -0.05 -0.02 0.00 0.00 0.00 0.00 47.33 47.57 3d7o h GLY 107 CO -0.09 0.02 0.22 3.43 0.00 0.00 0.00 176.54 180.12 3d7o h ASN 108 N 0.19 0.64 -0.26 0.19 2.35 -0.83 -1.24 115.58 116.62 3d7o h ASN 108 Ca 0.11 -0.06 -0.04 0.00 -0.55 0.00 0.00 56.30 55.76 3d7o h ASN 108 Cb 0.09 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 3d7o h ASN 108 CO -0.12 0.56 0.00 0.58 -1.65 0.00 0.00 177.43 176.80 3d7o h VAL 109 N 0.71 1.25 -0.50 2.81 2.07 -0.56 -1.47 116.25 120.56 3d7o h VAL 109 Ca 0.18 -0.91 0.10 0.00 0.82 0.00 0.00 66.70 66.89 3d7o h VAL 109 Cb 0.11 1.33 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 3d7o h VAL 109 CO -0.02 0.29 -0.01 0.25 0.02 0.00 0.00 177.57 178.10 3d7o h LEU 110 N 0.24 -0.23 -0.82 2.57 5.85 -0.63 -0.25 115.31 122.04 3d7o h LEU 110 Ca 0.07 0.12 0.10 0.00 0.84 0.00 0.00 57.88 59.02 3d7o h LEU 110 Cb 0.42 0.22 -0.08 0.00 0.37 0.00 0.00 40.66 41.59 3d7o h LEU 110 CO 0.01 -0.08 0.46 0.58 -0.34 0.00 0.00 178.44 179.07 3d7o h VAL 111 N 0.11 0.87 -0.74 1.05 2.07 -0.92 -0.36 116.25 118.33 3d7o h VAL 111 Ca 0.25 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.46 3d7o h VAL 111 Cb 0.38 0.06 -0.03 0.00 -1.52 0.00 0.00 31.29 30.18 3d7o h VAL 111 CO -0.43 0.14 0.25 0.00 0.02 0.00 0.00 177.57 177.55 3d7o h VAL 113 N 1.09 1.24 -0.52 0.00 2.07 -0.44 -0.84 116.25 118.85 3d7o h VAL 113 Ca 0.24 -0.83 0.03 0.00 0.82 0.00 0.00 66.70 66.96 3d7o h VAL 113 Cb 0.27 1.14 -0.04 0.00 -1.52 0.00 0.00 31.29 31.14 3d7o h VAL 113 CO -0.01 0.28 0.30 -0.07 0.02 0.00 0.00 177.57 178.09 3d7o h LEU 114 N 0.39 0.48 -0.50 2.57 3.38 -0.88 -0.19 115.31 120.56 3d7o h LEU 114 Ca 0.10 0.01 -0.02 0.00 0.09 0.00 0.00 57.88 58.06 3d7o h LEU 114 Cb 0.36 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3d7o h LEU 114 CO 0.01 0.34 0.22 0.00 0.09 0.00 0.00 178.44 179.10 3d7o h ALA 115 N 1.24 0.64 -0.77 1.53 0.00 -0.96 -0.02 119.26 120.93 3d7o h ALA 115 Ca 0.21 -0.13 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3d7o h ALA 115 Cb 0.05 -0.20 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3d7o h ALA 115 CO -0.11 0.22 0.51 1.25 0.00 0.00 0.00 179.25 181.12 3d7o h HIS 116 N 0.66 0.96 -0.05 0.00 -0.00 -0.73 0.43 115.15 116.43 3d7o h HIS 116 Ca 0.17 0.02 -0.22 0.00 -0.00 0.00 0.00 60.37 60.34 3d7o h HIS 116 Cb 0.15 -0.33 0.01 0.00 -0.00 0.00 0.00 27.41 27.25 3d7o h HIS 116 CO -0.00 0.60 -0.82 1.25 -0.00 0.00 0.00 177.93 178.97 3d7o h HIS 117 N 1.04 0.92 0.00 5.26 6.17 -0.83 -3.36 115.15 124.34 3d7o h HIS 117 Ca 0.28 -0.46 0.00 0.00 0.71 0.00 0.00 60.37 60.90 3d7o h HIS 117 Cb -0.12 -0.12 0.00 0.00 2.52 0.00 0.00 27.41 29.69 3d7o h HIS 117 CO -0.02 1.29 -1.39 1.19 0.71 0.00 0.00 177.93 179.71 3d7o n PHE 118 N -4.00 0.31 -4.05 5.26 3.01 -0.04 -5.05 117.46 112.90 3d7o n PHE 118 Ca -0.10 0.09 0.00 0.00 1.01 0.00 0.00 57.45 58.45 3d7o n PHE 118 Cb 0.77 -0.55 0.00 0.00 -0.01 0.00 0.00 39.48 39.69 3d7o n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3d7o n GLY 119 N 1.29 2.79 0.44 1.37 0.00 0.14 -2.13 105.19 109.09 3d7o n GLY 119 Ca -0.01 -0.39 0.25 0.00 0.00 0.00 0.00 46.02 45.87 3d7o n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 3d7o h LYS 120 N 0.00 0.00 0.00 1.61 3.64 -1.97 0.13 116.57 119.99 3d7o h LYS 120 Ca 0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3d7o h LYS 120 Cb 0.00 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.81 3d7o h LYS 120 CO 0.00 0.00 -0.25 1.49 -2.27 0.00 0.00 179.45 178.42 3d7o h GLU 121 N 0.00 0.00 -4.06 1.90 4.81 -1.82 -3.26 114.58 112.15 3d7o h GLU 121 Ca 0.32 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 58.83 3d7o h GLU 121 Cb 1.60 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 30.93 3d7o h GLU 121 CO -0.00 0.25 2.97 0.34 -0.73 0.00 0.00 179.01 181.84 3d7o n PHE 122 N -4.06 3.55 -1.25 0.92 7.35 0.03 -4.92 117.46 119.09 3d7o n PHE 122 Ca -0.02 -2.96 -0.30 0.00 -0.76 0.00 0.00 57.45 53.42 3d7o n PHE 122 Cb 0.31 -2.51 0.14 0.00 0.35 0.00 0.00 39.48 37.78 3d7o n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 3d7o s THR 123 N 2.99 2.57 0.22 -2.13 -4.23 -1.23 -4.66 115.64 109.17 3d7o s THR 123 Ca 0.47 0.18 -0.07 0.00 -1.18 0.00 0.00 61.69 61.09 3d7o s THR 123 Cb 0.13 -2.71 0.18 0.00 1.34 0.00 0.00 72.50 71.44 3d7o s THR 123 CO -0.07 -0.24 1.74 -0.65 -0.54 0.00 0.00 174.62 174.86 3d7o h PRO 124 N -1.56 0.43 -0.71 3.99 0.11 -1.93 0.10 132.00 132.43 3d7o h PRO 124 Ca -0.50 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.51 3d7o h PRO 124 Cb 1.29 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 32.28 3d7o h PRO 124 CO 0.56 0.28 0.16 -1.35 -0.21 0.00 0.00 178.00 177.44 3d7o h PRO 125 N 0.44 1.13 -0.57 1.05 0.11 -1.99 -1.45 132.00 130.72 3d7o h PRO 125 Ca 0.35 -0.28 0.05 0.00 0.11 0.00 0.00 66.00 66.24 3d7o h PRO 125 Cb 0.48 -0.15 -0.05 0.00 0.11 0.00 0.00 31.00 31.39 3d7o h PRO 125 CO -0.35 1.00 0.29 0.28 -0.21 0.00 0.00 178.00 179.02 3d7o h VAL 126 N 1.07 0.94 -0.10 3.15 2.07 -1.77 -1.21 116.25 120.40 3d7o h VAL 126 Ca 0.22 -0.19 0.01 0.00 0.82 0.00 0.00 66.70 67.56 3d7o h VAL 126 Cb 0.38 0.34 -0.01 0.00 -1.52 0.00 0.00 31.29 30.48 3d7o h VAL 126 CO 0.00 0.10 0.01 -0.61 0.02 0.00 0.00 177.57 177.09 3d7o h GLN 127 N 0.56 0.04 -0.44 1.57 4.15 -0.62 -1.60 115.11 118.77 3d7o h GLN 127 Ca 0.26 -0.00 0.09 0.00 0.77 0.00 0.00 58.65 59.77 3d7o h GLN 127 Cb 0.18 -0.01 -0.09 0.00 0.21 0.00 0.00 27.48 27.77 3d7o h GLN 127 CO -0.18 0.03 -0.15 0.00 -1.93 0.00 0.00 178.83 176.60 3d7o h ALA 128 N 1.08 0.22 -0.15 3.38 0.00 -0.80 0.33 119.26 123.33 3d7o h ALA 128 Ca 0.04 0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.15 3d7o h ALA 128 Cb 0.05 0.41 -0.03 0.00 0.00 0.00 0.00 17.79 18.21 3d7o h ALA 128 CO -0.07 -0.49 -0.04 0.00 0.00 0.00 0.00 179.25 178.65 3d7o h ALA 129 N 1.34 0.09 -0.67 0.00 0.00 -1.01 -1.90 119.26 117.11 3d7o h ALA 129 Ca 0.22 0.06 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3d7o h ALA 129 Cb 0.38 0.12 -0.04 0.00 0.00 0.00 0.00 17.79 18.25 3d7o h ALA 129 CO -0.49 -0.49 0.44 1.88 0.00 0.00 0.00 179.25 180.60 3d7o h TYR 130 N -0.01 0.66 -0.73 0.00 0.05 -0.21 -2.24 116.97 114.49 3d7o h TYR 130 Ca 0.07 0.02 -0.02 0.00 0.05 0.00 0.00 58.73 58.84 3d7o h TYR 130 Cb 0.12 -0.22 -0.03 0.00 1.01 0.00 0.00 36.73 37.61 3d7o h TYR 130 CO -0.19 0.34 0.36 1.96 -1.05 0.00 0.00 178.16 179.58 3d7o h GLN 131 N 0.64 1.05 -0.59 4.88 1.08 0.36 -0.13 115.11 122.40 3d7o h GLN 131 Ca 0.30 -0.15 -0.01 0.00 -1.45 0.00 0.00 58.65 57.34 3d7o h GLN 131 Cb 0.33 -0.19 -0.03 0.00 -0.05 0.00 0.00 27.48 27.54 3d7o h GLN 131 CO -0.10 0.81 0.33 0.87 -0.95 0.00 0.00 178.83 179.80 3d7o h LYS 132 N 1.02 0.82 0.21 1.46 1.57 -0.90 -1.36 116.57 119.38 3d7o h LYS 132 Ca 0.25 -0.09 -0.01 0.00 -1.87 0.00 0.00 60.65 58.94 3d7o h LYS 132 Cb 0.11 -0.16 -0.00 0.00 0.08 0.00 0.00 32.23 32.25 3d7o h LYS 132 CO -0.03 0.61 -0.13 0.28 -0.57 0.00 0.00 179.45 179.61 3d7o h VAL 133 N 0.80 0.73 0.00 0.50 2.07 -0.97 -1.55 116.25 117.84 3d7o h VAL 133 Ca 0.21 0.00 -0.10 0.00 0.82 0.00 0.00 66.70 67.63 3d7o h VAL 133 Cb 0.03 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.51 3d7o h VAL 133 CO -0.04 0.00 -0.48 -0.37 0.02 0.00 0.00 177.57 176.70 3d7o h VAL 134 N -0.33 1.12 -0.54 2.57 -1.51 -0.91 -0.76 116.25 115.90 3d7o h VAL 134 Ca -0.02 -1.80 -0.08 0.00 -1.23 0.00 0.00 66.70 63.57 3d7o h VAL 134 Cb 0.27 2.04 -0.02 0.00 -2.13 0.00 0.00 31.29 31.45 3d7o h VAL 134 CO 0.02 0.47 0.02 0.00 -1.23 0.00 0.00 177.57 176.85 3d7o h ALA 135 N 1.52 0.72 -0.29 5.19 0.00 -1.24 -1.35 119.26 123.82 3d7o h ALA 135 Ca -0.00 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.62 3d7o h ALA 135 Cb 1.00 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.57 3d7o h ALA 135 CO 0.06 0.53 0.17 0.78 0.00 0.00 0.00 179.25 180.79 3d7o h GLY 136 N 0.81 0.42 0.79 0.00 0.00 -0.19 -0.73 103.07 104.17 3d7o h GLY 136 Ca 0.15 -0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.31 3d7o h GLY 136 CO 0.02 0.17 -0.13 -2.08 0.00 0.00 0.00 176.54 174.53 3d7o h VAL 137 N 0.36 0.70 -0.46 4.60 2.07 -1.16 -1.08 116.25 121.27 3d7o h VAL 137 Ca 0.10 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.71 3d7o h VAL 137 Cb 0.03 0.70 -0.07 0.00 -1.52 0.00 0.00 31.29 30.43 3d7o h VAL 137 CO -0.02 0.00 0.04 0.00 0.02 0.00 0.00 177.57 177.61 3d7o h ALA 138 N 0.62 0.47 -0.46 1.67 0.00 -1.16 0.23 119.26 120.63 3d7o h ALA 138 Ca 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 3d7o h ALA 138 Cb 0.27 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.23 3d7o h ALA 138 CO -0.06 -0.36 0.25 -0.97 0.00 0.00 0.00 179.25 178.11 3d7o h ASN 139 N 0.16 0.58 -0.61 0.00 -0.73 -0.92 -1.02 115.58 113.04 3d7o h ASN 139 Ca 0.23 -0.09 -0.05 0.00 1.87 0.00 0.00 56.30 58.26 3d7o h ASN 139 Cb 0.32 -0.15 -0.03 0.00 0.27 0.00 0.00 38.32 38.74 3d7o h ASN 139 CO -0.35 0.50 0.19 0.00 -0.37 0.00 0.00 177.43 177.41 3d7o h ALA 140 N 1.10 0.80 0.00 1.57 0.00 -0.81 -2.51 119.26 119.41 3d7o h ALA 140 Ca 0.16 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 3d7o h ALA 140 Cb 0.05 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 3d7o h ALA 140 CO -0.03 0.47 -0.22 1.25 0.00 0.00 0.00 179.25 180.73 3d7o h LEU 141 N 0.87 0.00 -0.72 0.00 5.85 -0.33 -1.92 115.31 119.06 3d7o h LEU 141 Ca 0.20 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.92 3d7o h LEU 141 Cb 0.29 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.32 3d7o h LEU 141 CO -0.01 0.22 0.00 0.00 -0.34 0.00 0.00 178.44 178.31 3d7o n ALA 142 N -2.41 2.58 -0.29 1.25 0.00 -0.41 -4.30 120.51 116.93 3d7o n ALA 142 Ca -0.02 -0.39 0.03 0.00 0.00 0.00 0.00 53.44 53.07 3d7o n ALA 142 Cb 0.29 -1.21 0.24 0.00 0.00 0.00 0.00 19.45 18.77 3d7o n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3d7o h HIS 143 N 1.60 1.03 0.00 0.00 6.17 -0.93 -0.07 115.15 122.94 3d7o h HIS 143 Ca 0.00 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.11 3d7o h HIS 143 Cb 0.34 -0.34 0.00 0.00 2.52 0.00 0.00 27.41 29.93 3d7o h HIS 143 CO 0.04 0.56 0.01 0.87 0.71 0.00 0.00 177.93 180.12 3d7o h LYS 144 N 1.03 0.00 -0.00 5.26 1.79 -1.82 0.12 116.57 122.95 3d7o h LYS 144 Ca 0.37 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.84 3d7o h LYS 144 Cb 0.15 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3d7o h LYS 144 CO -0.13 0.00 -0.37 0.66 -1.08 0.00 0.00 179.45 178.53 3d7o n TYR 145 N -2.84 0.00 1.21 -1.35 4.01 -0.04 -4.95 117.16 113.19 3d7o n TYR 145 Ca -0.03 0.00 0.13 0.00 -0.16 0.00 0.00 57.90 57.84 3d7o n TYR 145 Cb 0.07 -0.21 0.28 0.00 -0.31 0.00 0.00 39.34 39.17 3d7o n TYR 145 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12