#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeo n HIS 2 N 0.00 0.68 -3.65 2.03 -0.00 -1.26 -4.89 115.22 108.13 1yeo n HIS 2 Ca 0.00 -0.21 -0.39 0.00 -0.00 0.00 0.00 57.72 57.12 1yeo n HIS 2 Cb 0.00 -2.14 -0.12 0.00 -0.00 0.00 0.00 29.99 27.73 1yeo n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yeo s LEU 3 N 13.24 4.23 0.89 0.27 1.02 -1.26 -5.10 118.68 131.97 1yeo s LEU 3 Ca 0.75 -0.65 -0.11 0.00 0.02 0.00 0.00 54.13 54.13 1yeo s LEU 3 Cb -0.01 -2.00 0.12 0.00 0.02 0.00 0.00 46.19 44.33 1yeo s LEU 3 CO 0.21 -0.24 1.09 0.42 0.02 0.00 0.00 176.35 177.85 1yeo s THR 4 N 1.59 2.71 0.28 5.49 -4.23 -1.26 -4.79 115.64 115.43 1yeo s THR 4 Ca 0.04 0.23 0.01 0.00 -1.18 0.00 0.00 61.69 60.79 1yeo s THR 4 Cb -0.18 -2.69 0.27 0.00 1.34 0.00 0.00 72.50 71.24 1yeo s THR 4 CO 0.06 -0.30 1.79 -0.65 -0.54 0.00 0.00 174.62 174.98 1yeo h PRO 5 N -1.53 0.77 -0.10 3.99 0.11 -1.99 -1.89 132.00 131.36 1yeo h PRO 5 Ca -0.49 -0.05 -0.15 0.00 0.11 0.00 0.00 66.00 65.42 1yeo h PRO 5 Cb 1.28 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1yeo h PRO 5 CO 0.54 0.51 -0.60 0.93 -0.21 0.00 0.00 178.00 179.16 1yeo h GLU 6 N 0.79 0.33 -0.35 1.05 4.39 -2.00 -2.17 114.58 116.62 1yeo h GLU 6 Ca 0.50 -0.22 -0.05 0.00 0.34 0.00 0.00 59.36 59.93 1yeo h GLU 6 Cb 0.64 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 29.31 1yeo h GLU 6 CO -0.33 0.83 0.03 0.93 -1.16 0.00 0.00 179.01 179.32 1yeo h GLU 7 N 0.24 0.60 -0.53 2.33 5.08 -1.79 -1.24 114.58 119.26 1yeo h GLU 7 Ca -0.01 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1yeo h GLU 7 Cb 1.12 -0.06 -0.02 0.00 0.50 0.00 0.00 28.75 30.28 1yeo h GLU 7 CO 0.10 0.69 0.28 -0.22 -1.00 0.00 0.00 179.01 178.86 1yeo h LYS 8 N 0.42 0.74 -0.12 2.33 3.64 -1.29 0.13 116.57 122.42 1yeo h LYS 8 Ca 0.10 -0.09 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 1yeo h LYS 8 Cb 0.40 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 32.07 1yeo h LYS 8 CO 0.01 0.58 0.08 1.03 -2.27 0.00 0.00 179.45 178.88 1yeo h SER 9 N 0.70 0.14 -0.03 4.20 0.87 -1.31 -0.06 113.55 118.06 1yeo h SER 9 Ca 0.18 -0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.75 1yeo h SER 9 Cb 0.06 -0.03 -0.03 0.00 -0.44 0.00 0.00 62.40 61.95 1yeo h SER 9 CO -0.03 0.12 -0.14 0.00 -0.53 0.00 0.00 176.83 176.25 1yeo h ALA 10 N 1.03 -0.14 0.39 6.23 0.00 -0.75 0.58 119.26 126.60 1yeo h ALA 10 Ca 0.04 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1yeo h ALA 10 Cb 0.00 0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1yeo h ALA 10 CO -0.01 -0.62 -0.49 0.28 0.00 0.00 0.00 179.25 178.41 1yeo h VAL 11 N -0.22 0.00 -0.34 0.00 2.07 -0.54 -1.98 116.25 115.23 1yeo h VAL 11 Ca 0.06 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.61 1yeo h VAL 11 Cb 0.29 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.03 1yeo h VAL 11 CO -0.16 0.00 0.13 0.74 0.02 0.00 0.00 177.57 178.30 1yeo h THR 12 N -0.90 0.91 -0.51 2.57 2.02 -0.82 -1.58 112.91 114.60 1yeo h THR 12 Ca -0.05 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.13 1yeo h THR 12 Cb 0.81 0.61 -0.10 0.00 -1.74 0.00 0.00 68.15 67.73 1yeo h THR 12 CO -0.12 0.05 -0.37 0.00 0.37 0.00 0.00 175.52 175.45 1yeo h ALA 13 N 1.22 -0.21 -0.80 6.16 0.00 0.35 -2.00 119.26 123.98 1yeo h ALA 13 Ca 0.15 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.15 1yeo h ALA 13 Cb 0.12 0.83 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 1yeo h ALA 13 CO -0.15 -0.75 0.37 1.25 0.00 0.00 0.00 179.25 179.96 1yeo h LEU 14 N -0.23 1.07 -1.22 0.00 5.85 -0.89 -3.15 115.31 116.75 1yeo h LEU 14 Ca 0.19 -0.14 -0.07 0.00 0.84 0.00 0.00 57.88 58.70 1yeo h LEU 14 Cb 0.56 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1yeo h LEU 14 CO -0.63 0.91 -0.24 -0.25 -0.34 0.00 0.00 178.44 177.89 1yeo h TRP 15 N 1.15 0.25 0.00 1.25 2.91 -0.55 -1.77 115.95 119.19 1yeo h TRP 15 Ca 0.27 -0.04 0.00 0.00 1.13 0.00 0.00 58.89 60.25 1yeo h TRP 15 Cb 0.15 -0.07 0.00 0.00 -0.51 0.00 0.00 29.16 28.73 1yeo h TRP 15 CO 0.02 0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.30 1yeo n GLY 16 N -0.60 -0.88 0.69 2.65 0.00 -1.03 -1.45 105.19 104.58 1yeo n GLY 16 Ca -0.01 0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.18 1yeo n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yeo n LYS 17 N -1.84 1.71 -2.98 1.61 5.02 -0.66 -4.96 118.16 116.05 1yeo n LYS 17 Ca 0.01 -1.39 -0.40 0.00 -2.02 0.00 0.00 58.31 54.50 1yeo n LYS 17 Cb 0.10 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.59 1yeo n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yeo s VAL 18 N -2.25 4.98 -0.65 -0.18 1.01 -0.53 -5.01 120.40 117.77 1yeo s VAL 18 Ca 0.24 1.51 -0.27 0.00 0.00 0.00 0.00 61.98 63.45 1yeo s VAL 18 Cb 0.19 -4.08 0.03 0.00 0.00 0.00 0.00 36.38 32.53 1yeo s VAL 18 CO 0.44 0.15 1.22 0.21 0.00 0.00 0.00 175.10 177.12 1yeo s ASN 19 N 0.98 6.31 0.06 3.32 3.84 -1.26 -4.92 114.94 123.27 1yeo s ASN 19 Ca 0.37 -0.18 -0.21 0.00 0.21 0.00 0.00 52.86 53.05 1yeo s ASN 19 Cb -0.17 -2.55 -0.12 0.00 -0.55 0.00 0.00 41.25 37.85 1yeo s ASN 19 CO 0.16 -1.64 1.50 -0.37 -2.79 0.00 0.00 177.10 173.96 1yeo h VAL 20 N 6.09 1.24 -0.81 -5.21 -1.51 -1.95 -1.16 116.25 112.95 1yeo h VAL 20 Ca -0.26 -0.80 0.18 0.00 -1.23 0.00 0.00 66.70 64.59 1yeo h VAL 20 Cb 1.05 1.50 -0.15 0.00 -2.13 0.00 0.00 31.29 31.57 1yeo h VAL 20 CO 1.23 0.23 -0.07 0.44 -1.23 0.00 0.00 177.57 178.17 1yeo h ASP 21 N -0.01 -0.52 0.03 4.19 3.32 -1.92 -0.90 116.42 120.62 1yeo h ASP 21 Ca 0.04 0.23 -0.12 0.00 0.02 0.00 0.00 57.03 57.19 1yeo h ASP 21 Cb 0.35 0.43 0.01 0.00 0.22 0.00 0.00 39.33 40.34 1yeo h ASP 21 CO 0.01 -0.24 -0.50 -0.08 -1.72 0.00 0.00 179.24 176.71 1yeo h GLU 22 N 0.05 0.28 -0.17 3.56 4.81 -1.91 -3.16 114.58 118.05 1yeo h GLU 22 Ca 0.43 -0.35 -0.10 0.00 -0.13 0.00 0.00 59.36 59.21 1yeo h GLU 22 Cb 0.74 0.11 -0.01 0.00 0.63 0.00 0.00 28.75 30.22 1yeo h GLU 22 CO -0.77 1.07 -0.32 0.28 -0.73 0.00 0.00 179.01 178.54 1yeo h VAL 23 N -0.35 1.28 -0.35 0.32 2.07 -0.84 -2.19 116.25 116.18 1yeo h VAL 23 Ca -0.07 -1.35 -0.01 0.00 0.82 0.00 0.00 66.70 66.09 1yeo h VAL 23 Cb 1.27 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 1yeo h VAL 23 CO 0.10 0.41 0.17 1.23 0.02 0.00 0.00 177.57 179.50 1yeo h GLY 24 N 1.08 0.54 0.96 2.17 0.00 -1.26 -1.26 103.07 105.31 1yeo h GLY 24 Ca 0.04 -0.27 0.01 0.00 0.00 0.00 0.00 47.33 47.10 1yeo h GLY 24 CO 0.05 0.26 0.05 -1.33 0.00 0.00 0.00 176.54 175.57 1yeo h GLY 25 N 0.43 0.13 0.77 4.60 0.00 -1.44 -1.71 103.07 105.85 1yeo h GLY 25 Ca 0.12 -0.04 0.05 0.00 0.00 0.00 0.00 47.33 47.46 1yeo h GLY 25 CO -0.01 0.03 0.41 0.83 0.00 0.00 0.00 176.54 177.79 1yeo h GLU 26 N 0.11 0.75 -0.13 4.80 4.39 -1.21 -1.04 114.58 122.25 1yeo h GLU 26 Ca 0.04 -0.04 -0.08 0.00 0.34 0.00 0.00 59.36 59.62 1yeo h GLU 26 Cb 0.00 -0.17 0.00 0.00 -0.10 0.00 0.00 28.75 28.49 1yeo h GLU 26 CO -0.03 0.49 -0.23 0.00 -1.16 0.00 0.00 179.01 178.08 1yeo h ALA 27 N 1.33 0.20 -0.38 3.43 0.00 -1.02 0.15 119.26 122.96 1yeo h ALA 27 Ca 0.29 -0.38 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1yeo h ALA 27 Cb 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 1yeo h ALA 27 CO -0.15 0.17 -0.00 1.25 0.00 0.00 0.00 179.25 180.51 1yeo h LEU 28 N -0.03 0.67 -0.57 0.00 5.85 -1.26 -1.32 115.31 118.64 1yeo h LEU 28 Ca 0.01 -0.31 0.03 0.00 0.84 0.00 0.00 57.88 58.45 1yeo h LEU 28 Cb 0.82 -0.18 -0.04 0.00 0.37 0.00 0.00 40.66 41.63 1yeo h LEU 28 CO 0.05 0.82 0.33 1.23 -0.34 0.00 0.00 178.44 180.54 1yeo h GLY 29 N 0.50 0.82 1.52 3.75 0.00 -1.19 -2.09 103.07 106.39 1yeo h GLY 29 Ca 0.11 -0.25 -0.08 0.00 0.00 0.00 0.00 47.33 47.11 1yeo h GLY 29 CO 0.02 0.19 -0.15 3.21 0.00 0.00 0.00 176.54 179.81 1yeo h ARG 30 N 0.65 0.57 -0.39 4.80 3.08 -0.56 -2.17 114.38 120.36 1yeo h ARG 30 Ca 0.24 -0.18 0.04 0.00 0.07 0.00 0.00 59.98 60.15 1yeo h ARG 30 Cb 0.07 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.02 1yeo h ARG 30 CO -0.12 0.70 0.15 1.25 -1.07 0.00 0.00 179.97 180.88 1yeo h LEU 31 N 0.52 0.18 -1.05 3.04 5.85 -0.86 0.17 115.31 123.16 1yeo h LEU 31 Ca 0.09 0.04 -0.05 0.00 0.84 0.00 0.00 57.88 58.79 1yeo h LEU 31 Cb 0.56 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1yeo h LEU 31 CO 0.04 0.14 -0.26 -0.07 -0.34 0.00 0.00 178.44 177.95 1yeo h LEU 32 N 0.32 0.00 0.05 2.25 3.38 -0.89 -2.44 115.31 117.99 1yeo h LEU 32 Ca 0.18 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.98 1yeo h LEU 32 Cb 0.14 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.88 1yeo h LEU 32 CO -0.17 0.26 -0.88 0.58 0.09 0.00 0.00 178.44 178.32 1yeo h VAL 33 N 0.00 1.29 -0.02 1.22 2.07 -0.88 -3.30 116.25 116.62 1yeo h VAL 33 Ca -0.00 -2.34 -0.18 0.00 0.82 0.00 0.00 66.70 64.99 1yeo h VAL 33 Cb 0.79 2.85 -0.01 0.00 -1.52 0.00 0.00 31.29 33.40 1yeo h VAL 33 CO 0.03 0.57 -0.79 0.58 0.02 0.00 0.00 177.57 177.98 1yeo h VAL 34 N -0.70 1.47 -2.46 2.57 2.07 -0.74 -3.36 116.25 115.10 1yeo h VAL 34 Ca -0.21 -2.45 -0.60 0.00 0.82 0.00 0.00 66.70 64.26 1yeo h VAL 34 Cb 1.40 2.34 -0.41 0.00 -1.52 0.00 0.00 31.29 33.10 1yeo h VAL 34 CO -0.02 0.71 -0.68 -1.22 0.02 0.00 0.00 177.57 176.39 1yeo n TYR 35 N -3.71 2.66 0.27 1.57 4.01 -0.92 -4.98 117.16 116.07 1yeo n TYR 35 Ca -0.03 -4.06 0.18 0.00 -0.16 0.00 0.00 57.90 53.82 1yeo n TYR 35 Cb 0.75 -0.49 0.89 0.00 -0.31 0.00 0.00 39.34 40.18 1yeo n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yeo h PRO 36 N 4.65 0.00 -0.03 -0.72 0.11 -1.73 -1.44 132.00 132.84 1yeo h PRO 36 Ca 0.17 0.00 0.01 0.00 0.11 0.00 0.00 66.00 66.29 1yeo h PRO 36 Cb 0.74 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.85 1yeo h PRO 36 CO 0.72 0.00 0.02 0.00 -0.21 0.00 0.00 178.00 178.53 1yeo h ALA 37 N 1.59 1.92 0.00 -0.75 0.00 -1.92 -2.15 119.26 117.94 1yeo h ALA 37 Ca 0.05 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1yeo h ALA 37 Cb 0.56 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1yeo h ALA 37 CO -0.00 -0.04 0.00 0.25 0.00 0.00 0.00 179.25 179.46 1yeo n THR 38 N -4.36 0.00 0.45 0.00 -2.24 -0.54 -2.13 114.28 105.45 1yeo n THR 38 Ca -0.02 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.87 1yeo n THR 38 Cb 0.12 -0.26 0.01 0.00 -2.10 0.00 0.00 70.33 68.11 1yeo n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yeo n GLN 39 N -0.18 0.37 0.31 -0.78 6.02 -0.81 -4.08 117.38 118.23 1yeo n GLN 39 Ca 0.00 0.01 0.21 0.00 -0.01 0.00 0.00 57.00 57.21 1yeo n GLN 39 Cb 0.10 -1.63 1.11 0.00 1.02 0.00 0.00 30.24 30.84 1yeo n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1yeo h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.64 -2.25 114.38 109.50 1yeo h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yeo h ARG 40 Cb 0.79 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.87 1yeo h ARG 40 CO 0.00 0.00 -0.59 1.19 0.10 0.00 0.00 179.97 180.67 1yeo n PHE 41 N -2.96 0.00 -2.27 4.08 3.72 -1.26 -4.45 117.46 114.33 1yeo n PHE 41 Ca -0.03 0.00 -0.10 0.00 -0.05 0.00 0.00 57.45 57.27 1yeo n PHE 41 Cb 0.08 -0.12 0.05 0.00 -0.94 0.00 0.00 39.48 38.55 1yeo n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yeo n PHE 42 N -1.11 1.72 0.23 1.38 3.72 -0.85 -4.86 117.46 117.69 1yeo n PHE 42 Ca 0.07 -1.97 0.15 0.00 -0.05 0.00 0.00 57.45 55.65 1yeo n PHE 42 Cb 0.36 -0.28 0.81 0.00 -0.94 0.00 0.00 39.48 39.42 1yeo n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1yeo h GLU 43 N 2.07 0.00 0.00 -1.08 4.11 -1.78 -0.56 114.58 117.35 1yeo h GLU 43 Ca 0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.54 1yeo h GLU 43 Cb 1.42 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.67 1yeo h GLU 43 CO 0.43 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 178.38 1yeo n SER 44 N -4.03 0.00 0.00 3.06 3.41 -1.26 -3.17 113.62 111.63 1yeo n SER 44 Ca -0.00 0.28 0.16 0.00 -0.26 0.00 0.00 58.87 59.04 1yeo n SER 44 Cb 0.21 -0.40 0.91 0.00 -0.26 0.00 0.00 64.21 64.66 1yeo n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yeo n PHE 45 N -1.40 0.00 -0.22 7.33 3.01 -0.22 -5.00 117.46 120.95 1yeo n PHE 45 Ca 0.07 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.53 1yeo n PHE 45 Cb 0.20 -0.05 0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1yeo n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yeo n GLY 46 N 1.01 0.68 3.67 1.37 0.00 -1.19 -4.86 105.19 105.88 1yeo n GLY 46 Ca 0.22 -1.11 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 1yeo n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yeo s ASP 47 N -4.00 7.06 -0.09 1.61 2.15 -1.26 -4.91 116.67 117.23 1yeo s ASP 47 Ca 0.00 1.32 0.15 0.00 0.43 0.00 0.00 52.55 54.45 1yeo s ASP 47 Cb 0.00 -2.50 0.32 0.00 -0.30 0.00 0.00 42.92 40.43 1yeo s ASP 47 CO 0.00 -0.50 1.15 0.18 -0.17 0.00 0.00 175.17 175.83 1yeo n LEU 48 N 5.54 1.64 0.10 -1.34 4.77 -1.26 -4.41 117.00 122.05 1yeo n LEU 48 Ca 0.08 -2.65 -0.04 0.00 -0.03 0.00 0.00 56.01 53.37 1yeo n LEU 48 Cb 0.48 -0.26 0.11 0.00 -2.33 0.00 0.00 43.42 41.42 1yeo n LEU 48 CO 0.50 0.79 0.44 0.77 -1.33 0.00 0.00 177.39 178.56 1yeo h SER 49 N 0.61 0.15 -3.29 -1.43 4.64 -1.91 -3.44 113.55 108.87 1yeo h SER 49 Ca -0.07 -0.09 -0.48 0.00 -0.47 0.00 0.00 61.79 60.68 1yeo h SER 49 Cb 1.33 -0.04 -0.14 0.00 -0.31 0.00 0.00 62.40 63.24 1yeo h SER 49 CO 0.03 0.77 -0.59 0.42 -0.87 0.00 0.00 176.83 176.59 1yeo s THR 50 N -3.57 1.04 0.19 2.95 -4.23 -1.26 -5.04 115.64 105.72 1yeo s THR 50 Ca -0.02 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.37 1yeo s THR 50 Cb 0.12 -2.70 0.11 0.00 1.34 0.00 0.00 72.50 71.37 1yeo s THR 50 CO 0.79 0.00 1.84 -0.65 -0.54 0.00 0.00 174.62 176.06 1yeo h PRO 51 N 2.07 0.77 -0.54 3.99 0.11 -1.99 -1.98 132.00 134.44 1yeo h PRO 51 Ca -0.40 -0.05 -0.08 0.00 0.11 0.00 0.00 66.00 65.58 1yeo h PRO 51 Cb 1.25 -0.17 -0.02 0.00 0.11 0.00 0.00 31.00 32.17 1yeo h PRO 51 CO 0.67 0.51 0.00 -0.44 -0.21 0.00 0.00 178.00 178.54 1yeo h ASP 52 N 0.80 0.92 -0.66 -2.05 3.32 -1.98 0.05 116.42 116.82 1yeo h ASP 52 Ca 0.24 -0.30 0.08 0.00 0.02 0.00 0.00 57.03 57.07 1yeo h ASP 52 Cb -0.03 -0.25 -0.04 0.00 0.22 0.00 0.00 39.33 39.23 1yeo h ASP 52 CO -0.08 1.00 0.44 0.00 -1.72 0.00 0.00 179.24 178.88 1yeo h ALA 53 N 0.95 1.87 0.00 3.45 0.00 -1.81 -2.05 119.26 121.67 1yeo h ALA 53 Ca 0.15 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yeo h ALA 53 Cb 0.53 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 1yeo h ALA 53 CO 0.03 0.00 -0.34 0.28 0.00 0.00 0.00 179.25 179.22 1yeo h VAL 54 N 0.57 1.05 0.00 0.00 2.07 -0.85 -3.17 116.25 115.92 1yeo h VAL 54 Ca 0.30 -1.90 -0.01 0.00 0.82 0.00 0.00 66.70 65.90 1yeo h VAL 54 Cb 0.42 2.10 -0.00 0.00 -1.52 0.00 0.00 31.29 32.29 1yeo h VAL 54 CO -0.10 0.36 -0.06 0.24 0.02 0.00 0.00 177.57 178.03 1yeo h MET 55 N -1.00 0.00 -0.02 1.57 2.07 -0.96 -2.61 114.93 113.99 1yeo h MET 55 Ca -0.08 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.55 1yeo h MET 55 Cb 0.82 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.55 1yeo h MET 55 CO -0.05 0.06 -0.29 0.41 1.07 0.00 0.00 176.91 178.12 1yeo n GLY 56 N -1.33 0.32 3.65 8.32 0.00 -0.78 -4.83 105.19 110.54 1yeo n GLY 56 Ca -0.03 -0.62 -0.42 0.00 0.00 0.00 0.00 46.02 44.95 1yeo n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yeo s ASN 57 N -2.18 6.38 0.58 1.61 3.84 -0.98 -4.86 114.94 119.32 1yeo s ASN 57 Ca 0.21 2.45 0.28 0.00 0.21 0.00 0.00 52.86 56.00 1yeo s ASN 57 Cb 0.18 -2.53 1.68 0.00 -0.55 0.00 0.00 41.25 40.02 1yeo s ASN 57 CO 0.45 -1.14 2.16 -0.65 -2.79 0.00 0.00 177.10 175.13 1yeo h PRO 58 N 10.87 0.00 0.04 0.43 0.11 -1.92 -1.18 132.00 140.35 1yeo h PRO 58 Ca -0.46 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.43 1yeo h PRO 58 Cb 1.22 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1yeo h PRO 58 CO 0.95 0.00 -1.01 0.87 -0.21 0.00 0.00 178.00 178.60 1yeo h LYS 59 N 0.00 0.15 -0.22 1.05 1.57 -1.89 -1.52 116.57 115.71 1yeo h LYS 59 Ca 0.05 -0.21 -0.04 0.00 -1.87 0.00 0.00 60.65 58.58 1yeo h LYS 59 Cb 0.28 0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 1yeo h LYS 59 CO -0.00 1.03 -0.04 0.28 -0.57 0.00 0.00 179.45 180.15 1yeo h VAL 60 N 0.06 1.28 -0.39 0.50 2.07 -1.56 -1.94 116.25 116.26 1yeo h VAL 60 Ca -0.06 -1.00 -0.00 0.00 0.82 0.00 0.00 66.70 66.46 1yeo h VAL 60 Cb 1.70 1.48 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1yeo h VAL 60 CO 0.15 0.31 0.24 0.11 0.02 0.00 0.00 177.57 178.40 1yeo h LYS 61 N 0.16 0.53 -0.70 1.57 1.57 -1.24 -0.40 116.57 118.05 1yeo h LYS 61 Ca 0.06 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.80 1yeo h LYS 61 Cb 0.48 -0.11 -0.03 0.00 0.08 0.00 0.00 32.23 32.64 1yeo h LYS 61 CO 0.02 0.38 0.45 0.00 -0.57 0.00 0.00 179.45 179.73 1yeo h ALA 62 N 1.11 0.89 -0.37 3.86 0.00 -1.25 -2.63 119.26 120.87 1yeo h ALA 62 Ca 0.14 -0.06 -0.16 0.00 0.00 0.00 0.00 54.91 54.83 1yeo h ALA 62 Cb -0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 1yeo h ALA 62 CO -0.03 0.34 -0.39 1.25 0.00 0.00 0.00 179.25 180.42 1yeo h HIS 63 N 0.96 1.10 -0.84 0.00 -0.00 -1.11 -2.53 115.15 112.72 1yeo h HIS 63 Ca 0.26 -0.34 0.07 0.00 -0.00 0.00 0.00 60.37 60.36 1yeo h HIS 63 Cb -0.08 -0.23 -0.05 0.00 -0.00 0.00 0.00 27.41 27.05 1yeo h HIS 63 CO -0.02 1.16 0.55 0.78 -0.00 0.00 0.00 177.93 180.40 1yeo h GLY 64 N 0.73 1.18 0.94 5.26 0.00 -0.94 0.42 103.07 110.67 1yeo h GLY 64 Ca 0.06 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 1yeo h GLY 64 CO 0.10 0.26 0.05 1.70 0.00 0.00 0.00 176.54 178.64 1yeo h LYS 65 N 0.91 0.69 -0.17 4.80 3.64 -1.34 -0.38 116.57 124.73 1yeo h LYS 65 Ca 0.37 -0.19 0.05 0.00 -1.27 0.00 0.00 60.65 59.60 1yeo h LYS 65 Cb 0.25 -0.08 -0.05 0.00 -0.41 0.00 0.00 32.23 31.95 1yeo h LYS 65 CO -0.14 0.74 -0.16 -0.22 -2.27 0.00 0.00 179.45 177.41 1yeo h LYS 66 N 0.53 -0.17 -0.45 1.90 3.64 -0.66 -1.61 116.57 119.75 1yeo h LYS 66 Ca 0.12 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.50 1yeo h LYS 66 Cb 0.40 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.24 1yeo h LYS 66 CO 0.01 -0.12 0.24 0.28 -2.27 0.00 0.00 179.45 177.60 1yeo h VAL 67 N -0.18 1.17 -0.33 2.00 2.07 -0.65 -2.60 116.25 117.73 1yeo h VAL 67 Ca 0.11 -0.44 -0.06 0.00 0.82 0.00 0.00 66.70 67.12 1yeo h VAL 67 Cb 0.34 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 1yeo h VAL 67 CO -0.27 0.18 -0.07 -0.07 0.02 0.00 0.00 177.57 177.35 1yeo h LEU 68 N 0.59 0.51 -0.95 2.57 -0.00 -0.87 -0.95 115.31 116.22 1yeo h LEU 68 Ca 0.16 -0.12 -0.03 0.00 -0.00 0.00 0.00 57.88 57.89 1yeo h LEU 68 Cb 0.07 -0.14 -0.04 0.00 -0.00 0.00 0.00 40.66 40.56 1yeo h LEU 68 CO -0.02 0.63 0.38 1.23 -0.00 0.00 0.00 178.44 180.65 1yeo h GLY 69 N 0.90 1.20 1.67 0.83 0.00 -0.93 0.92 103.07 107.67 1yeo h GLY 69 Ca 0.10 -0.59 -0.16 0.00 0.00 0.00 0.00 47.33 46.68 1yeo h GLY 69 CO 0.02 0.56 -0.62 0.00 0.00 0.00 0.00 176.54 176.50 1yeo h ALA 70 N 1.30 0.77 -0.46 3.60 0.00 -1.12 -2.29 119.26 121.05 1yeo h ALA 70 Ca 0.27 -0.55 0.01 0.00 0.00 0.00 0.00 54.91 54.64 1yeo h ALA 70 Cb 0.11 -0.08 -0.03 0.00 0.00 0.00 0.00 17.79 17.80 1yeo h ALA 70 CO -0.03 0.73 0.30 0.35 0.00 0.00 0.00 179.25 180.59 1yeo h PHE 71 N 0.24 0.56 -0.30 0.00 3.04 -0.60 -2.48 116.94 117.41 1yeo h PHE 71 Ca -0.01 0.01 0.07 0.00 3.98 0.00 0.00 57.97 62.02 1yeo h PHE 71 Cb 1.15 -0.19 -0.07 0.00 2.56 0.00 0.00 35.95 39.40 1yeo h PHE 71 CO 0.03 0.35 -0.15 0.77 -2.02 0.00 0.00 178.31 177.29 1yeo h SER 72 N 0.61 -0.49 -0.59 0.41 0.02 -0.31 -1.80 113.55 111.39 1yeo h SER 72 Ca 0.17 0.12 0.12 0.00 -0.84 0.00 0.00 61.79 61.36 1yeo h SER 72 Cb -0.05 0.27 -0.09 0.00 0.14 0.00 0.00 62.40 62.67 1yeo h SER 72 CO -0.05 -0.18 0.06 0.44 -1.14 0.00 0.00 176.83 175.95 1yeo h ASP 73 N -0.10 -0.15 -0.58 3.07 3.32 -1.09 -0.04 116.42 120.85 1yeo h ASP 73 Ca 0.16 0.13 0.10 0.00 0.02 0.00 0.00 57.03 57.44 1yeo h ASP 73 Cb 0.34 0.21 -0.11 0.00 0.22 0.00 0.00 39.33 39.99 1yeo h ASP 73 CO -0.36 -0.06 -0.33 1.23 -1.72 0.00 0.00 179.24 178.00 1yeo h GLY 74 N 0.17 -0.09 1.79 2.75 0.00 -0.90 0.23 103.07 107.02 1yeo h GLY 74 Ca 0.31 0.42 0.02 0.00 0.00 0.00 0.00 47.33 48.08 1yeo h GLY 74 CO -0.46 -0.21 0.09 1.41 0.00 0.00 0.00 176.54 177.37 1yeo h LEU 75 N -0.16 0.00 -0.51 3.11 3.38 -0.56 0.10 115.31 120.68 1yeo h LEU 75 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1yeo h LEU 75 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 1yeo h LEU 75 CO -0.67 0.00 0.00 0.00 0.09 0.00 0.00 178.44 177.86 1yeo n ALA 76 N -2.34 2.57 -2.71 1.53 0.00 0.77 -3.97 120.51 116.37 1yeo n ALA 76 Ca -0.01 -0.30 -0.05 0.00 0.00 0.00 0.00 53.44 53.08 1yeo n ALA 76 Cb 0.18 -1.21 0.09 0.00 0.00 0.00 0.00 19.45 18.51 1yeo n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeo n HIS 77 N -0.29 -1.02 0.21 0.00 8.25 0.32 -4.96 115.22 117.74 1yeo n HIS 77 Ca 0.15 -2.07 0.11 0.00 -0.26 0.00 0.00 57.72 55.65 1yeo n HIS 77 Cb 0.19 0.90 0.58 0.00 1.12 0.00 0.00 29.99 32.78 1yeo n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1yeo h LEU 78 N 2.01 0.00 -2.08 2.41 3.38 -1.59 -0.04 115.31 119.40 1yeo h LEU 78 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 1yeo h LEU 78 Cb 1.27 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1yeo h LEU 78 CO 0.05 0.00 0.00 0.47 0.09 0.00 0.00 178.44 179.05 1yeo n ASP 79 N -2.36 3.01 -2.96 -0.43 8.00 -1.26 -4.40 116.55 116.15 1yeo n ASP 79 Ca -0.01 -1.90 -0.14 0.00 0.71 0.00 0.00 54.79 53.44 1yeo n ASP 79 Cb 0.24 -0.12 0.01 0.00 -0.02 0.00 0.00 41.12 41.23 1yeo n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yeo n ASN 80 N 1.24 0.68 -0.14 -2.24 5.15 -0.03 -4.96 115.26 114.96 1yeo n ASN 80 Ca 0.15 -2.94 -0.06 0.00 -0.60 0.00 0.00 54.58 51.13 1yeo n ASN 80 Cb 0.54 -0.33 0.12 0.00 -0.53 0.00 0.00 39.78 39.58 1yeo n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yeo h LEU 81 N 2.96 0.84 -0.51 1.20 3.38 -1.76 -2.20 115.31 119.21 1yeo h LEU 81 Ca 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 57.88 57.74 1yeo h LEU 81 Cb 1.06 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1yeo h LEU 81 CO 0.45 0.91 0.25 0.11 0.09 0.00 0.00 178.44 180.25 1yeo h LYS 82 N 0.81 0.74 -0.16 1.13 1.57 -1.92 -1.98 116.57 116.75 1yeo h LYS 82 Ca 0.15 -0.10 -0.04 0.00 -1.87 0.00 0.00 60.65 58.79 1yeo h LYS 82 Cb 0.49 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.66 1yeo h LYS 82 CO 0.02 0.60 -0.07 0.78 -0.57 0.00 0.00 179.45 180.22 1yeo h GLY 83 N 0.69 0.35 0.30 3.86 0.00 -1.92 -2.34 103.07 104.00 1yeo h GLY 83 Ca 0.18 -0.31 0.13 0.00 0.00 0.00 0.00 47.33 47.33 1yeo h GLY 83 CO -0.02 0.28 0.38 -0.84 0.00 0.00 0.00 176.54 176.34 1yeo h THR 84 N 0.00 0.76 -0.65 4.70 2.02 -1.37 -2.78 112.91 115.59 1yeo h THR 84 Ca 0.04 -0.20 0.00 0.00 0.77 0.00 0.00 66.41 67.01 1yeo h THR 84 Cb 0.53 0.12 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1yeo h THR 84 CO 0.02 0.11 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1yeo n PHE 85 N -4.89 0.87 -0.09 3.16 3.72 -0.75 -4.61 117.46 114.87 1yeo n PHE 85 Ca 0.14 -0.43 -0.08 0.00 -0.05 0.00 0.00 57.45 57.03 1yeo n PHE 85 Cb 0.37 -0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.90 1yeo n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yeo h ALA 86 N 4.40 0.39 -0.31 4.37 0.00 -1.12 -0.06 119.26 126.93 1yeo h ALA 86 Ca 0.00 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.79 1yeo h ALA 86 Cb 1.00 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.68 1yeo h ALA 86 CO 0.00 -0.18 -0.26 1.79 0.00 0.00 0.00 179.25 180.60 1yeo h THR 87 N 0.38 1.27 -0.20 0.00 1.35 -1.81 -2.45 112.91 111.45 1yeo h THR 87 Ca 0.12 -1.34 -0.08 0.00 -0.55 0.00 0.00 66.41 64.56 1yeo h THR 87 Cb -0.01 1.32 -0.01 0.00 -1.73 0.00 0.00 68.15 67.72 1yeo h THR 87 CO -0.05 0.43 -0.24 -0.07 -0.25 0.00 0.00 175.52 175.34 1yeo h LEU 88 N 0.53 0.36 0.27 3.87 4.07 -1.79 -2.12 115.31 120.51 1yeo h LEU 88 Ca 0.07 -0.11 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1yeo h LEU 88 Cb 0.73 -0.10 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1yeo h LEU 88 CO 0.06 0.61 -0.13 -1.28 -1.08 0.00 0.00 178.44 176.61 1yeo h SER 89 N 0.33 -0.31 -0.84 -0.43 0.87 -0.67 -0.74 113.55 111.76 1yeo h SER 89 Ca 0.05 -0.03 0.01 0.00 -1.23 0.00 0.00 61.79 60.59 1yeo h SER 89 Cb 0.60 0.08 -0.04 0.00 -0.44 0.00 0.00 62.40 62.60 1yeo h SER 89 CO 0.04 -0.17 0.56 -0.33 -0.53 0.00 0.00 176.83 176.40 1yeo h GLU 90 N -0.43 1.10 0.19 2.24 5.08 -1.43 -0.89 114.58 120.44 1yeo h GLU 90 Ca -0.04 -0.07 -0.01 0.00 -1.00 0.00 0.00 59.36 58.25 1yeo h GLU 90 Cb 0.33 -0.25 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1yeo h GLU 90 CO 0.06 0.73 -0.09 1.25 -1.00 0.00 0.00 179.01 179.96 1yeo h LEU 91 N 1.13 -0.22 -1.03 1.33 5.85 -1.20 0.38 115.31 121.54 1yeo h LEU 91 Ca 0.31 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.03 1yeo h LEU 91 Cb -0.12 0.06 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1yeo h LEU 91 CO -0.07 -0.14 0.59 0.45 -0.34 0.00 0.00 178.44 178.93 1yeo h HIS 92 N -0.28 1.20 0.20 1.25 3.86 -0.84 -1.51 115.15 119.04 1yeo h HIS 92 Ca -0.03 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.19 1yeo h HIS 92 Cb 0.21 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1yeo h HIS 92 CO -0.06 0.78 -0.10 0.00 0.86 0.00 0.00 177.93 179.41 1yeo h ASP 94 N -0.51 0.43 0.00 0.00 3.32 -0.27 -2.63 116.42 116.76 1yeo h ASP 94 Ca -0.03 -0.24 -0.30 0.00 0.02 0.00 0.00 57.03 56.49 1yeo h ASP 94 Cb 0.21 -0.12 -0.05 0.00 0.22 0.00 0.00 39.33 39.58 1yeo h ASP 94 CO 0.04 0.91 -2.12 0.29 -1.72 0.00 0.00 179.24 176.65 1yeo n LYS 95 N -3.92 0.91 0.01 3.56 4.01 -0.64 -4.67 118.16 117.42 1yeo n LYS 95 Ca -0.03 0.06 0.11 0.00 -0.51 0.00 0.00 58.31 57.95 1yeo n LYS 95 Cb 0.60 -1.40 -0.14 0.00 -0.51 0.00 0.00 35.03 33.58 1yeo n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1yeo n LEU 96 N -2.87 0.18 -3.67 -0.35 4.77 -0.78 -4.99 117.00 109.29 1yeo n LEU 96 Ca -0.31 0.02 -0.21 0.00 -0.03 0.00 0.00 56.01 55.47 1yeo n LEU 96 Cb 0.94 -0.01 0.04 0.00 -2.33 0.00 0.00 43.42 42.06 1yeo n LEU 96 CO 0.26 -0.01 -0.02 1.41 -1.33 0.00 0.00 177.39 177.70 1yeo n HIS 97 N -2.27 -2.00 -3.30 -1.77 8.25 0.17 -4.95 115.22 109.35 1yeo n HIS 97 Ca -0.03 0.86 -0.39 0.00 -0.26 0.00 0.00 57.72 57.90 1yeo n HIS 97 Cb 0.55 -4.49 -0.08 0.00 1.12 0.00 0.00 29.99 27.10 1yeo n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yeo s VAL 98 N -3.59 5.12 0.08 1.59 1.01 -0.54 -5.02 120.40 119.06 1yeo s VAL 98 Ca 0.06 0.77 -0.31 0.00 0.00 0.00 0.00 61.98 62.51 1yeo s VAL 98 Cb -0.03 -3.78 -0.10 0.00 0.00 0.00 0.00 36.38 32.48 1yeo s VAL 98 CO 0.80 0.14 1.89 -0.62 0.00 0.00 0.00 175.10 177.31 1yeo s ASP 99 N 1.45 6.44 0.62 3.32 -1.08 -1.26 -4.72 116.67 121.43 1yeo s ASP 99 Ca 0.19 2.72 0.31 0.00 -0.52 0.00 0.00 52.55 55.26 1yeo s ASP 99 Cb -0.15 -2.55 1.75 0.00 -1.46 0.00 0.00 42.92 40.50 1yeo s ASP 99 CO 0.09 -1.03 2.08 -0.65 0.52 0.00 0.00 175.17 176.18 1yeo h PRO 100 N 9.47 0.00 -0.70 4.34 0.11 -1.97 -0.52 132.00 142.72 1yeo h PRO 100 Ca -0.47 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.82 1yeo h PRO 100 Cb 1.23 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1yeo h PRO 100 CO 0.95 0.00 0.49 1.49 -0.21 0.00 0.00 178.00 180.72 1yeo h GLU 101 N 0.00 0.11 0.00 1.05 4.57 -1.99 0.38 114.58 118.71 1yeo h GLU 101 Ca 0.07 -0.01 -0.02 0.00 -1.18 0.00 0.00 59.36 58.22 1yeo h GLU 101 Cb 0.54 -0.03 -0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1yeo h GLU 101 CO -0.00 0.08 -0.08 -0.91 -1.18 0.00 0.00 179.01 176.92 1yeo h ASN 102 N 0.12 0.00 -0.10 1.04 4.21 -1.46 -2.60 115.58 116.78 1yeo h ASN 102 Ca 0.34 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.78 1yeo h ASN 102 Cb 1.17 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 38.36 1yeo h ASN 102 CO -0.04 0.08 -0.14 -0.26 -1.29 0.00 0.00 177.43 175.77 1yeo h PHE 103 N 0.00 0.50 -0.08 1.19 0.04 -0.43 -2.46 116.94 115.70 1yeo h PHE 103 Ca -0.00 -0.08 -0.15 0.00 2.80 0.00 0.00 57.97 60.54 1yeo h PHE 103 Cb 0.29 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.29 1yeo h PHE 103 CO 0.00 0.59 -0.60 0.00 -0.60 0.00 0.00 178.31 177.70 1yeo h ARG 104 N 0.43 0.27 -0.24 1.51 3.08 -1.54 -1.96 114.38 115.92 1yeo h ARG 104 Ca 0.08 -0.18 -0.02 0.00 0.07 0.00 0.00 59.98 59.92 1yeo h ARG 104 Cb 0.50 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 1yeo h ARG 104 CO 0.03 0.79 0.05 -0.07 -1.07 0.00 0.00 179.97 179.70 1yeo h LEU 105 N 0.20 0.37 -0.74 3.04 3.38 -1.47 -1.61 115.31 118.48 1yeo h LEU 105 Ca -0.01 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1yeo h LEU 105 Cb 1.11 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.72 1yeo h LEU 105 CO 0.09 0.51 0.36 0.25 0.09 0.00 0.00 178.44 179.75 1yeo h LEU 106 N 0.21 0.96 -0.70 1.67 5.85 -1.37 -1.56 115.31 120.37 1yeo h LEU 106 Ca 0.08 -0.13 0.05 0.00 0.84 0.00 0.00 57.88 58.71 1yeo h LEU 106 Cb 0.29 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.02 1yeo h LEU 106 CO 0.00 0.82 0.42 1.23 -0.34 0.00 0.00 178.44 180.57 1yeo h GLY 107 N 1.04 1.03 1.29 3.75 0.00 -1.09 -0.34 103.07 108.74 1yeo h GLY 107 Ca 0.25 -0.31 -0.21 0.00 0.00 0.00 0.00 47.33 47.07 1yeo h GLY 107 CO -0.03 0.22 -0.73 3.43 0.00 0.00 0.00 176.54 179.44 1yeo h ASN 108 N 0.79 0.82 -0.65 0.19 2.35 -1.03 -2.52 115.58 115.54 1yeo h ASN 108 Ca 0.30 -0.52 0.01 0.00 -0.55 0.00 0.00 56.30 55.54 1yeo h ASN 108 Cb 0.11 -0.24 -0.03 0.00 0.05 0.00 0.00 38.32 38.21 1yeo h ASN 108 CO -0.15 1.30 0.43 0.58 -1.65 0.00 0.00 177.43 177.95 1yeo h VAL 109 N 0.49 1.16 -0.19 2.81 2.07 -0.96 -1.59 116.25 120.04 1yeo h VAL 109 Ca -0.04 -0.30 -0.07 0.00 0.82 0.00 0.00 66.70 67.11 1yeo h VAL 109 Cb 1.33 0.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1yeo h VAL 109 CO 0.14 0.16 -0.21 0.25 0.02 0.00 0.00 177.57 177.94 1yeo h LEU 110 N 0.87 0.33 -0.33 2.57 5.85 -0.86 -1.46 115.31 122.28 1yeo h LEU 110 Ca 0.24 -0.09 -0.07 0.00 0.84 0.00 0.00 57.88 58.79 1yeo h LEU 110 Cb -0.08 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 40.85 1yeo h LEU 110 CO -0.05 0.56 -0.08 0.58 -0.34 0.00 0.00 178.44 179.10 1yeo h VAL 111 N 0.31 1.28 -0.94 1.05 2.07 -0.88 -1.61 116.25 117.53 1yeo h VAL 111 Ca 0.05 -1.13 0.05 0.00 0.82 0.00 0.00 66.70 66.49 1yeo h VAL 111 Cb 0.55 1.34 -0.06 0.00 -1.52 0.00 0.00 31.29 31.59 1yeo h VAL 111 CO 0.04 0.37 0.61 0.00 0.02 0.00 0.00 177.57 178.60 1yeo h VAL 113 N 1.14 1.26 -0.93 0.00 2.07 -1.14 -0.23 116.25 118.42 1yeo h VAL 113 Ca 0.39 -1.00 0.04 0.00 0.82 0.00 0.00 66.70 66.96 1yeo h VAL 113 Cb 0.08 1.19 -0.06 0.00 -1.52 0.00 0.00 31.29 30.99 1yeo h VAL 113 CO -0.15 0.33 0.60 -0.07 0.02 0.00 0.00 177.57 178.31 1yeo h LEU 114 N 0.46 0.99 -0.97 2.57 3.38 -0.94 -0.10 115.31 120.71 1yeo h LEU 114 Ca 0.10 -0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.99 1yeo h LEU 114 Cb 0.47 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.99 1yeo h LEU 114 CO 0.02 0.66 -0.16 0.00 0.09 0.00 0.00 178.44 179.05 1yeo h ALA 115 N 1.40 1.13 -0.35 1.53 0.00 -0.80 -0.65 119.26 121.52 1yeo h ALA 115 Ca 0.38 -0.31 -0.06 0.00 0.00 0.00 0.00 54.91 54.92 1yeo h ALA 115 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1yeo h ALA 115 CO -0.14 0.54 -0.03 1.25 0.00 0.00 0.00 179.25 180.88 1yeo h HIS 116 N 0.52 0.70 -0.12 0.00 -0.00 -0.28 -0.43 115.15 115.53 1yeo h HIS 116 Ca 0.09 -0.13 -0.18 0.00 -0.00 0.00 0.00 60.37 60.15 1yeo h HIS 116 Cb 0.57 -0.18 -0.00 0.00 -0.00 0.00 0.00 27.41 27.80 1yeo h HIS 116 CO 0.02 0.76 -0.66 0.45 -0.00 0.00 0.00 177.93 178.50 1yeo h HIS 117 N 0.43 0.62 -0.00 5.26 -0.00 -0.66 -3.34 115.15 117.46 1yeo h HIS 117 Ca 0.09 -0.25 0.00 0.00 -0.00 0.00 0.00 60.37 60.21 1yeo h HIS 117 Cb 0.50 -0.10 0.00 0.00 -0.00 0.00 0.00 27.41 27.80 1yeo h HIS 117 CO 0.04 1.00 -0.66 1.19 -0.00 0.00 0.00 177.93 179.50 1yeo n PHE 118 N -3.89 0.00 0.00 2.45 3.72 -0.28 -5.03 117.46 114.43 1yeo n PHE 118 Ca -0.04 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.36 1yeo n PHE 118 Cb 0.67 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.21 1yeo n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeo n GLY 119 N 1.33 2.26 0.00 1.37 0.00 -0.17 -3.20 105.19 106.78 1yeo n GLY 119 Ca 0.04 0.37 0.00 0.00 0.00 0.00 0.00 46.02 46.43 1yeo n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1yeo n LYS 120 N 10.64 0.00 0.00 1.61 0.00 -1.26 -2.11 118.16 127.03 1yeo n LYS 120 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.31 1yeo n LYS 120 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 35.03 35.03 1yeo n LYS 120 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 1yeo n GLU 121 N 0.00 0.00 -1.42 -1.58 1.02 -1.19 -3.32 120.64 114.14 1yeo n GLU 121 Ca 0.00 0.00 -0.40 0.00 -0.02 0.00 0.00 57.16 56.74 1yeo n GLU 121 Cb 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 31.44 31.40 1yeo n GLU 121 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1yeo n PHE 122 N 0.00 2.71 -1.07 -0.32 7.35 -0.90 -4.88 117.46 120.35 1yeo n PHE 122 Ca 0.00 -3.05 -0.31 0.00 -0.76 0.00 0.00 57.45 53.33 1yeo n PHE 122 Cb 0.00 -2.51 0.13 0.00 0.35 0.00 0.00 39.48 37.45 1yeo n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeo s THR 123 N 2.47 2.81 0.20 -2.13 -4.23 -1.21 -4.67 115.64 108.88 1yeo s THR 123 Ca 0.63 0.26 -0.12 0.00 -1.18 0.00 0.00 61.69 61.28 1yeo s THR 123 Cb 0.17 -2.61 0.16 0.00 1.34 0.00 0.00 72.50 71.56 1yeo s THR 123 CO -0.07 -0.34 1.68 -0.65 -0.54 0.00 0.00 174.62 174.70 1yeo h PRO 124 N -1.47 0.12 -0.54 3.99 0.11 -1.94 0.14 132.00 132.40 1yeo h PRO 124 Ca -0.45 -0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1yeo h PRO 124 Cb 1.25 -0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1yeo h PRO 124 CO 0.49 0.08 0.36 -1.35 -0.21 0.00 0.00 178.00 177.37 1yeo h PRO 125 N 0.13 0.69 -0.03 1.05 0.11 -1.97 0.34 132.00 132.31 1yeo h PRO 125 Ca 0.28 -0.04 -0.20 0.00 0.11 0.00 0.00 66.00 66.15 1yeo h PRO 125 Cb 0.43 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.38 1yeo h PRO 125 CO -0.45 0.46 -0.81 0.28 -0.21 0.00 0.00 178.00 177.26 1yeo h VAL 126 N 0.71 1.42 -0.49 3.15 2.07 -1.47 -2.73 116.25 118.91 1yeo h VAL 126 Ca 0.20 -2.34 -0.02 0.00 0.82 0.00 0.00 66.70 65.37 1yeo h VAL 126 Cb -0.04 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 31.98 1yeo h VAL 126 CO -0.05 0.69 0.24 -0.61 0.02 0.00 0.00 177.57 177.86 1yeo h GLN 127 N 0.21 0.70 -0.98 1.57 4.15 0.49 -2.41 115.11 118.84 1yeo h GLN 127 Ca -0.05 -0.10 0.03 0.00 0.77 0.00 0.00 58.65 59.30 1yeo h GLN 127 Cb 1.41 -0.13 -0.05 0.00 0.21 0.00 0.00 27.48 28.92 1yeo h GLN 127 CO 0.13 0.58 0.64 0.00 -1.93 0.00 0.00 178.83 178.26 1yeo h ALA 128 N 1.08 1.28 -0.54 3.38 0.00 -0.84 -0.31 119.26 123.31 1yeo h ALA 128 Ca 0.17 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.91 1yeo h ALA 128 Cb 0.11 -0.36 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1yeo h ALA 128 CO -0.02 0.56 -0.13 0.00 0.00 0.00 0.00 179.25 179.66 1yeo h ALA 129 N 1.39 0.74 -0.08 0.00 0.00 -1.29 -2.66 119.26 117.36 1yeo h ALA 129 Ca 0.38 -0.36 -0.08 0.00 0.00 0.00 0.00 54.91 54.85 1yeo h ALA 129 Cb -0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1yeo h ALA 129 CO -0.11 0.68 -0.33 1.88 0.00 0.00 0.00 179.25 181.37 1yeo h TYR 130 N 0.92 0.17 -0.38 0.00 0.05 -0.81 -2.56 116.97 114.36 1yeo h TYR 130 Ca 0.14 -0.04 -0.13 0.00 0.05 0.00 0.00 58.73 58.75 1yeo h TYR 130 Cb 0.71 -0.04 -0.01 0.00 1.01 0.00 0.00 36.73 38.39 1yeo h TYR 130 CO 0.05 0.47 -0.28 1.96 -1.05 0.00 0.00 178.16 179.31 1yeo h GLN 131 N 0.13 0.81 -0.66 4.88 1.08 -0.88 0.90 115.11 121.37 1yeo h GLN 131 Ca 0.02 -0.36 -0.04 0.00 -1.45 0.00 0.00 58.65 56.82 1yeo h GLN 131 Cb 0.65 -0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 28.03 1yeo h GLN 131 CO 0.05 0.99 0.25 0.87 -0.95 0.00 0.00 178.83 180.03 1yeo h LYS 132 N 0.69 1.00 -0.40 1.46 1.57 -1.28 -1.65 116.57 117.96 1yeo h LYS 132 Ca 0.08 -0.19 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 1yeo h LYS 132 Cb 0.81 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.95 1yeo h LYS 132 CO 0.07 0.85 -0.08 0.28 -0.57 0.00 0.00 179.45 179.99 1yeo h VAL 133 N 0.95 1.27 -0.17 0.50 2.07 -1.13 0.08 116.25 119.82 1yeo h VAL 133 Ca 0.22 -1.17 -0.13 0.00 0.82 0.00 0.00 66.70 66.45 1yeo h VAL 133 Cb 0.23 1.21 -0.01 0.00 -1.52 0.00 0.00 31.29 31.20 1yeo h VAL 133 CO -0.02 0.39 -0.44 -0.37 0.02 0.00 0.00 177.57 177.16 1yeo h VAL 134 N 0.58 1.31 -0.37 2.57 -1.51 -0.73 0.16 116.25 118.26 1yeo h VAL 134 Ca 0.10 -1.61 -0.02 0.00 -1.23 0.00 0.00 66.70 63.94 1yeo h VAL 134 Cb 0.60 1.67 -0.02 0.00 -2.13 0.00 0.00 31.29 31.41 1yeo h VAL 134 CO 0.04 0.49 0.16 0.00 -1.23 0.00 0.00 177.57 177.03 1yeo h ALA 135 N 1.20 0.48 -0.45 5.19 0.00 -1.16 -0.60 119.26 123.93 1yeo h ALA 135 Ca 0.03 -0.13 0.02 0.00 0.00 0.00 0.00 54.91 54.83 1yeo h ALA 135 Cb 0.91 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.52 1yeo h ALA 135 CO 0.08 0.08 0.27 0.78 0.00 0.00 0.00 179.25 180.45 1yeo h GLY 136 N 0.46 0.63 1.04 0.00 0.00 -0.46 0.52 103.07 105.27 1yeo h GLY 136 Ca 0.13 -0.20 -0.05 0.00 0.00 0.00 0.00 47.33 47.21 1yeo h GLY 136 CO -0.01 0.18 0.30 -2.08 0.00 0.00 0.00 176.54 174.92 1yeo h VAL 137 N 0.54 1.26 -0.45 4.60 2.07 -0.77 -0.81 116.25 122.69 1yeo h VAL 137 Ca 0.18 -0.83 -0.12 0.00 0.82 0.00 0.00 66.70 66.76 1yeo h VAL 137 Cb 0.01 0.36 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 1yeo h VAL 137 CO -0.08 0.33 -0.18 0.00 0.02 0.00 0.00 177.57 177.67 1yeo h ALA 138 N 1.15 0.63 -0.56 1.67 0.00 -0.29 -1.17 119.26 120.70 1yeo h ALA 138 Ca 0.25 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 1yeo h ALA 138 Cb 0.23 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 1yeo h ALA 138 CO -0.02 0.59 0.26 -0.91 0.00 0.00 0.00 179.25 179.17 1yeo h ASN 139 N 0.76 0.74 0.08 0.00 2.35 -0.80 -1.65 115.58 117.07 1yeo h ASN 139 Ca 0.11 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1yeo h ASN 139 Cb 0.74 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.92 1yeo h ASN 139 CO 0.06 0.67 -0.10 0.00 -1.65 0.00 0.00 177.43 176.41 1yeo h ALA 140 N 1.10 1.74 0.00 -0.83 0.00 -0.90 -1.45 119.26 118.92 1yeo h ALA 140 Ca 0.19 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 54.94 1yeo h ALA 140 Cb 0.14 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1yeo h ALA 140 CO -0.02 0.19 -0.17 -0.07 0.00 0.00 0.00 179.25 179.19 1yeo h LEU 141 N 0.07 0.00 0.00 0.00 3.38 -0.73 -3.16 115.31 114.88 1yeo h LEU 141 Ca 0.02 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1yeo h LEU 141 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 1yeo h LEU 141 CO 0.01 0.17 -0.67 0.00 0.09 0.00 0.00 178.44 178.04 1yeo h ALA 142 N 1.83 0.71 -0.93 1.53 0.00 -0.35 -3.40 119.26 118.65 1yeo h ALA 142 Ca -0.00 -0.24 0.11 0.00 0.00 0.00 0.00 54.91 54.77 1yeo h ALA 142 Cb 0.96 0.03 -0.08 0.00 0.00 0.00 0.00 17.79 18.70 1yeo h ALA 142 CO 0.02 0.29 0.57 1.25 0.00 0.00 0.00 179.25 181.38 1yeo h HIS 143 N 0.00 1.03 -0.37 0.00 6.17 -1.33 -2.39 115.15 118.27 1yeo h HIS 143 Ca -0.03 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.08 1yeo h HIS 143 Cb 1.18 -0.32 0.00 0.00 2.52 0.00 0.00 27.41 30.79 1yeo h HIS 143 CO 0.00 0.42 0.00 1.63 0.71 0.00 0.00 177.93 180.69 1yeo n LYS 144 N -4.66 1.85 -2.30 5.26 4.76 -1.26 -4.90 118.16 116.91 1yeo n LYS 144 Ca 0.17 -1.32 -0.41 0.00 -2.87 0.00 0.00 58.31 53.88 1yeo n LYS 144 Cb 0.31 -1.29 -0.03 0.00 -1.84 0.00 0.00 35.03 32.19 1yeo n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yeo s TYR 145 N -1.51 3.33 0.00 2.13 1.51 -0.90 -4.72 117.35 117.18 1yeo s TYR 145 Ca 0.25 1.46 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1yeo s TYR 145 Cb 0.13 -3.50 0.00 0.00 -0.11 0.00 0.00 41.96 38.48 1yeo s TYR 145 CO 0.17 -1.35 0.00 -2.39 -1.11 0.00 0.00 175.55 170.87