#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeq n HIS 2 N 0.00 -0.42 -3.41 1.12 -0.00 -1.26 -4.88 115.22 106.36 1yeq n HIS 2 Ca 0.00 0.11 -0.39 0.00 -0.00 0.00 0.00 57.72 57.44 1yeq n HIS 2 Cb 0.00 -0.68 -0.09 0.00 -0.00 0.00 0.00 29.99 29.22 1yeq n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yeq s LEU 3 N -4.12 4.11 0.43 0.27 1.43 -1.26 -5.05 118.68 114.49 1yeq s LEU 3 Ca 0.06 0.15 -0.26 0.00 -1.03 0.00 0.00 54.13 53.05 1yeq s LEU 3 Cb -0.03 -2.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.72 1yeq s LEU 3 CO 0.23 -0.20 1.44 -0.89 0.23 0.00 0.00 176.35 177.16 1yeq s THR 4 N 2.03 2.07 0.33 5.49 2.01 -1.26 -4.63 115.64 121.68 1yeq s THR 4 Ca 0.13 0.06 0.10 0.00 0.31 0.00 0.00 61.69 62.30 1yeq s THR 4 Cb -0.16 -3.04 0.33 0.00 0.01 0.00 0.00 72.50 69.64 1yeq s THR 4 CO 0.10 0.01 1.75 -0.65 -0.69 0.00 0.00 174.62 175.15 1yeq h PRO 5 N 2.49 0.57 0.00 4.92 0.11 -1.99 1.56 132.00 139.66 1yeq h PRO 5 Ca -0.51 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.57 1yeq h PRO 5 Cb 1.26 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1yeq h PRO 5 CO 0.62 0.38 0.00 -0.85 -0.21 0.00 0.00 178.00 177.94 1yeq n GLU 6 N -4.80 0.16 0.06 1.05 0.00 -1.26 -2.14 120.64 113.71 1yeq n GLU 6 Ca 0.26 0.23 -0.22 0.00 0.00 0.00 0.00 57.16 57.43 1yeq n GLU 6 Cb 0.73 -1.73 -0.15 0.00 0.00 0.00 0.00 31.44 30.29 1yeq n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1yeq h GLU 7 N 0.00 0.35 -0.14 3.44 5.08 0.17 -2.20 114.58 121.28 1yeq h GLU 7 Ca 0.00 -0.59 0.04 0.00 -1.00 0.00 0.00 59.36 57.81 1yeq h GLU 7 Cb 0.54 0.22 -0.05 0.00 0.50 0.00 0.00 28.75 29.96 1yeq h GLU 7 CO 0.00 1.26 -0.14 0.87 -1.00 0.00 0.00 179.01 180.00 1yeq h LYS 8 N 0.09 -0.16 -0.85 2.33 1.57 -0.40 -2.05 116.57 117.10 1yeq h LYS 8 Ca -0.35 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.42 1yeq h LYS 8 Cb 2.08 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 34.38 1yeq h LYS 8 CO 0.16 -0.11 0.45 1.03 -0.57 0.00 0.00 179.45 180.41 1yeq h SER 9 N -0.17 1.08 0.24 0.86 0.87 -1.53 -1.94 113.55 112.97 1yeq h SER 9 Ca 0.10 -0.11 -0.01 0.00 -1.23 0.00 0.00 61.79 60.54 1yeq h SER 9 Cb 0.31 -0.28 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 1yeq h SER 9 CO -0.24 0.89 -0.16 0.00 -0.53 0.00 0.00 176.83 176.78 1yeq h ALA 10 N 1.24 -0.38 0.53 6.23 0.00 -1.05 -2.76 119.26 123.08 1yeq h ALA 10 Ca 0.30 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1yeq h ALA 10 Cb 0.06 0.20 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 1yeq h ALA 10 CO -0.04 -0.72 -0.37 0.28 0.00 0.00 0.00 179.25 178.39 1yeq h VAL 11 N -0.39 0.25 -0.47 0.00 2.07 -1.18 -3.20 116.25 113.32 1yeq h VAL 11 Ca -0.02 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.59 1yeq h VAL 11 Cb 0.33 0.25 -0.10 0.00 -1.52 0.00 0.00 31.29 30.25 1yeq h VAL 11 CO 0.02 0.00 -0.33 0.74 0.02 0.00 0.00 177.57 178.02 1yeq h THR 12 N -0.87 0.21 0.00 2.57 2.02 -1.33 -1.75 112.91 113.77 1yeq h THR 12 Ca -0.06 0.00 -0.02 0.00 0.77 0.00 0.00 66.41 67.10 1yeq h THR 12 Cb 0.72 0.21 -0.00 0.00 -1.74 0.00 0.00 68.15 67.34 1yeq h THR 12 CO 0.03 0.00 -0.09 0.00 0.37 0.00 0.00 175.52 175.83 1yeq h ALA 13 N 0.85 1.50 0.22 6.16 0.00 -1.52 -2.33 119.26 124.14 1yeq h ALA 13 Ca 0.19 -0.08 -0.33 0.00 0.00 0.00 0.00 54.91 54.70 1yeq h ALA 13 Cb 0.54 -0.01 0.03 0.00 0.00 0.00 0.00 17.79 18.34 1yeq h ALA 13 CO -0.59 0.11 -1.49 1.25 0.00 0.00 0.00 179.25 178.53 1yeq h LEU 14 N 0.00 0.73 -0.68 0.00 5.85 -1.34 -3.30 115.31 116.57 1yeq h LEU 14 Ca -0.00 -0.82 0.03 0.00 0.84 0.00 0.00 57.88 57.92 1yeq h LEU 14 Cb 0.20 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 1yeq h LEU 14 CO 0.01 1.65 0.43 -0.25 -0.34 0.00 0.00 178.44 179.94 1yeq h TRP 15 N 0.13 0.80 0.00 1.25 2.91 -0.88 -0.85 115.95 119.30 1yeq h TRP 15 Ca -0.25 0.02 0.00 0.00 1.13 0.00 0.00 58.89 59.79 1yeq h TRP 15 Cb 2.13 -0.26 0.00 0.00 -0.51 0.00 0.00 29.16 30.51 1yeq h TRP 15 CO 0.11 0.46 0.00 0.41 -1.03 0.00 0.00 178.44 178.39 1yeq n GLY 16 N -1.29 -0.07 0.01 2.65 0.00 -0.97 0.35 105.19 105.87 1yeq n GLY 16 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 46.02 46.09 1yeq n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yeq n LYS 17 N -0.75 2.68 -2.87 1.61 5.02 -0.33 -5.04 118.16 118.49 1yeq n LYS 17 Ca 0.01 -1.47 -0.41 0.00 -2.02 0.00 0.00 58.31 54.42 1yeq n LYS 17 Cb 0.00 -0.98 -0.04 0.00 -0.02 0.00 0.00 35.03 33.99 1yeq n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1yeq s VAL 18 N -1.01 4.86 -1.06 -0.18 1.01 0.15 -4.98 120.40 119.19 1yeq s VAL 18 Ca 0.01 1.78 -0.17 0.00 0.00 0.00 0.00 61.98 63.61 1yeq s VAL 18 Cb 0.01 -4.19 0.14 0.00 0.00 0.00 0.00 36.38 32.34 1yeq s VAL 18 CO 0.00 0.25 1.30 0.21 0.00 0.00 0.00 175.10 176.86 1yeq s ASN 19 N 0.61 6.80 0.25 3.32 3.84 -1.26 -4.89 114.94 123.61 1yeq s ASN 19 Ca 0.44 -2.38 -0.01 0.00 0.21 0.00 0.00 52.86 51.12 1yeq s ASN 19 Cb -0.20 -2.42 0.55 0.00 -0.55 0.00 0.00 41.25 38.62 1yeq s ASN 19 CO 0.24 -0.99 1.32 0.52 -2.79 0.00 0.00 177.10 175.40 1yeq n VAL 20 N 5.33 -0.35 -0.20 -5.21 0.31 -1.26 -1.15 118.33 115.79 1yeq n VAL 20 Ca 0.31 1.88 -0.04 0.00 -0.01 0.00 0.00 64.34 66.48 1yeq n VAL 20 Cb 0.47 -2.69 0.06 0.00 -0.91 0.00 0.00 33.84 30.77 1yeq n VAL 20 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1yeq h ASP 21 N 0.00 0.51 0.00 4.52 5.19 -1.97 0.83 116.42 125.51 1yeq h ASP 21 Ca 0.47 0.02 -0.01 0.00 -0.62 0.00 0.00 57.03 56.88 1yeq h ASP 21 Cb 0.89 -0.09 0.00 0.00 0.18 0.00 0.00 39.33 40.32 1yeq h ASP 21 CO -0.82 0.35 -0.06 -0.33 -3.12 0.00 0.00 179.24 175.26 1yeq h GLU 22 N 0.64 0.03 -0.61 3.56 5.08 -1.56 -3.17 114.58 118.55 1yeq h GLU 22 Ca 0.25 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.59 1yeq h GLU 22 Cb 0.10 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.32 1yeq h GLU 22 CO -0.14 0.86 0.39 0.28 -1.00 0.00 0.00 179.01 179.40 1yeq h VAL 23 N -0.77 1.11 -0.04 3.13 2.07 -1.36 -0.20 116.25 120.18 1yeq h VAL 23 Ca -0.01 -0.27 0.04 0.00 0.82 0.00 0.00 66.70 67.28 1yeq h VAL 23 Cb 0.88 0.26 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1yeq h VAL 23 CO 0.01 0.14 -0.24 1.23 0.02 0.00 0.00 177.57 178.74 1yeq h GLY 24 N 0.78 -0.32 1.32 2.17 0.00 -0.93 -0.65 103.07 105.43 1yeq h GLY 24 Ca 0.24 0.29 -0.13 0.00 0.00 0.00 0.00 47.33 47.72 1yeq h GLY 24 CO -0.08 -0.20 -0.32 -1.33 0.00 0.00 0.00 176.54 174.61 1yeq h GLY 25 N -0.35 0.83 1.96 4.60 0.00 -1.50 -2.49 103.07 106.11 1yeq h GLY 25 Ca 0.07 -0.78 -0.06 0.00 0.00 0.00 0.00 47.33 46.56 1yeq h GLY 25 CO -0.24 0.71 -0.25 -2.09 0.00 0.00 0.00 176.54 174.67 1yeq h GLU 26 N 0.65 0.05 0.00 4.80 4.57 -0.80 -0.37 114.58 123.48 1yeq h GLU 26 Ca 0.07 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.23 1yeq h GLU 26 Cb 0.85 -0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.44 1yeq h GLU 26 CO 0.07 0.30 -0.07 0.00 -1.18 0.00 0.00 179.01 178.14 1yeq h ALA 27 N 1.70 0.01 -0.75 2.92 0.00 -1.01 -1.99 119.26 120.14 1yeq h ALA 27 Ca 0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.56 1yeq h ALA 27 Cb 0.47 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1yeq h ALA 27 CO 0.03 0.04 0.45 1.25 0.00 0.00 0.00 179.25 181.03 1yeq h LEU 28 N -1.00 0.90 -0.85 0.00 5.85 -1.48 -1.54 115.31 117.19 1yeq h LEU 28 Ca -0.01 -0.06 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1yeq h LEU 28 Cb 0.64 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 1yeq h LEU 28 CO -0.01 0.70 0.24 1.23 -0.34 0.00 0.00 178.44 180.26 1yeq h GLY 29 N 1.03 1.16 2.00 3.75 0.00 -1.18 -2.28 103.07 107.56 1yeq h GLY 29 Ca 0.27 -0.66 -0.01 0.00 0.00 0.00 0.00 47.33 46.93 1yeq h GLY 29 CO -0.05 0.62 -0.06 3.21 0.00 0.00 0.00 176.54 180.26 1yeq h ARG 30 N 1.05 0.00 0.05 4.80 3.08 -0.81 -2.21 114.38 120.34 1yeq h ARG 30 Ca 0.23 0.00 -0.19 0.00 0.07 0.00 0.00 59.98 60.09 1yeq h ARG 30 Cb 0.27 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.34 1yeq h ARG 30 CO -0.01 0.06 -0.79 1.25 -1.07 0.00 0.00 179.97 179.41 1yeq h LEU 31 N 0.00 0.60 -1.08 3.04 5.85 -0.77 0.17 115.31 123.12 1yeq h LEU 31 Ca -0.00 -0.81 -0.09 0.00 0.84 0.00 0.00 57.88 57.82 1yeq h LEU 31 Cb 0.68 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 41.51 1yeq h LEU 31 CO 0.01 1.35 -0.34 -0.07 -0.34 0.00 0.00 178.44 179.05 1yeq h LEU 32 N -0.07 0.22 0.09 2.25 3.38 -1.33 -0.29 115.31 119.57 1yeq h LEU 32 Ca -0.11 -0.08 -0.21 0.00 0.09 0.00 0.00 57.88 57.57 1yeq h LEU 32 Cb 1.51 -0.06 -0.00 0.00 0.09 0.00 0.00 40.66 42.20 1yeq h LEU 32 CO 0.15 0.55 -1.07 0.58 0.09 0.00 0.00 178.44 178.74 1yeq h VAL 33 N 0.19 1.22 -0.05 1.22 2.07 -1.41 -3.27 116.25 116.23 1yeq h VAL 33 Ca 0.02 -2.39 -0.19 0.00 0.82 0.00 0.00 66.70 64.97 1yeq h VAL 33 Cb 0.69 2.84 -0.01 0.00 -1.52 0.00 0.00 31.29 33.30 1yeq h VAL 33 CO 0.05 0.64 -0.77 0.58 0.02 0.00 0.00 177.57 178.09 1yeq h VAL 34 N -0.51 1.41 -2.52 2.57 2.07 -0.68 -3.34 116.25 115.25 1yeq h VAL 34 Ca -0.23 -2.26 -0.61 0.00 0.82 0.00 0.00 66.70 64.42 1yeq h VAL 34 Cb 1.57 2.21 -0.42 0.00 -1.52 0.00 0.00 31.29 33.13 1yeq h VAL 34 CO 0.03 0.67 -0.62 -1.22 0.02 0.00 0.00 177.57 176.45 1yeq n TYR 35 N -3.79 3.15 0.25 1.57 4.01 -0.12 -4.96 117.16 117.28 1yeq n TYR 35 Ca -0.04 -4.16 0.15 0.00 -0.16 0.00 0.00 57.90 53.69 1yeq n TYR 35 Cb 0.73 -0.55 0.67 0.00 -0.31 0.00 0.00 39.34 39.88 1yeq n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1yeq h PRO 36 N 4.66 0.00 -0.26 -0.72 0.11 -1.70 -0.20 132.00 133.90 1yeq h PRO 36 Ca 0.18 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.22 1yeq h PRO 36 Cb 0.71 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.81 1yeq h PRO 36 CO 0.76 0.00 -0.12 0.10 -0.21 0.00 0.00 178.00 178.53 1yeq h TYR 37 N 0.00 0.47 0.00 0.65 -0.00 -1.91 -2.30 116.97 113.87 1yeq h TYR 37 Ca 0.07 -0.07 0.00 0.00 0.00 0.00 0.00 58.73 58.73 1yeq h TYR 37 Cb 1.06 -0.13 0.00 0.00 0.00 0.00 0.00 36.73 37.67 1yeq h TYR 37 CO 0.00 0.55 0.00 0.25 -0.00 0.00 0.00 178.16 178.96 1yeq n THR 38 N -4.22 1.38 0.30 -0.90 -2.24 -0.09 -2.15 114.28 106.36 1yeq n THR 38 Ca 0.00 0.46 0.19 0.00 -2.27 0.00 0.00 64.05 62.43 1yeq n THR 38 Cb 0.31 -1.39 1.01 0.00 -2.10 0.00 0.00 70.33 68.16 1yeq n THR 38 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1yeq h GLN 39 N 0.00 0.00 -0.53 -0.78 4.20 -1.59 -2.64 115.11 113.77 1yeq h GLN 39 Ca 0.00 0.00 0.09 0.00 0.06 0.00 0.00 58.65 58.80 1yeq h GLN 39 Cb 0.11 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.86 1yeq h GLN 39 CO 0.00 0.00 0.36 0.07 -0.67 0.00 0.00 178.83 178.59 1yeq h ARG 40 N 0.00 0.33 -0.00 1.46 0.11 -1.66 -2.28 114.38 112.34 1yeq h ARG 40 Ca 0.02 -0.02 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yeq h ARG 40 Cb 0.23 -0.07 0.00 0.00 1.11 0.00 0.00 29.97 31.24 1yeq h ARG 40 CO -0.00 0.22 -0.10 1.19 0.10 0.00 0.00 179.97 181.38 1yeq n PHE 41 N -4.46 0.00 -1.01 4.08 3.72 -0.99 -3.98 117.46 114.81 1yeq n PHE 41 Ca 0.08 0.00 0.06 0.00 -0.05 0.00 0.00 57.45 57.54 1yeq n PHE 41 Cb 0.35 -0.29 0.09 0.00 -0.94 0.00 0.00 39.48 38.69 1yeq n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1yeq n PHE 42 N -1.23 0.00 -0.33 1.38 3.72 -0.86 -4.84 117.46 115.30 1yeq n PHE 42 Ca 0.12 -0.70 0.22 0.00 -0.05 0.00 0.00 57.45 57.04 1yeq n PHE 42 Cb 0.29 -0.11 0.44 0.00 -0.94 0.00 0.00 39.48 39.16 1yeq n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yeq h GLU 43 N 0.00 0.29 -0.55 -1.08 4.39 -1.68 0.69 114.58 116.65 1yeq h GLU 43 Ca 0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1yeq h GLU 43 Cb 0.97 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.55 1yeq h GLU 43 CO 0.00 0.19 0.00 -1.13 -1.16 0.00 0.00 179.01 176.91 1yeq n SER 44 N -5.09 0.49 -0.02 1.42 3.41 -1.26 -0.94 113.62 111.64 1yeq n SER 44 Ca 0.30 -0.78 0.03 0.00 -0.26 0.00 0.00 58.87 58.17 1yeq n SER 44 Cb 0.93 -0.19 -0.10 0.00 -0.26 0.00 0.00 64.21 64.59 1yeq n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1yeq n PHE 45 N 0.37 0.00 -0.00 7.33 3.01 0.24 -5.10 117.46 123.30 1yeq n PHE 45 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 1yeq n PHE 45 Cb 0.11 -0.35 0.00 0.00 -0.01 0.00 0.00 39.48 39.23 1yeq n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yeq n GLY 46 N 1.91 1.03 3.53 1.37 0.00 -0.12 -4.91 105.19 108.01 1yeq n GLY 46 Ca -0.06 -1.45 -0.43 0.00 0.00 0.00 0.00 46.02 44.08 1yeq n GLY 46 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1yeq n ASP 47 N 0.01 2.44 -0.11 1.61 2.03 -1.26 -4.72 116.55 116.56 1yeq n ASP 47 Ca 0.00 0.05 0.07 0.00 0.52 0.00 0.00 54.79 55.42 1yeq n ASP 47 Cb 0.00 -1.44 0.09 0.00 -0.72 0.00 0.00 41.12 39.06 1yeq n ASP 47 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1yeq n LEU 48 N 12.35 1.89 -0.02 -2.67 4.77 -1.26 -4.35 117.00 127.71 1yeq n LEU 48 Ca 0.38 -2.51 -0.06 0.00 -0.03 0.00 0.00 56.01 53.78 1yeq n LEU 48 Cb 0.38 -0.28 0.13 0.00 -2.33 0.00 0.00 43.42 41.32 1yeq n LEU 48 CO 0.72 0.59 0.66 0.77 -1.33 0.00 0.00 177.39 178.80 1yeq h SER 49 N 0.00 0.62 -4.34 -1.43 4.64 -1.97 -3.45 113.55 107.61 1yeq h SER 49 Ca 0.00 -0.24 -0.47 0.00 -0.47 0.00 0.00 61.79 60.61 1yeq h SER 49 Cb 0.97 -0.17 -0.23 0.00 -0.31 0.00 0.00 62.40 62.65 1yeq h SER 49 CO 0.00 0.89 -0.80 0.42 -0.87 0.00 0.00 176.83 176.47 1yeq s THR 50 N -4.41 1.27 0.26 2.95 -4.23 -1.26 -5.02 115.64 105.20 1yeq s THR 50 Ca -0.08 -1.21 -0.11 0.00 -1.18 0.00 0.00 61.69 59.11 1yeq s THR 50 Cb 0.13 -1.17 0.38 0.00 1.34 0.00 0.00 72.50 73.18 1yeq s THR 50 CO 0.82 -0.05 1.54 -2.65 -0.54 0.00 0.00 174.62 173.74 1yeq n PRO 51 N 1.57 -0.14 -0.22 3.99 -0.02 -1.26 0.40 135.00 139.32 1yeq n PRO 51 Ca -0.19 1.54 0.05 0.00 -2.02 0.00 0.00 63.50 62.87 1yeq n PRO 51 Cb 0.54 -2.29 0.30 0.00 -0.02 0.00 0.00 33.50 32.03 1yeq n PRO 51 CO 0.00 0.00 0.00 -0.44 1.98 0.00 0.00 175.50 177.04 1yeq h ASP 52 N 0.00 0.76 0.29 2.55 3.32 -1.99 -1.28 116.42 120.07 1yeq h ASP 52 Ca 0.43 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.46 1yeq h ASP 52 Cb 0.68 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.06 1yeq h ASP 52 CO -1.01 0.51 -0.14 0.00 -1.72 0.00 0.00 179.24 176.88 1yeq h ALA 53 N 1.57 -0.39 0.07 3.45 0.00 -0.39 -1.44 119.26 122.12 1yeq h ALA 53 Ca 0.32 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.09 1yeq h ALA 53 Cb 0.16 0.15 -0.04 0.00 0.00 0.00 0.00 17.79 18.05 1yeq h ALA 53 CO -0.10 -0.58 -0.33 0.28 0.00 0.00 0.00 179.25 178.52 1yeq h VAL 54 N -0.67 0.29 0.00 0.00 2.07 -0.78 0.66 116.25 117.82 1yeq h VAL 54 Ca -0.04 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.47 1yeq h VAL 54 Cb 0.47 0.29 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1yeq h VAL 54 CO 0.07 0.00 -0.06 0.24 0.02 0.00 0.00 177.57 177.84 1yeq h MET 55 N -0.53 0.00 0.00 1.57 2.07 -1.33 -1.63 114.93 115.08 1yeq h MET 55 Ca 0.04 0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.67 1yeq h MET 55 Cb 0.58 0.00 0.00 0.00 -1.87 0.00 0.00 31.60 30.31 1yeq h MET 55 CO -0.23 0.06 -0.34 0.41 1.07 0.00 0.00 176.91 177.87 1yeq n GLY 56 N -1.32 -1.56 3.65 8.32 0.00 -0.18 -4.88 105.19 109.23 1yeq n GLY 56 Ca -0.03 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 1yeq n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1yeq s ASN 57 N -4.41 6.53 0.34 1.61 3.84 0.21 -4.90 114.94 118.15 1yeq s ASN 57 Ca 0.08 2.11 0.08 0.00 0.21 0.00 0.00 52.86 55.34 1yeq s ASN 57 Cb 0.13 -2.53 0.61 0.00 -0.55 0.00 0.00 41.25 38.91 1yeq s ASN 57 CO 0.67 -1.06 1.80 -0.65 -2.79 0.00 0.00 177.10 175.06 1yeq h PRO 58 N 10.16 0.22 -0.10 0.43 0.11 -1.89 -0.80 132.00 140.13 1yeq h PRO 58 Ca -0.39 -0.08 -0.14 0.00 0.11 0.00 0.00 66.00 65.51 1yeq h PRO 58 Cb 1.18 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.26 1yeq h PRO 58 CO 0.96 0.49 -0.55 0.87 -0.21 0.00 0.00 178.00 179.57 1yeq h LYS 59 N 0.20 0.30 -0.19 1.05 1.57 -1.90 -0.83 116.57 116.76 1yeq h LYS 59 Ca 0.03 -0.19 -0.03 0.00 -1.87 0.00 0.00 60.65 58.59 1yeq h LYS 59 Cb 0.62 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1yeq h LYS 59 CO 0.04 0.77 0.00 0.28 -0.57 0.00 0.00 179.45 179.98 1yeq h VAL 60 N 0.23 1.25 0.34 0.50 2.07 -1.76 -1.50 116.25 117.39 1yeq h VAL 60 Ca 0.00 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.65 1yeq h VAL 60 Cb 1.04 1.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.25 1yeq h VAL 60 CO 0.09 0.26 -0.20 0.11 0.02 0.00 0.00 177.57 177.85 1yeq h LYS 61 N 0.10 -0.49 -0.91 1.57 1.57 -0.95 -1.65 116.57 115.80 1yeq h LYS 61 Ca 0.05 0.03 0.06 0.00 -1.87 0.00 0.00 60.65 58.93 1yeq h LYS 61 Cb 0.39 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.75 1yeq h LYS 61 CO 0.01 -0.33 0.59 0.00 -0.57 0.00 0.00 179.45 179.15 1yeq h ALA 62 N 0.13 1.49 -0.12 3.86 0.00 -1.18 -1.46 119.26 121.98 1yeq h ALA 62 Ca -0.04 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.74 1yeq h ALA 62 Cb 0.42 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1yeq h ALA 62 CO 0.04 0.38 -0.39 1.25 0.00 0.00 0.00 179.25 180.53 1yeq h HIS 63 N 1.05 0.30 -0.54 0.00 -0.00 -1.01 -2.54 115.15 112.41 1yeq h HIS 63 Ca 0.39 -0.08 -0.04 0.00 -0.00 0.00 0.00 60.37 60.64 1yeq h HIS 63 Cb 0.17 -0.07 -0.02 0.00 -0.00 0.00 0.00 27.41 27.49 1yeq h HIS 63 CO -0.00 0.62 0.19 0.78 -0.00 0.00 0.00 177.93 179.52 1yeq h GLY 64 N 1.18 0.89 1.12 5.26 0.00 -0.31 0.34 103.07 111.55 1yeq h GLY 64 Ca 0.02 -0.51 -0.01 0.00 0.00 0.00 0.00 47.33 46.83 1yeq h GLY 64 CO 0.06 0.48 0.52 1.70 0.00 0.00 0.00 176.54 179.30 1yeq h LYS 65 N 0.74 1.17 0.01 4.80 3.64 -1.25 0.17 116.57 125.85 1yeq h LYS 65 Ca 0.18 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.45 1yeq h LYS 65 Cb 0.25 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1yeq h LYS 65 CO -0.01 0.82 -0.00 -0.22 -2.27 0.00 0.00 179.45 177.77 1yeq h LYS 66 N 1.19 -0.01 -0.10 1.90 3.64 -0.98 -0.71 116.57 121.50 1yeq h LYS 66 Ca 0.31 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.69 1yeq h LYS 66 Cb -0.05 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 31.77 1yeq h LYS 66 CO -0.06 0.27 0.06 0.28 -2.27 0.00 0.00 179.45 177.74 1yeq h VAL 67 N -0.30 1.05 0.00 2.00 2.07 -0.53 -1.81 116.25 118.73 1yeq h VAL 67 Ca -0.00 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.35 1yeq h VAL 67 Cb 0.29 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.03 1yeq h VAL 67 CO 0.00 0.05 -0.17 -0.07 0.02 0.00 0.00 177.57 177.40 1yeq h LEU 68 N 0.10 0.00 -0.92 2.57 4.07 -0.70 -2.06 115.31 118.38 1yeq h LEU 68 Ca 0.04 0.00 -0.03 0.00 0.08 0.00 0.00 57.88 57.97 1yeq h LEU 68 Cb 0.03 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 41.73 1yeq h LEU 68 CO -0.01 0.17 0.42 1.23 -1.08 0.00 0.00 178.44 179.17 1yeq h GLY 69 N 0.60 1.28 1.89 0.83 0.00 -0.28 -1.92 103.07 105.48 1yeq h GLY 69 Ca -0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1yeq h GLY 69 CO 0.02 0.59 -0.56 0.00 0.00 0.00 0.00 176.54 176.59 1yeq h ALA 70 N 1.27 1.00 0.14 3.60 0.00 -0.90 -2.76 119.26 121.61 1yeq h ALA 70 Ca 0.29 -0.51 0.00 0.00 0.00 0.00 0.00 54.91 54.69 1yeq h ALA 70 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 1yeq h ALA 70 CO -0.04 0.70 -0.14 0.35 0.00 0.00 0.00 179.25 180.12 1yeq h PHE 71 N 0.08 -0.36 -0.95 0.00 3.04 -0.98 -2.39 116.94 115.38 1yeq h PHE 71 Ca -0.00 0.00 0.25 0.00 3.98 0.00 0.00 57.97 62.20 1yeq h PHE 71 Cb 1.01 0.14 -0.13 0.00 2.56 0.00 0.00 35.95 39.54 1yeq h PHE 71 CO 0.01 -0.22 0.48 1.03 -2.02 0.00 0.00 178.31 177.59 1yeq h SER 72 N -0.31 0.45 -0.67 0.41 0.87 -1.14 0.82 113.55 113.99 1yeq h SER 72 Ca 0.00 0.16 -0.06 0.00 -1.23 0.00 0.00 61.79 60.67 1yeq h SER 72 Cb 0.30 0.11 -0.03 0.00 -0.44 0.00 0.00 62.40 62.34 1yeq h SER 72 CO -0.04 -0.01 0.20 0.44 -0.53 0.00 0.00 176.83 176.89 1yeq h ASP 73 N 0.43 1.00 0.78 6.23 3.32 -1.25 -2.26 116.42 124.66 1yeq h ASP 73 Ca 0.62 -0.19 -0.06 0.00 0.02 0.00 0.00 57.03 57.42 1yeq h ASP 73 Cb 1.24 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 40.52 1yeq h ASP 73 CO -0.54 0.94 -0.29 1.23 -1.72 0.00 0.00 179.24 178.86 1yeq h GLY 74 N 1.08 0.00 2.00 2.75 0.00 -0.68 -1.65 103.07 106.57 1yeq h GLY 74 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.51 1yeq h GLY 74 CO -0.01 0.00 -0.20 1.41 0.00 0.00 0.00 176.54 177.75 1yeq h LEU 75 N 0.00 0.00 0.00 3.11 3.38 -0.76 0.82 115.31 121.86 1yeq h LEU 75 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1yeq h LEU 75 Cb 0.76 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.51 1yeq h LEU 75 CO 0.04 0.20 -0.91 0.00 0.09 0.00 0.00 178.44 177.86 1yeq n ALA 76 N -2.18 3.68 -0.47 1.53 0.00 -0.93 -3.96 120.51 118.18 1yeq n ALA 76 Ca 0.01 -0.43 0.06 0.00 0.00 0.00 0.00 53.44 53.08 1yeq n ALA 76 Cb 0.47 -0.97 0.13 0.00 0.00 0.00 0.00 19.45 19.08 1yeq n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeq n HIS 77 N -1.77 0.37 0.00 0.00 8.25 -0.67 -4.86 115.22 116.54 1yeq n HIS 77 Ca 0.03 -0.67 0.00 0.00 -0.26 0.00 0.00 57.72 56.82 1yeq n HIS 77 Cb 0.39 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.38 1yeq n HIS 77 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yeq n LEU 78 N -0.34 0.00 -0.00 2.41 4.77 0.26 0.56 117.00 124.66 1yeq n LEU 78 Ca 0.11 0.02 0.10 0.00 -0.03 0.00 0.00 56.01 56.21 1yeq n LEU 78 Cb 0.52 -0.02 -0.10 0.00 -2.33 0.00 0.00 43.42 41.49 1yeq n LEU 78 CO 0.06 -0.02 -0.14 0.47 -1.33 0.00 0.00 177.39 176.43 1yeq n ASP 79 N -0.92 0.79 -2.86 -1.43 8.00 -1.26 -4.45 116.55 114.42 1yeq n ASP 79 Ca 0.00 -0.76 -0.13 0.00 0.71 0.00 0.00 54.79 54.61 1yeq n ASP 79 Cb 0.38 1.12 0.01 0.00 -0.02 0.00 0.00 41.12 42.61 1yeq n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1yeq n ASN 80 N -1.65 1.27 -0.27 -2.24 5.15 0.19 -4.94 115.26 112.77 1yeq n ASN 80 Ca 0.03 -2.85 0.01 0.00 -0.60 0.00 0.00 54.58 51.17 1yeq n ASN 80 Cb 0.38 -0.56 0.14 0.00 -0.53 0.00 0.00 39.78 39.20 1yeq n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1yeq h LEU 81 N 2.99 0.65 -0.00 1.20 3.38 -1.78 -1.92 115.31 119.84 1yeq h LEU 81 Ca -0.02 0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.01 1yeq h LEU 81 Cb 1.09 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.70 1yeq h LEU 81 CO 0.51 0.39 -0.47 0.11 0.09 0.00 0.00 178.44 179.07 1yeq h LYS 82 N 0.78 -0.57 0.00 1.13 6.56 -1.92 -2.15 116.57 120.40 1yeq h LYS 82 Ca 0.36 0.04 -0.01 0.00 -1.06 0.00 0.00 60.65 59.97 1yeq h LYS 82 Cb 0.28 0.13 -0.00 0.00 -0.57 0.00 0.00 32.23 32.06 1yeq h LYS 82 CO -0.22 -0.38 -0.07 0.78 -2.06 0.00 0.00 179.45 177.50 1yeq h GLY 83 N -0.59 0.00 1.11 3.86 0.00 -1.88 -2.06 103.07 103.51 1yeq h GLY 83 Ca 0.01 0.00 -0.23 0.00 0.00 0.00 0.00 47.33 47.11 1yeq h GLY 83 CO -0.32 0.00 -0.87 -0.84 0.00 0.00 0.00 176.54 174.51 1yeq h THR 84 N 0.00 1.31 -0.28 4.70 2.02 -1.05 -3.36 112.91 116.25 1yeq h THR 84 Ca -0.00 -2.12 0.00 0.00 0.77 0.00 0.00 66.41 65.06 1yeq h THR 84 Cb 0.29 2.30 0.00 0.00 -1.74 0.00 0.00 68.15 69.00 1yeq h THR 84 CO 0.01 0.65 0.00 0.49 0.37 0.00 0.00 175.52 177.04 1yeq n PHE 85 N -3.96 0.35 0.04 3.16 3.72 -0.84 -4.62 117.46 115.31 1yeq n PHE 85 Ca -0.10 -0.17 -0.13 0.00 -0.05 0.00 0.00 57.45 57.00 1yeq n PHE 85 Cb 0.80 0.00 -0.06 0.00 -0.94 0.00 0.00 39.48 39.27 1yeq n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yeq h ALA 86 N 4.59 -0.64 0.17 4.37 0.00 -1.53 0.63 119.26 126.85 1yeq h ALA 86 Ca 0.00 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yeq h ALA 86 Cb 1.00 0.75 -0.04 0.00 0.00 0.00 0.00 17.79 19.50 1yeq h ALA 86 CO 0.00 -0.94 -0.44 1.79 0.00 0.00 0.00 179.25 179.66 1yeq h THR 87 N -0.54 0.12 -0.95 0.00 1.35 -1.88 0.73 112.91 111.74 1yeq h THR 87 Ca 0.06 0.00 0.27 0.00 -0.55 0.00 0.00 66.41 66.19 1yeq h THR 87 Cb 0.64 0.12 -0.14 0.00 -1.73 0.00 0.00 68.15 67.04 1yeq h THR 87 CO -0.34 0.00 0.45 0.25 -0.25 0.00 0.00 175.52 175.62 1yeq h LEU 88 N -0.71 0.35 0.40 3.87 7.12 -1.69 0.28 115.31 124.93 1yeq h LEU 88 Ca 0.01 0.18 -0.02 0.00 0.13 0.00 0.00 57.88 58.18 1yeq h LEU 88 Cb 0.72 0.17 0.00 0.00 -0.53 0.00 0.00 40.66 41.02 1yeq h LEU 88 CO -0.22 -0.10 -0.19 -1.28 -0.13 0.00 0.00 178.44 176.51 1yeq h SER 89 N 0.32 -0.46 -0.69 1.25 0.87 0.24 -1.50 113.55 113.58 1yeq h SER 89 Ca 0.65 -0.02 0.07 0.00 -1.23 0.00 0.00 61.79 61.26 1yeq h SER 89 Cb 1.38 0.12 -0.04 0.00 -0.44 0.00 0.00 62.40 63.41 1yeq h SER 89 CO -0.60 -0.28 0.46 -0.33 -0.53 0.00 0.00 176.83 175.55 1yeq h GLU 90 N -0.60 0.66 -0.41 2.24 5.08 0.60 -2.23 114.58 119.92 1yeq h GLU 90 Ca -0.06 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.21 1yeq h GLU 90 Cb 0.45 -0.15 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 1yeq h GLU 90 CO 0.09 0.44 0.05 1.25 -1.00 0.00 0.00 179.01 179.84 1yeq h LEU 91 N 0.68 0.67 -0.76 1.33 5.85 -0.58 0.30 115.31 122.80 1yeq h LEU 91 Ca 0.30 -0.27 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1yeq h LEU 91 Cb 0.31 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.16 1yeq h LEU 91 CO -0.10 0.77 0.00 0.45 -0.34 0.00 0.00 178.44 179.22 1yeq h HIS 92 N 0.54 0.00 0.00 1.25 3.86 -0.82 -1.77 115.15 118.20 1yeq h HIS 92 Ca 0.12 0.00 -0.17 0.00 -1.16 0.00 0.00 60.37 59.17 1yeq h HIS 92 Cb 0.39 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.84 1yeq h HIS 92 CO 0.03 0.00 -1.52 0.00 0.86 0.00 0.00 177.93 177.29 1yeq h ASP 94 N -0.95 0.12 0.00 0.00 3.32 -0.55 -3.28 116.42 115.08 1yeq h ASP 94 Ca -0.25 -0.08 -0.18 0.00 0.02 0.00 0.00 57.03 56.54 1yeq h ASP 94 Cb 1.19 -0.03 -0.03 0.00 0.22 0.00 0.00 39.33 40.67 1yeq h ASP 94 CO -0.15 0.79 -1.67 0.29 -1.72 0.00 0.00 179.24 176.78 1yeq n LYS 95 N -3.74 0.58 0.05 3.56 4.01 -0.98 -4.79 118.16 116.85 1yeq n LYS 95 Ca -0.02 0.06 -0.20 0.00 -0.51 0.00 0.00 58.31 57.64 1yeq n LYS 95 Cb 0.69 -1.24 -0.14 0.00 -0.51 0.00 0.00 35.03 33.83 1yeq n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1yeq h LEU 96 N 0.00 0.48 -0.09 -0.35 3.38 -1.51 -3.49 115.31 113.73 1yeq h LEU 96 Ca -0.26 -0.75 0.00 0.00 0.09 0.00 0.00 57.88 56.95 1yeq h LEU 96 Cb 1.43 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 42.02 1yeq h LEU 96 CO -0.03 1.64 0.00 1.41 0.09 0.00 0.00 178.44 181.55 1yeq n HIS 97 N -3.50 0.00 -2.67 1.13 8.25 -1.01 -5.01 115.22 112.41 1yeq n HIS 97 Ca -0.23 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.80 1yeq n HIS 97 Cb 1.06 -0.92 -0.02 0.00 1.12 0.00 0.00 29.99 31.23 1yeq n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1yeq s VAL 98 N -2.09 4.70 -0.04 1.59 1.01 -0.33 -5.00 120.40 120.25 1yeq s VAL 98 Ca 0.00 2.02 -0.30 0.00 0.00 0.00 0.00 61.98 63.70 1yeq s VAL 98 Cb 0.00 -4.30 -0.06 0.00 0.00 0.00 0.00 36.38 32.02 1yeq s VAL 98 CO 0.00 -0.15 1.70 -0.62 0.00 0.00 0.00 175.10 176.03 1yeq s ASP 99 N 1.19 6.64 0.15 3.32 -1.08 -1.26 -4.74 116.67 120.88 1yeq s ASP 99 Ca 0.44 2.30 0.07 0.00 -0.52 0.00 0.00 52.55 54.84 1yeq s ASP 99 Cb -0.15 -2.53 0.36 0.00 -1.46 0.00 0.00 42.92 39.13 1yeq s ASP 99 CO 0.07 -0.94 1.07 -2.65 0.52 0.00 0.00 175.17 173.24 1yeq n PRO 100 N 7.15 0.05 0.20 4.34 -0.02 -1.26 -1.38 135.00 144.08 1yeq n PRO 100 Ca 0.18 0.44 0.04 0.00 -2.02 0.00 0.00 63.50 62.14 1yeq n PRO 100 Cb 0.42 -1.86 0.42 0.00 -0.02 0.00 0.00 33.50 32.46 1yeq n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1yeq h GLU 101 N 0.00 0.00 0.00 -0.52 4.57 -2.00 -1.94 114.58 114.69 1yeq h GLU 101 Ca 0.00 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.16 1yeq h GLU 101 Cb 0.43 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.02 1yeq h GLU 101 CO 0.00 0.31 -0.07 -0.91 -1.18 0.00 0.00 179.01 177.16 1yeq h ASN 102 N 0.00 0.00 0.12 1.04 4.21 -1.61 -3.01 115.58 116.33 1yeq h ASN 102 Ca -0.00 0.00 0.01 0.00 1.21 0.00 0.00 56.30 57.52 1yeq h ASN 102 Cb 0.57 0.00 -0.03 0.00 -1.12 0.00 0.00 38.32 37.74 1yeq h ASN 102 CO 0.04 0.07 -0.22 -0.26 -1.29 0.00 0.00 177.43 175.77 1yeq h PHE 103 N 0.00 -0.58 -0.89 1.19 0.04 -1.55 -1.16 116.94 113.98 1yeq h PHE 103 Ca -0.00 0.01 0.17 0.00 2.80 0.00 0.00 57.97 60.95 1yeq h PHE 103 Cb 0.28 0.24 -0.10 0.00 2.20 0.00 0.00 35.95 38.56 1yeq h PHE 103 CO 0.00 -0.32 0.47 0.00 -0.60 0.00 0.00 178.31 177.86 1yeq h ARG 104 N -0.42 0.59 -0.39 1.51 3.08 -1.68 -1.55 114.38 115.53 1yeq h ARG 104 Ca 0.03 -0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.09 1yeq h ARG 104 Cb 0.43 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 30.31 1yeq h ARG 104 CO -0.12 0.39 0.12 -0.07 -1.07 0.00 0.00 179.97 179.22 1yeq h LEU 105 N 0.60 0.11 -0.99 3.04 3.38 -1.31 -0.53 115.31 119.62 1yeq h LEU 105 Ca 0.51 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 58.47 1yeq h LEU 105 Cb 0.80 0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 1yeq h LEU 105 CO -0.40 0.10 0.10 0.25 0.09 0.00 0.00 178.44 178.58 1yeq h LEU 106 N 0.27 0.78 -0.01 1.67 5.85 -0.62 -1.28 115.31 121.98 1yeq h LEU 106 Ca 0.18 -0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.75 1yeq h LEU 106 Cb 0.17 -0.21 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1yeq h LEU 106 CO -0.20 0.79 0.00 1.23 -0.34 0.00 0.00 178.44 179.93 1yeq h GLY 107 N 0.98 0.01 1.16 3.75 0.00 -0.50 0.98 103.07 109.45 1yeq h GLY 107 Ca 0.17 -0.00 -0.12 0.00 0.00 0.00 0.00 47.33 47.38 1yeq h GLY 107 CO 0.00 0.00 -0.15 3.43 0.00 0.00 0.00 176.54 179.83 1yeq h ASN 108 N 0.00 0.98 -0.84 0.19 2.35 -0.98 -0.63 115.58 116.66 1yeq h ASN 108 Ca 0.00 -0.34 0.00 0.00 -0.55 0.00 0.00 56.30 55.42 1yeq h ASN 108 Cb 0.01 -0.27 -0.04 0.00 0.05 0.00 0.00 38.32 38.07 1yeq h ASN 108 CO -0.00 1.11 0.54 0.58 -1.65 0.00 0.00 177.43 178.01 1yeq h VAL 109 N 0.85 1.22 -0.28 2.81 2.07 -1.14 0.11 116.25 121.90 1yeq h VAL 109 Ca 0.13 -0.44 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 1yeq h VAL 109 Cb 0.70 0.01 -0.01 0.00 -1.52 0.00 0.00 31.29 30.47 1yeq h VAL 109 CO 0.05 0.22 0.13 0.25 0.02 0.00 0.00 177.57 178.24 1yeq h LEU 110 N 1.14 0.38 -0.99 2.57 5.85 -0.43 0.12 115.31 123.95 1yeq h LEU 110 Ca 0.31 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.96 1yeq h LEU 110 Cb -0.10 -0.10 -0.07 0.00 0.37 0.00 0.00 40.66 40.76 1yeq h LEU 110 CO -0.06 0.41 0.63 0.58 -0.34 0.00 0.00 178.44 179.66 1yeq h VAL 111 N 0.32 1.07 -0.20 1.05 2.07 -0.72 0.01 116.25 119.85 1yeq h VAL 111 Ca 0.10 -0.39 -0.00 0.00 0.82 0.00 0.00 66.70 67.22 1yeq h VAL 111 Cb 0.14 -0.17 -0.01 0.00 -1.52 0.00 0.00 31.29 29.73 1yeq h VAL 111 CO -0.01 0.21 0.11 0.00 0.02 0.00 0.00 177.57 177.90 1yeq h VAL 113 N 0.22 0.24 -0.84 0.00 2.07 -0.17 -0.38 116.25 117.38 1yeq h VAL 113 Ca 0.07 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.75 1yeq h VAL 113 Cb 0.06 0.24 -0.06 0.00 -1.52 0.00 0.00 31.29 30.00 1yeq h VAL 113 CO -0.01 0.00 0.55 -0.07 0.02 0.00 0.00 177.57 178.06 1yeq h LEU 114 N -0.58 0.48 -0.59 2.57 3.38 -0.88 0.45 115.31 120.14 1yeq h LEU 114 Ca 0.03 0.03 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1yeq h LEU 114 Cb 0.62 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1yeq h LEU 114 CO -0.23 0.23 -0.37 0.00 0.09 0.00 0.00 178.44 178.16 1yeq h ALA 115 N 1.62 0.87 0.00 1.53 0.00 -0.62 -2.23 119.26 120.44 1yeq h ALA 115 Ca 0.43 -0.33 -0.12 0.00 0.00 0.00 0.00 54.91 54.89 1yeq h ALA 115 Cb 0.91 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 1yeq h ALA 115 CO -0.17 0.46 -0.55 1.25 0.00 0.00 0.00 179.25 180.24 1yeq h HIS 116 N 0.00 0.00 0.00 0.00 -0.00 0.15 -2.03 115.15 113.27 1yeq h HIS 116 Ca -0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.37 60.35 1yeq h HIS 116 Cb 1.05 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1yeq h HIS 116 CO 0.00 0.55 -1.47 0.72 -0.00 0.00 0.00 177.93 177.73 1yeq n HIS 117 N -3.30 0.55 0.22 5.26 -0.00 -0.63 -4.53 115.22 112.79 1yeq n HIS 117 Ca 0.01 0.16 0.02 0.00 -0.00 0.00 0.00 57.72 57.92 1yeq n HIS 117 Cb 0.73 -0.78 0.00 0.00 -0.00 0.00 0.00 29.99 29.94 1yeq n HIS 117 CO 0.00 0.00 0.00 1.19 -0.00 0.00 0.00 176.34 177.53 1yeq n PHE 118 N -2.52 0.00 0.00 4.41 3.72 -0.85 -5.05 117.46 117.17 1yeq n PHE 118 Ca -0.03 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 1yeq n PHE 118 Cb 0.59 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.13 1yeq n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1yeq n GLY 119 N 0.65 1.28 0.33 1.37 0.00 -0.76 -0.84 105.19 107.21 1yeq n GLY 119 Ca 0.02 0.17 0.08 0.00 0.00 0.00 0.00 46.02 46.29 1yeq n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1yeq n LYS 120 N 8.30 -0.08 0.30 1.61 4.76 -1.26 0.92 118.16 132.71 1yeq n LYS 120 Ca 0.00 1.43 0.19 0.00 -2.87 0.00 0.00 58.31 57.06 1yeq n LYS 120 Cb 0.00 -2.17 1.03 0.00 -1.84 0.00 0.00 35.03 32.05 1yeq n LYS 120 CO 0.00 0.00 0.00 1.49 -1.37 0.00 0.00 177.40 177.52 1yeq h GLU 121 N 0.00 0.00 -3.15 1.97 4.81 -1.40 -3.20 114.58 113.61 1yeq h GLU 121 Ca 0.47 0.00 -0.79 0.00 -0.13 0.00 0.00 59.36 58.91 1yeq h GLU 121 Cb 0.80 0.00 -0.24 0.00 0.63 0.00 0.00 28.75 29.94 1yeq h GLU 121 CO -0.93 0.00 1.13 0.34 -0.73 0.00 0.00 179.01 178.82 1yeq n PHE 122 N -2.87 2.64 -1.74 0.92 7.35 0.26 -4.97 117.46 119.05 1yeq n PHE 122 Ca -0.03 -2.72 -0.30 0.00 -0.76 0.00 0.00 57.45 53.65 1yeq n PHE 122 Cb 0.12 -1.49 0.06 0.00 0.35 0.00 0.00 39.48 38.52 1yeq n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeq s THR 123 N -1.76 3.55 0.17 -2.13 -4.23 -1.21 -4.73 115.64 105.31 1yeq s THR 123 Ca 0.34 0.50 -0.18 0.00 -1.18 0.00 0.00 61.69 61.17 1yeq s THR 123 Cb 0.05 -3.39 0.11 0.00 1.34 0.00 0.00 72.50 70.61 1yeq s THR 123 CO 0.07 -0.66 1.63 -0.65 -0.54 0.00 0.00 174.62 174.47 1yeq h PRO 124 N -0.76 -0.10 -0.96 3.99 0.11 -1.95 0.51 132.00 132.84 1yeq h PRO 124 Ca -0.45 0.01 0.14 0.00 0.11 0.00 0.00 66.00 65.80 1yeq h PRO 124 Cb 1.25 0.02 -0.08 0.00 0.11 0.00 0.00 31.00 32.30 1yeq h PRO 124 CO 0.61 -0.07 0.61 -1.35 -0.21 0.00 0.00 178.00 177.59 1yeq h PRO 125 N -0.11 0.82 0.12 1.05 0.11 -2.00 -0.56 132.00 131.43 1yeq h PRO 125 Ca 0.21 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1yeq h PRO 125 Cb 0.43 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 31.35 1yeq h PRO 125 CO -0.50 0.54 -0.06 0.28 -0.21 0.00 0.00 178.00 178.06 1yeq h VAL 126 N 0.84 1.06 -0.69 3.15 2.07 -1.48 -2.72 116.25 118.48 1yeq h VAL 126 Ca 0.49 -0.82 0.08 0.00 0.82 0.00 0.00 66.70 67.27 1yeq h VAL 126 Cb 0.64 1.56 -0.11 0.00 -1.52 0.00 0.00 31.29 31.86 1yeq h VAL 126 CO -0.25 0.19 -0.52 -0.61 0.02 0.00 0.00 177.57 176.40 1yeq h GLN 127 N -0.56 -0.19 -0.94 1.57 4.15 0.17 0.14 115.11 119.46 1yeq h GLN 127 Ca -0.02 0.01 0.20 0.00 0.77 0.00 0.00 58.65 59.62 1yeq h GLN 127 Cb 0.44 0.04 -0.08 0.00 0.21 0.00 0.00 27.48 28.10 1yeq h GLN 127 CO 0.03 -0.13 0.61 0.00 -1.93 0.00 0.00 178.83 177.41 1yeq h ALA 128 N 0.43 2.08 -0.22 3.38 0.00 -1.08 -0.52 119.26 123.33 1yeq h ALA 128 Ca 0.15 0.03 -0.03 0.00 0.00 0.00 0.00 54.91 55.07 1yeq h ALA 128 Cb 0.53 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 1yeq h ALA 128 CO -0.76 -0.39 0.03 0.00 0.00 0.00 0.00 179.25 178.13 1yeq h ALA 129 N 1.61 0.29 -0.32 0.00 0.00 -0.42 -2.37 119.26 118.06 1yeq h ALA 129 Ca 0.50 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 55.18 1yeq h ALA 129 Cb 1.11 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 1yeq h ALA 129 CO -0.23 -0.02 0.00 1.88 0.00 0.00 0.00 179.25 180.88 1yeq h TYR 130 N 0.16 0.51 -0.59 0.00 0.05 -0.38 -1.42 116.97 115.29 1yeq h TYR 130 Ca 0.07 -0.05 -0.01 0.00 0.05 0.00 0.00 58.73 58.79 1yeq h TYR 130 Cb 0.34 -0.15 -0.03 0.00 1.01 0.00 0.00 36.73 37.90 1yeq h TYR 130 CO 0.02 0.50 0.33 1.96 -1.05 0.00 0.00 178.16 179.93 1yeq h GLN 131 N 0.48 0.80 -0.39 4.88 1.08 -0.78 0.39 115.11 121.57 1yeq h GLN 131 Ca 0.10 -0.08 -0.06 0.00 -1.45 0.00 0.00 58.65 57.17 1yeq h GLN 131 Cb 0.31 -0.17 -0.01 0.00 -0.05 0.00 0.00 27.48 27.56 1yeq h GLN 131 CO 0.01 0.58 0.01 0.87 -0.95 0.00 0.00 178.83 179.35 1yeq h LYS 132 N 0.82 0.69 0.59 1.46 1.57 -0.77 -1.83 116.57 119.08 1yeq h LYS 132 Ca 0.21 -0.21 -0.03 0.00 -1.87 0.00 0.00 60.65 58.75 1yeq h LYS 132 Cb 0.00 -0.07 0.01 0.00 0.08 0.00 0.00 32.23 32.25 1yeq h LYS 132 CO -0.04 0.77 -0.28 0.28 -0.57 0.00 0.00 179.45 179.61 1yeq h VAL 133 N 0.51 0.39 -0.81 0.50 2.07 -0.69 0.31 116.25 118.54 1yeq h VAL 133 Ca 0.11 -0.15 0.16 0.00 0.82 0.00 0.00 66.70 67.64 1yeq h VAL 133 Cb 0.45 0.45 -0.10 0.00 -1.52 0.00 0.00 31.29 30.57 1yeq h VAL 133 CO 0.02 0.02 0.36 0.58 0.02 0.00 0.00 177.57 178.57 1yeq h VAL 134 N -0.89 0.64 0.11 2.57 2.07 -0.28 0.46 116.25 120.94 1yeq h VAL 134 Ca -0.08 -0.17 -0.01 0.00 0.82 0.00 0.00 66.70 67.27 1yeq h VAL 134 Cb 0.64 0.11 0.00 0.00 -1.52 0.00 0.00 31.29 30.52 1yeq h VAL 134 CO 0.13 0.09 -0.05 0.00 0.02 0.00 0.00 177.57 177.76 1yeq h ALA 135 N 1.58 -0.15 -0.35 1.67 0.00 -1.22 -0.57 119.26 120.22 1yeq h ALA 135 Ca 0.46 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.35 1yeq h ALA 135 Cb 0.71 0.06 -0.08 0.00 0.00 0.00 0.00 17.79 18.48 1yeq h ALA 135 CO -0.42 -0.52 -0.26 0.78 0.00 0.00 0.00 179.25 178.83 1yeq h GLY 136 N -0.27 -0.12 1.22 0.00 0.00 0.13 -1.44 103.07 102.59 1yeq h GLY 136 Ca -0.02 0.33 -0.00 0.00 0.00 0.00 0.00 47.33 47.65 1yeq h GLY 136 CO 0.02 -0.21 0.47 -2.08 0.00 0.00 0.00 176.54 174.75 1yeq h VAL 137 N -0.22 1.21 -0.66 4.60 2.07 0.01 -1.44 116.25 121.82 1yeq h VAL 137 Ca 0.17 -0.44 -0.04 0.00 0.82 0.00 0.00 66.70 67.21 1yeq h VAL 137 Cb 0.49 0.12 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 1yeq h VAL 137 CO -0.48 0.22 0.27 0.00 0.02 0.00 0.00 177.57 177.60 1yeq h ALA 138 N 1.47 1.23 -0.24 1.67 0.00 -0.15 -2.76 119.26 120.47 1yeq h ALA 138 Ca 0.28 -0.17 -0.18 0.00 0.00 0.00 0.00 54.91 54.84 1yeq h ALA 138 Cb -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.47 1yeq h ALA 138 CO -0.05 0.57 -0.56 -0.91 0.00 0.00 0.00 179.25 178.30 1yeq h ASN 139 N 0.95 0.91 -0.18 0.00 -0.26 -0.30 -2.93 115.58 113.78 1yeq h ASN 139 Ca 0.22 -0.56 0.00 0.00 -0.56 0.00 0.00 56.30 55.41 1yeq h ASN 139 Cb 0.18 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 37.17 1yeq h ASN 139 CO -0.02 1.30 0.12 0.00 -1.06 0.00 0.00 177.43 177.77 1yeq h ALA 140 N 0.63 1.88 0.00 -0.83 0.00 -1.25 -0.48 119.26 119.22 1yeq h ALA 140 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1yeq h ALA 140 Cb 1.17 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1yeq h ALA 140 CO 0.12 0.11 0.00 1.28 0.00 0.00 0.00 179.25 180.76 1yeq n LEU 141 N -4.51 0.00 -0.23 0.00 4.77 -1.05 -3.42 117.00 112.56 1yeq n LEU 141 Ca -0.00 0.39 0.03 0.00 -0.03 0.00 0.00 56.01 56.39 1yeq n LEU 141 Cb 0.08 -0.39 0.04 0.00 -2.33 0.00 0.00 43.42 40.82 1yeq n LEU 141 CO 0.35 -0.01 0.40 0.00 -1.33 0.00 0.00 177.39 176.79 1yeq n ALA 142 N -1.39 2.37 -0.07 -1.18 0.00 -0.25 -4.58 120.51 115.42 1yeq n ALA 142 Ca 0.10 -0.69 -0.13 0.00 0.00 0.00 0.00 53.44 52.72 1yeq n ALA 142 Cb 0.28 -0.18 -0.06 0.00 0.00 0.00 0.00 19.45 19.49 1yeq n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yeq h HIS 143 N 0.99 0.63 -0.19 0.00 6.17 -1.41 -3.17 115.15 118.17 1yeq h HIS 143 Ca 0.00 -0.20 0.00 0.00 0.71 0.00 0.00 60.37 60.88 1yeq h HIS 143 Cb 0.33 -0.13 0.00 0.00 2.52 0.00 0.00 27.41 30.13 1yeq h HIS 143 CO 0.03 0.89 0.00 1.63 0.71 0.00 0.00 177.93 181.19 1yeq n LYS 144 N -4.40 2.24 -2.64 5.26 4.76 -1.26 -4.87 118.16 117.24 1yeq n LYS 144 Ca -0.05 -1.02 -0.40 0.00 -2.87 0.00 0.00 58.31 53.97 1yeq n LYS 144 Cb 0.43 -1.73 -0.05 0.00 -1.84 0.00 0.00 35.03 31.84 1yeq n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1yeq s TYR 145 N -1.58 3.82 0.00 2.13 1.51 -1.20 -4.68 117.35 117.35 1yeq s TYR 145 Ca 0.18 1.82 0.00 0.00 -1.01 0.00 0.00 57.07 58.06 1yeq s TYR 145 Cb 0.13 -3.10 0.00 0.00 -0.11 0.00 0.00 41.96 38.88 1yeq s TYR 145 CO 0.05 0.05 0.00 -2.39 -1.11 0.00 0.00 175.55 172.15