#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeq s HIS 2 N 0.00 2.57 -0.22 1.12 5.04 -1.26 -5.00 115.29 117.54 1yeq s HIS 2 Ca 0.00 -0.44 -0.00 0.00 -1.54 0.00 0.00 55.06 53.08 1yeq s HIS 2 Cb 0.00 -4.39 0.03 0.00 0.04 0.00 0.00 32.58 28.25 1yeq s HIS 2 CO 0.00 -1.77 -0.11 -0.51 -2.34 0.00 0.00 174.74 170.01 1yeq s LEU 3 N 4.50 2.83 0.54 8.88 1.02 -1.26 -5.09 118.68 130.11 1yeq s LEU 3 Ca 0.26 -0.82 -0.19 0.00 0.02 0.00 0.00 54.13 53.40 1yeq s LEU 3 Cb -0.14 -1.59 -0.06 0.00 0.02 0.00 0.00 46.19 44.42 1yeq s LEU 3 CO 0.11 -0.08 1.08 0.42 0.02 0.00 0.00 176.35 177.89 1yeq s THR 4 N 1.30 3.54 0.34 5.49 -4.23 -1.26 -4.78 115.64 116.04 1yeq s THR 4 Ca 0.01 0.89 0.14 0.00 -1.18 0.00 0.00 61.69 61.55 1yeq s THR 4 Cb -0.16 -3.35 0.34 0.00 1.34 0.00 0.00 72.50 70.67 1yeq s THR 4 CO -0.07 -0.28 1.71 -0.65 -0.54 0.00 0.00 174.62 174.79 1yeq h PRO 5 N 1.09 0.44 -0.53 3.99 0.11 -2.00 0.14 132.00 135.23 1yeq h PRO 5 Ca -0.49 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 65.50 1yeq h PRO 5 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1yeq h PRO 5 CO 0.58 0.29 -0.03 0.93 -0.21 0.00 0.00 178.00 179.55 1yeq h GLU 6 N 0.45 0.96 0.19 1.05 4.39 -2.00 -2.59 114.58 117.03 1yeq h GLU 6 Ca 0.67 -0.32 -0.01 0.00 0.34 0.00 0.00 59.36 60.04 1yeq h GLU 6 Cb 1.48 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 30.05 1yeq h GLU 6 CO -0.48 0.99 -0.09 0.93 -1.16 0.00 0.00 179.01 179.20 1yeq h GLU 7 N 0.83 -0.25 -0.31 2.33 5.08 -1.37 -2.31 114.58 118.58 1yeq h GLU 7 Ca 0.15 0.02 0.07 0.00 -1.00 0.00 0.00 59.36 58.59 1yeq h GLU 7 Cb 0.58 0.06 -0.08 0.00 0.50 0.00 0.00 28.75 29.80 1yeq h GLU 7 CO 0.03 0.09 -0.31 -0.22 -1.00 0.00 0.00 179.01 177.61 1yeq h LYS 8 N -0.61 -0.27 -0.70 2.33 3.64 -1.30 0.29 116.57 119.94 1yeq h LYS 8 Ca -0.03 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.42 1yeq h LYS 8 Cb 0.45 0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.28 1yeq h LYS 8 CO 0.04 -0.18 0.41 1.03 -2.27 0.00 0.00 179.45 178.48 1yeq h SER 9 N -0.28 0.63 -0.27 4.20 0.87 -1.52 0.49 113.55 117.67 1yeq h SER 9 Ca 0.15 0.02 0.05 0.00 -1.23 0.00 0.00 61.79 60.78 1yeq h SER 9 Cb 0.52 -0.11 -0.05 0.00 -0.44 0.00 0.00 62.40 62.33 1yeq h SER 9 CO -0.47 0.42 -0.02 0.00 -0.53 0.00 0.00 176.83 176.23 1yeq h ALA 10 N 1.34 0.22 0.60 6.23 0.00 -0.52 0.66 119.26 127.81 1yeq h ALA 10 Ca 0.30 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.27 1yeq h ALA 10 Cb 0.14 0.15 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1yeq h ALA 10 CO -0.16 -0.43 -0.29 0.28 0.00 0.00 0.00 179.25 178.65 1yeq h VAL 11 N 0.06 0.00 -0.37 0.00 2.07 0.88 -2.69 116.25 116.19 1yeq h VAL 11 Ca 0.13 -0.01 0.08 0.00 0.82 0.00 0.00 66.70 67.72 1yeq h VAL 11 Cb 0.18 0.00 -0.09 0.00 -1.52 0.00 0.00 31.29 29.86 1yeq h VAL 11 CO -0.23 0.00 -0.24 0.74 0.02 0.00 0.00 177.57 177.86 1yeq h THR 12 N -0.82 0.36 -0.24 2.57 2.02 0.02 -1.86 112.91 114.96 1yeq h THR 12 Ca -0.08 0.00 0.02 0.00 0.77 0.00 0.00 66.41 67.12 1yeq h THR 12 Cb 0.62 0.36 -0.03 0.00 -1.74 0.00 0.00 68.15 67.36 1yeq h THR 12 CO 0.14 0.00 -0.15 0.00 0.37 0.00 0.00 175.52 175.87 1yeq h ALA 13 N 0.98 -0.17 -0.89 6.16 0.00 0.35 -1.96 119.26 123.72 1yeq h ALA 13 Ca 0.18 0.03 0.10 0.00 0.00 0.00 0.00 54.91 55.22 1yeq h ALA 13 Cb 0.47 1.07 -0.07 0.00 0.00 0.00 0.00 17.79 19.26 1yeq h ALA 13 CO -0.48 -0.27 0.58 1.25 0.00 0.00 0.00 179.25 180.32 1yeq h LEU 14 N -0.01 0.79 -2.60 0.00 5.85 -1.11 -2.68 115.31 115.54 1yeq h LEU 14 Ca 0.04 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.78 1yeq h LEU 14 Cb 0.11 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.00 1yeq h LEU 14 CO -0.24 0.45 -0.01 -0.25 -0.34 0.00 0.00 178.44 178.06 1yeq h TRP 15 N 0.86 0.00 0.00 1.25 2.91 -0.55 -2.52 115.95 117.91 1yeq h TRP 15 Ca 0.42 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.44 1yeq h TRP 15 Cb 0.45 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.10 1yeq h TRP 15 CO -0.00 0.01 0.00 0.41 -1.03 0.00 0.00 178.44 177.83 1yeq n GLY 16 N -1.11 -1.34 0.57 2.65 0.00 -1.01 -2.46 105.19 102.49 1yeq n GLY 16 Ca -0.03 0.02 0.12 0.00 0.00 0.00 0.00 46.02 46.14 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 -2.06 1.52 -2.91 1.61 5.02 -0.95 -4.98 118.16 115.42 1yeq n LYS 17 Ca 0.03 -1.14 -0.34 0.00 -2.02 0.00 0.00 58.31 54.85 1yeq n LYS 17 Cb 0.27 -1.48 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 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 -2.26 4.44 -0.80 -0.18 1.01 -1.03 -5.02 120.40 116.57 1yeq s VAL 18 Ca 0.26 1.41 -0.08 0.00 0.00 0.00 0.00 61.98 63.57 1yeq s VAL 18 Cb 0.19 -3.70 0.21 0.00 0.00 0.00 0.00 36.38 33.08 1yeq s VAL 18 CO 0.44 -0.16 0.69 0.21 0.00 0.00 0.00 175.10 176.28 1yeq s ASN 19 N -2.06 6.17 0.17 3.32 3.84 -1.26 -4.97 114.94 120.15 1yeq s ASN 19 Ca 0.56 -3.00 -0.22 0.00 0.21 0.00 0.00 52.86 50.41 1yeq s ASN 19 Cb -0.12 -2.04 0.08 0.00 -0.55 0.00 0.00 41.25 38.62 1yeq s ASN 19 CO 0.17 -0.41 1.60 -0.37 -2.79 0.00 0.00 177.10 175.30 1yeq h VAL 20 N 4.72 0.26 -1.05 -5.21 -1.51 -1.95 0.23 116.25 111.75 1yeq h VAL 20 Ca 0.08 0.00 0.27 0.00 -1.23 0.00 0.00 66.70 65.82 1yeq h VAL 20 Cb 0.96 0.26 -0.10 0.00 -2.13 0.00 0.00 31.29 30.28 1yeq h VAL 20 CO 0.78 0.00 0.67 0.44 -1.23 0.00 0.00 177.57 178.23 1yeq h ASP 21 N -0.22 0.46 0.04 4.19 5.19 -1.93 -1.46 116.42 122.69 1yeq h ASP 21 Ca 0.19 0.09 -0.38 0.00 -0.62 0.00 0.00 57.03 56.31 1yeq h ASP 21 Cb 0.52 0.02 -0.05 0.00 0.18 0.00 0.00 39.33 40.00 1yeq h ASP 21 CO -0.54 0.08 -2.20 1.21 -3.12 0.00 0.00 179.24 174.66 1yeq n GLU 22 N -4.65 0.67 -0.06 3.56 2.13 -0.41 -3.81 120.64 118.07 1yeq n GLU 22 Ca 0.26 0.25 0.05 0.00 0.66 0.00 0.00 57.16 58.38 1yeq n GLU 22 Cb 0.89 -1.60 0.40 0.00 0.27 0.00 0.00 31.44 31.40 1yeq n GLU 22 CO 0.00 0.00 0.00 0.28 -0.41 0.00 0.00 177.13 177.00 1yeq h VAL 23 N -0.26 1.09 -0.09 6.31 2.07 -0.37 -2.77 116.25 122.23 1yeq h VAL 23 Ca -0.53 -0.21 -0.08 0.00 0.82 0.00 0.00 66.70 66.70 1yeq h VAL 23 Cb 1.83 0.41 0.00 0.00 -1.52 0.00 0.00 31.29 32.01 1yeq h VAL 23 CO -0.10 0.11 -0.24 1.23 0.02 0.00 0.00 177.57 178.59 1yeq h GLY 24 N 0.62 0.35 0.10 2.17 0.00 -1.46 -2.38 103.07 102.48 1yeq h GLY 24 Ca 0.20 -0.45 0.12 0.00 0.00 0.00 0.00 47.33 47.20 1yeq h GLY 24 CO -0.05 0.40 0.09 -1.33 0.00 0.00 0.00 176.54 175.65 1yeq h GLY 25 N -0.15 0.73 1.26 4.60 0.00 -1.62 -0.54 103.07 107.35 1yeq h GLY 25 Ca -0.01 0.01 -0.06 0.00 0.00 0.00 0.00 47.33 47.27 1yeq h GLY 25 CO 0.05 -0.15 0.10 0.83 0.00 0.00 0.00 176.54 177.37 1yeq h GLU 26 N 0.21 0.92 -0.15 4.80 5.08 -1.44 -1.49 114.58 122.51 1yeq h GLU 26 Ca 0.32 -0.22 -0.03 0.00 -1.00 0.00 0.00 59.36 58.43 1yeq h GLU 26 Cb 0.49 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.62 1yeq h GLU 26 CO -0.44 0.85 -0.03 0.00 -1.00 0.00 0.00 179.01 178.39 1yeq h ALA 27 N 1.23 0.20 -0.09 3.43 0.00 -0.71 0.12 119.26 123.45 1yeq h ALA 27 Ca 0.18 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.85 1yeq h ALA 27 Cb 0.38 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 1yeq h ALA 27 CO 0.01 -0.06 -0.02 1.25 0.00 0.00 0.00 179.25 180.44 1yeq h LEU 28 N -0.02 0.16 -0.32 0.00 5.85 -1.09 -0.34 115.31 119.56 1yeq h LEU 28 Ca 0.04 -0.36 0.05 0.00 0.84 0.00 0.00 57.88 58.45 1yeq h LEU 28 Cb 0.45 -0.04 -0.05 0.00 0.37 0.00 0.00 40.66 41.38 1yeq h LEU 28 CO 0.01 0.48 0.02 1.23 -0.34 0.00 0.00 178.44 179.85 1yeq h GLY 29 N -0.16 0.33 1.77 3.75 0.00 -1.30 -0.39 103.07 107.07 1yeq h GLY 29 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 1yeq h GLY 29 CO 0.01 -0.06 -0.00 3.21 0.00 0.00 0.00 176.54 179.70 1yeq h ARG 30 N 0.12 0.30 0.00 4.80 3.08 -0.90 0.99 114.38 122.77 1yeq h ARG 30 Ca 0.15 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1yeq h ARG 30 Cb 0.20 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.19 1yeq h ARG 30 CO -0.24 0.33 -0.06 1.25 -1.07 0.00 0.00 179.97 180.18 1yeq h LEU 31 N 0.29 0.00 0.00 3.04 5.85 0.61 0.03 115.31 125.14 1yeq h LEU 31 Ca 0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.79 1yeq h LEU 31 Cb 0.21 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.24 1yeq h LEU 31 CO 0.00 0.06 -0.83 -0.07 -0.34 0.00 0.00 178.44 177.26 1yeq h LEU 32 N 0.00 0.00 0.09 2.25 3.38 -0.01 -3.13 115.31 117.88 1yeq h LEU 32 Ca -0.00 -0.13 -0.34 0.00 0.09 0.00 0.00 57.88 57.50 1yeq h LEU 32 Cb 0.11 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1yeq h LEU 32 CO 0.01 0.06 -1.90 0.52 0.09 0.00 0.00 178.44 177.22 1yeq n VAL 33 N -2.38 1.71 0.07 1.22 0.31 -0.52 -3.97 118.33 114.77 1yeq n VAL 33 Ca 0.02 -0.52 -0.16 0.00 -0.01 0.00 0.00 64.34 63.67 1yeq n VAL 33 Cb 0.49 -1.78 -0.08 0.00 -0.91 0.00 0.00 33.84 31.57 1yeq n VAL 33 CO 0.00 0.00 0.00 0.58 -1.32 0.00 0.00 176.83 176.09 1yeq h VAL 34 N -0.17 1.37 -2.38 2.52 2.07 -1.16 -3.36 116.25 115.15 1yeq h VAL 34 Ca -0.43 -2.48 -0.60 0.00 0.82 0.00 0.00 66.70 64.01 1yeq h VAL 34 Cb 1.87 2.51 -0.41 0.00 -1.52 0.00 0.00 31.29 33.74 1yeq h VAL 34 CO 0.00 0.75 -0.69 -1.22 0.02 0.00 0.00 177.57 176.43 1yeq n TYR 35 N -3.75 2.71 -0.39 1.57 4.01 -1.18 -4.96 117.16 115.16 1yeq n TYR 35 Ca -0.09 -4.06 0.34 0.00 -0.16 0.00 0.00 57.90 53.94 1yeq n TYR 35 Cb 0.89 -0.50 0.67 0.00 -0.31 0.00 0.00 39.34 40.10 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 4.51 0.12 -0.47 -0.72 0.11 -1.72 -0.50 132.00 133.33 1yeq h PRO 36 Ca 0.17 -0.01 0.12 0.00 0.11 0.00 0.00 66.00 66.40 1yeq h PRO 36 Cb 0.73 -0.03 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1yeq h PRO 36 CO 0.73 0.08 0.33 0.10 -0.21 0.00 0.00 178.00 179.03 1yeq h TYR 37 N 0.12 0.10 0.00 0.65 -0.00 -1.92 -1.68 116.97 114.24 1yeq h TYR 37 Ca 0.67 0.00 0.00 0.00 0.00 0.00 0.00 58.73 59.40 1yeq h TYR 37 Cb 2.30 -0.03 0.00 0.00 0.00 0.00 0.00 36.73 39.00 1yeq h TYR 37 CO -0.00 0.04 0.00 0.25 -0.00 0.00 0.00 178.16 178.45 1yeq n THR 38 N -4.42 0.36 0.62 -0.90 -2.24 -0.20 -2.37 114.28 105.13 1yeq n THR 38 Ca 0.08 0.00 0.10 0.00 -2.27 0.00 0.00 64.05 61.96 1yeq n THR 38 Cb 0.48 -0.60 -0.13 0.00 -2.10 0.00 0.00 70.33 67.98 1yeq n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yeq n GLN 39 N 0.53 0.35 0.25 -0.78 6.02 -0.63 -4.34 117.38 118.77 1yeq n GLN 39 Ca 0.00 -0.07 0.17 0.00 -0.01 0.00 0.00 57.00 57.09 1yeq n GLN 39 Cb 0.23 -1.49 0.81 0.00 1.02 0.00 0.00 30.24 30.82 1yeq n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1yeq h ARG 40 N 0.00 0.00 0.00 -1.09 0.11 -1.71 0.81 114.38 112.51 1yeq h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1yeq h ARG 40 Cb 0.66 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.74 1yeq h ARG 40 CO 0.00 0.00 -0.81 1.19 0.10 0.00 0.00 179.97 180.45 1yeq n PHE 41 N -3.23 0.00 -1.36 4.08 3.72 -1.26 -4.43 117.46 114.98 1yeq n PHE 41 Ca 0.01 0.00 0.08 0.00 -0.05 0.00 0.00 57.45 57.49 1yeq n PHE 41 Cb 0.44 -0.11 0.15 0.00 -0.94 0.00 0.00 39.48 39.02 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 -1.51 0.00 0.17 1.38 3.72 0.27 -4.79 117.46 116.70 1yeq n PHE 42 Ca 0.05 -1.07 0.06 0.00 -0.05 0.00 0.00 57.45 56.43 1yeq n PHE 42 Cb 0.33 -0.18 0.30 0.00 -0.94 0.00 0.00 39.48 39.00 1yeq n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1yeq h GLU 43 N 0.36 0.00 -0.65 -1.08 4.11 -1.76 0.33 114.58 115.89 1yeq h GLU 43 Ca -0.01 0.00 -0.00 0.00 0.07 0.00 0.00 59.36 59.42 1yeq h GLU 43 Cb 1.06 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.31 1yeq h GLU 43 CO 0.00 0.00 0.00 -1.13 0.07 0.00 0.00 179.01 177.96 1yeq n SER 44 N -2.01 5.01 -1.16 3.06 3.41 -1.26 -3.98 113.62 116.68 1yeq n SER 44 Ca -0.01 -2.79 0.12 0.00 -0.26 0.00 0.00 58.87 55.93 1yeq n SER 44 Cb 0.41 -0.66 0.25 0.00 -0.26 0.00 0.00 64.21 63.95 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 0.52 0.58 -2.38 7.33 3.01 0.11 -5.06 117.46 121.57 1yeq n PHE 45 Ca 0.24 -0.29 0.00 0.00 1.01 0.00 0.00 57.45 58.41 1yeq n PHE 45 Cb 1.06 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.53 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 1.52 0.42 3.67 1.37 0.00 -1.26 -4.83 105.19 106.09 1yeq n GLY 46 Ca 0.20 -1.26 -0.43 0.00 0.00 0.00 0.00 46.02 44.53 1yeq n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1yeq s ASP 47 N -4.00 7.13 -0.15 1.61 2.15 -1.26 -4.89 116.67 117.26 1yeq s ASP 47 Ca 0.00 1.53 0.19 0.00 0.43 0.00 0.00 52.55 54.69 1yeq s ASP 47 Cb 0.00 -2.55 0.45 0.00 -0.30 0.00 0.00 42.92 40.52 1yeq s ASP 47 CO 0.00 -0.59 1.18 0.18 -0.17 0.00 0.00 175.17 175.77 1yeq n LEU 48 N 5.72 2.13 0.11 -1.34 4.77 -1.26 -4.38 117.00 122.75 1yeq n LEU 48 Ca 0.11 -3.11 -0.01 0.00 -0.03 0.00 0.00 56.01 52.97 1yeq n LEU 48 Cb 0.47 -0.11 -0.03 0.00 -2.33 0.00 0.00 43.42 41.42 1yeq n LEU 48 CO 0.53 1.08 0.33 0.77 -1.33 0.00 0.00 177.39 178.77 1yeq h SER 49 N 1.47 0.00 -4.34 -1.43 4.64 -1.93 -3.45 113.55 108.50 1yeq h SER 49 Ca -0.07 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.98 1yeq h SER 49 Cb 1.48 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.42 1yeq h SER 49 CO 0.18 0.68 -0.69 0.42 -0.87 0.00 0.00 176.83 176.54 1yeq s THR 50 N -2.87 0.86 0.14 2.95 -4.23 -1.26 -5.06 115.64 106.17 1yeq s THR 50 Ca 0.03 -1.99 -0.30 0.00 -1.18 0.00 0.00 61.69 58.25 1yeq s THR 50 Cb 0.08 -1.87 -0.05 0.00 1.34 0.00 0.00 72.50 72.01 1yeq s THR 50 CO 0.77 -0.71 1.56 -0.65 -0.54 0.00 0.00 174.62 175.05 1yeq h PRO 51 N 2.82 -0.33 -0.37 3.99 0.11 -1.99 -1.81 132.00 134.41 1yeq h PRO 51 Ca -0.36 0.02 0.04 0.00 0.11 0.00 0.00 66.00 65.81 1yeq h PRO 51 Cb 1.19 0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.34 1yeq h PRO 51 CO 0.64 -0.22 0.16 -0.44 -0.21 0.00 0.00 178.00 177.93 1yeq h ASP 52 N -0.35 0.21 -0.99 -2.05 3.32 -1.97 -1.74 116.42 112.85 1yeq h ASP 52 Ca 0.11 0.03 0.27 0.00 0.02 0.00 0.00 57.03 57.46 1yeq h ASP 52 Cb 0.59 -0.01 -0.13 0.00 0.22 0.00 0.00 39.33 40.00 1yeq h ASP 52 CO -0.61 0.16 0.55 0.00 -1.72 0.00 0.00 179.24 177.63 1yeq h ALA 53 N 1.22 1.79 0.04 3.45 0.00 -1.67 0.50 119.26 124.58 1yeq h ALA 53 Ca 0.16 0.15 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 1yeq h ALA 53 Cb 0.11 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1yeq h ALA 53 CO -0.14 -0.38 -0.02 0.28 0.00 0.00 0.00 179.25 179.00 1yeq h VAL 54 N 0.47 0.00 0.00 0.00 2.07 -0.91 -1.44 116.25 116.45 1yeq h VAL 54 Ca 0.66 -0.07 0.00 0.00 0.82 0.00 0.00 66.70 68.11 1yeq h VAL 54 Cb 1.34 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.11 1yeq h VAL 54 CO -0.53 0.00 0.48 0.24 0.02 0.00 0.00 177.57 177.78 1yeq h MET 55 N -0.12 0.00 0.00 1.57 2.07 -1.16 -0.44 114.93 116.85 1yeq h MET 55 Ca -0.01 0.00 -0.02 0.00 -2.07 0.00 0.00 59.70 57.61 1yeq h MET 55 Cb 0.04 0.00 -0.00 0.00 -1.87 0.00 0.00 31.60 29.76 1yeq h MET 55 CO 0.01 0.00 -1.62 0.41 1.07 0.00 0.00 176.91 176.78 1yeq n GLY 56 N -1.29 -0.60 3.67 8.32 0.00 0.15 -4.91 105.19 110.53 1yeq n GLY 56 Ca -0.01 -0.30 -0.46 0.00 0.00 0.00 0.00 46.02 45.24 1yeq n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1yeq n ASN 57 N -1.99 3.70 0.15 1.61 2.85 -0.18 -4.85 115.26 116.55 1yeq n ASN 57 Ca -0.04 0.93 0.13 0.00 -0.11 0.00 0.00 54.58 55.49 1yeq n ASN 57 Cb 0.38 -1.43 0.48 0.00 1.24 0.00 0.00 39.78 40.46 1yeq n ASN 57 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 1yeq h PRO 58 N 9.85 0.00 0.04 1.20 0.11 -1.89 -1.72 132.00 139.59 1yeq h PRO 58 Ca -0.49 0.00 -0.22 0.00 0.11 0.00 0.00 66.00 65.40 1yeq h PRO 58 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1yeq h PRO 58 CO 0.95 0.00 -1.03 0.87 -0.21 0.00 0.00 178.00 178.58 1yeq h LYS 59 N 0.00 0.15 -0.01 1.05 1.57 -1.88 -0.50 116.57 116.94 1yeq h LYS 59 Ca 0.00 -0.21 -0.00 0.00 -1.87 0.00 0.00 60.65 58.57 1yeq h LYS 59 Cb 0.49 0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1yeq h LYS 59 CO 0.00 1.04 0.00 0.28 -0.57 0.00 0.00 179.45 180.21 1yeq h VAL 60 N 0.06 1.16 -0.49 0.50 2.07 -1.65 -0.59 116.25 117.31 1yeq h VAL 60 Ca -0.06 -0.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.98 1yeq h VAL 60 Cb 1.73 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 32.94 1yeq h VAL 60 CO 0.15 0.12 0.26 0.11 0.02 0.00 0.00 177.57 178.24 1yeq h LYS 61 N -0.18 0.68 -0.24 1.57 1.57 -1.40 0.10 116.57 118.67 1yeq h LYS 61 Ca 0.00 -0.08 0.04 0.00 -1.87 0.00 0.00 60.65 58.74 1yeq h LYS 61 Cb 0.20 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.34 1yeq h LYS 61 CO -0.00 0.53 0.01 0.00 -0.57 0.00 0.00 179.45 179.43 1yeq h ALA 62 N 1.11 0.22 -0.48 3.86 0.00 -1.04 -1.29 119.26 121.63 1yeq h ALA 62 Ca 0.17 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1yeq h ALA 62 Cb 0.06 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1yeq h ALA 62 CO -0.03 -0.41 0.31 1.25 0.00 0.00 0.00 179.25 180.37 1yeq h HIS 63 N 0.09 0.61 -0.18 0.00 -0.00 -0.47 -2.34 115.15 112.86 1yeq h HIS 63 Ca 0.11 0.01 0.04 0.00 -0.00 0.00 0.00 60.37 60.54 1yeq h HIS 63 Cb 0.14 -0.20 -0.04 0.00 -0.00 0.00 0.00 27.41 27.30 1yeq h HIS 63 CO -0.18 0.39 -0.10 0.78 -0.00 0.00 0.00 177.93 178.82 1yeq h GLY 64 N 0.67 0.06 -0.06 5.26 0.00 0.32 -2.20 103.07 107.11 1yeq h GLY 64 Ca 0.17 0.12 0.04 0.00 0.00 0.00 0.00 47.33 47.67 1yeq h GLY 64 CO -0.04 -0.12 -0.47 0.50 0.00 0.00 0.00 176.54 176.42 1yeq h LYS 65 N -0.08 -0.50 -0.42 4.80 1.57 -0.84 -1.93 116.57 119.16 1yeq h LYS 65 Ca 0.10 0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.96 1yeq h LYS 65 Cb 0.24 0.11 -0.06 0.00 0.08 0.00 0.00 32.23 32.60 1yeq h LYS 65 CO -0.23 -0.34 -0.31 -0.22 -0.57 0.00 0.00 179.45 177.78 1yeq h LYS 66 N -0.52 -0.08 -0.23 3.15 3.64 -1.21 0.14 116.57 121.47 1yeq h LYS 66 Ca 0.06 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.49 1yeq h LYS 66 Cb 0.65 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.45 1yeq h LYS 66 CO -0.42 -0.05 -0.03 0.28 -2.27 0.00 0.00 179.45 176.96 1yeq h VAL 67 N -0.08 0.81 -0.61 2.00 2.07 -1.38 -1.55 116.25 117.51 1yeq h VAL 67 Ca 0.07 -0.01 0.05 0.00 0.82 0.00 0.00 66.70 67.63 1yeq h VAL 67 Cb 0.26 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 30.76 1yeq h VAL 67 CO -0.44 0.01 0.40 -0.07 0.02 0.00 0.00 177.57 177.49 1yeq h LEU 68 N 0.04 0.54 0.06 2.57 -0.00 -0.63 -1.03 115.31 116.86 1yeq h LEU 68 Ca 0.11 -0.00 -0.00 0.00 -0.00 0.00 0.00 57.88 57.98 1yeq h LEU 68 Cb 0.15 -0.12 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1yeq h LEU 68 CO -0.21 0.36 -0.03 1.23 -0.00 0.00 0.00 178.44 179.79 1yeq h GLY 69 N 0.62 -0.09 2.00 0.83 0.00 0.23 -1.69 103.07 104.97 1yeq h GLY 69 Ca 0.26 0.03 -0.03 0.00 0.00 0.00 0.00 47.33 47.59 1yeq h GLY 69 CO -0.08 -0.03 -0.12 0.00 0.00 0.00 0.00 176.54 176.31 1yeq h ALA 70 N 0.79 1.29 -0.31 3.60 0.00 -0.67 -2.08 119.26 121.88 1yeq h ALA 70 Ca -0.01 -0.11 -0.18 0.00 0.00 0.00 0.00 54.91 54.61 1yeq h ALA 70 Cb 0.12 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1yeq h ALA 70 CO 0.01 0.16 -0.51 0.35 0.00 0.00 0.00 179.25 179.26 1yeq h PHE 71 N 0.00 1.08 0.00 0.00 3.04 -0.68 -2.92 116.94 117.47 1yeq h PHE 71 Ca -0.00 -0.37 -0.05 0.00 3.98 0.00 0.00 57.97 61.53 1yeq h PHE 71 Cb 0.35 -0.21 -0.01 0.00 2.56 0.00 0.00 35.95 38.64 1yeq h PHE 71 CO 0.00 1.20 -0.24 0.77 -2.02 0.00 0.00 178.31 178.01 1yeq h SER 72 N 0.68 0.00 0.69 0.41 0.02 -0.63 -1.96 113.55 112.76 1yeq h SER 72 Ca 0.03 0.00 -0.14 0.00 -0.84 0.00 0.00 61.79 60.83 1yeq h SER 72 Cb 1.11 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.63 1yeq h SER 72 CO 0.11 0.24 -0.69 0.44 -1.14 0.00 0.00 176.83 175.80 1yeq h ASP 73 N 0.00 0.00 0.69 3.07 5.19 -1.33 -2.96 116.42 121.09 1yeq h ASP 73 Ca -0.00 0.00 -0.10 0.00 -0.62 0.00 0.00 57.03 56.31 1yeq h ASP 73 Cb 0.58 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.08 1yeq h ASP 73 CO 0.03 0.69 -0.48 1.23 -3.12 0.00 0.00 179.24 177.58 1yeq h GLY 74 N 2.06 0.00 2.00 2.75 0.00 -1.18 -2.80 103.07 105.90 1yeq h GLY 74 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1yeq h GLY 74 CO 0.09 0.00 0.00 1.41 0.00 0.00 0.00 176.54 178.04 1yeq h LEU 75 N 0.00 0.00 -1.94 3.11 3.38 -1.33 -1.67 115.31 116.86 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 0.96 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.71 1yeq h LEU 75 CO 0.06 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.59 1yeq n ALA 76 N -1.86 2.43 -2.37 1.53 0.00 -1.06 -3.89 120.51 115.30 1yeq n ALA 76 Ca 0.04 -0.90 0.00 0.00 0.00 0.00 0.00 53.44 52.58 1yeq n ALA 76 Cb 0.36 -0.96 -0.00 0.00 0.00 0.00 0.00 19.45 18.84 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 1.07 0.01 0.08 0.00 8.25 -0.90 -4.94 115.22 118.79 1yeq n HIS 77 Ca 0.18 -0.61 0.01 0.00 -0.26 0.00 0.00 57.72 57.04 1yeq n HIS 77 Cb 0.48 0.08 0.05 0.00 1.12 0.00 0.00 29.99 31.72 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 0.25 0.05 -1.21 2.41 4.77 -0.68 0.03 117.00 122.61 1yeq n LEU 78 Ca -0.05 0.20 0.09 0.00 -0.03 0.00 0.00 56.01 56.22 1yeq n LEU 78 Cb 0.99 -0.11 0.29 0.00 -2.33 0.00 0.00 43.42 42.26 1yeq n LEU 78 CO -0.07 -0.22 0.75 0.47 -1.33 0.00 0.00 177.39 176.99 1yeq n ASP 79 N -1.44 4.07 -2.70 -1.43 8.00 -1.26 -4.55 116.55 117.25 1yeq n ASP 79 Ca -0.00 -2.37 -0.07 0.00 0.71 0.00 0.00 54.79 53.06 1yeq n ASP 79 Cb 0.52 -0.48 0.10 0.00 -0.02 0.00 0.00 41.12 41.24 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 0.78 -1.93 -0.07 -2.24 5.15 0.10 -5.02 115.26 112.04 1yeq n ASN 80 Ca 0.21 -2.98 -0.12 0.00 -0.60 0.00 0.00 54.58 51.09 1yeq n ASN 80 Cb 0.74 1.61 -0.05 0.00 -0.53 0.00 0.00 39.78 41.55 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 2.62 0.36 -1.77 1.20 3.38 -1.80 -2.68 115.31 116.62 1yeq h LEU 81 Ca -0.19 -0.33 0.13 0.00 0.09 0.00 0.00 57.88 57.57 1yeq h LEU 81 Cb 1.15 -0.10 -0.03 0.00 0.09 0.00 0.00 40.66 41.77 1yeq h LEU 81 CO 0.07 0.61 0.40 0.11 0.09 0.00 0.00 178.44 179.71 1yeq h LYS 82 N 0.11 0.24 0.24 1.13 1.57 -1.93 -1.00 116.57 116.92 1yeq h LYS 82 Ca 0.05 -0.01 -0.32 0.00 -1.87 0.00 0.00 60.65 58.50 1yeq h LYS 82 Cb 0.43 -0.05 0.04 0.00 0.08 0.00 0.00 32.23 32.73 1yeq h LYS 82 CO 0.01 0.16 -1.43 0.78 -0.57 0.00 0.00 179.45 178.40 1yeq h GLY 83 N 0.24 0.58 0.69 3.86 0.00 -1.93 -2.72 103.07 103.80 1yeq h GLY 83 Ca 0.28 -1.49 0.06 0.00 0.00 0.00 0.00 47.33 46.18 1yeq h GLY 83 CO -0.06 1.30 0.36 -0.84 0.00 0.00 0.00 176.54 177.31 1yeq h THR 84 N 0.08 0.97 -0.66 4.70 2.02 -0.95 -2.72 112.91 116.35 1yeq h THR 84 Ca -0.25 -0.23 0.00 0.00 0.77 0.00 0.00 66.41 66.70 1yeq h THR 84 Cb 2.11 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1yeq h THR 84 CO 0.26 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.76 1yeq n PHE 85 N -4.79 1.30 -0.11 3.16 3.72 -0.47 -4.60 117.46 115.66 1yeq n PHE 85 Ca 0.08 -0.58 -0.05 0.00 -0.05 0.00 0.00 57.45 56.85 1yeq n PHE 85 Cb 0.17 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.56 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 4.07 0.34 -0.28 4.37 0.00 -1.14 -0.16 119.26 126.46 1yeq h ALA 86 Ca 0.00 0.10 -0.18 0.00 0.00 0.00 0.00 54.91 54.83 1yeq h ALA 86 Cb 1.29 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.25 1yeq h ALA 86 CO 0.15 -0.39 -0.53 1.79 0.00 0.00 0.00 179.25 180.28 1yeq h THR 87 N 0.11 1.28 -0.17 0.00 1.35 -1.81 -2.81 112.91 110.87 1yeq h THR 87 Ca 0.18 -1.72 -0.01 0.00 -0.55 0.00 0.00 66.41 64.31 1yeq h THR 87 Cb 0.24 1.63 -0.01 0.00 -1.73 0.00 0.00 68.15 68.28 1yeq h THR 87 CO -0.29 0.56 0.08 -0.07 -0.25 0.00 0.00 175.52 175.55 1yeq h LEU 88 N 0.63 0.20 0.39 3.87 4.07 -1.75 -1.23 115.31 121.48 1yeq h LEU 88 Ca 0.02 -0.01 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 1yeq h LEU 88 Cb 1.12 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 42.81 1yeq h LEU 88 CO 0.11 0.17 -0.19 -1.28 -1.08 0.00 0.00 178.44 176.18 1yeq h SER 89 N 0.23 -0.45 -0.89 -0.43 0.87 -0.91 -0.38 113.55 111.59 1yeq h SER 89 Ca 0.06 -0.12 0.21 0.00 -1.23 0.00 0.00 61.79 60.70 1yeq h SER 89 Cb 0.03 0.12 -0.12 0.00 -0.44 0.00 0.00 62.40 61.99 1yeq h SER 89 CO -0.01 -0.04 0.41 -0.33 -0.53 0.00 0.00 176.83 176.33 1yeq h GLU 90 N -0.95 0.44 0.92 2.24 5.08 -1.22 -0.28 114.58 120.80 1yeq h GLU 90 Ca -0.05 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.24 1yeq h GLU 90 Cb 0.55 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.70 1yeq h GLU 90 CO 0.09 0.29 -0.46 1.25 -1.00 0.00 0.00 179.01 179.18 1yeq h LEU 91 N 0.45 -1.10 -2.41 1.33 5.85 -1.06 1.02 115.31 119.39 1yeq h LEU 91 Ca 0.55 0.04 0.02 0.00 0.84 0.00 0.00 57.88 59.33 1yeq h LEU 91 Cb 1.00 0.29 -0.00 0.00 0.37 0.00 0.00 40.66 42.32 1yeq h LEU 91 CO -0.50 -0.76 0.10 0.45 -0.34 0.00 0.00 178.44 177.39 1yeq h HIS 92 N -1.26 0.00 0.00 1.25 3.86 -0.15 -1.63 115.15 117.23 1yeq h HIS 92 Ca -0.13 0.00 -0.24 0.00 -1.16 0.00 0.00 60.37 58.84 1yeq h HIS 92 Cb 0.97 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 29.40 1yeq h HIS 92 CO -0.00 0.00 -1.33 0.00 0.86 0.00 0.00 177.93 177.45 1yeq h ASP 94 N -1.00 0.37 0.12 0.00 3.32 0.11 -3.29 116.42 116.06 1yeq h ASP 94 Ca -0.37 -0.94 -0.34 0.00 0.02 0.00 0.00 57.03 55.40 1yeq h ASP 94 Cb 1.32 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 40.73 1yeq h ASP 94 CO -0.22 1.28 -1.85 0.11 -1.72 0.00 0.00 179.24 176.84 1yeq h LYS 95 N -0.47 0.25 0.00 3.56 6.56 -1.43 -3.41 116.57 121.63 1yeq h LYS 95 Ca -0.10 -0.43 -0.01 0.00 -1.06 0.00 0.00 60.65 59.05 1yeq h LYS 95 Cb 1.46 0.16 -0.00 0.00 -0.57 0.00 0.00 32.23 33.28 1yeq h LYS 95 CO 0.12 1.21 -1.88 1.28 -2.06 0.00 0.00 179.45 178.11 1yeq n LEU 96 N -3.64 0.11 -3.43 2.94 4.77 -0.93 -5.01 117.00 111.82 1yeq n LEU 96 Ca -0.31 0.04 -0.20 0.00 -0.03 0.00 0.00 56.01 55.52 1yeq n LEU 96 Cb 1.00 0.01 0.06 0.00 -2.33 0.00 0.00 43.42 42.16 1yeq n LEU 96 CO 0.41 -0.01 0.00 1.41 -1.33 0.00 0.00 177.39 177.88 1yeq n HIS 97 N -2.33 -2.24 -3.88 -1.77 8.25 -0.19 -4.97 115.22 108.09 1yeq n HIS 97 Ca -0.04 0.77 -0.35 0.00 -0.26 0.00 0.00 57.72 57.83 1yeq n HIS 97 Cb 0.59 -4.10 -0.10 0.00 1.12 0.00 0.00 29.99 27.50 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 -3.44 4.79 -0.09 1.59 1.01 0.27 -5.01 120.40 119.51 1yeq s VAL 98 Ca 0.36 -0.02 -0.30 0.00 0.00 0.00 0.00 61.98 62.02 1yeq s VAL 98 Cb -0.07 -3.19 -0.08 0.00 0.00 0.00 0.00 36.38 33.04 1yeq s VAL 98 CO 0.78 0.41 2.08 -0.67 0.00 0.00 0.00 175.10 177.69 1yeq n ASP 99 N 4.03 3.67 0.17 3.32 -0.08 -1.26 -4.78 116.55 121.62 1yeq n ASP 99 Ca -0.16 0.60 0.18 0.00 -1.51 0.00 0.00 54.79 53.90 1yeq n ASP 99 Cb 0.52 -1.52 0.70 0.00 2.34 0.00 0.00 41.12 43.16 1yeq n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1yeq h PRO 100 N 12.41 0.00 -0.73 -0.67 0.11 -1.96 0.14 132.00 141.29 1yeq h PRO 100 Ca -0.45 0.00 0.16 0.00 0.11 0.00 0.00 66.00 65.82 1yeq h PRO 100 Cb 1.25 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.31 1yeq h PRO 100 CO 0.95 0.00 0.50 1.49 -0.21 0.00 0.00 178.00 180.73 1yeq h GLU 101 N 0.00 0.31 -0.03 1.05 4.57 -1.99 -0.04 114.58 118.44 1yeq h GLU 101 Ca 0.14 -0.02 -0.02 0.00 -1.18 0.00 0.00 59.36 58.28 1yeq h GLU 101 Cb 1.15 -0.07 -0.00 0.00 -0.16 0.00 0.00 28.75 29.67 1yeq h GLU 101 CO -0.00 0.20 -0.08 -0.91 -1.18 0.00 0.00 179.01 177.04 1yeq h ASN 102 N 0.32 0.04 -0.62 1.04 -0.26 -1.08 -2.65 115.58 112.37 1yeq h ASN 102 Ca 0.36 -0.00 0.09 0.00 -0.56 0.00 0.00 56.30 56.19 1yeq h ASN 102 Cb 0.96 -0.01 -0.04 0.00 -1.06 0.00 0.00 38.32 38.17 1yeq h ASN 102 CO -0.10 0.13 0.41 -0.26 -1.06 0.00 0.00 177.43 176.56 1yeq h PHE 103 N 0.05 0.49 0.00 1.19 0.04 -1.19 0.12 116.94 117.64 1yeq h PHE 103 Ca 0.01 0.01 -0.08 0.00 2.80 0.00 0.00 57.97 60.71 1yeq h PHE 103 Cb 0.18 -0.16 -0.01 0.00 2.20 0.00 0.00 35.95 38.15 1yeq h PHE 103 CO 0.00 0.24 -0.39 0.00 -0.60 0.00 0.00 178.31 177.56 1yeq h ARG 104 N 0.47 0.00 0.18 1.51 3.08 -1.62 -1.11 114.38 116.89 1yeq h ARG 104 Ca 0.28 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.32 1yeq h ARG 104 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.54 1yeq h ARG 104 CO -0.08 0.39 -0.09 -0.07 -1.07 0.00 0.00 179.97 179.05 1yeq h LEU 105 N 0.00 -0.20 -0.60 3.04 3.38 -1.05 -2.30 115.31 117.58 1yeq h LEU 105 Ca -0.00 -0.33 0.07 0.00 0.09 0.00 0.00 57.88 57.70 1yeq h LEU 105 Cb 0.99 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.74 1yeq h LEU 105 CO 0.05 0.30 0.29 0.25 0.09 0.00 0.00 178.44 179.42 1yeq h LEU 106 N -0.79 0.40 -0.11 1.67 5.85 -1.41 -1.29 115.31 119.62 1yeq h LEU 106 Ca -0.02 0.04 0.02 0.00 0.84 0.00 0.00 57.88 58.76 1yeq h LEU 106 Cb 0.52 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.48 1yeq h LEU 106 CO 0.04 0.26 -0.40 1.23 -0.34 0.00 0.00 178.44 179.23 1yeq h GLY 107 N 0.54 -1.23 1.69 3.75 0.00 -1.21 0.34 103.07 106.95 1yeq h GLY 107 Ca 0.28 0.69 -0.00 0.00 0.00 0.00 0.00 47.33 48.29 1yeq h GLY 107 CO -0.21 -0.30 0.17 3.43 0.00 0.00 0.00 176.54 179.63 1yeq h ASN 108 N -0.42 0.37 -0.60 0.19 2.35 -1.10 -0.62 115.58 115.75 1yeq h ASN 108 Ca 0.03 -0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.67 1yeq h ASN 108 Cb 0.49 -0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.75 1yeq h ASN 108 CO -0.33 0.29 0.05 0.58 -1.65 0.00 0.00 177.43 176.38 1yeq h VAL 109 N 0.42 1.26 -0.50 2.81 2.07 -0.32 -2.15 116.25 119.85 1yeq h VAL 109 Ca 0.11 -1.08 0.08 0.00 0.82 0.00 0.00 66.70 66.63 1yeq h VAL 109 Cb 0.01 0.77 -0.06 0.00 -1.52 0.00 0.00 31.29 30.49 1yeq h VAL 109 CO -0.02 0.39 0.13 0.25 0.02 0.00 0.00 177.57 178.34 1yeq h LEU 110 N 0.93 0.07 -0.24 2.57 5.85 0.12 -0.95 115.31 123.66 1yeq h LEU 110 Ca 0.18 0.08 0.02 0.00 0.84 0.00 0.00 57.88 59.00 1yeq h LEU 110 Cb 0.49 0.09 -0.03 0.00 0.37 0.00 0.00 40.66 41.59 1yeq h LEU 110 CO 0.02 0.07 0.08 0.58 -0.34 0.00 0.00 178.44 178.85 1yeq h VAL 111 N 0.28 0.94 -0.61 1.05 2.07 -1.02 -0.85 116.25 118.10 1yeq h VAL 111 Ca 0.25 -0.06 0.12 0.00 0.82 0.00 0.00 66.70 67.82 1yeq h VAL 111 Cb 0.31 0.73 -0.10 0.00 -1.52 0.00 0.00 31.29 30.71 1yeq h VAL 111 CO -0.29 0.03 0.08 0.00 0.02 0.00 0.00 177.57 177.41 1yeq h VAL 113 N 0.20 1.13 -0.13 0.00 2.07 -0.39 0.16 116.25 119.28 1yeq h VAL 113 Ca 0.33 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.60 1yeq h VAL 113 Cb 0.51 0.64 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 1yeq h VAL 113 CO -0.46 0.13 -0.38 -0.07 0.02 0.00 0.00 177.57 176.81 1yeq h LEU 114 N 0.49 -1.18 -1.12 2.57 3.38 -0.22 0.17 115.31 119.39 1yeq h LEU 114 Ca 0.13 0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.47 1yeq h LEU 114 Cb 0.01 0.49 -0.10 0.00 0.09 0.00 0.00 40.66 41.14 1yeq h LEU 114 CO -0.02 -0.40 0.62 0.00 0.09 0.00 0.00 178.44 178.72 1yeq h ALA 115 N 0.25 1.82 -0.36 1.53 0.00 -0.42 -0.04 119.26 122.04 1yeq h ALA 115 Ca 0.08 0.07 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1yeq h ALA 115 Cb 0.60 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 1yeq h ALA 115 CO -0.38 -0.20 0.12 1.25 0.00 0.00 0.00 179.25 180.04 1yeq h HIS 116 N 0.66 0.58 -0.04 0.00 -0.00 0.97 -2.35 115.15 114.97 1yeq h HIS 116 Ca 0.57 -0.06 -0.15 0.00 -0.00 0.00 0.00 60.37 60.73 1yeq h HIS 116 Cb 1.04 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 28.26 1yeq h HIS 116 CO -0.00 0.56 -0.66 0.45 -0.00 0.00 0.00 177.93 178.27 1yeq h HIS 117 N 0.44 0.24 -0.21 5.26 -0.00 0.41 -3.36 115.15 117.94 1yeq h HIS 117 Ca 0.12 -0.10 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 1yeq h HIS 117 Cb 0.25 -0.04 0.00 0.00 -0.00 0.00 0.00 27.41 27.62 1yeq h HIS 117 CO 0.01 0.79 0.00 1.19 -0.00 0.00 0.00 177.93 179.92 1yeq n PHE 118 N -3.81 0.27 0.00 2.45 3.72 -0.17 -5.06 117.46 114.85 1yeq n PHE 118 Ca -0.02 -0.28 0.00 0.00 -0.05 0.00 0.00 57.45 57.10 1yeq n PHE 118 Cb 0.66 -0.01 0.00 0.00 -0.94 0.00 0.00 39.48 39.18 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 0.58 1.83 0.48 1.37 0.00 -0.89 -0.86 105.19 107.70 1yeq n GLY 119 Ca 0.10 0.02 0.29 0.00 0.00 0.00 0.00 46.02 46.43 1yeq n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yeq h LYS 120 N 0.00 0.00 0.00 1.61 -0.00 -1.97 0.05 116.57 116.26 1yeq h LYS 120 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 60.65 60.63 1yeq h LYS 120 Cb 0.00 0.00 -0.00 0.00 -0.00 0.00 0.00 32.23 32.23 1yeq h LYS 120 CO 0.00 0.00 -0.08 1.49 -0.00 0.00 0.00 179.45 180.86 1yeq h GLU 121 N 0.00 0.00 -2.92 0.07 4.81 -1.41 -3.25 114.58 111.88 1yeq h GLU 121 Ca 0.44 0.00 -0.70 0.00 -0.13 0.00 0.00 59.36 58.97 1yeq h GLU 121 Cb 1.83 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 31.17 1yeq h GLU 121 CO -0.00 0.08 3.21 0.34 -0.73 0.00 0.00 179.01 181.91 1yeq n PHE 122 N -3.39 2.56 -1.16 0.92 7.35 0.00 -4.95 117.46 118.78 1yeq n PHE 122 Ca -0.01 -2.98 -0.33 0.00 -0.76 0.00 0.00 57.45 53.37 1yeq n PHE 122 Cb 0.24 -2.23 0.12 0.00 0.35 0.00 0.00 39.48 37.96 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 0.87 2.37 0.21 -2.13 -4.23 -1.23 -4.66 115.64 106.84 1yeq s THR 123 Ca 0.62 0.15 -0.19 0.00 -1.18 0.00 0.00 61.69 61.09 1yeq s THR 123 Cb 0.18 -2.52 0.19 0.00 1.34 0.00 0.00 72.50 71.69 1yeq s THR 123 CO -0.07 -0.13 1.56 -0.65 -0.54 0.00 0.00 174.62 174.79 1yeq h PRO 124 N -0.94 -0.05 -0.17 3.99 0.11 -1.93 0.13 132.00 133.15 1yeq h PRO 124 Ca -0.45 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.71 1yeq h PRO 124 Cb 1.28 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.39 1yeq h PRO 124 CO 0.47 -0.03 0.12 -1.35 -0.21 0.00 0.00 178.00 177.00 1yeq h PRO 125 N -0.05 0.00 -0.01 1.05 0.11 -1.99 0.63 132.00 131.74 1yeq h PRO 125 Ca 0.30 -0.00 -0.17 0.00 0.11 0.00 0.00 66.00 66.24 1yeq h PRO 125 Cb 0.58 -0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.67 1yeq h PRO 125 CO -0.90 0.00 -0.77 0.28 -0.21 0.00 0.00 178.00 176.41 1yeq h VAL 126 N 0.00 1.49 0.08 3.15 2.07 -1.11 -3.16 116.25 118.78 1yeq h VAL 126 Ca 0.08 -2.46 -0.00 0.00 0.82 0.00 0.00 66.70 65.13 1yeq h VAL 126 Cb 0.31 2.34 0.00 0.00 -1.52 0.00 0.00 31.29 32.42 1yeq h VAL 126 CO -0.00 0.71 -0.04 -0.61 0.02 0.00 0.00 177.57 177.65 1yeq h GLN 127 N 0.08 -0.11 -0.89 1.57 4.15 0.23 -2.64 115.11 117.50 1yeq h GLN 127 Ca -0.02 0.01 0.13 0.00 0.77 0.00 0.00 58.65 59.53 1yeq h GLN 127 Cb 1.35 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 29.00 1yeq h GLN 127 CO 0.11 0.19 0.57 0.00 -1.93 0.00 0.00 178.83 177.78 1yeq h ALA 128 N 0.47 1.76 0.68 3.38 0.00 -1.43 0.71 119.26 124.84 1yeq h ALA 128 Ca -0.01 0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 1yeq h ALA 128 Cb 0.35 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1yeq h ALA 128 CO 0.02 0.01 -0.40 0.00 0.00 0.00 0.00 179.25 178.88 1yeq h ALA 129 N 1.59 -1.03 -0.46 0.00 0.00 -1.50 -1.83 119.26 116.03 1yeq h ALA 129 Ca 0.44 -0.21 0.01 0.00 0.00 0.00 0.00 54.91 55.15 1yeq h ALA 129 Cb 0.62 0.48 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1yeq h ALA 129 CO -0.20 -1.09 0.31 1.88 0.00 0.00 0.00 179.25 180.14 1yeq h TYR 130 N -1.01 0.56 -0.54 0.00 0.05 -0.68 0.33 116.97 115.68 1yeq h TYR 130 Ca -0.09 0.01 0.05 0.00 0.05 0.00 0.00 58.73 58.76 1yeq h TYR 130 Cb 0.81 -0.19 -0.03 0.00 1.01 0.00 0.00 36.73 38.33 1yeq h TYR 130 CO -0.08 0.34 0.36 1.96 -1.05 0.00 0.00 178.16 179.69 1yeq h GLN 131 N 0.59 0.51 -0.04 4.88 1.08 0.62 0.39 115.11 123.15 1yeq h GLN 131 Ca 0.17 -0.03 -0.19 0.00 -1.45 0.00 0.00 58.65 57.15 1yeq h GLN 131 Cb -0.02 -0.12 0.01 0.00 -0.05 0.00 0.00 27.48 27.30 1yeq h GLN 131 CO -0.04 0.34 -0.74 0.87 -0.95 0.00 0.00 178.83 178.31 1yeq h LYS 132 N 0.53 0.57 -0.40 1.46 1.57 -0.11 -2.63 116.57 117.55 1yeq h LYS 132 Ca 0.23 -0.56 -0.12 0.00 -1.87 0.00 0.00 60.65 58.32 1yeq h LYS 132 Cb 0.23 0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.67 1yeq h LYS 132 CO -0.06 1.18 -0.23 0.28 -0.57 0.00 0.00 179.45 180.05 1yeq h VAL 133 N 0.16 1.28 -0.51 0.50 2.07 -0.37 0.12 116.25 119.50 1yeq h VAL 133 Ca -0.08 -1.39 -0.08 0.00 0.82 0.00 0.00 66.70 65.98 1yeq h VAL 133 Cb 1.41 1.30 -0.02 0.00 -1.52 0.00 0.00 31.29 32.46 1yeq h VAL 133 CO 0.15 0.46 0.01 -0.37 0.02 0.00 0.00 177.57 177.84 1yeq h VAL 134 N 0.68 1.25 -0.05 2.57 -1.51 -0.37 -2.08 116.25 116.74 1yeq h VAL 134 Ca 0.08 -1.03 -0.12 0.00 -1.23 0.00 0.00 66.70 64.40 1yeq h VAL 134 Cb 0.80 0.85 -0.01 0.00 -2.13 0.00 0.00 31.29 30.80 1yeq h VAL 134 CO 0.07 0.37 -0.51 0.00 -1.23 0.00 0.00 177.57 176.27 1yeq h ALA 135 N 1.20 1.06 0.28 5.19 0.00 -1.19 -1.52 119.26 124.29 1yeq h ALA 135 Ca 0.15 -0.47 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1yeq h ALA 135 Cb 0.47 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1yeq h ALA 135 CO 0.02 0.65 -0.14 0.78 0.00 0.00 0.00 179.25 180.57 1yeq h GLY 136 N 1.44 -0.39 0.99 0.00 0.00 -0.38 -2.37 103.07 102.35 1yeq h GLY 136 Ca 0.00 0.15 -0.00 0.00 0.00 0.00 0.00 47.33 47.48 1yeq h GLY 136 CO 0.07 -0.14 -0.02 -2.08 0.00 0.00 0.00 176.54 174.37 1yeq h VAL 137 N -0.54 0.97 -0.69 4.60 2.07 -1.26 -1.34 116.25 120.06 1yeq h VAL 137 Ca -0.04 -0.03 0.07 0.00 0.82 0.00 0.00 66.70 67.52 1yeq h VAL 137 Cb 0.40 0.99 -0.09 0.00 -1.52 0.00 0.00 31.29 31.07 1yeq h VAL 137 CO 0.06 0.01 -0.52 0.00 0.02 0.00 0.00 177.57 177.15 1yeq h ALA 138 N 0.90 -0.58 -0.33 1.67 0.00 -1.23 0.36 119.26 120.05 1yeq h ALA 138 Ca -0.01 0.07 0.07 0.00 0.00 0.00 0.00 54.91 55.04 1yeq h ALA 138 Cb 0.05 1.24 -0.08 0.00 0.00 0.00 0.00 17.79 19.00 1yeq h ALA 138 CO 0.01 -0.90 -0.29 -0.91 0.00 0.00 0.00 179.25 177.15 1yeq h ASN 139 N -0.13 -0.97 -0.79 0.00 2.35 -1.20 -0.43 115.58 114.42 1yeq h ASN 139 Ca 0.11 0.17 0.16 0.00 -0.55 0.00 0.00 56.30 56.20 1yeq h ASN 139 Cb 0.43 0.45 -0.05 0.00 0.05 0.00 0.00 38.32 39.20 1yeq h ASN 139 CO -0.72 -0.31 0.53 0.00 -1.65 0.00 0.00 177.43 175.27 1yeq h ALA 140 N 0.76 2.14 0.00 -0.83 0.00 0.36 0.45 119.26 122.14 1yeq h ALA 140 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1yeq h ALA 140 Cb 0.51 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.25 1yeq h ALA 140 CO -0.48 -0.36 0.00 -0.07 0.00 0.00 0.00 179.25 178.34 1yeq h LEU 141 N 0.41 0.00 0.00 0.00 3.38 0.12 -2.98 115.31 116.25 1yeq h LEU 141 Ca 0.39 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.36 1yeq h LEU 141 Cb 0.92 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.67 1yeq h LEU 141 CO -0.13 0.00 -1.11 0.00 0.09 0.00 0.00 178.44 177.29 1yeq n ALA 142 N -1.92 3.69 -0.29 1.53 0.00 0.14 -4.52 120.51 119.14 1yeq n ALA 142 Ca 0.03 -0.47 0.10 0.00 0.00 0.00 0.00 53.44 53.11 1yeq n ALA 142 Cb 0.38 -0.90 0.26 0.00 0.00 0.00 0.00 19.45 19.19 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 0.00 0.56 -0.43 0.00 -0.00 -0.89 -2.41 115.15 111.99 1yeq h HIS 143 Ca 0.00 0.04 0.00 0.00 -0.00 0.00 0.00 60.37 60.41 1yeq h HIS 143 Cb 0.69 -0.12 0.00 0.00 -0.00 0.00 0.00 27.41 27.98 1yeq h HIS 143 CO 0.00 -0.02 0.00 1.63 -0.00 0.00 0.00 177.93 179.54 1yeq n LYS 144 N -5.05 2.33 -2.38 5.26 4.76 -1.26 -4.93 118.16 116.89 1yeq n LYS 144 Ca 0.19 -1.68 -0.38 0.00 -2.87 0.00 0.00 58.31 53.57 1yeq n LYS 144 Cb 0.56 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 32.23 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 -1.55 3.18 0.00 2.13 1.51 -0.91 -4.70 117.35 117.00 1yeq s TYR 145 Ca 0.31 1.60 0.00 0.00 -1.01 0.00 0.00 57.07 57.96 1yeq s TYR 145 Cb 0.18 -3.31 0.00 0.00 -0.11 0.00 0.00 41.96 38.72 1yeq s TYR 145 CO 0.18 -1.04 0.00 -2.39 -1.11 0.00 0.00 175.55 171.19