#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yeq s LEU 2 N 0.00 4.43 0.48 7.52 1.43 -1.26 -5.08 118.68 126.21 1yeq s LEU 2 Ca 0.00 1.17 0.02 0.00 -1.03 0.00 0.00 54.13 54.29 1yeq s LEU 2 Cb 0.00 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.32 1yeq s LEU 2 CO 0.00 0.13 0.69 -0.94 0.23 0.00 0.00 176.35 176.46 1yeq s SER 3 N -0.32 5.60 0.38 2.29 1.04 -1.26 -4.95 113.70 116.48 1yeq s SER 3 Ca 0.31 0.07 0.09 0.00 0.48 0.00 0.00 55.95 56.90 1yeq s SER 3 Cb -0.18 -1.17 0.77 0.00 0.10 0.00 0.00 66.02 65.54 1yeq s SER 3 CO 0.17 -0.87 1.92 -0.65 0.98 0.00 0.00 173.24 174.79 1yeq h PRO 4 N 0.32 0.28 -0.26 4.02 0.11 -1.99 -1.82 132.00 132.66 1yeq h PRO 4 Ca -0.44 -0.06 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 1yeq h PRO 4 Cb 1.27 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.34 1yeq h PRO 4 CO 0.54 0.39 -0.30 0.00 -0.21 0.00 0.00 178.00 178.42 1yeq h ALA 5 N 1.64 0.38 0.02 -0.75 0.00 -1.99 -1.93 119.26 116.64 1yeq h ALA 5 Ca 0.06 -0.41 0.01 0.00 0.00 0.00 0.00 54.91 54.57 1yeq h ALA 5 Cb 0.34 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 1yeq h ALA 5 CO 0.02 0.41 -0.08 -0.44 0.00 0.00 0.00 179.25 179.15 1yeq h ASP 6 N 0.38 -0.24 -0.45 0.00 3.32 -1.87 0.16 116.42 117.72 1yeq h ASP 6 Ca 0.03 0.03 0.09 0.00 0.02 0.00 0.00 57.03 57.21 1yeq h ASP 6 Cb 0.88 0.10 -0.08 0.00 0.22 0.00 0.00 39.33 40.45 1yeq h ASP 6 CO 0.07 -0.12 -0.06 0.11 -1.72 0.00 0.00 179.24 177.51 1yeq h LYS 7 N -0.16 0.04 -0.54 3.56 1.57 -1.31 0.56 116.57 120.30 1yeq h LYS 7 Ca 0.03 -0.00 0.09 0.00 -1.87 0.00 0.00 60.65 58.89 1yeq h LYS 7 Cb 0.19 -0.01 -0.07 0.00 0.08 0.00 0.00 32.23 32.42 1yeq h LYS 7 CO -0.07 0.03 0.16 1.15 -0.57 0.00 0.00 179.45 180.14 1yeq h THR 8 N 0.04 0.75 -0.32 -0.16 2.02 -0.91 -0.34 112.91 114.00 1yeq h THR 8 Ca 0.22 -0.11 -0.05 0.00 0.77 0.00 0.00 66.41 67.24 1yeq h THR 8 Cb 0.33 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1yeq h THR 8 CO -0.42 0.06 -0.01 0.78 0.37 0.00 0.00 175.52 176.30 1yeq h ASN 9 N 0.31 0.56 -0.41 4.18 2.35 0.11 -2.35 115.58 120.34 1yeq h ASN 9 Ca 0.27 -0.31 0.07 0.00 -0.55 0.00 0.00 56.30 55.78 1yeq h ASN 9 Cb 0.34 -0.15 -0.07 0.00 0.05 0.00 0.00 38.32 38.49 1yeq h ASN 9 CO -0.31 0.74 0.01 0.58 -1.65 0.00 0.00 177.43 176.80 1yeq h VAL 10 N 0.37 0.70 -0.30 2.81 2.07 0.74 -1.68 116.25 120.97 1yeq h VAL 10 Ca 0.09 -0.04 0.03 0.00 0.82 0.00 0.00 66.70 67.60 1yeq h VAL 10 Cb 0.45 0.57 -0.03 0.00 -1.52 0.00 0.00 31.29 30.77 1yeq h VAL 10 CO 0.02 0.02 0.13 0.11 0.02 0.00 0.00 177.57 177.87 1yeq h LYS 11 N 0.11 0.27 -0.09 1.57 1.57 -0.90 -2.07 116.57 117.03 1yeq h LYS 11 Ca 0.20 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.96 1yeq h LYS 11 Cb 0.28 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.53 1yeq h LYS 11 CO -0.33 0.18 0.03 0.00 -0.57 0.00 0.00 179.45 178.75 1yeq h ALA 12 N 1.17 0.12 0.71 3.86 0.00 -1.04 -0.21 119.26 123.86 1yeq h ALA 12 Ca 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 1yeq h ALA 12 Cb 0.07 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 1yeq h ALA 12 CO -0.11 -0.28 -0.50 0.00 0.00 0.00 0.00 179.25 178.37 1yeq h ALA 13 N 0.84 -1.24 -0.26 0.00 0.00 -1.27 -2.08 119.26 115.25 1yeq h ALA 13 Ca 0.03 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.78 1yeq h ALA 13 Cb 0.21 0.65 -0.01 0.00 0.00 0.00 0.00 17.79 18.64 1yeq h ALA 13 CO -0.00 -1.22 0.20 2.35 0.00 0.00 0.00 179.25 180.58 1yeq h TRP 14 N -1.15 0.00 -0.39 0.00 2.91 -1.38 0.27 115.95 116.20 1yeq h TRP 14 Ca -0.09 0.00 -0.05 0.00 1.13 0.00 0.00 58.89 59.87 1yeq h TRP 14 Cb 0.94 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.57 1yeq h TRP 14 CO -0.15 0.00 0.03 0.78 -1.03 0.00 0.00 178.44 178.07 1yeq h GLY 15 N 0.00 0.65 1.49 2.65 0.00 -0.41 -2.45 103.07 105.00 1yeq h GLY 15 Ca 0.12 -0.38 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1yeq h GLY 15 CO -0.00 0.36 -0.72 0.50 0.00 0.00 0.00 176.54 176.68 1yeq h LYS 16 N 0.58 0.51 -0.75 4.80 1.79 0.17 -2.96 116.57 120.71 1yeq h LYS 16 Ca 0.13 -0.40 0.16 0.00 -2.18 0.00 0.00 60.65 58.35 1yeq h LYS 16 Cb 0.33 0.08 -0.11 0.00 -1.58 0.00 0.00 32.23 30.95 1yeq h LYS 16 CO 0.01 1.03 0.22 0.28 -1.08 0.00 0.00 179.45 179.91 1yeq h VAL 17 N 0.35 0.55 0.00 0.50 2.07 -0.95 -3.44 116.25 115.33 1yeq h VAL 17 Ca -0.03 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.38 1yeq h VAL 17 Cb 1.31 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.28 1yeq h VAL 17 CO 0.13 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.39 1yeq n GLY 18 N -1.34 3.63 0.78 2.17 0.00 -1.11 -0.97 105.19 108.34 1yeq n GLY 18 Ca 0.15 0.19 0.06 0.00 0.00 0.00 0.00 46.02 46.42 1yeq n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yeq n ALA 19 N 11.89 2.55 0.41 4.61 0.00 -1.26 -3.32 120.51 135.38 1yeq n ALA 19 Ca 0.00 -0.72 0.09 0.00 0.00 0.00 0.00 53.44 52.81 1yeq n ALA 19 Cb 0.00 -0.98 0.25 0.00 0.00 0.00 0.00 19.45 18.72 1yeq n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeq n HIS 20 N 0.59 0.63 0.01 0.00 8.25 -0.15 -4.65 115.22 119.90 1yeq n HIS 20 Ca 0.13 -0.31 -0.04 0.00 -0.26 0.00 0.00 57.72 57.24 1yeq n HIS 20 Cb 0.38 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.46 1yeq n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yeq h ALA 21 N 4.07 -0.61 -0.96 -1.41 0.00 -1.70 -0.97 119.26 117.67 1yeq h ALA 21 Ca 0.00 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yeq h ALA 21 Cb 0.73 0.64 -0.05 0.00 0.00 0.00 0.00 17.79 19.10 1yeq h ALA 21 CO 0.00 -0.66 0.64 0.78 0.00 0.00 0.00 179.25 180.01 1yeq h GLY 22 N -0.18 1.37 1.16 0.00 0.00 -1.85 0.07 103.07 103.63 1yeq h GLY 22 Ca 0.00 -0.50 0.07 0.00 0.00 0.00 0.00 47.33 46.90 1yeq h GLY 22 CO -0.10 0.48 0.40 0.83 0.00 0.00 0.00 176.54 178.15 1yeq h GLU 23 N 1.29 0.54 0.09 4.80 5.08 -1.83 0.12 114.58 124.67 1yeq h GLU 23 Ca 0.36 -0.03 -0.28 0.00 -1.00 0.00 0.00 59.36 58.41 1yeq h GLU 23 Cb -0.12 -0.12 0.03 0.00 0.50 0.00 0.00 28.75 29.03 1yeq h GLU 23 CO -0.09 0.36 -1.14 1.88 -1.00 0.00 0.00 179.01 179.02 1yeq h TYR 24 N 0.55 0.97 -0.71 4.33 0.05 0.24 -2.81 116.97 119.59 1yeq h TYR 24 Ca 0.26 -0.60 0.08 0.00 0.05 0.00 0.00 58.73 58.53 1yeq h TYR 24 Cb 0.32 -0.09 -0.06 0.00 1.01 0.00 0.00 36.73 37.91 1yeq h TYR 24 CO -0.00 1.44 0.38 0.78 -1.05 0.00 0.00 178.16 179.71 1yeq h GLY 25 N 0.24 1.06 0.86 3.88 0.00 -0.06 0.34 103.07 109.38 1yeq h GLY 25 Ca -0.17 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 46.90 1yeq h GLY 25 CO 0.22 0.11 -0.07 0.00 0.00 0.00 0.00 176.54 176.80 1yeq h ALA 26 N 1.40 -0.19 -0.63 3.60 0.00 -0.83 -1.91 119.26 120.69 1yeq h ALA 26 Ca 0.34 -0.10 0.11 0.00 0.00 0.00 0.00 54.91 55.25 1yeq h ALA 26 Cb 0.29 0.07 -0.08 0.00 0.00 0.00 0.00 17.79 18.07 1yeq h ALA 26 CO -0.23 -0.54 0.21 1.49 0.00 0.00 0.00 179.25 180.19 1yeq h GLU 27 N -0.34 0.36 -0.06 0.00 4.81 -1.17 0.21 114.58 118.39 1yeq h GLU 27 Ca -0.02 -0.02 0.03 0.00 -0.13 0.00 0.00 59.36 59.22 1yeq h GLU 27 Cb 0.27 -0.08 -0.04 0.00 0.63 0.00 0.00 28.75 29.53 1yeq h GLU 27 CO 0.03 0.24 -0.15 0.00 -0.73 0.00 0.00 179.01 178.40 1yeq h ALA 28 N 1.45 -0.13 -0.34 2.92 0.00 -0.77 0.62 119.26 123.01 1yeq h ALA 28 Ca 0.33 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.30 1yeq h ALA 28 Cb 0.44 0.28 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1yeq h ALA 28 CO -0.35 -0.62 0.13 -0.07 0.00 0.00 0.00 179.25 178.34 1yeq h LEU 29 N -0.22 0.15 -0.47 0.00 3.38 -0.45 0.28 115.31 117.98 1yeq h LEU 29 Ca 0.07 0.03 -0.03 0.00 0.09 0.00 0.00 57.88 58.05 1yeq h LEU 29 Cb 0.31 0.02 -0.02 0.00 0.09 0.00 0.00 40.66 41.06 1yeq h LEU 29 CO -0.19 0.12 0.19 -0.08 0.09 0.00 0.00 178.44 178.57 1yeq h GLU 30 N 0.28 0.71 -0.76 1.13 4.81 -0.70 0.76 114.58 120.80 1yeq h GLU 30 Ca 0.15 -0.13 0.10 0.00 -0.13 0.00 0.00 59.36 59.36 1yeq h GLU 30 Cb 0.12 -0.11 -0.08 0.00 0.63 0.00 0.00 28.75 29.31 1yeq h GLU 30 CO -0.15 0.64 0.39 0.00 -0.73 0.00 0.00 179.01 179.16 1yeq h ARG 31 N 0.62 0.62 -0.40 1.92 3.08 0.11 -1.25 114.38 119.08 1yeq h ARG 31 Ca 0.16 -0.04 -0.12 0.00 0.07 0.00 0.00 59.98 60.05 1yeq h ARG 31 Cb 0.19 -0.14 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 1yeq h ARG 31 CO -0.01 0.41 -0.22 1.98 -1.07 0.00 0.00 179.97 181.05 1yeq h MET 32 N 0.64 0.86 -0.03 0.04 4.05 0.06 -1.98 114.93 118.56 1yeq h MET 32 Ca 0.38 -0.39 -0.07 0.00 -0.28 0.00 0.00 59.70 59.35 1yeq h MET 32 Cb 0.42 -0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 31.20 1yeq h MET 32 CO -0.29 1.03 -0.30 0.74 0.23 0.00 0.00 176.91 178.33 1yeq h PHE 33 N 0.67 0.05 0.10 1.39 0.04 -0.26 -0.86 116.94 118.08 1yeq h PHE 33 Ca 0.09 -0.01 -0.32 0.00 2.80 0.00 0.00 57.97 60.53 1yeq h PHE 33 Cb 0.79 -0.01 -0.02 0.00 2.20 0.00 0.00 35.95 38.91 1yeq h PHE 33 CO 0.06 0.34 -1.67 -0.07 -0.60 0.00 0.00 178.31 176.37 1yeq h LEU 34 N 0.04 0.34 0.00 1.54 3.38 -1.18 -3.36 115.31 116.07 1yeq h LEU 34 Ca 0.00 -0.56 -0.23 0.00 0.09 0.00 0.00 57.88 57.19 1yeq h LEU 34 Cb 0.55 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.16 1yeq h LEU 34 CO 0.04 1.48 -1.14 0.28 0.09 0.00 0.00 178.44 179.20 1yeq h SER 35 N 0.06 0.00 -2.51 -0.43 0.02 -1.24 -3.39 113.55 106.06 1yeq h SER 35 Ca -0.29 -0.00 -0.60 0.00 -0.84 0.00 0.00 61.79 60.06 1yeq h SER 35 Cb 2.02 -0.00 -0.39 0.00 0.14 0.00 0.00 62.40 64.17 1yeq h SER 35 CO 0.13 1.00 -0.89 -0.36 -1.14 0.00 0.00 176.83 175.57 1yeq s PHE 36 N -2.69 1.61 0.65 3.45 0.08 -0.34 -5.00 117.98 115.74 1yeq s PHE 36 Ca -0.00 -2.54 0.32 0.00 0.12 0.00 0.00 56.93 54.82 1yeq s PHE 36 Cb 0.10 -1.29 1.73 0.00 -0.57 0.00 0.00 43.02 42.99 1yeq s PHE 36 CO 0.82 -0.77 2.01 -1.35 -0.10 0.00 0.00 175.22 175.83 1yeq h PRO 37 N 5.58 0.00 0.00 0.24 0.11 -1.77 -1.19 132.00 134.96 1yeq h PRO 37 Ca 0.24 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.35 1yeq h PRO 37 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1yeq h PRO 37 CO 0.44 0.00 0.00 0.25 -0.21 0.00 0.00 178.00 178.48 1yeq n THR 38 N -3.16 0.84 0.97 -1.15 -2.24 -1.26 -2.14 114.28 106.15 1yeq n THR 38 Ca -0.00 0.22 0.13 0.00 -2.27 0.00 0.00 64.05 62.13 1yeq n THR 38 Cb 0.37 -1.12 0.60 0.00 -2.10 0.00 0.00 70.33 68.07 1yeq n THR 38 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1yeq n THR 39 N -2.15 0.11 0.29 4.28 -2.24 -0.45 -3.12 114.28 111.00 1yeq n THR 39 Ca 0.02 0.03 0.18 0.00 -2.27 0.00 0.00 64.05 62.01 1yeq n THR 39 Cb 0.23 -0.55 0.80 0.00 -2.10 0.00 0.00 70.33 68.70 1yeq n THR 39 CO 0.00 0.00 0.00 0.11 -0.57 0.00 0.00 175.07 174.61 1yeq h LYS 40 N 0.00 0.00 0.00 -0.78 1.57 -1.65 -2.91 116.57 112.80 1yeq h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1yeq h LYS 40 Cb 0.46 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.77 1yeq h LYS 40 CO 0.00 0.03 0.00 0.25 -0.57 0.00 0.00 179.45 179.16 1yeq n THR 41 N -3.17 0.98 0.44 -0.16 -2.24 -1.18 -0.76 114.28 108.20 1yeq n THR 41 Ca -0.01 0.46 0.12 0.00 -2.27 0.00 0.00 64.05 62.35 1yeq n THR 41 Cb 0.25 -1.41 0.08 0.00 -2.10 0.00 0.00 70.33 67.15 1yeq n THR 41 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 1yeq n TYR 42 N -2.18 0.56 -2.45 4.78 4.01 -1.10 -4.24 117.16 116.54 1yeq n TYR 42 Ca 0.01 0.16 -0.30 0.00 -0.16 0.00 0.00 57.90 57.61 1yeq n TYR 42 Cb 0.13 -0.67 0.00 0.00 -0.31 0.00 0.00 39.34 38.50 1yeq n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1yeq n PHE 43 N -2.21 3.41 0.31 -0.72 3.01 0.06 -4.84 117.46 116.48 1yeq n PHE 43 Ca 0.02 -3.08 0.20 0.00 1.01 0.00 0.00 57.45 55.60 1yeq n PHE 43 Cb 0.47 -0.37 0.98 0.00 -0.01 0.00 0.00 39.48 40.55 1yeq n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1yeq h PRO 44 N 2.76 0.00 -0.50 -1.08 0.13 -1.73 -2.30 132.00 129.28 1yeq h PRO 44 Ca 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.46 1yeq h PRO 44 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1yeq h PRO 44 CO 0.96 0.00 0.00 -2.39 -0.23 0.00 0.00 178.00 176.34 1yeq n HIS 45 N -3.00 0.67 -4.02 1.56 1.44 -1.26 -4.96 115.22 105.64 1yeq n HIS 45 Ca -0.01 -0.33 -0.36 0.00 -2.01 0.00 0.00 57.72 55.00 1yeq n HIS 45 Cb 0.15 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.20 1yeq n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1yeq s PHE 46 N -1.33 3.47 -0.43 -1.40 0.40 -0.87 -5.03 117.98 112.79 1yeq s PHE 46 Ca 0.39 0.42 -0.29 0.00 -0.60 0.00 0.00 56.93 56.86 1yeq s PHE 46 Cb 0.21 -1.89 0.01 0.00 0.51 0.00 0.00 43.02 41.87 1yeq s PHE 46 CO 0.28 0.66 1.36 0.34 0.70 0.00 0.00 175.22 178.56 1yeq s ASP 47 N -1.04 6.39 0.00 1.36 -1.08 -1.26 -4.85 116.67 116.18 1yeq s ASP 47 Ca 0.15 0.75 0.22 0.00 -0.52 0.00 0.00 52.55 53.16 1yeq s ASP 47 Cb -0.12 -2.54 0.51 0.00 -1.46 0.00 0.00 42.92 39.31 1yeq s ASP 47 CO 0.04 -1.40 1.44 0.18 0.52 0.00 0.00 175.17 175.95 1yeq n LEU 48 N 8.64 3.04 -4.55 -1.34 4.77 -1.26 -4.54 117.00 121.77 1yeq n LEU 48 Ca 0.16 -1.33 -0.30 0.00 -0.03 0.00 0.00 56.01 54.51 1yeq n LEU 48 Cb 0.48 -0.24 0.21 0.00 -2.33 0.00 0.00 43.42 41.54 1yeq n LEU 48 CO 0.71 0.67 0.53 -1.54 -1.33 0.00 0.00 177.39 176.42 1yeq n SER 49 N 1.21 -0.87 -4.58 -1.43 3.41 -1.26 -4.90 113.62 105.20 1yeq n SER 49 Ca 0.19 0.10 -0.40 0.00 -0.26 0.00 0.00 58.87 58.50 1yeq n SER 49 Cb 0.53 -1.35 0.03 0.00 -0.26 0.00 0.00 64.21 63.17 1yeq n SER 49 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 1yeq n HIS 50 N -4.63 0.63 -2.89 7.33 -0.00 -1.26 -3.50 115.22 110.90 1yeq n HIS 50 Ca 0.07 0.50 -0.14 0.00 0.46 0.00 0.00 57.72 58.61 1yeq n HIS 50 Cb 0.53 -2.14 0.01 0.00 -0.12 0.00 0.00 29.99 28.27 1yeq n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1yeq n GLY 51 N 1.36 -0.44 3.55 1.57 0.00 -1.26 -4.92 105.19 105.04 1yeq n GLY 51 Ca 0.11 0.38 -0.25 0.00 0.00 0.00 0.00 46.02 46.26 1yeq n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1yeq s SER 52 N -1.99 4.05 0.13 1.61 1.04 -1.23 -5.02 113.70 112.28 1yeq s SER 52 Ca 0.05 -0.77 -0.22 0.00 0.48 0.00 0.00 55.95 55.50 1yeq s SER 52 Cb -0.01 -0.58 -0.04 0.00 0.10 0.00 0.00 66.02 65.50 1yeq s SER 52 CO 0.44 0.05 1.68 0.00 0.98 0.00 0.00 173.24 176.40 1yeq h ALA 53 N 2.42 -0.01 0.34 5.32 0.00 -1.91 -0.91 119.26 124.50 1yeq h ALA 53 Ca -0.44 0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.52 1yeq h ALA 53 Cb 1.24 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.23 1yeq h ALA 53 CO 0.57 -0.56 -0.40 1.96 0.00 0.00 0.00 179.25 180.82 1yeq h GLN 54 N -0.13 -0.75 0.23 0.00 4.20 -1.97 -0.85 115.11 115.83 1yeq h GLN 54 Ca 0.08 0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.85 1yeq h GLN 54 Cb 0.25 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1yeq h GLN 54 CO -0.20 -0.50 -0.32 0.28 -0.67 0.00 0.00 178.83 177.42 1yeq h VAL 55 N -0.78 0.34 -0.66 -0.54 2.07 -1.76 0.33 116.25 115.24 1yeq h VAL 55 Ca -0.02 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.57 1yeq h VAL 55 Cb 0.72 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.73 1yeq h VAL 55 CO -0.10 0.00 -0.56 0.11 0.02 0.00 0.00 177.57 177.03 1yeq h LYS 56 N -0.61 -0.22 0.00 1.57 1.57 -1.04 1.05 116.57 118.89 1yeq h LYS 56 Ca 0.00 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1yeq h LYS 56 Cb 0.59 0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.94 1yeq h LYS 56 CO -0.11 -0.15 -0.25 0.78 -0.57 0.00 0.00 179.45 179.15 1yeq h GLY 57 N -0.23 0.00 1.41 3.86 0.00 -0.86 -1.32 103.07 105.94 1yeq h GLY 57 Ca 0.12 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.18 1yeq h GLY 57 CO -0.74 0.00 -1.13 0.84 0.00 0.00 0.00 176.54 175.50 1yeq h HIS 58 N 0.00 0.79 -0.56 5.60 -0.00 0.95 -2.34 115.15 119.60 1yeq h HIS 58 Ca -0.00 -0.49 0.10 0.00 -0.00 0.00 0.00 60.37 59.98 1yeq h HIS 58 Cb 0.60 -0.07 -0.08 0.00 -0.00 0.00 0.00 27.41 27.86 1yeq h HIS 58 CO 0.00 1.33 0.13 0.78 -0.00 0.00 0.00 177.93 180.17 1yeq h GLY 59 N 0.85 0.71 0.99 5.26 0.00 0.18 0.66 103.07 111.72 1yeq h GLY 59 Ca -0.14 -0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.13 1yeq h GLY 59 CO 0.21 -0.08 -0.17 1.70 0.00 0.00 0.00 176.54 178.19 1yeq h LYS 60 N 0.27 -0.47 -0.46 4.80 3.64 -1.23 0.12 116.57 123.24 1yeq h LYS 60 Ca 0.28 0.03 0.09 0.00 -1.27 0.00 0.00 60.65 59.79 1yeq h LYS 60 Cb 0.39 0.11 -0.09 0.00 -0.41 0.00 0.00 32.23 32.23 1yeq h LYS 60 CO -0.35 -0.30 -0.19 0.87 -2.27 0.00 0.00 179.45 177.21 1yeq h LYS 61 N -0.50 -0.09 -0.63 1.90 1.57 -0.70 -0.92 116.57 117.20 1yeq h LYS 61 Ca -0.05 0.01 0.03 0.00 -1.87 0.00 0.00 60.65 58.77 1yeq h LYS 61 Cb 0.38 0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.67 1yeq h LYS 61 CO 0.08 -0.06 0.39 0.28 -0.57 0.00 0.00 179.45 179.57 1yeq h VAL 62 N -0.09 1.07 -0.71 0.50 2.07 0.62 -2.77 116.25 116.94 1yeq h VAL 62 Ca 0.22 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1yeq h VAL 62 Cb 0.43 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 1yeq h VAL 62 CO -0.52 0.14 0.38 0.00 0.02 0.00 0.00 177.57 177.59 1yeq h ALA 63 N 1.28 0.91 0.00 1.67 0.00 0.45 -2.67 119.26 120.91 1yeq h ALA 63 Ca 0.25 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.99 1yeq h ALA 63 Cb 0.03 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1yeq h ALA 63 CO -0.11 0.43 -0.27 -0.44 0.00 0.00 0.00 179.25 178.86 1yeq h ASP 64 N 0.98 0.00 0.27 0.00 5.19 -0.98 -1.29 116.42 120.59 1yeq h ASP 64 Ca 0.25 0.00 -0.13 0.00 -0.62 0.00 0.00 57.03 56.53 1yeq h ASP 64 Cb 0.05 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 39.55 1yeq h ASP 64 CO -0.04 0.27 -0.50 0.00 -3.12 0.00 0.00 179.24 175.85 1yeq h ALA 65 N 1.73 0.96 0.06 3.45 0.00 -1.21 -1.38 119.26 122.86 1yeq h ALA 65 Ca -0.00 -0.48 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1yeq h ALA 65 Cb 0.57 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1yeq h ALA 65 CO 0.04 0.66 -0.03 -0.07 0.00 0.00 0.00 179.25 179.85 1yeq h LEU 66 N 0.21 -0.07 -0.33 0.00 3.38 -1.24 -2.60 115.31 114.66 1yeq h LEU 66 Ca 0.01 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.64 1yeq h LEU 66 Cb 0.96 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 41.66 1yeq h LEU 66 CO 0.08 0.35 -0.52 0.74 0.09 0.00 0.00 178.44 179.19 1yeq h THR 67 N -0.50 0.00 -1.00 0.22 2.02 -1.07 0.63 112.91 113.21 1yeq h THR 67 Ca -0.01 0.00 0.25 0.00 0.77 0.00 0.00 66.41 67.42 1yeq h THR 67 Cb 0.44 0.00 -0.08 0.00 -1.74 0.00 0.00 68.15 66.77 1yeq h THR 67 CO 0.01 0.00 0.65 -1.13 0.37 0.00 0.00 175.52 175.43 1yeq h ASN 68 N -0.40 0.42 -0.49 4.18 -1.24 -1.29 0.21 115.58 116.97 1yeq h ASN 68 Ca 0.06 0.07 -0.13 0.00 0.71 0.00 0.00 56.30 57.01 1yeq h ASN 68 Cb 0.57 -0.01 -0.01 0.00 0.73 0.00 0.00 38.32 39.60 1yeq h ASN 68 CO -0.53 0.12 -0.19 0.00 -1.29 0.00 0.00 177.43 175.54 1yeq h ALA 69 N 1.61 0.68 -0.08 1.57 0.00 -0.52 -1.71 119.26 120.80 1yeq h ALA 69 Ca 0.55 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 1yeq h ALA 69 Cb 1.41 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 19.03 1yeq h ALA 69 CO -0.24 0.65 0.03 0.28 0.00 0.00 0.00 179.25 179.96 1yeq h VAL 70 N 0.84 1.16 -0.02 0.00 2.07 0.63 0.15 116.25 121.07 1yeq h VAL 70 Ca 0.12 -0.47 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1yeq h VAL 70 Cb 0.76 1.32 -0.00 0.00 -1.52 0.00 0.00 31.29 31.85 1yeq h VAL 70 CO 0.06 0.14 0.04 0.00 0.02 0.00 0.00 177.57 177.83 1yeq h ALA 71 N 0.85 1.33 -0.74 1.67 0.00 -1.19 -1.66 119.26 119.52 1yeq h ALA 71 Ca 0.03 -0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.43 1yeq h ALA 71 Cb 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 17.79 17.55 1yeq h ALA 71 CO -0.00 -0.05 -0.86 0.72 0.00 0.00 0.00 179.25 179.06 1yeq n HIS 72 N -3.48 2.57 -0.27 0.00 8.25 -0.65 -4.85 115.22 116.80 1yeq n HIS 72 Ca -0.02 -2.25 0.12 0.00 -0.26 0.00 0.00 57.72 55.31 1yeq n HIS 72 Cb 0.12 -0.32 0.38 0.00 1.12 0.00 0.00 29.99 31.29 1yeq n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1yeq h VAL 73 N 2.64 0.83 -0.00 1.59 3.04 0.27 0.28 116.25 124.90 1yeq h VAL 73 Ca 0.30 -0.24 0.00 0.00 -1.01 0.00 0.00 66.70 65.75 1yeq h VAL 73 Cb 1.48 0.09 0.00 0.00 -2.01 0.00 0.00 31.29 30.85 1yeq h VAL 73 CO 0.69 0.13 0.00 0.47 -1.01 0.00 0.00 177.57 177.84 1yeq n ASP 74 N -4.56 0.13 -1.19 3.17 8.00 -1.26 -3.99 116.55 116.85 1yeq n ASP 74 Ca 0.17 -1.10 0.02 0.00 0.71 0.00 0.00 54.79 54.60 1yeq n ASP 74 Cb 0.47 -0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.58 1yeq n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1yeq n ASP 75 N -0.87 0.55 -0.15 -2.24 2.03 0.05 -4.99 116.55 110.93 1yeq n ASP 75 Ca 0.22 -1.97 -0.05 0.00 0.52 0.00 0.00 54.79 53.52 1yeq n ASP 75 Cb 0.13 -0.21 0.01 0.00 -0.72 0.00 0.00 41.12 40.33 1yeq n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1yeq h MET 76 N 0.65 -0.14 -0.75 -0.67 2.86 -1.58 -2.30 114.93 113.00 1yeq h MET 76 Ca -0.20 0.01 0.16 0.00 -2.06 0.00 0.00 59.70 57.60 1yeq h MET 76 Cb 1.71 0.03 -0.10 0.00 0.06 0.00 0.00 31.60 33.30 1yeq h MET 76 CO 0.04 -0.09 0.25 -1.35 1.06 0.00 0.00 176.91 176.81 1yeq h PRO 77 N -0.14 0.35 0.00 -0.22 0.11 -1.94 0.11 132.00 130.27 1yeq h PRO 77 Ca 0.22 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.24 1yeq h PRO 77 Cb 0.48 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 31.51 1yeq h PRO 77 CO -0.55 0.23 -0.30 -0.91 -0.21 0.00 0.00 178.00 176.25 1yeq h ASN 78 N 0.36 0.00 0.73 -2.05 4.21 -1.84 -1.85 115.58 115.14 1yeq h ASN 78 Ca 0.42 0.00 -0.24 0.00 1.21 0.00 0.00 56.30 57.69 1yeq h ASN 78 Cb 0.70 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.86 1yeq h ASN 78 CO -0.46 0.30 -1.38 0.00 -1.29 0.00 0.00 177.43 174.60 1yeq h ALA 79 N 1.70 0.61 -0.01 -0.83 0.00 -0.82 -3.31 119.26 116.60 1yeq h ALA 79 Ca -0.00 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 53.73 1yeq h ALA 79 Cb 1.08 0.22 0.00 0.00 0.00 0.00 0.00 17.79 19.09 1yeq h ALA 79 CO 0.04 1.38 -0.53 1.28 0.00 0.00 0.00 179.25 181.41 1yeq n LEU 80 N -3.15 1.57 -0.06 0.00 4.77 0.29 -4.64 117.00 115.78 1yeq n LEU 80 Ca -0.09 -0.58 -0.01 0.00 -0.03 0.00 0.00 56.01 55.30 1yeq n LEU 80 Cb 0.98 -0.04 -0.01 0.00 -2.33 0.00 0.00 43.42 42.03 1yeq n LEU 80 CO 0.45 0.31 0.07 -1.54 -1.33 0.00 0.00 177.39 175.35 1yeq n SER 81 N -0.49 -0.14 0.23 -1.43 3.41 -0.70 0.15 113.62 114.66 1yeq n SER 81 Ca 0.09 0.25 -0.15 0.00 -0.26 0.00 0.00 58.87 58.79 1yeq n SER 81 Cb 0.41 -0.04 -0.08 0.00 -0.26 0.00 0.00 64.21 64.25 1yeq n SER 81 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1yeq h ALA 82 N 0.10 -0.60 -0.89 7.33 0.00 -1.87 -2.07 119.26 121.26 1yeq h ALA 82 Ca 0.03 -0.11 0.18 0.00 0.00 0.00 0.00 54.91 55.00 1yeq h ALA 82 Cb 0.06 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 1yeq h ALA 82 CO -0.13 -0.85 0.58 -0.07 0.00 0.00 0.00 179.25 178.78 1yeq h LEU 83 N -0.60 0.49 -0.15 0.00 3.38 0.10 -0.44 115.31 118.08 1yeq h LEU 83 Ca -0.04 0.04 -0.23 0.00 0.09 0.00 0.00 57.88 57.75 1yeq h LEU 83 Cb 0.50 -0.05 0.01 0.00 0.09 0.00 0.00 40.66 41.21 1yeq h LEU 83 CO 0.04 0.21 -0.80 0.77 0.09 0.00 0.00 178.44 178.76 1yeq h SER 84 N 0.50 0.95 -0.68 -0.43 4.64 -1.10 -1.42 113.55 116.01 1yeq h SER 84 Ca 0.46 -0.63 0.03 0.00 -0.47 0.00 0.00 61.79 61.18 1yeq h SER 84 Cb 1.00 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 62.78 1yeq h SER 84 CO -0.19 1.43 0.45 0.44 -0.87 0.00 0.00 176.83 178.09 1yeq h ASP 85 N 0.54 0.72 0.34 4.97 5.19 -0.45 -1.09 116.42 126.63 1yeq h ASP 85 Ca -0.06 -0.01 -0.02 0.00 -0.62 0.00 0.00 57.03 56.33 1yeq h ASP 85 Cb 1.43 -0.17 0.00 0.00 0.18 0.00 0.00 39.33 40.77 1yeq h ASP 85 CO 0.16 0.50 -0.16 0.25 -3.12 0.00 0.00 179.24 176.87 1yeq h LEU 86 N 0.83 -0.38 -1.16 1.55 5.85 -0.85 -2.17 115.31 118.98 1yeq h LEU 86 Ca 0.27 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.83 1yeq h LEU 86 Cb 0.05 0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.17 1yeq h LEU 86 CO -0.07 0.07 -0.09 0.45 -0.34 0.00 0.00 178.44 178.46 1yeq h HIS 87 N -0.99 0.00 0.06 1.25 3.86 -1.27 -0.30 115.15 117.76 1yeq h HIS 87 Ca -0.05 0.00 -0.38 0.00 -1.16 0.00 0.00 60.37 58.79 1yeq h HIS 87 Cb 0.50 0.00 -0.04 0.00 1.06 0.00 0.00 27.41 28.92 1yeq h HIS 87 CO 0.03 0.09 -2.25 0.00 0.86 0.00 0.00 177.93 176.66 1yeq n ALA 88 N -2.14 1.18 -0.11 2.45 0.00 -0.42 -1.17 120.51 120.30 1yeq n ALA 88 Ca 0.01 -0.86 -0.14 0.00 0.00 0.00 0.00 53.44 52.45 1yeq n ALA 88 Cb 0.38 -0.38 -0.13 0.00 0.00 0.00 0.00 19.45 19.33 1yeq n ALA 88 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeq n HIS 89 N -3.36 0.00 0.00 0.00 8.25 -0.82 -4.25 115.22 115.04 1yeq n HIS 89 Ca -0.39 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.07 1yeq n HIS 89 Cb 1.02 -0.93 0.00 0.00 1.12 0.00 0.00 29.99 31.20 1yeq n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1yeq n LYS 90 N -3.02 0.00 -0.10 -0.41 4.81 -1.04 -4.60 118.16 113.80 1yeq n LYS 90 Ca -0.38 0.21 -0.09 0.00 -0.87 0.00 0.00 58.31 57.17 1yeq n LYS 90 Cb 1.02 -0.70 -0.02 0.00 0.02 0.00 0.00 35.03 35.35 1yeq n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yeq h LEU 91 N 0.00 0.41 -2.37 3.14 3.38 -1.26 -3.48 115.31 115.12 1yeq h LEU 91 Ca 0.00 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1yeq h LEU 91 Cb 0.00 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1yeq h LEU 91 CO 0.00 0.37 -0.12 0.54 0.09 0.00 0.00 178.44 179.32 1yeq n ARG 92 N -4.80 -1.53 -3.67 1.13 1.74 -0.32 -5.00 116.66 104.21 1yeq n ARG 92 Ca -0.01 1.62 -0.36 0.00 -0.77 0.00 0.00 57.85 58.33 1yeq n ARG 92 Cb 0.07 -5.60 -0.08 0.00 -1.02 0.00 0.00 32.46 25.84 1yeq n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1yeq s VAL 93 N -2.89 5.38 0.04 1.55 1.01 -0.73 -5.02 120.40 119.74 1yeq s VAL 93 Ca 0.06 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.06 1yeq s VAL 93 Cb -0.02 -3.52 -0.08 0.00 0.00 0.00 0.00 36.38 32.76 1yeq s VAL 93 CO 0.73 0.44 1.67 -0.62 0.00 0.00 0.00 175.10 177.31 1yeq s ASP 94 N 0.29 6.62 0.54 3.32 -1.08 -1.26 -4.87 116.67 120.22 1yeq s ASP 94 Ca 0.11 2.43 0.46 0.00 -0.52 0.00 0.00 52.55 55.03 1yeq s ASP 94 Cb -0.12 -2.55 1.68 0.00 -1.46 0.00 0.00 42.92 40.46 1yeq s ASP 94 CO 0.01 -0.90 1.61 -0.65 0.52 0.00 0.00 175.17 175.75 1yeq h PRO 95 N 8.75 0.01 -0.89 4.34 0.11 -1.98 0.10 132.00 142.43 1yeq h PRO 95 Ca -0.42 -0.00 0.19 0.00 0.11 0.00 0.00 66.00 65.88 1yeq h PRO 95 Cb 1.20 -0.00 -0.11 0.00 0.11 0.00 0.00 31.00 32.19 1yeq h PRO 95 CO 0.93 0.01 0.44 0.28 -0.21 0.00 0.00 178.00 179.45 1yeq h VAL 96 N 0.01 0.60 0.00 3.15 2.07 -2.03 -0.19 116.25 119.86 1yeq h VAL 96 Ca 0.88 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 68.21 1yeq h VAL 96 Cb 3.42 0.03 -0.00 0.00 -1.52 0.00 0.00 31.29 33.21 1yeq h VAL 96 CO -0.08 0.10 -0.04 0.78 0.02 0.00 0.00 177.57 178.35 1yeq h ASN 97 N 0.52 0.00 0.34 0.57 -0.26 -1.16 -2.28 115.58 113.32 1yeq h ASN 97 Ca 0.53 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 56.19 1yeq h ASN 97 Cb 0.90 0.00 -0.01 0.00 -1.06 0.00 0.00 38.32 38.15 1yeq h ASN 97 CO -0.45 0.04 -0.35 -0.26 -1.06 0.00 0.00 177.43 175.36 1yeq h PHE 98 N 0.00 0.00 0.00 1.19 -1.00 -1.19 -2.64 116.94 113.31 1yeq h PHE 98 Ca -0.00 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.73 1yeq h PHE 98 Cb 0.09 -0.00 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 1yeq h PHE 98 CO 0.00 0.35 -0.24 0.87 -1.61 0.00 0.00 178.31 177.68 1yeq h LYS 99 N 0.00 0.00 0.20 1.51 1.57 -1.49 -2.65 116.57 115.71 1yeq h LYS 99 Ca -0.00 0.00 -0.31 0.00 -1.87 0.00 0.00 60.65 58.47 1yeq h LYS 99 Cb 0.62 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.95 1yeq h LYS 99 CO 0.05 0.24 -1.37 -0.07 -0.57 0.00 0.00 179.45 177.73 1yeq h LEU 100 N 0.00 0.65 -0.45 2.94 3.38 -1.54 -2.55 115.31 117.74 1yeq h LEU 100 Ca -0.00 -0.70 -0.14 0.00 0.09 0.00 0.00 57.88 57.13 1yeq h LEU 100 Cb 0.94 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 1yeq h LEU 100 CO 0.03 1.55 -0.26 0.25 0.09 0.00 0.00 178.44 180.10 1yeq h LEU 101 N 0.11 1.00 -0.35 1.67 5.85 -1.53 -1.21 115.31 120.86 1yeq h LEU 101 Ca -0.20 -0.41 0.03 0.00 0.84 0.00 0.00 57.88 58.13 1yeq h LEU 101 Cb 2.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.80 1yeq h LEU 101 CO 0.24 1.20 0.17 0.28 -0.34 0.00 0.00 178.44 179.99 1yeq h SER 102 N 0.81 0.24 -0.86 1.25 0.02 -1.50 0.76 113.55 114.27 1yeq h SER 102 Ca 0.10 0.02 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1yeq h SER 102 Cb 0.84 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 63.31 1yeq h SER 102 CO 0.07 0.18 0.46 -0.74 -1.14 0.00 0.00 176.83 175.66 1yeq h HIS 103 N 0.35 1.19 -0.15 3.45 -0.00 -1.41 0.18 115.15 118.77 1yeq h HIS 103 Ca 0.15 -0.04 -0.13 0.00 -0.00 0.00 0.00 60.37 60.35 1yeq h HIS 103 Cb 0.06 -0.38 -0.01 0.00 -0.00 0.00 0.00 27.41 27.08 1yeq h HIS 103 CO -0.10 0.83 -0.47 0.00 -0.00 0.00 0.00 177.93 178.20 1yeq h LEU 105 N 0.31 0.36 0.19 0.00 7.12 0.10 -2.29 115.31 121.11 1yeq h LEU 105 Ca 0.02 -0.09 -0.00 0.00 0.13 0.00 0.00 57.88 57.93 1yeq h LEU 105 Cb 0.94 -0.09 -0.01 0.00 -0.53 0.00 0.00 40.66 40.97 1yeq h LEU 105 CO 0.08 0.35 -0.14 -0.07 -0.13 0.00 0.00 178.44 178.53 1yeq h LEU 106 N 0.34 -0.37 -0.41 2.25 3.38 -0.11 0.15 115.31 120.56 1yeq h LEU 106 Ca 0.10 0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.18 1yeq h LEU 106 Cb 0.07 0.12 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1yeq h LEU 106 CO -0.02 -0.22 -0.02 0.58 0.09 0.00 0.00 178.44 178.85 1yeq h VAL 107 N -0.34 0.67 0.59 1.22 2.07 -1.10 0.48 116.25 119.84 1yeq h VAL 107 Ca -0.01 -0.03 -0.02 0.00 0.82 0.00 0.00 66.70 67.46 1yeq h VAL 107 Cb 0.30 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.64 1yeq h VAL 107 CO -0.01 0.02 -0.43 0.74 0.02 0.00 0.00 177.57 177.91 1yeq h THR 108 N 0.09 0.00 -0.72 2.57 2.02 -1.01 -1.72 112.91 114.14 1yeq h THR 108 Ca 0.20 0.00 0.13 0.00 0.77 0.00 0.00 66.41 67.52 1yeq h THR 108 Cb 0.29 0.00 -0.13 0.00 -1.74 0.00 0.00 68.15 66.57 1yeq h THR 108 CO -0.35 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.21 1yeq h LEU 109 N -0.97 -0.92 0.00 2.58 3.38 -0.19 0.67 115.31 119.85 1yeq h LEU 109 Ca -0.08 0.23 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1yeq h LEU 109 Cb 0.80 0.53 0.00 0.00 0.09 0.00 0.00 40.66 42.08 1yeq h LEU 109 CO 0.03 -0.27 0.00 0.00 0.09 0.00 0.00 178.44 178.29 1yeq n ALA 110 N -3.23 1.77 0.29 1.53 0.00 0.16 -1.95 120.51 119.08 1yeq n ALA 110 Ca 0.08 -0.06 0.03 0.00 0.00 0.00 0.00 53.44 53.50 1yeq n ALA 110 Cb 0.38 -1.16 -0.01 0.00 0.00 0.00 0.00 19.45 18.66 1yeq n ALA 110 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1yeq n ALA 111 N -1.11 2.66 0.01 0.00 0.00 0.23 -4.53 120.51 117.77 1yeq n ALA 111 Ca 0.06 -0.34 0.02 0.00 0.00 0.00 0.00 53.44 53.18 1yeq n ALA 111 Cb 0.05 -0.23 -0.03 0.00 0.00 0.00 0.00 19.45 19.25 1yeq n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1yeq n HIS 112 N -0.47 0.00 -2.94 0.00 8.25 -0.88 -4.79 115.22 114.38 1yeq n HIS 112 Ca 0.02 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.22 1yeq n HIS 112 Cb 0.13 -0.08 -0.04 0.00 1.12 0.00 0.00 29.99 31.12 1yeq n HIS 112 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yeq n LEU 113 N -1.59 4.35 -0.01 2.41 4.77 -0.82 -4.93 117.00 121.18 1yeq n LEU 113 Ca -0.01 -5.65 -0.15 0.00 -0.03 0.00 0.00 56.01 50.17 1yeq n LEU 113 Cb 0.09 -0.50 -0.10 0.00 -2.33 0.00 0.00 43.42 40.58 1yeq n LEU 113 CO 0.07 2.35 0.51 -0.65 -1.33 0.00 0.00 177.39 178.35 1yeq h PRO 114 N 2.98 -0.55 -1.02 3.23 0.11 -1.84 -1.10 132.00 133.81 1yeq h PRO 114 Ca 0.13 0.04 0.29 0.00 0.11 0.00 0.00 66.00 66.57 1yeq h PRO 114 Cb 0.53 0.13 -0.04 0.00 0.11 0.00 0.00 31.00 31.72 1yeq h PRO 114 CO 0.81 -0.37 0.73 0.00 -0.21 0.00 0.00 178.00 178.95 1yeq h ALA 115 N -0.26 2.91 0.00 -0.75 0.00 -1.96 -2.64 119.26 116.56 1yeq h ALA 115 Ca 0.04 -0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.80 1yeq h ALA 115 Cb 0.68 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1yeq h ALA 115 CO -0.44 -1.21 -2.08 0.39 0.00 0.00 0.00 179.25 175.91 1yeq n GLU 116 N -4.26 0.70 -0.51 0.00 4.71 -0.52 -4.64 120.64 116.13 1yeq n GLU 116 Ca 0.22 -0.13 -0.10 0.00 -0.01 0.00 0.00 57.16 57.13 1yeq n GLU 116 Cb 1.06 -1.50 -0.05 0.00 -1.01 0.00 0.00 31.44 29.94 1yeq n GLU 116 CO 0.00 0.00 0.00 0.34 0.09 0.00 0.00 177.13 177.56 1yeq n PHE 117 N -2.39 0.43 -1.10 -0.32 7.35 -0.61 -4.70 117.46 116.11 1yeq n PHE 117 Ca -0.13 -1.07 -0.31 0.00 -0.76 0.00 0.00 57.45 55.19 1yeq n PHE 117 Cb 0.74 -1.14 0.13 0.00 0.35 0.00 0.00 39.48 39.55 1yeq n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1yeq s THR 118 N 2.72 2.85 0.59 -2.13 -4.23 -1.26 -4.67 115.64 109.52 1yeq s THR 118 Ca 0.31 0.27 0.29 0.00 -1.18 0.00 0.00 61.69 61.39 1yeq s THR 118 Cb 0.12 -2.65 0.36 0.00 1.34 0.00 0.00 72.50 71.67 1yeq s THR 118 CO -0.01 -0.36 2.10 -0.65 -0.54 0.00 0.00 174.62 175.16 1yeq h PRO 119 N -1.45 0.00 0.23 3.99 0.11 -1.98 0.26 132.00 133.16 1yeq h PRO 119 Ca -0.46 0.00 -0.33 0.00 0.11 0.00 0.00 66.00 65.33 1yeq h PRO 119 Cb 1.26 0.00 0.03 0.00 0.11 0.00 0.00 31.00 32.40 1yeq h PRO 119 CO 0.50 0.00 -1.46 0.00 -0.21 0.00 0.00 178.00 176.83 1yeq h ALA 120 N 1.76 -0.10 -0.06 -0.75 0.00 -1.93 -2.04 119.26 116.14 1yeq h ALA 120 Ca 0.08 -0.90 -0.21 0.00 0.00 0.00 0.00 54.91 53.88 1yeq h ALA 120 Cb 0.48 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.50 1yeq h ALA 120 CO -0.00 0.72 -0.84 0.28 0.00 0.00 0.00 179.25 179.40 1yeq h VAL 121 N 0.08 1.35 -0.17 0.00 2.07 -1.71 0.28 116.25 118.15 1yeq h VAL 121 Ca -0.26 -2.22 0.05 0.00 0.82 0.00 0.00 66.70 65.09 1yeq h VAL 121 Cb 2.10 2.21 -0.05 0.00 -1.52 0.00 0.00 31.29 34.03 1yeq h VAL 121 CO 0.25 0.67 -0.18 -0.74 0.02 0.00 0.00 177.57 177.59 1yeq h HIS 122 N 0.33 -0.46 0.21 1.57 6.17 -0.59 0.82 115.15 123.20 1yeq h HIS 122 Ca -0.06 0.03 0.00 0.00 0.71 0.00 0.00 60.37 61.05 1yeq h HIS 122 Cb 1.46 0.23 -0.01 0.00 2.52 0.00 0.00 27.41 31.60 1yeq h HIS 122 CO 0.06 -0.25 -0.18 0.00 0.71 0.00 0.00 177.93 178.27 1yeq h ALA 123 N 0.86 -0.38 -0.12 5.26 0.00 -1.06 -0.69 119.26 123.12 1yeq h ALA 123 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.97 1yeq h ALA 123 Cb 0.37 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.39 1yeq h ALA 123 CO -0.29 -0.73 0.02 0.77 0.00 0.00 0.00 179.25 179.02 1yeq h SER 124 N -0.40 0.01 -0.78 0.00 0.02 -0.07 -2.40 113.55 109.92 1yeq h SER 124 Ca -0.01 0.02 0.10 0.00 -0.84 0.00 0.00 61.79 61.06 1yeq h SER 124 Cb 0.37 0.03 -0.05 0.00 0.14 0.00 0.00 62.40 62.88 1yeq h SER 124 CO -0.02 0.02 0.51 -0.07 -1.14 0.00 0.00 176.83 176.13 1yeq h LEU 125 N 0.08 0.62 0.37 5.07 3.38 0.84 -0.61 115.31 125.05 1yeq h LEU 125 Ca 0.05 0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1yeq h LEU 125 Cb 0.05 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1yeq h LEU 125 CO -0.07 0.37 -0.18 -0.78 0.09 0.00 0.00 178.44 177.87 1yeq h ASP 126 N 0.69 -0.42 -0.41 -0.43 3.58 -0.65 -2.13 116.42 116.65 1yeq h ASP 126 Ca 0.36 -0.07 0.02 0.00 0.42 0.00 0.00 57.03 57.76 1yeq h ASP 126 Cb 0.49 0.11 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1yeq h ASP 126 CO -0.14 -0.18 0.27 0.11 -2.88 0.00 0.00 179.24 176.43 1yeq h LYS 127 N -0.64 0.47 0.19 0.28 1.57 -1.02 -1.67 116.57 115.74 1yeq h LYS 127 Ca -0.05 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.69 1yeq h LYS 127 Cb 0.46 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.67 1yeq h LYS 127 CO 0.08 0.31 -0.09 0.35 -0.57 0.00 0.00 179.45 179.53 1yeq h PHE 128 N 0.48 -0.24 0.00 -1.35 3.57 -0.84 -1.69 116.94 116.87 1yeq h PHE 128 Ca 0.16 -0.01 -0.07 0.00 3.53 0.00 0.00 57.97 61.59 1yeq h PHE 128 Cb 0.05 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 38.86 1yeq h PHE 128 CO -0.00 -0.03 -0.32 -0.07 -2.23 0.00 0.00 178.31 175.66 1yeq h LEU 129 N -0.41 0.00 -0.58 0.59 3.38 -1.20 -1.31 115.31 115.78 1yeq h LEU 129 Ca -0.03 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 57.86 1yeq h LEU 129 Cb 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 1yeq h LEU 129 CO 0.04 0.32 0.05 0.00 0.09 0.00 0.00 178.44 178.94 1yeq h ALA 130 N 1.68 0.78 -0.23 1.53 0.00 -1.14 0.19 119.26 122.07 1yeq h ALA 130 Ca -0.00 -0.28 -0.13 0.00 0.00 0.00 0.00 54.91 54.49 1yeq h ALA 130 Cb 0.79 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.35 1yeq h ALA 130 CO 0.04 0.58 -0.42 0.77 0.00 0.00 0.00 179.25 180.22 1yeq h SER 131 N 0.90 0.58 0.01 0.00 0.02 -0.74 -0.80 113.55 113.51 1yeq h SER 131 Ca 0.17 -0.26 -0.08 0.00 -0.84 0.00 0.00 61.79 60.78 1yeq h SER 131 Cb 0.49 -0.16 -0.01 0.00 0.14 0.00 0.00 62.40 62.85 1yeq h SER 131 CO 0.02 0.93 -0.23 0.58 -1.14 0.00 0.00 176.83 176.99 1yeq h VAL 132 N 0.44 1.25 -0.09 2.27 2.07 -0.99 -1.36 116.25 119.84 1yeq h VAL 132 Ca 0.04 -1.15 -0.10 0.00 0.82 0.00 0.00 66.70 66.31 1yeq h VAL 132 Cb 0.92 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 32.02 1yeq h VAL 132 CO 0.08 0.36 -0.38 0.28 0.02 0.00 0.00 177.57 177.93 1yeq h SER 133 N 0.34 0.19 -0.04 0.57 0.02 0.17 -2.48 113.55 112.32 1yeq h SER 133 Ca 0.05 -0.07 -0.03 0.00 -0.84 0.00 0.00 61.79 60.90 1yeq h SER 133 Cb 0.59 -0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.08 1yeq h SER 133 CO 0.04 0.56 -0.09 0.74 -1.14 0.00 0.00 176.83 176.95 1yeq h THR 134 N 0.16 1.44 0.00 -2.27 2.02 -0.44 -2.96 112.91 110.85 1yeq h THR 134 Ca 0.02 -1.44 -0.01 0.00 0.77 0.00 0.00 66.41 65.75 1yeq h THR 134 Cb 0.75 2.31 -0.00 0.00 -1.74 0.00 0.00 68.15 69.47 1yeq h THR 134 CO 0.06 0.39 -0.02 0.58 0.37 0.00 0.00 175.52 176.89 1yeq h VAL 135 N -0.41 0.16 -0.01 3.16 2.07 -1.28 -1.14 116.25 118.80 1yeq h VAL 135 Ca -0.00 -0.24 0.00 0.00 0.82 0.00 0.00 66.70 67.28 1yeq h VAL 135 Cb 0.68 1.20 0.00 0.00 -1.52 0.00 0.00 31.29 31.65 1yeq h VAL 135 CO 0.02 0.02 -0.11 0.18 0.02 0.00 0.00 177.57 177.71 1yeq n LEU 136 N -3.26 1.12 0.00 2.57 4.77 -0.94 -4.12 117.00 117.14 1yeq n LEU 136 Ca -0.02 -0.32 0.00 0.00 -0.03 0.00 0.00 56.01 55.64 1yeq n LEU 136 Cb 0.16 -0.07 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 1yeq n LEU 136 CO 0.24 0.20 0.24 0.35 -1.33 0.00 0.00 177.39 177.09 1yeq n THR 137 N -0.33 0.20 0.03 -5.08 -2.24 -0.54 -4.31 114.28 102.01 1yeq n THR 137 Ca 0.16 -0.24 -0.01 0.00 -2.27 0.00 0.00 64.05 61.69 1yeq n THR 137 Cb 0.33 1.12 0.27 0.00 -2.10 0.00 0.00 70.33 69.95 1yeq n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1yeq h SER 138 N 0.00 0.43 -0.81 3.42 4.64 -1.43 -2.71 113.55 117.10 1yeq h SER 138 Ca 0.00 -0.11 -0.48 0.00 -0.47 0.00 0.00 61.79 60.73 1yeq h SER 138 Cb 0.70 -0.11 -0.20 0.00 -0.31 0.00 0.00 62.40 62.48 1yeq h SER 138 CO 0.00 0.61 0.59 0.29 -0.87 0.00 0.00 176.83 177.45 1yeq n LYS 139 N -4.19 2.21 0.08 4.77 5.02 -1.26 -4.41 118.16 120.37 1yeq n LYS 139 Ca 0.00 -2.30 -0.17 0.00 -2.02 0.00 0.00 58.31 53.82 1yeq n LYS 139 Cb 0.33 -1.93 -0.09 0.00 -0.02 0.00 0.00 35.03 33.32 1yeq n LYS 139 CO 0.00 0.00 0.00 -0.92 -0.52 0.00 0.00 177.40 175.96 1yeq h TYR 140 N 1.94 0.73 0.00 2.13 3.20 -1.76 -3.41 116.97 119.80 1yeq h TYR 140 Ca 0.42 -0.44 0.00 0.00 3.14 0.00 0.00 58.73 61.85 1yeq h TYR 140 Cb 0.80 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.00 1yeq h TYR 140 CO 1.11 1.28 0.00 2.89 -1.64 0.00 0.00 178.16 181.80