#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 4.14 0.65 7.52 1.43 -1.26 -5.06 118.68 126.10 1yeq s LEU 2 Ca 0.00 0.47 -0.02 0.00 -1.03 0.00 0.00 54.13 53.54 1yeq s LEU 2 Cb 0.00 -2.86 0.07 0.00 0.03 0.00 0.00 46.19 43.43 1yeq s LEU 2 CO 0.00 -0.50 0.92 -0.94 0.23 0.00 0.00 176.35 176.06 1yeq s SER 3 N 1.64 4.85 0.17 2.29 1.04 -1.26 -4.92 113.70 117.50 1yeq s SER 3 Ca 0.26 0.08 -0.15 0.00 0.48 0.00 0.00 55.95 56.63 1yeq s SER 3 Cb -0.15 -0.76 0.11 0.00 0.10 0.00 0.00 66.02 65.33 1yeq s SER 3 CO 0.12 -1.50 1.74 -0.65 0.98 0.00 0.00 173.24 173.92 1yeq h PRO 4 N -0.34 0.25 -0.34 4.02 0.11 -1.99 -1.90 132.00 131.82 1yeq h PRO 4 Ca -0.42 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.68 1yeq h PRO 4 Cb 1.30 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1yeq h PRO 4 CO 0.52 0.17 0.20 0.00 -0.21 0.00 0.00 178.00 178.68 1yeq h ALA 5 N 1.29 0.43 -0.57 -0.75 0.00 -1.99 -0.90 119.26 116.78 1yeq h ALA 5 Ca 0.20 -0.05 0.11 0.00 0.00 0.00 0.00 54.91 55.16 1yeq h ALA 5 Cb 0.22 -0.13 -0.11 0.00 0.00 0.00 0.00 17.79 17.76 1yeq h ALA 5 CO -0.23 -0.08 -0.30 -0.44 0.00 0.00 0.00 179.25 178.20 1yeq h ASP 6 N 0.43 -1.04 -0.91 0.00 3.32 -1.80 0.31 116.42 116.74 1yeq h ASP 6 Ca 0.12 0.21 -0.00 0.00 0.02 0.00 0.00 57.03 57.38 1yeq h ASP 6 Cb 0.01 0.53 -0.04 0.00 0.22 0.00 0.00 39.33 40.04 1yeq h ASP 6 CO -0.02 -0.29 0.57 0.11 -1.72 0.00 0.00 179.24 177.88 1yeq h LYS 7 N -0.15 1.22 -0.62 3.56 1.57 -0.67 0.10 116.57 121.58 1yeq h LYS 7 Ca 0.24 -0.10 -0.09 0.00 -1.87 0.00 0.00 60.65 58.83 1yeq h LYS 7 Cb 0.54 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1yeq h LYS 7 CO -0.65 0.84 0.02 1.15 -0.57 0.00 0.00 179.45 180.23 1yeq h THR 8 N 1.25 1.27 -0.30 -0.16 2.02 0.36 -1.53 112.91 115.81 1yeq h THR 8 Ca 0.33 -1.14 -0.04 0.00 0.77 0.00 0.00 66.41 66.33 1yeq h THR 8 Cb -0.08 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1yeq h THR 8 CO -0.06 0.42 0.03 0.78 0.37 0.00 0.00 175.52 177.05 1yeq h ASN 9 N 0.99 0.49 0.51 4.18 -0.26 0.89 -2.49 115.58 119.89 1yeq h ASN 9 Ca 0.18 -0.28 -0.02 0.00 -0.56 0.00 0.00 56.30 55.62 1yeq h ASN 9 Cb 0.54 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.67 1yeq h ASN 9 CO 0.03 0.64 -0.32 0.58 -1.06 0.00 0.00 177.43 177.30 1yeq h VAL 10 N 0.31 0.34 -0.83 2.81 2.07 -0.70 -2.54 116.25 117.71 1yeq h VAL 10 Ca 0.09 0.00 0.17 0.00 0.82 0.00 0.00 66.70 67.77 1yeq h VAL 10 Cb 0.37 0.34 -0.10 0.00 -1.52 0.00 0.00 31.29 30.38 1yeq h VAL 10 CO 0.01 0.00 0.37 0.11 0.02 0.00 0.00 177.57 178.08 1yeq h LYS 11 N -0.79 0.48 -0.39 1.57 1.57 -1.23 -0.24 116.57 117.54 1yeq h LYS 11 Ca -0.06 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.62 1yeq h LYS 11 Cb 0.65 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 1yeq h LYS 11 CO 0.05 0.32 -0.05 0.00 -0.57 0.00 0.00 179.45 179.20 1yeq h ALA 12 N 1.60 0.53 -0.03 3.86 0.00 -1.35 -0.46 119.26 123.41 1yeq h ALA 12 Ca 0.47 -0.29 -0.18 0.00 0.00 0.00 0.00 54.91 54.91 1yeq h ALA 12 Cb 0.76 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 1yeq h ALA 12 CO -0.43 0.35 -0.79 0.00 0.00 0.00 0.00 179.25 178.39 1yeq h ALA 13 N 0.86 0.60 0.00 0.00 0.00 -0.95 -2.15 119.26 117.62 1yeq h ALA 13 Ca 0.10 -0.66 -0.12 0.00 0.00 0.00 0.00 54.91 54.24 1yeq h ALA 13 Cb 0.55 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.25 1yeq h ALA 13 CO 0.03 0.84 -0.56 2.35 0.00 0.00 0.00 179.25 181.91 1yeq h TRP 14 N 0.16 0.00 -0.60 0.00 2.91 -1.04 -2.19 115.95 115.19 1yeq h TRP 14 Ca -0.03 0.00 -0.09 0.00 1.13 0.00 0.00 58.89 59.90 1yeq h TRP 14 Cb 1.38 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 30.01 1yeq h TRP 14 CO 0.03 0.56 0.02 0.78 -1.03 0.00 0.00 178.44 178.80 1yeq h GLY 15 N 1.99 1.11 1.89 2.65 0.00 -0.88 -2.28 103.07 107.55 1yeq h GLY 15 Ca -0.01 -0.78 -0.07 0.00 0.00 0.00 0.00 47.33 46.47 1yeq h GLY 15 CO 0.07 0.72 -0.30 0.50 0.00 0.00 0.00 176.54 177.53 1yeq h LYS 16 N 0.95 0.12 0.55 4.80 1.79 -1.02 -3.03 116.57 120.73 1yeq h LYS 16 Ca 0.18 -0.04 -0.03 0.00 -2.18 0.00 0.00 60.65 58.58 1yeq h LYS 16 Cb 0.51 -0.01 0.01 0.00 -1.58 0.00 0.00 32.23 31.16 1yeq h LYS 16 CO 0.02 0.42 -0.26 0.28 -1.08 0.00 0.00 179.45 178.83 1yeq h VAL 17 N 0.11 0.00 0.00 0.50 2.07 -1.04 -3.46 116.25 114.43 1yeq h VAL 17 Ca 0.02 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.40 1yeq h VAL 17 Cb 0.60 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.37 1yeq h VAL 17 CO 0.04 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.24 1yeq n GLY 18 N -0.81 3.68 0.13 2.17 0.00 -0.89 -2.80 105.19 106.67 1yeq n GLY 18 Ca -0.09 0.02 0.13 0.00 0.00 0.00 0.00 46.02 46.08 1yeq n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yeq h ALA 19 N -0.75 1.00 -0.00 4.61 0.00 -1.89 -3.01 119.26 119.22 1yeq h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1yeq h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1yeq h ALA 19 CO 0.00 0.00 -0.07 0.72 0.00 0.00 0.00 179.25 179.90 1yeq n HIS 20 N -2.34 0.00 -0.34 0.00 -0.00 -1.12 -4.20 115.22 107.21 1yeq n HIS 20 Ca 0.04 0.00 0.02 0.00 -0.00 0.00 0.00 57.72 57.78 1yeq n HIS 20 Cb 0.36 -0.42 0.08 0.00 -0.00 0.00 0.00 29.99 30.02 1yeq n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yeq n ALA 21 N -1.44 0.05 -0.02 -1.41 0.00 -1.14 -0.69 120.51 115.86 1yeq n ALA 21 Ca 0.08 0.97 -0.13 0.00 0.00 0.00 0.00 53.44 54.36 1yeq n ALA 21 Cb 0.32 -0.51 -0.07 0.00 0.00 0.00 0.00 19.45 19.20 1yeq n ALA 21 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.50 178.28 1yeq h GLY 22 N 0.00 -0.78 0.78 0.00 0.00 -1.86 0.50 103.07 101.71 1yeq h GLY 22 Ca 0.38 0.57 0.05 0.00 0.00 0.00 0.00 47.33 48.33 1yeq h GLY 22 CO -0.93 -0.21 0.52 1.05 0.00 0.00 0.00 176.54 176.97 1yeq h GLU 23 N -0.49 0.94 0.09 4.80 4.11 -1.20 0.20 114.58 123.04 1yeq h GLU 23 Ca 0.08 -0.06 0.01 0.00 0.07 0.00 0.00 59.36 59.46 1yeq h GLU 23 Cb 0.63 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 1yeq h GLU 23 CO -0.44 0.62 -0.13 1.88 0.07 0.00 0.00 179.01 181.02 1yeq h TYR 24 N 0.97 -0.33 -0.19 2.06 -1.99 -0.45 0.50 116.97 117.54 1yeq h TYR 24 Ca 0.35 0.00 0.05 0.00 2.00 0.00 0.00 58.73 61.14 1yeq h TYR 24 Cb 0.11 0.13 -0.06 0.00 2.00 0.00 0.00 36.73 38.91 1yeq h TYR 24 CO -0.03 -0.19 -0.20 0.78 -0.00 0.00 0.00 178.16 178.52 1yeq h GLY 25 N -0.26 -0.10 0.46 3.88 0.00 0.74 0.24 103.07 108.02 1yeq h GLY 25 Ca 0.02 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.58 1yeq h GLY 25 CO -0.06 -0.18 -0.48 0.00 0.00 0.00 0.00 176.54 175.82 1yeq h ALA 26 N 0.85 -1.04 -0.49 3.60 0.00 -0.05 -2.21 119.26 119.92 1yeq h ALA 26 Ca 0.12 -0.16 0.10 0.00 0.00 0.00 0.00 54.91 54.97 1yeq h ALA 26 Cb 0.40 0.72 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1yeq h ALA 26 CO -0.32 -1.13 -0.08 1.49 0.00 0.00 0.00 179.25 179.21 1yeq h GLU 27 N -0.91 0.04 -0.32 0.00 4.81 0.33 -1.92 114.58 116.61 1yeq h GLU 27 Ca -0.04 -0.00 0.06 0.00 -0.13 0.00 0.00 59.36 59.25 1yeq h GLU 27 Cb 0.82 -0.01 -0.08 0.00 0.63 0.00 0.00 28.75 30.11 1yeq h GLU 27 CO -0.11 0.02 -0.41 0.00 -0.73 0.00 0.00 179.01 177.78 1yeq h ALA 28 N 1.48 -0.45 -0.55 2.92 0.00 -0.20 0.45 119.26 122.91 1yeq h ALA 28 Ca 0.24 0.05 0.10 0.00 0.00 0.00 0.00 54.91 55.30 1yeq h ALA 28 Cb 0.37 0.83 -0.08 0.00 0.00 0.00 0.00 17.79 18.92 1yeq h ALA 28 CO -0.48 -0.86 0.12 -0.07 0.00 0.00 0.00 179.25 177.96 1yeq h LEU 29 N -0.37 0.02 -1.17 0.00 3.38 -0.76 0.54 115.31 116.95 1yeq h LEU 29 Ca 0.12 0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.15 1yeq h LEU 29 Cb 0.59 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.44 1yeq h LEU 29 CO -0.52 0.03 0.16 -0.08 0.09 0.00 0.00 178.44 178.12 1yeq h GLU 30 N 0.26 0.74 -0.88 1.13 4.81 -0.48 0.40 114.58 120.56 1yeq h GLU 30 Ca 0.28 -0.13 -0.02 0.00 -0.13 0.00 0.00 59.36 59.37 1yeq h GLU 30 Cb 0.39 -0.12 -0.04 0.00 0.63 0.00 0.00 28.75 29.61 1yeq h GLU 30 CO -0.36 0.64 0.48 0.00 -0.73 0.00 0.00 179.01 179.05 1yeq h ARG 31 N 0.73 1.23 0.24 1.92 3.08 0.13 -2.13 114.38 119.57 1yeq h ARG 31 Ca 0.17 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 1yeq h ARG 31 Cb 0.21 -0.24 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1yeq h ARG 31 CO -0.01 0.90 -0.11 1.98 -1.07 0.00 0.00 179.97 181.66 1yeq h MET 32 N 1.23 -0.31 -1.04 0.04 4.05 0.17 -1.61 114.93 117.46 1yeq h MET 32 Ca 0.31 0.02 0.41 0.00 -0.28 0.00 0.00 59.70 60.16 1yeq h MET 32 Cb 0.03 0.07 -0.15 0.00 -0.80 0.00 0.00 31.60 30.74 1yeq h MET 32 CO -0.05 -0.21 0.60 1.19 0.23 0.00 0.00 176.91 178.67 1yeq n PHE 33 N -3.24 0.95 -0.03 1.39 3.72 0.13 -0.62 117.46 119.76 1yeq n PHE 33 Ca -0.04 0.96 -0.09 0.00 -0.05 0.00 0.00 57.45 58.22 1yeq n PHE 33 Cb 0.13 -1.37 -0.08 0.00 -0.94 0.00 0.00 39.48 37.22 1yeq n PHE 33 CO 0.00 0.00 0.00 -0.07 -0.05 0.00 0.00 176.76 176.64 1yeq h LEU 34 N 0.00 -0.05 -0.89 4.37 3.38 -1.42 -3.33 115.31 117.38 1yeq h LEU 34 Ca 0.80 -0.56 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1yeq h LEU 34 Cb 2.26 0.01 0.00 0.00 0.09 0.00 0.00 40.66 43.02 1yeq h LEU 34 CO -0.62 0.69 0.00 0.28 0.09 0.00 0.00 178.44 178.88 1yeq h SER 35 N -0.95 0.00 -2.36 -0.43 0.02 0.10 -3.37 113.55 106.56 1yeq h SER 35 Ca -0.01 0.00 -0.55 0.00 -0.84 0.00 0.00 61.79 60.39 1yeq h SER 35 Cb 0.60 0.00 -0.37 0.00 0.14 0.00 0.00 62.40 62.77 1yeq h SER 35 CO 0.01 0.00 -0.89 -0.36 -1.14 0.00 0.00 176.83 174.45 1yeq s PHE 36 N -3.48 0.73 0.40 3.45 0.08 0.21 -5.02 117.98 114.35 1yeq s PHE 36 Ca 0.04 -1.88 0.10 0.00 0.12 0.00 0.00 56.93 55.30 1yeq s PHE 36 Cb 0.08 -0.82 0.90 0.00 -0.57 0.00 0.00 43.02 42.60 1yeq s PHE 36 CO 0.58 -0.86 1.99 -1.35 -0.10 0.00 0.00 175.22 175.48 1yeq h PRO 37 N 6.23 0.54 -0.94 0.24 0.11 -1.74 -2.40 132.00 134.03 1yeq h PRO 37 Ca 0.17 -0.03 0.20 0.00 0.11 0.00 0.00 66.00 66.44 1yeq h PRO 37 Cb 0.95 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.86 1yeq h PRO 37 CO 0.30 0.36 0.61 1.79 -0.21 0.00 0.00 178.00 180.85 1yeq h THR 38 N 0.56 0.69 -0.26 -1.15 1.35 -1.95 0.64 112.91 112.79 1yeq h THR 38 Ca 0.26 -0.18 0.08 0.00 -0.55 0.00 0.00 66.41 66.01 1yeq h THR 38 Cb 0.31 0.11 -0.01 0.00 -1.73 0.00 0.00 68.15 66.83 1yeq h THR 38 CO -0.08 0.10 0.41 0.71 -0.25 0.00 0.00 175.52 176.41 1yeq h THR 39 N 0.54 0.24 0.00 6.82 1.35 -1.80 -0.94 112.91 119.12 1yeq h THR 39 Ca 0.51 0.00 -0.02 0.00 -0.55 0.00 0.00 66.41 66.35 1yeq h THR 39 Cb 1.08 0.64 -0.00 0.00 -1.73 0.00 0.00 68.15 68.14 1yeq h THR 39 CO -0.24 0.00 -0.07 0.11 -0.25 0.00 0.00 175.52 175.06 1yeq h LYS 40 N 0.00 0.00 -0.17 4.72 1.57 -1.07 -2.68 116.57 118.94 1yeq h LYS 40 Ca 0.12 0.00 0.05 0.00 -1.87 0.00 0.00 60.65 58.95 1yeq h LYS 40 Cb 0.95 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.25 1yeq h LYS 40 CO -0.00 0.07 0.20 1.79 -0.57 0.00 0.00 179.45 180.94 1yeq h THR 41 N 0.00 0.44 -0.00 -0.16 1.35 -1.35 0.50 112.91 113.69 1yeq h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1yeq h THR 41 Cb 0.17 0.84 0.00 0.00 -1.73 0.00 0.00 68.15 67.43 1yeq h THR 41 CO 0.01 0.00 -0.06 -1.22 -0.25 0.00 0.00 175.52 174.00 1yeq n TYR 42 N -3.75 0.00 -2.61 4.73 4.01 -1.01 -4.09 117.16 114.44 1yeq n TYR 42 Ca 0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.57 1yeq n TYR 42 Cb 0.31 -0.21 0.01 0.00 -0.31 0.00 0.00 39.34 39.15 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 -1.07 2.20 0.27 -0.72 3.01 0.17 -4.91 117.46 116.41 1yeq n PHE 43 Ca 0.15 -3.02 0.16 0.00 1.01 0.00 0.00 57.45 55.75 1yeq n PHE 43 Cb 0.25 -0.26 0.62 0.00 -0.01 0.00 0.00 39.48 40.08 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 2.82 0.00 -0.21 -1.08 0.13 -1.70 -2.59 132.00 129.36 1yeq h PRO 44 Ca 0.09 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.22 1yeq h PRO 44 Cb 1.03 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.16 1yeq h PRO 44 CO 0.66 0.03 0.00 -2.39 -0.23 0.00 0.00 178.00 176.07 1yeq n HIS 45 N -3.14 0.27 -3.64 1.56 1.44 -1.26 -4.93 115.22 105.52 1yeq n HIS 45 Ca 0.01 -0.13 -0.36 0.00 -2.01 0.00 0.00 57.72 55.22 1yeq n HIS 45 Cb 0.34 0.00 -0.06 0.00 0.12 0.00 0.00 29.99 30.39 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 -1.73 3.64 -0.62 -1.40 0.40 -0.98 -5.02 117.98 112.27 1yeq s PHE 46 Ca 0.33 0.77 -0.27 0.00 -0.60 0.00 0.00 56.93 57.16 1yeq s PHE 46 Cb 0.18 -2.13 0.03 0.00 0.51 0.00 0.00 43.02 41.62 1yeq s PHE 46 CO 0.27 0.63 1.17 0.34 0.70 0.00 0.00 175.22 178.33 1yeq s ASP 47 N -1.36 6.36 -0.19 1.36 -1.08 -1.26 -4.88 116.67 115.61 1yeq s ASP 47 Ca 0.25 -0.12 0.08 0.00 -0.52 0.00 0.00 52.55 52.24 1yeq s ASP 47 Cb -0.14 -2.54 0.53 0.00 -1.46 0.00 0.00 42.92 39.31 1yeq s ASP 47 CO 0.13 -1.53 1.41 0.18 0.52 0.00 0.00 175.17 175.88 1yeq n LEU 48 N 8.51 4.52 -4.83 -1.34 4.77 -1.26 -4.52 117.00 122.86 1yeq n LEU 48 Ca 0.06 -2.32 -0.31 0.00 -0.03 0.00 0.00 56.01 53.40 1yeq n LEU 48 Cb 0.49 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.96 1yeq n LEU 48 CO 0.70 0.59 0.71 -0.94 -1.33 0.00 0.00 177.39 177.12 1yeq s SER 49 N -0.53 5.69 0.10 -1.43 1.04 -1.26 -4.95 113.70 112.36 1yeq s SER 49 Ca 0.37 1.60 -0.31 0.00 0.48 0.00 0.00 55.95 58.10 1yeq s SER 49 Cb 0.29 -2.50 -0.09 0.00 0.10 0.00 0.00 66.02 63.82 1yeq s SER 49 CO 0.10 -1.23 1.77 -2.28 0.98 0.00 0.00 173.24 172.58 1yeq s HIS 50 N -2.96 2.22 0.00 5.02 2.46 -1.26 -1.61 115.29 119.16 1yeq s HIS 50 Ca 0.58 0.09 0.00 0.00 0.47 0.00 0.00 55.06 56.21 1yeq s HIS 50 Cb -0.13 -4.10 0.00 0.00 -0.13 0.00 0.00 32.58 28.22 1yeq s HIS 50 CO 0.51 -4.50 0.00 0.41 -2.47 0.00 0.00 174.74 168.69 1yeq n GLY 51 N 4.15 0.74 3.59 1.59 0.00 -1.26 -5.02 105.19 108.98 1yeq n GLY 51 Ca 0.17 0.00 -0.52 0.00 0.00 0.00 0.00 46.02 45.67 1yeq n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yeq n SER 52 N 0.00 1.62 -0.35 1.61 2.88 -0.63 -4.88 113.62 113.86 1yeq n SER 52 Ca 0.00 1.12 0.07 0.00 -1.33 0.00 0.00 58.87 58.73 1yeq n SER 52 Cb 0.00 -1.19 0.25 0.00 -0.75 0.00 0.00 64.21 62.52 1yeq n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yeq h ALA 53 N 4.45 1.54 -0.25 -1.46 0.00 -1.90 -2.46 119.26 119.17 1yeq h ALA 53 Ca -0.47 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1yeq h ALA 53 Cb 1.34 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.90 1yeq h ALA 53 CO 0.77 0.23 0.07 1.96 0.00 0.00 0.00 179.25 182.28 1yeq h GLN 54 N 0.99 0.40 -0.01 0.00 4.20 -1.90 -2.28 115.11 116.51 1yeq h GLN 54 Ca 0.48 -0.09 0.03 0.00 0.06 0.00 0.00 58.65 59.12 1yeq h GLN 54 Cb 0.45 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.15 1yeq h GLN 54 CO -0.24 0.49 -0.17 0.28 -0.67 0.00 0.00 178.83 178.53 1yeq h VAL 55 N 0.24 0.60 -0.76 -0.54 2.07 -1.69 0.01 116.25 116.18 1yeq h VAL 55 Ca 0.08 0.00 0.14 0.00 0.82 0.00 0.00 66.70 67.74 1yeq h VAL 55 Cb 0.26 0.60 -0.09 0.00 -1.52 0.00 0.00 31.29 30.54 1yeq h VAL 55 CO -0.00 0.00 0.32 0.11 0.02 0.00 0.00 177.57 178.02 1yeq h LYS 56 N -0.27 0.45 -0.16 1.57 1.79 -1.41 0.39 116.57 118.93 1yeq h LYS 56 Ca 0.06 -0.03 -0.08 0.00 -2.18 0.00 0.00 60.65 58.42 1yeq h LYS 56 Cb 0.34 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.89 1yeq h LYS 56 CO -0.16 0.30 -0.21 0.78 -1.08 0.00 0.00 179.45 179.08 1yeq h GLY 57 N 0.46 0.46 1.02 3.86 0.00 -0.96 -2.54 103.07 105.37 1yeq h GLY 57 Ca 0.42 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.22 1yeq h GLY 57 CO -0.40 0.44 0.33 0.84 0.00 0.00 0.00 176.54 177.76 1yeq h HIS 58 N 0.05 1.09 -0.51 5.60 -0.00 -0.62 -2.22 115.15 118.55 1yeq h HIS 58 Ca 0.02 -0.07 0.10 0.00 -0.00 0.00 0.00 60.37 60.43 1yeq h HIS 58 Cb 0.76 -0.33 -0.10 0.00 -0.00 0.00 0.00 27.41 27.74 1yeq h HIS 58 CO 0.09 0.82 -0.21 0.78 -0.00 0.00 0.00 177.93 179.41 1yeq h GLY 59 N 1.05 0.18 0.77 5.26 0.00 -0.09 0.34 103.07 110.57 1yeq h GLY 59 Ca 0.25 0.27 0.03 0.00 0.00 0.00 0.00 47.33 47.88 1yeq h GLY 59 CO -0.03 -0.22 0.01 1.70 0.00 0.00 0.00 176.54 178.01 1yeq h LYS 60 N -0.09 0.07 -0.99 4.80 3.64 -1.10 0.12 116.57 123.02 1yeq h LYS 60 Ca 0.24 -0.00 0.11 0.00 -1.27 0.00 0.00 60.65 59.72 1yeq h LYS 60 Cb 0.46 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.19 1yeq h LYS 60 CO -0.57 0.04 0.63 0.87 -2.27 0.00 0.00 179.45 178.15 1yeq h LYS 61 N 0.07 0.97 0.22 1.90 1.57 -0.56 0.89 116.57 121.63 1yeq h LYS 61 Ca 0.08 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1yeq h LYS 61 Cb 0.09 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.18 1yeq h LYS 61 CO -0.12 0.64 -0.10 0.28 -0.57 0.00 0.00 179.45 179.57 1yeq h VAL 62 N 1.00 0.86 -0.86 0.50 2.07 0.61 -2.30 116.25 118.13 1yeq h VAL 62 Ca 0.47 -0.73 0.04 0.00 0.82 0.00 0.00 66.70 67.31 1yeq h VAL 62 Cb 0.44 1.26 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1yeq h VAL 62 CO -0.24 0.15 0.56 0.00 0.02 0.00 0.00 177.57 178.07 1yeq h ALA 63 N -0.03 1.49 -0.29 1.67 0.00 -0.19 -1.38 119.26 120.54 1yeq h ALA 63 Ca -0.03 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.79 1yeq h ALA 63 Cb 0.48 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1yeq h ALA 63 CO 0.05 0.41 -0.04 -0.44 0.00 0.00 0.00 179.25 179.23 1yeq h ASP 64 N 1.04 0.42 -0.16 0.00 3.32 0.86 -2.03 116.42 119.87 1yeq h ASP 64 Ca 0.35 -0.08 -0.02 0.00 0.02 0.00 0.00 57.03 57.29 1yeq h ASP 64 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1yeq h ASP 64 CO -0.11 0.52 0.01 0.00 -1.72 0.00 0.00 179.24 177.94 1yeq h ALA 65 N 1.54 0.21 -1.00 3.45 0.00 -0.68 -2.44 119.26 120.33 1yeq h ALA 65 Ca 0.09 -0.18 0.01 0.00 0.00 0.00 0.00 54.91 54.83 1yeq h ALA 65 Cb 0.34 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1yeq h ALA 65 CO 0.01 -0.11 0.66 -0.07 0.00 0.00 0.00 179.25 179.75 1yeq h LEU 66 N 0.03 1.15 -0.37 0.00 3.38 -1.19 -2.34 115.31 115.96 1yeq h LEU 66 Ca 0.05 -0.03 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1yeq h LEU 66 Cb 0.34 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.78 1yeq h LEU 66 CO 0.01 0.83 0.24 0.74 0.09 0.00 0.00 178.44 180.34 1yeq h THR 67 N 1.35 1.08 0.00 0.22 2.02 -1.28 -1.63 112.91 114.67 1yeq h THR 67 Ca 0.37 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.36 1yeq h THR 67 Cb -0.15 0.55 -0.00 0.00 -1.74 0.00 0.00 68.15 66.81 1yeq h THR 67 CO -0.08 0.09 -0.08 -1.13 0.37 0.00 0.00 175.52 174.68 1yeq h ASN 68 N 0.49 0.00 0.33 4.18 -1.24 -0.98 -1.61 115.58 116.75 1yeq h ASN 68 Ca 0.14 0.00 -0.21 0.00 0.71 0.00 0.00 56.30 56.94 1yeq h ASN 68 Cb -0.04 0.00 -0.00 0.00 0.73 0.00 0.00 38.32 39.01 1yeq h ASN 68 CO -0.04 0.08 -0.88 0.00 -1.29 0.00 0.00 177.43 175.30 1yeq h ALA 69 N 1.92 0.43 0.00 1.57 0.00 -0.82 -2.79 119.26 119.58 1yeq h ALA 69 Ca -0.00 -0.69 -0.00 0.00 0.00 0.00 0.00 54.91 54.22 1yeq h ALA 69 Cb 0.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yeq h ALA 69 CO 0.01 0.81 -0.00 0.28 0.00 0.00 0.00 179.25 180.35 1yeq h VAL 70 N 0.23 1.06 -1.02 0.00 2.07 -0.65 -0.67 116.25 117.28 1yeq h VAL 70 Ca -0.06 -0.18 0.26 0.00 0.82 0.00 0.00 66.70 67.53 1yeq h VAL 70 Cb 1.50 1.18 -0.08 0.00 -1.52 0.00 0.00 31.29 32.38 1yeq h VAL 70 CO 0.15 0.05 0.67 0.00 0.02 0.00 0.00 177.57 178.46 1yeq h ALA 71 N 0.91 2.33 -1.35 1.67 0.00 -1.24 -0.58 119.26 120.99 1yeq h ALA 71 Ca -0.00 0.04 -0.60 0.00 0.00 0.00 0.00 54.91 54.35 1yeq h ALA 71 Cb 0.08 0.02 -0.40 0.00 0.00 0.00 0.00 17.79 17.49 1yeq h ALA 71 CO 0.00 -0.69 -0.54 0.72 0.00 0.00 0.00 179.25 178.73 1yeq n HIS 72 N -4.55 3.28 0.27 0.00 8.25 -0.89 -4.86 115.22 116.72 1yeq n HIS 72 Ca 0.24 -2.91 0.18 0.00 -0.26 0.00 0.00 57.72 54.97 1yeq n HIS 72 Cb 0.87 -0.25 0.98 0.00 1.12 0.00 0.00 29.99 32.72 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 2.44 0.00 -0.12 1.59 3.04 0.44 -1.27 116.25 122.37 1yeq h VAL 73 Ca 0.34 -0.01 0.00 0.00 -1.01 0.00 0.00 66.70 66.02 1yeq h VAL 73 Cb 0.92 0.81 0.00 0.00 -2.01 0.00 0.00 31.29 31.01 1yeq h VAL 73 CO 0.91 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.94 1yeq n ASP 74 N -2.77 1.61 -2.73 3.17 8.00 -1.26 -4.20 116.55 118.38 1yeq n ASP 74 Ca -0.02 -1.64 -0.01 0.00 0.71 0.00 0.00 54.79 53.82 1yeq n ASP 74 Cb 0.06 -0.07 0.10 0.00 -0.02 0.00 0.00 41.12 41.19 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 0.27 -0.48 -0.32 -2.24 2.03 -0.50 -4.98 116.55 110.34 1yeq n ASP 75 Ca 0.17 -2.16 0.07 0.00 0.52 0.00 0.00 54.79 53.39 1yeq n ASP 75 Cb 0.34 0.31 0.27 0.00 -0.72 0.00 0.00 41.12 41.31 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 1.53 0.93 0.00 -0.67 2.86 -1.68 0.32 114.93 118.22 1yeq h MET 76 Ca -0.35 -0.06 -0.01 0.00 -2.06 0.00 0.00 59.70 57.22 1yeq h MET 76 Cb 1.29 -0.21 -0.00 0.00 0.06 0.00 0.00 31.60 32.74 1yeq h MET 76 CO -0.07 0.61 -0.06 -1.35 1.06 0.00 0.00 176.91 177.11 1yeq h PRO 77 N 0.96 0.00 0.01 -0.22 0.11 -1.93 0.17 132.00 131.09 1yeq h PRO 77 Ca 0.44 0.00 -0.36 0.00 0.11 0.00 0.00 66.00 66.20 1yeq h PRO 77 Cb 0.41 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.46 1yeq h PRO 77 CO -0.20 0.06 -2.26 0.09 -0.21 0.00 0.00 178.00 175.48 1yeq n ASN 78 N -3.76 0.60 -0.15 -2.05 3.02 -0.74 -3.55 115.26 108.64 1yeq n ASN 78 Ca -0.02 0.07 -0.10 0.00 -0.03 0.00 0.00 54.58 54.49 1yeq n ASN 78 Cb 0.15 0.47 -0.01 0.00 -0.61 0.00 0.00 39.78 39.79 1yeq n ASN 78 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1yeq h ALA 79 N 0.79 0.59 -0.32 5.41 0.00 -0.43 -2.92 119.26 122.37 1yeq h ALA 79 Ca -0.50 -0.26 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1yeq h ALA 79 Cb 2.14 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 19.77 1yeq h ALA 79 CO 0.02 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.92 1yeq n LEU 80 N -4.41 2.23 -0.01 0.00 4.77 0.55 -4.58 117.00 115.55 1yeq n LEU 80 Ca -0.00 -1.02 -0.00 0.00 -0.03 0.00 0.00 56.01 54.95 1yeq n LEU 80 Cb 0.29 -0.21 -0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1yeq n LEU 80 CO 0.41 0.51 0.18 -0.24 -1.33 0.00 0.00 177.39 176.92 1yeq n SER 81 N 0.70 -0.03 -0.16 -1.43 2.88 -1.10 -1.20 113.62 113.28 1yeq n SER 81 Ca 0.16 0.38 -0.03 0.00 -1.33 0.00 0.00 58.87 58.05 1yeq n SER 81 Cb 0.39 -0.17 0.03 0.00 -0.75 0.00 0.00 64.21 63.71 1yeq n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yeq h ALA 82 N -0.31 0.33 -0.79 -1.46 0.00 -1.85 -0.73 119.26 114.46 1yeq h ALA 82 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.12 1yeq h ALA 82 Cb 0.01 0.36 -0.04 0.00 0.00 0.00 0.00 17.79 18.12 1yeq h ALA 82 CO -0.03 -0.44 0.52 -0.07 0.00 0.00 0.00 179.25 179.23 1yeq h LEU 83 N 0.01 0.87 0.45 0.00 3.38 -1.50 -1.68 115.31 116.82 1yeq h LEU 83 Ca 0.24 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1yeq h LEU 83 Cb 0.36 -0.21 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1yeq h LEU 83 CO -0.50 0.61 -0.51 -1.28 0.09 0.00 0.00 178.44 176.86 1yeq h SER 84 N 1.02 -1.42 -0.17 -0.43 0.87 -0.24 0.39 113.55 113.58 1yeq h SER 84 Ca 0.30 0.12 0.05 0.00 -1.23 0.00 0.00 61.79 61.03 1yeq h SER 84 Cb -0.04 0.48 -0.06 0.00 -0.44 0.00 0.00 62.40 62.34 1yeq h SER 84 CO -0.08 -0.65 -0.27 0.44 -0.53 0.00 0.00 176.83 175.73 1yeq h ASP 85 N -0.97 -0.86 -0.54 6.23 5.19 -1.16 -1.25 116.42 123.06 1yeq h ASP 85 Ca -0.05 0.14 0.11 0.00 -0.62 0.00 0.00 57.03 56.60 1yeq h ASP 85 Cb 0.86 0.38 -0.11 0.00 0.18 0.00 0.00 39.33 40.64 1yeq h ASP 85 CO -0.10 -0.32 -0.24 0.25 -3.12 0.00 0.00 179.24 175.72 1yeq h LEU 86 N -0.32 -0.84 -1.02 1.55 6.46 -1.01 1.00 115.31 121.12 1yeq h LEU 86 Ca 0.11 0.19 -0.02 0.00 -0.12 0.00 0.00 57.88 58.05 1yeq h LEU 86 Cb 0.50 0.46 -0.00 0.00 -0.73 0.00 0.00 40.66 40.88 1yeq h LEU 86 CO -0.35 -0.26 -0.09 0.45 -0.62 0.00 0.00 178.44 177.57 1yeq h HIS 87 N -0.11 0.00 0.00 1.25 3.86 -0.32 -1.86 115.15 117.97 1yeq h HIS 87 Ca 0.24 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.45 1yeq h HIS 87 Cb 0.50 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.97 1yeq h HIS 87 CO -0.54 0.09 -1.32 0.00 0.86 0.00 0.00 177.93 177.02 1yeq n ALA 88 N -2.14 2.81 -0.05 2.45 0.00 -0.53 -1.69 120.51 121.37 1yeq n ALA 88 Ca 0.01 -0.33 -0.06 0.00 0.00 0.00 0.00 53.44 53.06 1yeq n ALA 88 Cb 0.40 -0.45 -0.04 0.00 0.00 0.00 0.00 19.45 19.36 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 -1.77 0.00 -0.07 0.00 8.25 0.26 -4.40 115.22 117.48 1yeq n HIS 89 Ca -0.01 0.00 -0.06 0.00 -0.26 0.00 0.00 57.72 57.39 1yeq n HIS 89 Cb 0.30 -0.35 -0.03 0.00 1.12 0.00 0.00 29.99 31.03 1yeq n HIS 89 CO 0.00 0.00 0.00 -0.22 0.64 0.00 0.00 176.34 176.76 1yeq h LYS 90 N 0.00 0.00 0.04 -0.41 3.64 -1.61 -3.41 116.57 114.81 1yeq h LYS 90 Ca -0.21 0.00 -0.21 0.00 -1.27 0.00 0.00 60.65 58.97 1yeq h LYS 90 Cb 1.32 0.00 0.02 0.00 -0.41 0.00 0.00 32.23 33.16 1yeq h LYS 90 CO -0.03 0.12 -0.84 -0.07 -2.27 0.00 0.00 179.45 176.36 1yeq h LEU 91 N -1.00 0.67 -2.21 5.20 3.38 -1.55 -3.49 115.31 116.32 1yeq h LEU 91 Ca -0.04 -0.79 -0.29 0.00 0.09 0.00 0.00 57.88 56.85 1yeq h LEU 91 Cb 0.55 -0.21 0.18 0.00 0.09 0.00 0.00 40.66 41.27 1yeq h LEU 91 CO -0.02 1.38 -0.83 0.54 0.09 0.00 0.00 178.44 179.59 1yeq n ARG 92 N -4.05 -3.70 -2.80 1.13 1.74 -0.68 -4.96 116.66 103.33 1yeq n ARG 92 Ca -0.12 0.83 -0.42 0.00 -0.77 0.00 0.00 57.85 57.37 1yeq n ARG 92 Cb 0.79 -5.72 -0.03 0.00 -1.02 0.00 0.00 32.46 26.48 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 -3.40 4.83 0.22 1.55 1.01 -0.87 -5.02 120.40 118.72 1yeq s VAL 93 Ca 0.29 1.82 -0.31 0.00 0.00 0.00 0.00 61.98 63.78 1yeq s VAL 93 Cb -0.04 -4.22 -0.11 0.00 0.00 0.00 0.00 36.38 32.01 1yeq s VAL 93 CO 0.75 -0.00 1.64 -0.62 0.00 0.00 0.00 175.10 176.86 1yeq s ASP 94 N 1.13 6.45 0.52 3.32 -1.08 -1.26 -4.90 116.67 120.85 1yeq s ASP 94 Ca 0.42 2.81 0.35 0.00 -0.52 0.00 0.00 52.55 55.62 1yeq s ASP 94 Cb -0.17 -2.61 1.51 0.00 -1.46 0.00 0.00 42.92 40.19 1yeq s ASP 94 CO 0.14 -0.91 1.78 -0.65 0.52 0.00 0.00 175.17 176.05 1yeq h PRO 95 N 6.24 0.05 -0.24 4.34 0.11 -1.97 -2.14 132.00 138.38 1yeq h PRO 95 Ca -0.44 -0.00 0.07 0.00 0.11 0.00 0.00 66.00 65.74 1yeq h PRO 95 Cb 1.21 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.30 1yeq h PRO 95 CO 0.90 0.03 0.18 -0.39 -0.21 0.00 0.00 178.00 178.51 1yeq h VAL 96 N 0.05 0.87 -0.44 3.15 -1.51 -2.02 -1.59 116.25 114.77 1yeq h VAL 96 Ca 0.60 0.00 -0.06 0.00 -1.23 0.00 0.00 66.70 66.01 1yeq h VAL 96 Cb 2.26 0.88 -0.02 0.00 -2.13 0.00 0.00 31.29 32.28 1yeq h VAL 96 CO -0.06 0.00 0.02 0.78 -1.23 0.00 0.00 177.57 177.09 1yeq h ASN 97 N 0.00 0.66 -0.32 4.19 4.21 -1.76 -2.72 115.58 119.83 1yeq h ASN 97 Ca 0.12 -0.14 -0.03 0.00 1.21 0.00 0.00 56.30 57.45 1yeq h ASN 97 Cb 0.47 -0.17 -0.02 0.00 -1.12 0.00 0.00 38.32 37.48 1yeq h ASN 97 CO -0.00 0.71 0.10 -0.26 -1.29 0.00 0.00 177.43 176.69 1yeq h PHE 98 N 0.66 0.59 -0.30 1.19 -1.00 -1.46 -1.07 116.94 115.55 1yeq h PHE 98 Ca 0.14 -0.04 -0.06 0.00 2.81 0.00 0.00 57.97 60.82 1yeq h PHE 98 Cb 0.38 -0.18 -0.02 0.00 3.61 0.00 0.00 35.95 39.74 1yeq h PHE 98 CO 0.02 0.51 -0.05 0.87 -1.61 0.00 0.00 178.31 178.05 1yeq h LYS 99 N 0.58 0.48 -0.13 1.51 1.57 -1.54 -2.02 116.57 117.01 1yeq h LYS 99 Ca 0.13 -0.11 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1yeq h LYS 99 Cb 0.22 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.46 1yeq h LYS 99 CO -0.00 0.55 -0.35 -0.07 -0.57 0.00 0.00 179.45 179.01 1yeq h LEU 100 N 0.46 0.53 -0.52 2.94 3.38 -1.12 -2.09 115.31 118.89 1yeq h LEU 100 Ca 0.09 -0.59 -0.02 0.00 0.09 0.00 0.00 57.88 57.45 1yeq h LEU 100 Cb 0.38 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1yeq h LEU 100 CO 0.02 1.02 0.23 0.25 0.09 0.00 0.00 178.44 180.05 1yeq h LEU 101 N 0.07 0.70 -0.52 1.67 5.85 -1.26 -1.27 115.31 120.55 1yeq h LEU 101 Ca -0.01 -0.15 0.02 0.00 0.84 0.00 0.00 57.88 58.59 1yeq h LEU 101 Cb 0.96 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.78 1yeq h LEU 101 CO 0.08 0.66 0.31 0.28 -0.34 0.00 0.00 178.44 179.42 1yeq h SER 102 N 0.70 0.50 -0.27 1.25 0.02 -1.36 0.25 113.55 114.64 1yeq h SER 102 Ca 0.18 0.00 0.06 0.00 -0.84 0.00 0.00 61.79 61.19 1yeq h SER 102 Cb 0.16 -0.10 -0.06 0.00 0.14 0.00 0.00 62.40 62.54 1yeq h SER 102 CO -0.02 0.36 -0.09 -0.74 -1.14 0.00 0.00 176.83 175.20 1yeq h HIS 103 N 0.62 -0.21 -0.53 3.45 -0.00 -1.10 -0.95 115.15 116.42 1yeq h HIS 103 Ca 0.21 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.59 1yeq h HIS 103 Cb 0.01 0.14 -0.03 0.00 -0.00 0.00 0.00 27.41 27.53 1yeq h HIS 103 CO -0.06 -0.15 0.30 0.00 -0.00 0.00 0.00 177.93 178.01 1yeq h LEU 105 N 0.74 0.20 -0.20 0.00 3.38 0.07 -1.00 115.31 118.49 1yeq h LEU 105 Ca 0.19 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.06 1yeq h LEU 105 Cb 0.01 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 1yeq h LEU 105 CO -0.03 0.30 -0.24 -0.07 0.09 0.00 0.00 178.44 178.49 1yeq h LEU 106 N 0.09 -0.75 -0.29 1.67 3.38 -0.29 -0.26 115.31 118.85 1yeq h LEU 106 Ca 0.05 0.13 0.03 0.00 0.09 0.00 0.00 57.88 58.18 1yeq h LEU 106 Cb 0.16 0.35 -0.03 0.00 0.09 0.00 0.00 40.66 41.23 1yeq h LEU 106 CO -0.00 -0.28 0.09 0.58 0.09 0.00 0.00 178.44 178.92 1yeq h VAL 107 N -0.26 0.91 -0.31 1.22 2.07 -1.09 -1.12 116.25 117.66 1yeq h VAL 107 Ca 0.12 -0.07 0.06 0.00 0.82 0.00 0.00 66.70 67.63 1yeq h VAL 107 Cb 0.45 0.67 -0.02 0.00 -1.52 0.00 0.00 31.29 30.88 1yeq h VAL 107 CO -0.35 0.04 0.22 0.74 0.02 0.00 0.00 177.57 178.23 1yeq h THR 108 N 0.21 0.93 0.16 2.57 2.02 -0.42 -1.62 112.91 116.77 1yeq h THR 108 Ca 0.13 -0.06 -0.33 0.00 0.77 0.00 0.00 66.41 66.92 1yeq h THR 108 Cb 0.11 0.74 0.00 0.00 -1.74 0.00 0.00 68.15 67.27 1yeq h THR 108 CO -0.14 0.03 -1.69 -0.07 0.37 0.00 0.00 175.52 174.01 1yeq h LEU 109 N 0.17 0.54 -2.57 2.58 3.38 -0.58 -3.23 115.31 115.61 1yeq h LEU 109 Ca 0.14 -0.92 -0.00 0.00 0.09 0.00 0.00 57.88 57.19 1yeq h LEU 109 Cb 0.34 -0.18 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1yeq h LEU 109 CO -0.02 1.76 -0.01 0.00 0.09 0.00 0.00 178.44 180.26 1yeq h ALA 110 N 0.07 1.06 0.00 1.53 0.00 -0.88 0.70 119.26 121.74 1yeq h ALA 110 Ca -0.34 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1yeq h ALA 110 Cb 2.01 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1yeq h ALA 110 CO 0.14 0.01 -0.25 0.00 0.00 0.00 0.00 179.25 179.15 1yeq h ALA 111 N 1.99 0.86 0.00 0.00 0.00 -1.35 -3.37 119.26 117.39 1yeq h ALA 111 Ca -0.00 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1yeq h ALA 111 Cb 0.13 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1yeq h ALA 111 CO 0.00 0.00 -1.34 0.72 0.00 0.00 0.00 179.25 178.63 1yeq n HIS 112 N -2.72 0.00 -2.86 0.00 -0.00 0.61 -4.82 115.22 105.43 1yeq n HIS 112 Ca 0.04 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.44 1yeq n HIS 112 Cb 0.50 -0.18 -0.02 0.00 -0.00 0.00 0.00 29.99 30.29 1yeq n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1yeq n LEU 113 N -1.78 5.38 -0.33 2.41 4.32 0.21 -4.93 117.00 122.28 1yeq n LEU 113 Ca -0.02 -5.59 0.13 0.00 -0.02 0.00 0.00 56.01 50.52 1yeq n LEU 113 Cb 0.22 -0.76 0.32 0.00 -1.62 0.00 0.00 43.42 41.59 1yeq n LEU 113 CO 0.15 2.25 1.15 -0.65 -1.22 0.00 0.00 177.39 179.07 1yeq h PRO 114 N 3.42 0.61 0.00 3.23 0.11 -1.83 -2.37 132.00 135.17 1yeq h PRO 114 Ca 0.26 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1yeq h PRO 114 Cb 0.45 -0.14 0.00 0.00 0.11 0.00 0.00 31.00 31.42 1yeq h PRO 114 CO 0.94 0.41 -0.72 0.00 -0.21 0.00 0.00 178.00 178.41 1yeq n ALA 115 N -2.37 4.04 0.47 -0.75 0.00 -1.26 -4.16 120.51 116.48 1yeq n ALA 115 Ca 0.23 -0.45 0.05 0.00 0.00 0.00 0.00 53.44 53.27 1yeq n ALA 115 Cb 0.61 -0.97 -0.02 0.00 0.00 0.00 0.00 19.45 19.07 1yeq n ALA 115 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 1yeq n GLU 116 N -1.52 2.72 -2.01 0.00 0.00 -0.94 -4.73 120.64 114.17 1yeq n GLU 116 Ca 0.05 -0.37 -0.41 0.00 0.00 0.00 0.00 57.16 56.43 1yeq n GLU 116 Cb 0.34 -1.05 -0.00 0.00 0.00 0.00 0.00 31.44 30.72 1yeq n GLU 116 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.13 177.47 1yeq n PHE 117 N -0.65 2.79 -2.18 -1.84 7.35 -0.96 -4.72 117.46 117.25 1yeq n PHE 117 Ca 0.03 -2.86 -0.26 0.00 -0.76 0.00 0.00 57.45 53.61 1yeq n PHE 117 Cb 0.20 -2.03 0.08 0.00 0.35 0.00 0.00 39.48 38.07 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 0.27 2.23 0.11 -2.13 -4.23 -1.26 -4.81 115.64 105.82 1yeq s THR 118 Ca 0.50 -0.25 -0.34 0.00 -1.18 0.00 0.00 61.69 60.41 1yeq s THR 118 Cb 0.15 -2.98 -0.14 0.00 1.34 0.00 0.00 72.50 70.86 1yeq s THR 118 CO -0.05 0.00 1.56 -0.65 -0.54 0.00 0.00 174.62 174.94 1yeq h PRO 119 N -0.68 -0.67 -0.99 3.99 0.11 -1.99 -0.01 132.00 131.75 1yeq h PRO 119 Ca -0.44 0.05 0.26 0.00 0.11 0.00 0.00 66.00 65.98 1yeq h PRO 119 Cb 1.31 0.15 -0.13 0.00 0.11 0.00 0.00 31.00 32.44 1yeq h PRO 119 CO 0.59 -0.45 0.56 0.00 -0.21 0.00 0.00 178.00 178.49 1yeq h ALA 120 N -0.45 1.79 -0.03 -0.75 0.00 -1.96 0.53 119.26 118.40 1yeq h ALA 120 Ca 0.01 0.15 -0.25 0.00 0.00 0.00 0.00 54.91 54.82 1yeq h ALA 120 Cb 0.74 0.07 0.01 0.00 0.00 0.00 0.00 17.79 18.61 1yeq h ALA 120 CO -0.34 -0.36 -0.97 0.28 0.00 0.00 0.00 179.25 177.86 1yeq h VAL 121 N 0.49 1.30 -0.90 0.00 2.07 -1.74 -2.95 116.25 114.53 1yeq h VAL 121 Ca 0.66 -2.23 0.08 0.00 0.82 0.00 0.00 66.70 66.02 1yeq h VAL 121 Cb 1.33 2.31 -0.07 0.00 -1.52 0.00 0.00 31.29 33.34 1yeq h VAL 121 CO -0.52 0.69 0.56 -0.74 0.02 0.00 0.00 177.57 177.58 1yeq h HIS 122 N 0.39 1.02 -0.16 1.57 6.17 0.10 0.72 115.15 124.97 1yeq h HIS 122 Ca -0.10 0.03 -0.09 0.00 0.71 0.00 0.00 60.37 60.92 1yeq h HIS 122 Cb 1.61 -0.33 -0.01 0.00 2.52 0.00 0.00 27.41 31.20 1yeq h HIS 122 CO 0.09 0.49 -0.29 0.00 0.71 0.00 0.00 177.93 178.93 1yeq h ALA 123 N 1.44 1.22 -0.08 5.26 0.00 -1.30 -2.40 119.26 123.40 1yeq h ALA 123 Ca 0.41 -0.33 -0.22 0.00 0.00 0.00 0.00 54.91 54.76 1yeq h ALA 123 Cb 0.25 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 17.95 1yeq h ALA 123 CO -0.20 0.51 -0.83 0.77 0.00 0.00 0.00 179.25 179.50 1yeq h SER 124 N 0.26 0.72 0.45 0.00 0.02 -0.76 -2.43 113.55 111.81 1yeq h SER 124 Ca 0.04 -0.51 -0.14 0.00 -0.84 0.00 0.00 61.79 60.34 1yeq h SER 124 Cb 0.65 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 62.96 1yeq h SER 124 CO 0.05 1.29 -0.62 -0.07 -1.14 0.00 0.00 176.83 176.34 1yeq h LEU 125 N 0.38 0.18 0.06 5.07 3.38 -0.96 0.10 115.31 123.52 1yeq h LEU 125 Ca -0.06 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.80 1yeq h LEU 125 Cb 1.45 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 42.15 1yeq h LEU 125 CO 0.16 0.75 -0.03 -0.78 0.09 0.00 0.00 178.44 178.63 1yeq h ASP 126 N 0.12 -0.06 -0.48 -0.43 3.58 -1.44 0.17 116.42 117.87 1yeq h ASP 126 Ca -0.01 -0.32 0.02 0.00 0.42 0.00 0.00 57.03 57.15 1yeq h ASP 126 Cb 1.11 0.02 -0.03 0.00 1.72 0.00 0.00 39.33 42.15 1yeq h ASP 126 CO 0.09 0.29 0.28 0.11 -2.88 0.00 0.00 179.24 177.13 1yeq h LYS 127 N -0.42 0.54 0.14 0.28 1.57 -1.36 0.12 116.57 117.44 1yeq h LYS 127 Ca -0.01 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.74 1yeq h LYS 127 Cb 0.38 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.56 1yeq h LYS 127 CO 0.01 0.36 -0.12 0.35 -0.57 0.00 0.00 179.45 179.49 1yeq h PHE 128 N 0.56 -0.30 -0.06 -1.35 3.57 -0.79 -1.00 116.94 117.57 1yeq h PHE 128 Ca 0.19 0.00 -0.03 0.00 3.53 0.00 0.00 57.97 61.66 1yeq h PHE 128 Cb 0.03 0.11 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1yeq h PHE 128 CO -0.07 -0.18 -0.12 -0.07 -2.23 0.00 0.00 178.31 175.64 1yeq h LEU 129 N -0.27 0.09 -0.94 0.59 3.38 -0.35 0.21 115.31 118.02 1yeq h LEU 129 Ca -0.00 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 1yeq h LEU 129 Cb 0.25 -0.02 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1yeq h LEU 129 CO -0.02 0.22 0.02 0.00 0.09 0.00 0.00 178.44 178.75 1yeq h ALA 130 N 1.79 1.12 -0.11 1.53 0.00 -0.08 -0.68 119.26 122.84 1yeq h ALA 130 Ca 0.02 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1yeq h ALA 130 Cb 0.27 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 17.86 1yeq h ALA 130 CO 0.02 0.56 -0.02 0.77 0.00 0.00 0.00 179.25 180.59 1yeq h SER 131 N 0.75 0.21 -0.65 0.00 0.02 0.30 0.94 113.55 115.11 1yeq h SER 131 Ca 0.15 -0.34 0.03 0.00 -0.84 0.00 0.00 61.79 60.79 1yeq h SER 131 Cb 0.42 -0.06 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1yeq h SER 131 CO 0.02 0.50 0.40 0.58 -1.14 0.00 0.00 176.83 177.19 1yeq h VAL 132 N -0.09 1.07 -0.44 2.27 2.07 -1.06 -1.20 116.25 118.87 1yeq h VAL 132 Ca 0.03 -0.27 0.05 0.00 0.82 0.00 0.00 66.70 67.33 1yeq h VAL 132 Cb 0.41 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1yeq h VAL 132 CO 0.01 0.14 0.18 0.28 0.02 0.00 0.00 177.57 178.20 1yeq h SER 133 N 0.77 0.22 -0.79 0.57 0.02 -0.96 -1.62 113.55 111.76 1yeq h SER 133 Ca 0.27 0.04 -0.05 0.00 -0.84 0.00 0.00 61.79 61.21 1yeq h SER 133 Cb 0.04 0.01 -0.03 0.00 0.14 0.00 0.00 62.40 62.56 1yeq h SER 133 CO -0.12 0.16 0.30 0.74 -1.14 0.00 0.00 176.83 176.78 1yeq h THR 134 N 0.36 1.26 0.29 -2.27 2.02 -0.03 -2.79 112.91 111.76 1yeq h THR 134 Ca 0.20 -0.84 -0.01 0.00 0.77 0.00 0.00 66.41 66.52 1yeq h THR 134 Cb 0.16 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1yeq h THR 134 CO -0.18 0.34 -0.14 0.58 0.37 0.00 0.00 175.52 176.49 1yeq h VAL 135 N 1.15 0.74 0.00 3.16 2.07 -0.86 -1.84 116.25 120.68 1yeq h VAL 135 Ca 0.26 -0.52 0.00 0.00 0.82 0.00 0.00 66.70 67.26 1yeq h VAL 135 Cb 0.24 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1yeq h VAL 135 CO -0.02 0.10 0.08 0.18 0.02 0.00 0.00 177.57 177.94 1yeq n LEU 136 N -5.14 0.00 -0.00 2.57 4.77 -0.64 -1.71 117.00 116.84 1yeq n LEU 136 Ca -0.10 0.36 0.01 0.00 -0.03 0.00 0.00 56.01 56.26 1yeq n LEU 136 Cb 0.25 -0.36 -0.02 0.00 -2.33 0.00 0.00 43.42 40.96 1yeq n LEU 136 CO 0.32 -0.36 -0.11 0.41 -1.33 0.00 0.00 177.39 176.32 1yeq n THR 137 N -1.35 0.00 0.13 -5.08 -1.04 -1.04 -4.48 114.28 101.42 1yeq n THR 137 Ca 0.00 -0.36 -0.14 0.00 -2.04 0.00 0.00 64.05 61.51 1yeq n THR 137 Cb 0.08 0.89 -0.07 0.00 -1.82 0.00 0.00 70.33 69.42 1yeq n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1yeq h SER 138 N 0.00 -1.02 0.00 8.00 4.64 -0.48 -3.02 113.55 121.67 1yeq h SER 138 Ca 0.00 0.11 -0.16 0.00 -0.47 0.00 0.00 61.79 61.27 1yeq h SER 138 Cb 0.07 0.38 -0.06 0.00 -0.31 0.00 0.00 62.40 62.48 1yeq h SER 138 CO 0.00 -0.44 -0.30 0.29 -0.87 0.00 0.00 176.83 175.51 1yeq n LYS 139 N -5.44 1.78 0.00 4.77 5.02 -1.26 -4.44 118.16 118.59 1yeq n LYS 139 Ca -0.07 -0.84 0.13 0.00 -2.02 0.00 0.00 58.31 55.50 1yeq n LYS 139 Cb 0.35 -1.87 0.39 0.00 -0.02 0.00 0.00 35.03 33.87 1yeq n LYS 139 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1yeq n TYR 140 N 2.43 0.00 -0.81 2.13 9.36 -1.14 -4.74 117.16 124.39 1yeq n TYR 140 Ca 0.36 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.58 1yeq n TYR 140 Cb 0.82 -0.31 0.00 0.00 -0.63 0.00 0.00 39.34 39.22 1yeq n TYR 140 CO 0.00 0.00 0.00 2.89 0.22 0.00 0.00 176.86 179.97