#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y0c s LEU 2 N 0.00 4.27 0.69 4.03 1.43 -1.26 -5.04 118.68 122.80 1y0c s LEU 2 Ca 0.00 1.58 -0.09 0.00 -1.03 0.00 0.00 54.13 54.59 1y0c s LEU 2 Cb 0.00 -3.56 0.04 0.00 0.03 0.00 0.00 46.19 42.70 1y0c s LEU 2 CO 0.00 -0.43 1.03 -0.94 0.23 0.00 0.00 176.35 176.24 1y0c s SER 3 N 1.11 5.16 0.25 2.29 1.04 -1.26 -4.86 113.70 117.43 1y0c s SER 3 Ca 0.50 0.76 -0.05 0.00 0.48 0.00 0.00 55.95 57.64 1y0c s SER 3 Cb -0.19 -1.52 0.31 0.00 0.10 0.00 0.00 66.02 64.71 1y0c s SER 3 CO 0.20 -1.42 1.91 -0.65 0.98 0.00 0.00 173.24 174.26 1y0c h PRO 4 N -0.56 1.26 -0.57 4.02 0.11 -1.99 0.61 132.00 134.87 1y0c h PRO 4 Ca -0.45 -0.08 -0.05 0.00 0.11 0.00 0.00 66.00 65.54 1y0c h PRO 4 Cb 1.28 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.09 1y0c h PRO 4 CO 0.62 0.83 0.17 0.00 -0.21 0.00 0.00 178.00 179.42 1y0c h ALA 5 N 1.40 0.75 0.42 -0.75 0.00 -1.99 -1.16 119.26 117.93 1y0c h ALA 5 Ca 0.39 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1y0c h ALA 5 Cb -0.05 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 1y0c h ALA 5 CO -0.11 0.42 -0.30 -0.44 0.00 0.00 0.00 179.25 178.81 1y0c h ASP 6 N 0.81 -0.78 -0.67 0.00 3.32 -1.75 0.45 116.42 117.79 1y0c h ASP 6 Ca 0.18 0.06 0.03 0.00 0.02 0.00 0.00 57.03 57.32 1y0c h ASP 6 Cb 0.29 0.25 -0.04 0.00 0.22 0.00 0.00 39.33 40.05 1y0c h ASP 6 CO -0.01 -0.46 0.44 0.11 -1.72 0.00 0.00 179.24 177.60 1y0c h LYS 7 N -0.72 0.77 0.20 3.56 1.57 -0.78 0.36 116.57 121.53 1y0c h LYS 7 Ca -0.04 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.68 1y0c h LYS 7 Cb 0.61 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.74 1y0c h LYS 7 CO 0.01 0.51 -0.09 1.15 -0.57 0.00 0.00 179.45 180.46 1y0c h THR 8 N 0.80 0.87 -0.54 -0.16 2.02 -0.72 -1.02 112.91 114.16 1y0c h THR 8 Ca 0.27 -0.34 0.10 0.00 0.77 0.00 0.00 66.41 67.21 1y0c h THR 8 Cb 0.07 1.08 -0.08 0.00 -1.74 0.00 0.00 68.15 67.48 1y0c h THR 8 CO -0.07 0.08 0.07 0.78 0.37 0.00 0.00 175.52 176.74 1y0c h ASN 9 N -0.43 -0.10 -0.38 4.18 2.35 0.68 -1.34 115.58 120.55 1y0c h ASN 9 Ca -0.03 0.11 -0.04 0.00 -0.55 0.00 0.00 56.30 55.79 1y0c h ASN 9 Cb 0.33 0.18 -0.01 0.00 0.05 0.00 0.00 38.32 38.86 1y0c h ASN 9 CO 0.04 -0.03 0.06 0.58 -1.65 0.00 0.00 177.43 176.44 1y0c h VAL 10 N 0.19 1.24 -0.48 2.81 2.07 -0.85 -1.85 116.25 119.38 1y0c h VAL 10 Ca 0.28 -0.85 -0.06 0.00 0.82 0.00 0.00 66.70 66.89 1y0c h VAL 10 Cb 0.41 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.22 1y0c h VAL 10 CO -0.40 0.29 0.06 0.11 0.02 0.00 0.00 177.57 177.65 1y0c h LYS 11 N 0.47 0.76 0.43 1.57 1.57 -0.79 -1.24 116.57 119.34 1y0c h LYS 11 Ca 0.11 -0.17 -0.02 0.00 -1.87 0.00 0.00 60.65 58.70 1y0c h LYS 11 Cb 0.36 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.57 1y0c h LYS 11 CO 0.01 0.73 -0.21 0.00 -0.57 0.00 0.00 179.45 179.41 1y0c h ALA 12 N 1.34 -0.58 -0.51 3.86 0.00 -1.10 -1.30 119.26 120.97 1y0c h ALA 12 Ca 0.15 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.96 1y0c h ALA 12 Cb 0.35 0.23 -0.07 0.00 0.00 0.00 0.00 17.79 18.30 1y0c h ALA 12 CO 0.01 -0.63 0.14 0.00 0.00 0.00 0.00 179.25 178.76 1y0c h ALA 13 N -0.66 0.60 -0.14 0.00 0.00 -1.29 -1.46 119.26 116.30 1y0c h ALA 13 Ca -0.06 0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1y0c h ALA 13 Cb 0.57 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.44 1y0c h ALA 13 CO 0.10 -0.27 -0.41 2.35 0.00 0.00 0.00 179.25 181.02 1y0c h TRP 14 N 0.29 0.38 -0.55 0.00 2.91 -1.31 -2.77 115.95 114.91 1y0c h TRP 14 Ca 0.25 -0.11 0.09 0.00 1.13 0.00 0.00 58.89 60.26 1y0c h TRP 14 Cb 0.32 -0.08 -0.07 0.00 -0.51 0.00 0.00 29.16 28.81 1y0c h TRP 14 CO -0.20 0.69 0.16 0.78 -1.03 0.00 0.00 178.44 178.84 1y0c h GLY 15 N 1.19 0.72 1.90 2.65 0.00 -0.19 0.51 103.07 109.85 1y0c h GLY 15 Ca 0.02 -0.07 -0.09 0.00 0.00 0.00 0.00 47.33 47.20 1y0c h GLY 15 CO 0.07 -0.05 -0.36 0.50 0.00 0.00 0.00 176.54 176.70 1y0c h LYS 16 N 0.31 0.11 -0.16 4.80 1.79 -1.16 -3.17 116.57 119.09 1y0c h LYS 16 Ca 0.28 -0.04 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 1y0c h LYS 16 Cb 0.36 -0.01 -0.05 0.00 -1.58 0.00 0.00 32.23 30.95 1y0c h LYS 16 CO -0.32 0.46 -0.17 0.28 -1.08 0.00 0.00 179.45 178.62 1y0c h VAL 17 N 0.10 0.55 0.00 0.50 2.07 -0.63 -3.46 116.25 115.38 1y0c h VAL 17 Ca 0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.53 1y0c h VAL 17 Cb 0.68 0.55 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 1y0c h VAL 17 CO 0.05 0.00 0.00 0.61 0.02 0.00 0.00 177.57 178.25 1y0c n GLY 18 N -1.32 2.93 0.01 2.17 0.00 -1.12 -2.16 105.19 105.70 1y0c n GLY 18 Ca -0.02 -0.03 0.01 0.00 0.00 0.00 0.00 46.02 45.97 1y0c n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y0c n ALA 19 N 8.80 0.93 1.09 4.61 0.00 -1.26 -2.07 120.51 132.60 1y0c n ALA 19 Ca 0.00 0.01 0.12 0.00 0.00 0.00 0.00 53.44 53.57 1y0c n ALA 19 Cb 0.00 -0.94 0.19 0.00 0.00 0.00 0.00 19.45 18.69 1y0c n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y0c n HIS 20 N -1.51 0.00 -0.27 0.00 -0.00 -0.92 -4.58 115.22 107.94 1y0c n HIS 20 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 57.72 57.80 1y0c n HIS 20 Cb 0.04 -0.12 0.22 0.00 -0.00 0.00 0.00 29.99 30.14 1y0c n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1y0c h ALA 21 N 3.40 1.08 -0.25 -1.41 0.00 -1.53 -1.41 119.26 119.14 1y0c h ALA 21 Ca 0.00 0.19 0.02 0.00 0.00 0.00 0.00 54.91 55.13 1y0c h ALA 21 Cb 0.55 0.27 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1y0c h ALA 21 CO 0.00 -0.39 0.10 0.78 0.00 0.00 0.00 179.25 179.74 1y0c h GLY 22 N 0.25 0.32 0.94 0.00 0.00 -1.84 0.53 103.07 103.26 1y0c h GLY 22 Ca 0.47 -0.06 0.02 0.00 0.00 0.00 0.00 47.33 47.76 1y0c h GLY 22 CO -0.58 0.04 0.55 0.83 0.00 0.00 0.00 176.54 177.38 1y0c h GLU 23 N 0.22 1.07 -0.15 4.80 5.08 -1.66 0.44 114.58 124.39 1y0c h GLU 23 Ca 0.11 -0.06 -0.21 0.00 -1.00 0.00 0.00 59.36 58.20 1y0c h GLU 23 Cb 0.07 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.08 1y0c h GLU 23 CO -0.10 0.71 -0.73 1.88 -1.00 0.00 0.00 179.01 179.76 1y0c h TYR 24 N 1.10 0.90 0.19 4.33 0.05 -0.87 -0.15 116.97 122.53 1y0c h TYR 24 Ca 0.32 -0.39 -0.00 0.00 0.05 0.00 0.00 58.73 58.71 1y0c h TYR 24 Cb -0.06 -0.14 -0.02 0.00 1.01 0.00 0.00 36.73 37.52 1y0c h TYR 24 CO -0.02 1.19 -0.28 0.78 -1.05 0.00 0.00 178.16 178.78 1y0c h GLY 25 N 0.81 -1.09 -0.31 3.88 0.00 0.76 -0.62 103.07 106.51 1y0c h GLY 25 Ca -0.04 0.51 0.14 0.00 0.00 0.00 0.00 47.33 47.95 1y0c h GLY 25 CO 0.14 -0.34 -0.12 0.00 0.00 0.00 0.00 176.54 176.23 1y0c h ALA 26 N -1.17 0.52 -0.52 3.60 0.00 -0.89 -1.81 119.26 118.98 1y0c h ALA 26 Ca -0.02 0.25 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1y0c h ALA 26 Cb 0.45 0.47 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 1y0c h ALA 26 CO -0.09 -0.42 0.07 1.49 0.00 0.00 0.00 179.25 180.31 1y0c h GLU 27 N 0.03 0.83 -0.69 0.00 4.81 -0.69 -0.96 114.58 117.92 1y0c h GLU 27 Ca 0.34 -0.20 -0.06 0.00 -0.13 0.00 0.00 59.36 59.31 1y0c h GLU 27 Cb 0.54 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.77 1y0c h GLU 27 CO -0.66 0.79 0.19 0.00 -0.73 0.00 0.00 179.01 178.60 1y0c h ALA 28 N 1.29 1.03 -0.21 2.92 0.00 -0.32 -0.28 119.26 123.70 1y0c h ALA 28 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y0c h ALA 28 Cb 0.37 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1y0c h ALA 28 CO 0.01 0.64 -0.01 -0.07 0.00 0.00 0.00 179.25 179.83 1y0c h LEU 29 N 1.04 0.37 -0.79 0.00 3.38 -0.94 -0.70 115.31 117.67 1y0c h LEU 29 Ca 0.22 -0.32 0.07 0.00 0.09 0.00 0.00 57.88 57.94 1y0c h LEU 29 Cb 0.33 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 1y0c h LEU 29 CO -0.00 0.59 0.47 -0.08 0.09 0.00 0.00 178.44 179.51 1y0c h GLU 30 N 0.13 0.82 -0.17 1.13 4.81 -0.91 0.12 114.58 120.51 1y0c h GLU 30 Ca 0.06 -0.05 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 1y0c h GLU 30 Cb 0.41 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.59 1y0c h GLU 30 CO 0.01 0.54 -0.24 0.00 -0.73 0.00 0.00 179.01 178.60 1y0c h ARG 31 N 0.85 0.30 -0.14 1.92 3.08 -0.81 -2.53 114.38 117.04 1y0c h ARG 31 Ca 0.35 -0.10 -0.16 0.00 0.07 0.00 0.00 59.98 60.14 1y0c h ARG 31 Cb 0.21 -0.03 0.01 0.00 0.08 0.00 0.00 29.97 30.24 1y0c h ARG 31 CO -0.19 0.53 -0.55 1.98 -1.07 0.00 0.00 179.97 180.67 1y0c h MET 32 N 0.27 0.62 -0.73 0.04 4.05 0.52 -1.46 114.93 118.24 1y0c h MET 32 Ca 0.04 -0.48 -0.03 0.00 -0.28 0.00 0.00 59.70 58.96 1y0c h MET 32 Cb 0.57 0.09 -0.03 0.00 -0.80 0.00 0.00 31.60 31.43 1y0c h MET 32 CO 0.04 1.10 0.35 0.74 0.23 0.00 0.00 176.91 179.37 1y0c h PHE 33 N 0.27 1.03 0.01 1.39 0.04 -0.71 0.35 116.94 119.32 1y0c h PHE 33 Ca -0.03 -0.04 -0.13 0.00 2.80 0.00 0.00 57.97 60.57 1y0c h PHE 33 Cb 1.18 -0.32 0.01 0.00 2.20 0.00 0.00 35.95 39.02 1y0c h PHE 33 CO 0.10 0.75 -0.52 -0.07 -0.60 0.00 0.00 178.31 177.97 1y0c h LEU 34 N 1.03 0.43 0.13 1.54 3.38 -1.48 -3.21 115.31 117.13 1y0c h LEU 34 Ca 0.25 -0.79 -0.29 0.00 0.09 0.00 0.00 57.88 57.14 1y0c h LEU 34 Cb 0.10 -0.13 0.01 0.00 0.09 0.00 0.00 40.66 40.74 1y0c h LEU 34 CO -0.03 1.17 -1.28 0.28 0.09 0.00 0.00 178.44 178.67 1y0c h SER 35 N -0.26 0.55 -2.93 -0.43 0.02 -1.19 -3.39 113.55 105.93 1y0c h SER 35 Ca -0.07 -0.57 -0.61 0.00 -0.84 0.00 0.00 61.79 59.70 1y0c h SER 35 Cb 1.26 -0.18 -0.41 0.00 0.14 0.00 0.00 62.40 63.22 1y0c h SER 35 CO 0.10 1.44 -0.71 -0.36 -1.14 0.00 0.00 176.83 176.16 1y0c s PHE 36 N -2.70 2.70 0.67 3.45 0.40 0.12 -4.96 117.98 117.66 1y0c s PHE 36 Ca -0.05 -2.97 0.42 0.00 -0.60 0.00 0.00 56.93 53.72 1y0c s PHE 36 Cb 0.06 -2.10 2.27 0.00 0.51 0.00 0.00 43.02 43.76 1y0c s PHE 36 CO 0.90 -0.65 2.28 -1.00 0.70 0.00 0.00 175.22 177.45 1y0c h PRO 37 N 5.58 0.00 0.00 0.24 0.13 -1.71 -0.83 132.00 135.40 1y0c h PRO 37 Ca 0.17 0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 65.27 1y0c h PRO 37 Cb 0.82 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.94 1y0c h PRO 37 CO 0.60 0.00 -0.12 1.79 -0.23 0.00 0.00 178.00 180.03 1y0c h THR 38 N 0.00 0.44 0.00 1.56 1.35 -1.90 -2.70 112.91 111.66 1y0c h THR 38 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1y0c h THR 38 Cb 0.14 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 1y0c h THR 38 CO -0.00 0.12 0.00 0.71 -0.25 0.00 0.00 175.52 176.10 1y0c h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.46 -2.52 112.91 117.10 1y0c h THR 39 Ca -0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1y0c h THR 39 Cb 0.44 1.18 0.00 0.00 -1.73 0.00 0.00 68.15 68.04 1y0c h THR 39 CO 0.02 0.00 0.00 0.29 -0.25 0.00 0.00 175.52 175.58 1y0c n LYS 40 N -2.76 0.21 0.23 4.72 5.02 -1.02 -2.93 118.16 121.63 1y0c n LYS 40 Ca 0.00 0.37 0.15 0.00 -2.02 0.00 0.00 58.31 56.82 1y0c n LYS 40 Cb 0.22 -1.85 0.80 0.00 -0.02 0.00 0.00 35.03 34.18 1y0c n LYS 40 CO 0.00 0.00 0.00 1.79 -0.52 0.00 0.00 177.40 178.67 1y0c h THR 41 N 0.00 0.00 -0.02 -0.18 1.35 -1.65 -1.21 112.91 111.19 1y0c h THR 41 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1y0c h THR 41 Cb 0.45 0.76 0.00 0.00 -1.73 0.00 0.00 68.15 67.64 1y0c h THR 41 CO 0.00 0.00 -0.10 -1.22 -0.25 0.00 0.00 175.52 173.95 1y0c n TYR 42 N -2.58 0.00 -2.56 4.73 4.01 -1.15 -4.41 117.16 115.20 1y0c n TYR 42 Ca -0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.58 1y0c n TYR 42 Cb 0.08 -0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.12 1y0c n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y0c n PHE 43 N 0.69 2.06 0.28 -0.72 3.01 -0.46 -4.87 117.46 117.45 1y0c n PHE 43 Ca 0.14 -2.73 0.16 0.00 1.01 0.00 0.00 57.45 56.02 1y0c n PHE 43 Cb 0.50 -0.26 0.80 0.00 -0.01 0.00 0.00 39.48 40.51 1y0c n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y0c h PRO 44 N 2.72 0.00 -0.27 -1.08 0.13 -1.77 -2.47 132.00 129.26 1y0c h PRO 44 Ca 0.07 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.20 1y0c h PRO 44 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1y0c h PRO 44 CO 0.59 0.07 0.00 -2.39 -0.23 0.00 0.00 178.00 176.04 1y0c n HIS 45 N -3.38 0.36 -4.23 1.56 1.44 -1.26 -4.88 115.22 104.83 1y0c n HIS 45 Ca -0.01 -0.18 -0.23 0.00 -2.01 0.00 0.00 57.72 55.28 1y0c n HIS 45 Cb 0.23 0.00 -0.07 0.00 0.12 0.00 0.00 29.99 30.28 1y0c n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y0c s PHE 46 N -1.64 2.84 -0.41 -1.40 2.99 -0.93 -5.09 117.98 114.34 1y0c s PHE 46 Ca 0.27 -0.17 -0.18 0.00 0.00 0.00 0.00 56.93 56.85 1y0c s PHE 46 Cb 0.14 -1.29 0.02 0.00 0.00 0.00 0.00 43.02 41.90 1y0c s PHE 46 CO 0.20 0.57 0.49 0.34 -0.00 0.00 0.00 175.22 176.83 1y0c s ASP 47 N -3.58 6.23 -0.01 1.36 2.15 -1.26 -4.94 116.67 116.62 1y0c s ASP 47 Ca 0.31 -0.52 0.15 0.00 0.43 0.00 0.00 52.55 52.92 1y0c s ASP 47 Cb -0.07 -2.25 0.44 0.00 -0.30 0.00 0.00 42.92 40.73 1y0c s ASP 47 CO 0.21 -0.60 1.35 0.18 -0.17 0.00 0.00 175.17 176.14 1y0c n LEU 48 N 5.75 2.70 -4.75 -1.34 4.77 -1.26 -4.47 117.00 118.40 1y0c n LEU 48 Ca -0.06 -1.35 -0.34 0.00 -0.03 0.00 0.00 56.01 54.23 1y0c n LEU 48 Cb 0.48 -0.34 0.06 0.00 -2.33 0.00 0.00 43.42 41.29 1y0c n LEU 48 CO 0.47 0.64 0.77 -0.94 -1.33 0.00 0.00 177.39 177.00 1y0c s SER 49 N -0.97 4.74 0.14 -1.43 1.04 -1.26 -4.92 113.70 111.04 1y0c s SER 49 Ca 0.33 2.17 -0.31 0.00 0.48 0.00 0.00 55.95 58.61 1y0c s SER 49 Cb 0.18 -2.57 -0.11 0.00 0.10 0.00 0.00 66.02 63.62 1y0c s SER 49 CO 0.21 -1.89 1.77 -2.28 0.98 0.00 0.00 173.24 172.04 1y0c s HIS 50 N -2.15 2.42 -0.40 5.02 2.46 -1.26 -1.58 115.29 119.80 1y0c s HIS 50 Ca 0.71 0.13 0.00 0.00 0.47 0.00 0.00 55.06 56.37 1y0c s HIS 50 Cb -0.24 -4.14 0.00 0.00 -0.13 0.00 0.00 32.58 28.07 1y0c s HIS 50 CO 0.42 -4.57 0.00 0.41 -2.47 0.00 0.00 174.74 168.53 1y0c n GLY 51 N 4.12 0.67 3.74 1.59 0.00 -1.26 -4.99 105.19 109.06 1y0c n GLY 51 Ca 0.17 -0.88 -0.42 0.00 0.00 0.00 0.00 46.02 44.89 1y0c n GLY 51 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y0c s SER 52 N -2.94 6.65 0.52 1.61 1.04 -0.62 -4.87 113.70 115.10 1y0c s SER 52 Ca 0.00 2.62 0.23 0.00 0.48 0.00 0.00 55.95 59.28 1y0c s SER 52 Cb 0.00 -2.61 1.41 0.00 0.10 0.00 0.00 66.02 64.92 1y0c s SER 52 CO 0.00 -0.72 2.12 0.00 0.98 0.00 0.00 173.24 175.61 1y0c h ALA 53 N 5.59 1.57 -0.27 5.32 0.00 -1.89 0.27 119.26 129.85 1y0c h ALA 53 Ca -0.45 -0.08 -0.14 0.00 0.00 0.00 0.00 54.91 54.24 1y0c h ALA 53 Cb 1.21 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.99 1y0c h ALA 53 CO 0.82 0.11 -0.38 1.96 0.00 0.00 0.00 179.25 181.76 1y0c h GLN 54 N 0.00 0.74 -0.28 0.00 4.20 -1.89 -1.15 115.11 116.73 1y0c h GLN 54 Ca -0.00 -0.43 -0.13 0.00 0.06 0.00 0.00 58.65 58.16 1y0c h GLN 54 Cb 0.19 0.03 -0.00 0.00 0.30 0.00 0.00 27.48 28.00 1y0c h GLN 54 CO 0.01 1.05 -0.32 0.28 -0.67 0.00 0.00 178.83 179.19 1y0c h VAL 55 N 0.48 1.30 0.34 -0.54 2.07 -1.60 -1.46 116.25 116.84 1y0c h VAL 55 Ca 0.03 -1.49 -0.00 0.00 0.82 0.00 0.00 66.70 66.05 1y0c h VAL 55 Cb 0.97 1.62 -0.03 0.00 -1.52 0.00 0.00 31.29 32.33 1y0c h VAL 55 CO 0.09 0.48 -0.48 0.11 0.02 0.00 0.00 177.57 177.78 1y0c h LYS 56 N 0.44 -0.83 -0.98 1.57 1.57 -0.92 0.14 116.57 117.56 1y0c h LYS 56 Ca 0.04 0.06 0.06 0.00 -1.87 0.00 0.00 60.65 58.94 1y0c h LYS 56 Cb 0.89 0.19 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1y0c h LYS 56 CO 0.08 -0.56 0.64 0.78 -0.57 0.00 0.00 179.45 179.82 1y0c h GLY 57 N -0.86 1.47 1.90 3.86 0.00 -1.21 -0.87 103.07 107.35 1y0c h GLY 57 Ca -0.03 -0.46 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 1y0c h GLY 57 CO -0.15 0.33 -0.52 0.84 0.00 0.00 0.00 176.54 177.05 1y0c h HIS 58 N 1.14 0.13 -0.24 5.60 -0.00 -0.81 -2.42 115.15 118.56 1y0c h HIS 58 Ca 0.42 -0.04 -0.01 0.00 -0.00 0.00 0.00 60.37 60.74 1y0c h HIS 58 Cb 0.17 -0.03 -0.01 0.00 -0.00 0.00 0.00 27.41 27.54 1y0c h HIS 58 CO -0.00 0.60 0.13 0.78 -0.00 0.00 0.00 177.93 179.44 1y0c h GLY 59 N 1.48 0.36 0.48 5.26 0.00 0.62 -0.79 103.07 110.49 1y0c h GLY 59 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 47.33 47.18 1y0c h GLY 59 CO 0.07 0.16 -0.31 1.70 0.00 0.00 0.00 176.54 178.16 1y0c h LYS 60 N 0.27 -0.53 -0.64 4.80 3.64 -1.17 -0.52 116.57 122.42 1y0c h LYS 60 Ca 0.08 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.63 1y0c h LYS 60 Cb 0.08 0.12 -0.12 0.00 -0.41 0.00 0.00 32.23 31.90 1y0c h LYS 60 CO -0.01 -0.35 -0.08 0.87 -2.27 0.00 0.00 179.45 177.60 1y0c h LYS 61 N -0.55 0.05 -0.23 1.90 1.57 -1.17 0.05 116.57 118.19 1y0c h LYS 61 Ca 0.02 -0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.74 1y0c h LYS 61 Cb 0.56 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1y0c h LYS 61 CO -0.17 0.03 -0.08 0.28 -0.57 0.00 0.00 179.45 178.94 1y0c h VAL 62 N 0.05 1.30 0.22 0.50 2.07 -0.89 -2.93 116.25 116.57 1y0c h VAL 62 Ca 0.32 -1.12 0.01 0.00 0.82 0.00 0.00 66.70 66.73 1y0c h VAL 62 Cb 0.52 1.56 -0.03 0.00 -1.52 0.00 0.00 31.29 31.81 1y0c h VAL 62 CO -0.61 0.35 -0.36 0.00 0.02 0.00 0.00 177.57 176.97 1y0c h ALA 63 N 0.73 -0.68 -0.98 1.67 0.00 -0.33 -1.65 119.26 118.02 1y0c h ALA 63 Ca 0.05 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.05 1y0c h ALA 63 Cb 0.56 0.56 -0.09 0.00 0.00 0.00 0.00 17.79 18.82 1y0c h ALA 63 CO 0.03 -0.93 0.61 -0.44 0.00 0.00 0.00 179.25 178.52 1y0c h ASP 64 N -0.65 0.73 0.28 0.00 5.19 -1.05 0.20 116.42 121.12 1y0c h ASP 64 Ca 0.01 0.07 -0.16 0.00 -0.62 0.00 0.00 57.03 56.33 1y0c h ASP 64 Cb 0.64 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.07 1y0c h ASP 64 CO -0.15 0.31 -0.64 0.00 -3.12 0.00 0.00 179.24 175.64 1y0c h ALA 65 N 1.61 0.74 -0.57 3.45 0.00 -1.27 -0.38 119.26 122.84 1y0c h ALA 65 Ca 0.53 -0.56 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1y0c h ALA 65 Cb 0.85 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 1y0c h ALA 65 CO -0.30 0.74 0.15 -0.07 0.00 0.00 0.00 179.25 179.77 1y0c h LEU 66 N 0.25 0.85 -0.07 0.00 3.38 0.23 -1.18 115.31 118.77 1y0c h LEU 66 Ca -0.01 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.76 1y0c h LEU 66 Cb 1.17 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.68 1y0c h LEU 66 CO 0.11 0.85 -0.05 0.74 0.09 0.00 0.00 178.44 180.18 1y0c h THR 67 N 0.81 0.85 -0.44 0.22 2.02 -0.82 -1.40 112.91 114.15 1y0c h THR 67 Ca 0.18 0.00 0.01 0.00 0.77 0.00 0.00 66.41 67.37 1y0c h THR 67 Cb 0.32 0.85 -0.02 0.00 -1.74 0.00 0.00 68.15 67.56 1y0c h THR 67 CO -0.00 0.00 0.29 -1.13 0.37 0.00 0.00 175.52 175.05 1y0c h ASN 68 N -0.06 0.49 1.01 4.18 -1.24 -0.77 -1.41 115.58 117.78 1y0c h ASN 68 Ca 0.05 -0.01 -0.15 0.00 0.71 0.00 0.00 56.30 56.90 1y0c h ASN 68 Cb 0.12 -0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 1y0c h ASN 68 CO -0.10 0.35 -0.71 0.00 -1.29 0.00 0.00 177.43 175.68 1y0c h ALA 69 N 1.73 0.66 -0.25 1.57 0.00 -0.56 -2.38 119.26 120.03 1y0c h ALA 69 Ca 0.16 -0.64 -0.16 0.00 0.00 0.00 0.00 54.91 54.27 1y0c h ALA 69 Cb -0.05 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1y0c h ALA 69 CO -0.04 0.88 -0.47 0.28 0.00 0.00 0.00 179.25 179.90 1y0c h VAL 70 N 0.00 1.30 -0.20 0.00 2.07 -0.59 0.41 116.25 119.24 1y0c h VAL 70 Ca -0.01 -1.67 -0.05 0.00 0.82 0.00 0.00 66.70 65.79 1y0c h VAL 70 Cb 1.40 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.88 1y0c h VAL 70 CO 0.09 0.54 -0.10 0.00 0.02 0.00 0.00 177.57 178.12 1y0c h ALA 71 N 0.65 1.47 -0.64 1.67 0.00 -1.29 -2.76 119.26 118.35 1y0c h ALA 71 Ca 0.01 -0.20 -0.45 0.00 0.00 0.00 0.00 54.91 54.27 1y0c h ALA 71 Cb 1.08 -0.10 -0.31 0.00 0.00 0.00 0.00 17.79 18.46 1y0c h ALA 71 CO 0.11 0.37 -0.40 0.72 0.00 0.00 0.00 179.25 180.05 1y0c n HIS 72 N -4.28 2.25 -0.15 0.00 8.25 -0.90 -4.78 115.22 115.61 1y0c n HIS 72 Ca -0.00 -2.17 0.28 0.00 -0.26 0.00 0.00 57.72 55.57 1y0c n HIS 72 Cb 0.26 -0.53 0.72 0.00 1.12 0.00 0.00 29.99 31.56 1y0c n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y0c h VAL 73 N 1.67 0.51 0.00 1.59 3.04 -0.61 0.22 116.25 122.67 1y0c h VAL 73 Ca 0.34 0.00 -0.18 0.00 -1.01 0.00 0.00 66.70 65.86 1y0c h VAL 73 Cb 1.39 0.55 -0.03 0.00 -2.01 0.00 0.00 31.29 31.19 1y0c h VAL 73 CO 0.75 0.00 -0.85 0.44 -1.01 0.00 0.00 177.57 176.89 1y0c h ASP 74 N 0.00 0.00 -0.81 3.17 3.32 -1.86 -3.38 116.42 116.86 1y0c h ASP 74 Ca 0.40 0.00 -0.38 0.00 0.02 0.00 0.00 57.03 57.07 1y0c h ASP 74 Cb 1.68 0.00 -0.41 0.00 0.22 0.00 0.00 39.33 40.83 1y0c h ASP 74 CO -0.00 0.82 -1.03 -0.67 -1.72 0.00 0.00 179.24 176.64 1y0c n ASP 75 N -3.29 2.61 -0.05 6.45 2.03 0.67 -4.95 116.55 120.01 1y0c n ASP 75 Ca 0.00 -2.79 -0.08 0.00 0.52 0.00 0.00 54.79 52.45 1y0c n ASP 75 Cb 0.87 -0.47 -0.01 0.00 -0.72 0.00 0.00 41.12 40.79 1y0c n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y0c h MET 76 N 2.64 -0.19 -0.92 -0.67 2.86 -1.44 0.44 114.93 117.65 1y0c h MET 76 Ca 0.03 0.01 0.26 0.00 -2.06 0.00 0.00 59.70 57.94 1y0c h MET 76 Cb 1.25 0.04 -0.15 0.00 0.06 0.00 0.00 31.60 32.80 1y0c h MET 76 CO 0.48 -0.13 0.31 -1.35 1.06 0.00 0.00 176.91 177.28 1y0c h PRO 77 N -0.20 0.21 0.15 -0.22 0.11 -1.92 0.61 132.00 130.75 1y0c h PRO 77 Ca 0.14 -0.01 -0.22 0.00 0.11 0.00 0.00 66.00 66.01 1y0c h PRO 77 Cb 0.41 -0.05 0.02 0.00 0.11 0.00 0.00 31.00 31.49 1y0c h PRO 77 CO -0.37 0.14 -1.02 -0.91 -0.21 0.00 0.00 178.00 175.63 1y0c h ASN 78 N 0.22 0.50 -0.01 -2.05 4.21 -1.74 -2.83 115.58 113.89 1y0c h ASN 78 Ca 0.60 -0.93 -0.01 0.00 1.21 0.00 0.00 56.30 57.17 1y0c h ASN 78 Cb 1.27 -0.16 -0.00 0.00 -1.12 0.00 0.00 38.32 38.31 1y0c h ASN 78 CO -0.66 1.48 -0.01 0.00 -1.29 0.00 0.00 177.43 176.95 1y0c h ALA 79 N 0.06 1.90 -0.25 -0.83 0.00 0.19 -3.00 119.26 117.34 1y0c h ALA 79 Ca -0.19 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.67 1y0c h ALA 79 Cb 1.74 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1y0c h ALA 79 CO 0.15 0.08 -0.00 1.28 0.00 0.00 0.00 179.25 180.76 1y0c n LEU 80 N -4.48 3.80 -0.08 0.00 4.77 0.19 -4.76 117.00 116.44 1y0c n LEU 80 Ca -0.02 -3.04 -0.06 0.00 -0.03 0.00 0.00 56.01 52.85 1y0c n LEU 80 Cb 0.12 -0.54 -0.00 0.00 -2.33 0.00 0.00 43.42 40.67 1y0c n LEU 80 CO 0.35 0.69 0.77 0.77 -1.33 0.00 0.00 177.39 178.63 1y0c h SER 81 N 1.67 -0.45 -0.75 -1.43 4.64 -1.35 0.23 113.55 116.11 1y0c h SER 81 Ca 0.01 0.11 0.06 0.00 -0.47 0.00 0.00 61.79 61.50 1y0c h SER 81 Cb 1.43 0.26 -0.06 0.00 -0.31 0.00 0.00 62.40 63.71 1y0c h SER 81 CO 0.21 -0.17 0.44 0.00 -0.87 0.00 0.00 176.83 176.45 1y0c h ALA 82 N 1.18 1.03 -0.29 5.18 0.00 -1.86 -1.85 119.26 122.65 1y0c h ALA 82 Ca 0.16 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1y0c h ALA 82 Cb 0.32 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1y0c h ALA 82 CO -0.36 0.14 -0.36 -0.07 0.00 0.00 0.00 179.25 178.60 1y0c h LEU 83 N 0.80 0.68 -1.17 0.00 4.07 -1.73 -1.43 115.31 116.54 1y0c h LEU 83 Ca 0.34 -0.29 -0.09 0.00 0.08 0.00 0.00 57.88 57.92 1y0c h LEU 83 Cb 0.20 -0.19 -0.01 0.00 1.08 0.00 0.00 40.66 41.73 1y0c h LEU 83 CO -0.18 0.97 -0.41 0.28 -1.08 0.00 0.00 178.44 178.02 1y0c h SER 84 N 0.54 0.00 0.29 -0.43 0.02 -0.30 -2.32 113.55 111.35 1y0c h SER 84 Ca 0.06 0.00 -0.01 0.00 -0.84 0.00 0.00 61.79 60.99 1y0c h SER 84 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.41 1y0c h SER 84 CO 0.07 0.41 -0.14 0.44 -1.14 0.00 0.00 176.83 176.47 1y0c h ASP 85 N 0.00 -0.33 -0.41 3.07 3.32 -1.23 -1.81 116.42 119.04 1y0c h ASP 85 Ca -0.00 -0.19 0.08 0.00 0.02 0.00 0.00 57.03 56.94 1y0c h ASP 85 Cb 0.75 0.09 -0.08 0.00 0.22 0.00 0.00 39.33 40.30 1y0c h ASP 85 CO 0.05 0.13 -0.13 0.25 -1.72 0.00 0.00 179.24 177.83 1y0c h LEU 86 N -0.93 -0.47 -0.54 1.55 5.85 -1.17 -0.71 115.31 118.90 1y0c h LEU 86 Ca -0.04 0.13 -0.07 0.00 0.84 0.00 0.00 57.88 58.74 1y0c h LEU 86 Cb 0.51 0.29 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 1y0c h LEU 86 CO 0.07 -0.17 0.05 0.45 -0.34 0.00 0.00 178.44 178.50 1y0c h HIS 87 N -0.04 0.99 -0.19 1.25 3.86 -1.51 0.14 115.15 119.65 1y0c h HIS 87 Ca 0.20 -0.15 -0.16 0.00 -1.16 0.00 0.00 60.37 59.09 1y0c h HIS 87 Cb 0.34 -0.26 0.00 0.00 1.06 0.00 0.00 27.41 28.55 1y0c h HIS 87 CO -0.39 0.89 -0.51 0.00 0.86 0.00 0.00 177.93 178.78 1y0c h ALA 88 N 0.97 0.31 0.00 2.45 0.00 -0.92 0.27 119.26 122.34 1y0c h ALA 88 Ca 0.16 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1y0c h ALA 88 Cb 0.47 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.22 1y0c h ALA 88 CO 0.02 0.50 -1.48 0.72 0.00 0.00 0.00 179.25 179.01 1y0c n HIS 89 N -4.15 0.00 -0.00 0.00 8.25 -0.31 -4.57 115.22 114.44 1y0c n HIS 89 Ca -0.06 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.39 1y0c n HIS 89 Cb 0.60 -0.27 -0.00 0.00 1.12 0.00 0.00 29.99 31.45 1y0c n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y0c n LYS 90 N -1.88 0.03 0.12 -0.41 4.81 0.38 -4.86 118.16 116.35 1y0c n LYS 90 Ca -0.02 0.01 -0.14 0.00 -0.87 0.00 0.00 58.31 57.30 1y0c n LYS 90 Cb 0.33 -0.33 -0.08 0.00 0.02 0.00 0.00 35.03 34.98 1y0c n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y0c h LEU 91 N -0.06 -0.21 -1.04 3.14 3.38 -1.36 -3.48 115.31 115.69 1y0c h LEU 91 Ca 0.00 -0.06 -0.42 0.00 0.09 0.00 0.00 57.88 57.49 1y0c h LEU 91 Cb 0.06 0.05 0.08 0.00 0.09 0.00 0.00 40.66 40.94 1y0c h LEU 91 CO 0.00 -0.07 -0.72 0.54 0.09 0.00 0.00 178.44 178.27 1y0c n ARG 92 N -5.16 -6.88 -2.05 1.13 1.74 0.95 -4.94 116.66 101.44 1y0c n ARG 92 Ca -0.09 0.74 -0.41 0.00 -0.77 0.00 0.00 57.85 57.32 1y0c n ARG 92 Cb 0.15 -5.71 -0.02 0.00 -1.02 0.00 0.00 32.46 25.85 1y0c n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y0c s VAL 93 N -3.34 2.73 0.23 1.55 1.01 -1.25 -4.94 120.40 116.39 1y0c s VAL 93 Ca 0.51 0.62 -0.30 0.00 0.00 0.00 0.00 61.98 62.81 1y0c s VAL 93 Cb -0.24 -3.40 -0.10 0.00 0.00 0.00 0.00 36.38 32.64 1y0c s VAL 93 CO 0.77 0.11 1.49 -0.62 0.00 0.00 0.00 175.10 176.84 1y0c s ASP 94 N 0.25 6.60 0.58 3.32 2.15 -1.26 -4.86 116.67 123.45 1y0c s ASP 94 Ca 0.58 2.69 0.30 0.00 0.43 0.00 0.00 52.55 56.55 1y0c s ASP 94 Cb -0.41 -2.62 1.43 0.00 -0.30 0.00 0.00 42.92 41.02 1y0c s ASP 94 CO 0.44 -0.76 1.81 -0.65 -0.17 0.00 0.00 175.17 175.84 1y0c h PRO 95 N 5.42 0.00 -0.15 4.34 0.11 -2.00 -0.41 132.00 139.31 1y0c h PRO 95 Ca -0.45 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.64 1y0c h PRO 95 Cb 1.21 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.32 1y0c h PRO 95 CO 0.81 0.00 0.03 0.28 -0.21 0.00 0.00 178.00 178.91 1y0c h VAL 96 N 0.00 1.08 0.00 3.15 2.07 -2.03 -2.43 116.25 118.09 1y0c h VAL 96 Ca 0.35 -0.27 -0.03 0.00 0.82 0.00 0.00 66.70 67.57 1y0c h VAL 96 Cb 1.68 0.93 -0.00 0.00 -1.52 0.00 0.00 31.29 32.37 1y0c h VAL 96 CO -0.00 0.10 -0.12 0.78 0.02 0.00 0.00 177.57 178.34 1y0c h ASN 97 N 0.21 0.00 -0.18 0.57 4.21 -1.43 -2.93 115.58 116.02 1y0c h ASN 97 Ca 0.05 0.00 -0.07 0.00 1.21 0.00 0.00 56.30 57.50 1y0c h ASN 97 Cb 0.09 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.27 1y0c h ASN 97 CO -0.00 0.12 -0.08 -0.26 -1.29 0.00 0.00 177.43 175.92 1y0c h PHE 98 N 0.00 0.56 0.00 1.19 0.04 -1.59 -2.36 116.94 114.78 1y0c h PHE 98 Ca -0.00 -0.08 -0.08 0.00 2.80 0.00 0.00 57.97 60.62 1y0c h PHE 98 Cb 0.46 -0.15 -0.01 0.00 2.20 0.00 0.00 35.95 38.44 1y0c h PHE 98 CO 0.00 0.60 -0.36 0.87 -0.60 0.00 0.00 178.31 178.82 1y0c h LYS 99 N 0.49 0.00 -0.02 1.51 1.57 -1.67 -1.87 116.57 116.57 1y0c h LYS 99 Ca 0.10 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.81 1y0c h LYS 99 Cb 0.44 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.76 1y0c h LYS 99 CO 0.02 0.36 -0.23 -0.07 -0.57 0.00 0.00 179.45 178.97 1y0c h LEU 100 N 0.00 0.24 -0.35 2.94 3.38 -1.55 -2.53 115.31 117.44 1y0c h LEU 100 Ca -0.00 -0.71 -0.02 0.00 0.09 0.00 0.00 57.88 57.24 1y0c h LEU 100 Cb 0.73 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1y0c h LEU 100 CO 0.05 0.91 0.15 0.25 0.09 0.00 0.00 178.44 179.89 1y0c h LEU 101 N -0.42 0.48 -0.17 1.67 6.46 -1.46 -2.53 115.31 119.34 1y0c h LEU 101 Ca -0.02 -0.16 0.05 0.00 -0.12 0.00 0.00 57.88 57.63 1y0c h LEU 101 Cb 0.93 -0.12 -0.07 0.00 -0.73 0.00 0.00 40.66 40.67 1y0c h LEU 101 CO 0.05 0.50 -0.31 0.28 -0.62 0.00 0.00 178.44 178.34 1y0c h SER 102 N 0.42 -0.98 -0.50 1.25 0.02 -1.38 -0.42 113.55 111.96 1y0c h SER 102 Ca 0.12 0.15 0.07 0.00 -0.84 0.00 0.00 61.79 61.29 1y0c h SER 102 Cb 0.17 0.43 -0.06 0.00 0.14 0.00 0.00 62.40 63.08 1y0c h SER 102 CO -0.01 -0.35 0.17 -0.74 -1.14 0.00 0.00 176.83 174.76 1y0c h HIS 103 N -0.36 0.29 0.00 3.45 -0.00 -1.40 -1.03 115.15 116.10 1y0c h HIS 103 Ca 0.11 0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.47 1y0c h HIS 103 Cb 0.54 -0.05 -0.01 0.00 -0.00 0.00 0.00 27.41 27.89 1y0c h HIS 103 CO -0.42 0.08 -0.17 0.00 -0.00 0.00 0.00 177.93 177.42 1y0c h LEU 105 N 0.00 0.78 0.49 0.00 5.85 0.01 -1.78 115.31 120.67 1y0c h LEU 105 Ca -0.00 -0.72 -0.02 0.00 0.84 0.00 0.00 57.88 57.97 1y0c h LEU 105 Cb 0.34 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.13 1y0c h LEU 105 CO 0.02 1.40 -0.24 -0.07 -0.34 0.00 0.00 178.44 179.22 1y0c h LEU 106 N 0.24 -0.56 -0.63 2.25 3.38 -0.39 -1.98 115.31 117.62 1y0c h LEU 106 Ca -0.10 0.00 0.13 0.00 0.09 0.00 0.00 57.88 58.01 1y0c h LEU 106 Cb 1.50 0.14 -0.12 0.00 0.09 0.00 0.00 40.66 42.28 1y0c h LEU 106 CO 0.17 -0.38 -0.09 0.58 0.09 0.00 0.00 178.44 178.81 1y0c h VAL 107 N -0.69 0.41 -0.53 1.22 2.07 -0.98 0.24 116.25 117.99 1y0c h VAL 107 Ca -0.07 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.43 1y0c h VAL 107 Cb 0.52 0.36 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 1y0c h VAL 107 CO 0.11 0.01 0.29 0.74 0.02 0.00 0.00 177.57 178.74 1y0c h THR 108 N 0.04 1.16 -0.01 2.57 2.02 -1.15 -1.95 112.91 115.60 1y0c h THR 108 Ca 0.32 -0.42 -0.27 0.00 0.77 0.00 0.00 66.41 66.82 1y0c h THR 108 Cb 0.51 0.45 0.02 0.00 -1.74 0.00 0.00 68.15 67.39 1y0c h THR 108 CO -0.61 0.18 -1.03 -0.07 0.37 0.00 0.00 175.52 174.36 1y0c h LEU 109 N 0.73 0.92 -0.51 2.58 3.38 -0.20 -2.93 115.31 119.29 1y0c h LEU 109 Ca 0.19 -0.73 0.06 0.00 0.09 0.00 0.00 57.88 57.49 1y0c h LEU 109 Cb 0.02 -0.28 -0.05 0.00 0.09 0.00 0.00 40.66 40.44 1y0c h LEU 109 CO -0.03 1.53 0.22 0.00 0.09 0.00 0.00 178.44 180.25 1y0c h ALA 110 N 0.41 0.64 0.00 1.53 0.00 -0.14 0.56 119.26 122.26 1y0c h ALA 110 Ca -0.13 0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.81 1y0c h ALA 110 Cb 1.68 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.46 1y0c h ALA 110 CO 0.20 -0.16 -0.10 0.00 0.00 0.00 0.00 179.25 179.19 1y0c h ALA 111 N 1.31 1.23 0.00 0.00 0.00 -1.42 -3.26 119.26 117.12 1y0c h ALA 111 Ca 0.24 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1y0c h ALA 111 Cb 0.21 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1y0c h ALA 111 CO -0.21 0.13 -1.12 0.72 0.00 0.00 0.00 179.25 178.77 1y0c n HIS 112 N -3.55 0.00 -3.13 0.00 -0.00 -0.45 -4.75 115.22 103.34 1y0c n HIS 112 Ca -0.02 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.44 1y0c n HIS 112 Cb 0.23 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.99 30.05 1y0c n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y0c n LEU 113 N -1.62 3.92 -0.00 2.41 4.77 0.18 -4.95 117.00 121.70 1y0c n LEU 113 Ca -0.01 -5.54 -0.07 0.00 -0.03 0.00 0.00 56.01 50.36 1y0c n LEU 113 Cb 0.16 -0.50 -0.05 0.00 -2.33 0.00 0.00 43.42 40.70 1y0c n LEU 113 CO 0.13 2.24 0.50 1.55 -1.33 0.00 0.00 177.39 180.48 1y0c h PRO 114 N 3.45 -0.26 -0.63 3.23 0.13 -1.80 0.20 132.00 136.32 1y0c h PRO 114 Ca 0.15 0.02 0.10 0.00 -0.87 0.00 0.00 66.00 65.40 1y0c h PRO 114 Cb 0.59 0.06 -0.04 0.00 0.13 0.00 0.00 31.00 31.75 1y0c h PRO 114 CO 0.80 -0.18 0.42 0.00 -0.23 0.00 0.00 178.00 178.81 1y0c h ALA 115 N -0.90 1.98 0.00 -0.56 0.00 -1.93 -2.77 119.26 115.08 1y0c h ALA 115 Ca 0.01 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1y0c h ALA 115 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1y0c h ALA 115 CO -0.21 -0.12 -0.63 0.93 0.00 0.00 0.00 179.25 179.23 1y0c h GLU 116 N 0.46 0.00 -2.49 0.00 3.07 -1.83 -3.40 114.58 110.39 1y0c h GLU 116 Ca 0.29 0.00 -0.61 0.00 -0.50 0.00 0.00 59.36 58.54 1y0c h GLU 116 Cb 0.53 0.00 -0.10 0.00 -0.84 0.00 0.00 28.75 28.34 1y0c h GLU 116 CO -0.09 0.00 1.94 0.34 -1.40 0.00 0.00 179.01 179.80 1y0c n PHE 117 N -2.17 2.04 -1.41 4.33 7.35 0.66 -4.78 117.46 123.47 1y0c n PHE 117 Ca 0.03 -2.53 -0.30 0.00 -0.76 0.00 0.00 57.45 53.89 1y0c n PHE 117 Cb 0.45 -1.84 0.11 0.00 0.35 0.00 0.00 39.48 38.55 1y0c n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y0c s THR 118 N -0.49 2.90 0.26 -2.13 -4.23 -1.26 -4.71 115.64 105.98 1y0c s THR 118 Ca 0.60 0.29 -0.02 0.00 -1.18 0.00 0.00 61.69 61.38 1y0c s THR 118 Cb 0.24 -2.93 0.23 0.00 1.34 0.00 0.00 72.50 71.39 1y0c s THR 118 CO -0.11 -0.38 1.80 -0.65 -0.54 0.00 0.00 174.62 174.74 1y0c h PRO 119 N -1.27 0.74 -0.22 3.99 0.11 -1.99 0.55 132.00 133.90 1y0c h PRO 119 Ca -0.48 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 65.45 1y0c h PRO 119 Cb 1.27 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 1y0c h PRO 119 CO 0.57 0.49 -0.45 0.00 -0.21 0.00 0.00 178.00 178.41 1y0c h ALA 120 N 1.50 0.81 -0.16 -0.75 0.00 -1.97 -2.12 119.26 116.57 1y0c h ALA 120 Ca 0.43 -0.46 -0.21 0.00 0.00 0.00 0.00 54.91 54.67 1y0c h ALA 120 Cb 0.48 -0.10 0.01 0.00 0.00 0.00 0.00 17.79 18.18 1y0c h ALA 120 CO -0.29 0.66 -0.74 0.28 0.00 0.00 0.00 179.25 179.16 1y0c h VAL 121 N 0.45 1.29 -0.27 0.00 2.07 -1.63 -2.85 116.25 115.32 1y0c h VAL 121 Ca 0.03 -1.96 0.06 0.00 0.82 0.00 0.00 66.70 65.65 1y0c h VAL 121 Cb 0.96 1.95 -0.06 0.00 -1.52 0.00 0.00 31.29 32.62 1y0c h VAL 121 CO 0.09 0.62 -0.11 -0.74 0.02 0.00 0.00 177.57 177.45 1y0c h HIS 122 N 0.52 -0.25 -0.13 1.57 6.17 0.20 -1.13 115.15 122.10 1y0c h HIS 122 Ca -0.04 0.03 0.04 0.00 0.71 0.00 0.00 60.37 61.11 1y0c h HIS 122 Cb 1.36 0.15 -0.05 0.00 2.52 0.00 0.00 27.41 31.40 1y0c h HIS 122 CO 0.08 -0.17 -0.16 0.00 0.71 0.00 0.00 177.93 178.38 1y0c h ALA 123 N 1.17 -0.09 0.04 5.26 0.00 -1.37 -1.99 119.26 122.29 1y0c h ALA 123 Ca 0.14 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y0c h ALA 123 Cb 0.27 0.33 -0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y0c h ALA 123 CO -0.31 -0.61 -0.03 0.77 0.00 0.00 0.00 179.25 179.07 1y0c h SER 124 N -0.20 -0.07 -0.61 0.00 0.02 -1.27 -1.92 113.55 109.49 1y0c h SER 124 Ca 0.10 0.01 0.03 0.00 -0.84 0.00 0.00 61.79 61.08 1y0c h SER 124 Cb 0.34 0.02 -0.04 0.00 0.14 0.00 0.00 62.40 62.86 1y0c h SER 124 CO -0.25 -0.04 0.37 -0.07 -1.14 0.00 0.00 176.83 175.69 1y0c h LEU 125 N -0.07 0.59 0.06 5.07 3.38 -1.14 -0.59 115.31 122.61 1y0c h LEU 125 Ca -0.00 0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.98 1y0c h LEU 125 Cb 0.06 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 1y0c h LEU 125 CO 0.00 0.41 -0.09 -0.78 0.09 0.00 0.00 178.44 178.07 1y0c h ASP 126 N 0.72 -0.25 -0.72 -0.43 3.58 -1.29 0.38 116.42 118.41 1y0c h ASP 126 Ca 0.25 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.76 1y0c h ASP 126 Cb 0.05 0.10 -0.04 0.00 1.72 0.00 0.00 39.33 41.15 1y0c h ASP 126 CO -0.11 -0.14 0.47 0.11 -2.88 0.00 0.00 179.24 176.69 1y0c h LYS 127 N -0.19 0.89 0.31 0.28 1.57 -1.04 -0.95 116.57 117.43 1y0c h LYS 127 Ca 0.02 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1y0c h LYS 127 Cb 0.20 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.32 1y0c h LYS 127 CO -0.05 0.59 -0.15 0.35 -0.57 0.00 0.00 179.45 179.61 1y0c h PHE 128 N 0.91 -0.38 -0.72 -1.35 3.57 -0.75 0.63 116.94 118.85 1y0c h PHE 128 Ca 0.28 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.75 1y0c h PHE 128 Cb -0.01 0.13 -0.03 0.00 2.79 0.00 0.00 35.95 38.82 1y0c h PHE 128 CO -0.00 -0.11 0.39 -0.07 -2.23 0.00 0.00 178.31 176.29 1y0c h LEU 129 N -0.62 0.88 -0.46 0.59 3.38 -0.71 0.55 115.31 118.93 1y0c h LEU 129 Ca -0.04 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 57.83 1y0c h LEU 129 Cb 0.45 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1y0c h LEU 129 CO 0.07 0.71 0.16 0.00 0.09 0.00 0.00 178.44 179.47 1y0c h ALA 130 N 1.43 0.60 -0.67 1.53 0.00 -1.01 -0.06 119.26 121.08 1y0c h ALA 130 Ca 0.25 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1y0c h ALA 130 Cb 0.02 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1y0c h ALA 130 CO -0.04 0.23 0.31 0.77 0.00 0.00 0.00 179.25 180.52 1y0c h SER 131 N 0.60 0.89 -0.92 0.00 0.02 0.14 -0.67 113.55 113.61 1y0c h SER 131 Ca 0.15 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.96 1y0c h SER 131 Cb 0.23 -0.23 -0.04 0.00 0.14 0.00 0.00 62.40 62.50 1y0c h SER 131 CO -0.01 0.79 0.57 0.58 -1.14 0.00 0.00 176.83 177.61 1y0c h VAL 132 N 0.94 1.25 -0.22 2.27 2.07 -0.70 -1.65 116.25 120.20 1y0c h VAL 132 Ca 0.23 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 67.20 1y0c h VAL 132 Cb 0.14 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.84 1y0c h VAL 132 CO -0.03 0.26 0.07 0.28 0.02 0.00 0.00 177.57 178.17 1y0c h SER 133 N 1.27 0.32 -0.49 0.57 0.02 -0.44 -1.75 113.55 113.06 1y0c h SER 133 Ca 0.33 -0.20 0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1y0c h SER 133 Cb -0.07 -0.08 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 1y0c h SER 133 CO -0.06 0.44 0.26 0.74 -1.14 0.00 0.00 176.83 177.07 1y0c h THR 134 N 0.19 0.98 -0.19 -2.27 2.02 -0.95 -1.61 112.91 111.08 1y0c h THR 134 Ca 0.07 -0.18 -0.01 0.00 0.77 0.00 0.00 66.41 67.07 1y0c h THR 134 Cb 0.23 0.43 -0.01 0.00 -1.74 0.00 0.00 68.15 67.06 1y0c h THR 134 CO -0.00 0.09 0.08 0.58 0.37 0.00 0.00 175.52 176.65 1y0c h VAL 135 N 0.51 1.15 0.00 3.16 2.07 -1.10 -1.31 116.25 120.73 1y0c h VAL 135 Ca 0.21 -0.43 -0.00 0.00 0.82 0.00 0.00 66.70 67.30 1y0c h VAL 135 Cb 0.10 1.08 -0.00 0.00 -1.52 0.00 0.00 31.29 30.95 1y0c h VAL 135 CO -0.14 0.14 -0.00 -0.07 0.02 0.00 0.00 177.57 177.52 1y0c h LEU 136 N 0.17 0.00 -2.96 2.57 3.38 -0.98 -2.78 115.31 114.71 1y0c h LEU 136 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y0c h LEU 136 Cb 0.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.89 1y0c h LEU 136 CO -0.01 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.87 1y0c n THR 137 N -3.09 1.15 0.19 0.22 -2.24 -0.64 -4.52 114.28 105.35 1y0c n THR 137 Ca -0.01 -1.13 0.06 0.00 -2.27 0.00 0.00 64.05 60.70 1y0c n THR 137 Cb 0.18 0.40 0.33 0.00 -2.10 0.00 0.00 70.33 69.15 1y0c n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1y0c h SER 138 N 1.24 0.00 -0.63 3.42 4.64 -0.94 -3.21 113.55 118.07 1y0c h SER 138 Ca 0.00 0.00 -0.11 0.00 -0.47 0.00 0.00 61.79 61.21 1y0c h SER 138 Cb 0.73 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.75 1y0c h SER 138 CO 0.02 0.35 0.13 0.29 -0.87 0.00 0.00 176.83 176.75 1y0c n LYS 139 N -3.46 4.14 0.15 4.77 5.02 -1.26 -4.56 118.16 122.95 1y0c n LYS 139 Ca 0.00 -3.12 0.02 0.00 -2.02 0.00 0.00 58.31 53.19 1y0c n LYS 139 Cb 0.51 -2.21 0.35 0.00 -0.02 0.00 0.00 35.03 33.66 1y0c n LYS 139 CO 0.00 0.00 0.00 0.74 -0.52 0.00 0.00 177.40 177.62 1y0c h PHE 140 N 3.14 0.12 0.00 2.13 0.05 -1.87 -3.45 116.94 117.06 1y0c h PHE 140 Ca 0.14 -0.02 0.00 0.00 3.82 0.00 0.00 57.97 61.90 1y0c h PHE 140 Cb 2.12 -0.03 0.00 0.00 2.00 0.00 0.00 35.95 40.04 1y0c h PHE 140 CO 1.15 0.41 0.00 2.89 -0.18 0.00 0.00 178.31 182.58