#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4g n HIS 2 N 0.00 0.00 -4.02 2.03 -0.00 -1.26 -4.78 115.22 107.20 1y4g n HIS 2 Ca 0.00 -0.16 -0.35 0.00 -0.00 0.00 0.00 57.72 57.21 1y4g n HIS 2 Cb 0.00 -0.52 -0.09 0.00 -0.00 0.00 0.00 29.99 29.38 1y4g n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y4g s LEU 3 N 0.09 3.95 0.43 0.27 1.43 -1.26 -5.09 118.68 118.49 1y4g s LEU 3 Ca 0.22 0.20 -0.22 0.00 -1.03 0.00 0.00 54.13 53.31 1y4g s LEU 3 Cb 0.05 -1.97 -0.10 0.00 0.03 0.00 0.00 46.19 44.19 1y4g s LEU 3 CO 0.11 0.27 0.97 -0.89 0.23 0.00 0.00 176.35 177.04 1y4g s THR 4 N -0.22 4.24 0.22 5.49 2.01 -1.26 -4.79 115.64 121.33 1y4g s THR 4 Ca 0.08 1.45 -0.09 0.00 0.31 0.00 0.00 61.69 63.44 1y4g s THR 4 Cb -0.12 -3.62 0.19 0.00 0.01 0.00 0.00 72.50 68.97 1y4g s THR 4 CO 0.01 -0.24 1.68 -0.65 -0.69 0.00 0.00 174.62 174.73 1y4g h PRO 5 N 2.01 0.18 0.00 4.92 0.11 -1.98 1.13 132.00 138.36 1y4g h PRO 5 Ca -0.49 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 65.58 1y4g h PRO 5 Cb 1.19 -0.04 -0.00 0.00 0.11 0.00 0.00 31.00 32.26 1y4g h PRO 5 CO 0.61 0.12 -0.13 1.05 -0.21 0.00 0.00 178.00 179.44 1y4g h GLU 6 N 0.18 0.00 0.25 1.05 9.09 -1.99 -1.03 114.58 122.14 1y4g h GLU 6 Ca 0.34 0.00 -0.34 0.00 0.05 0.00 0.00 59.36 59.41 1y4g h GLU 6 Cb 0.54 0.00 0.04 0.00 -1.65 0.00 0.00 28.75 27.68 1y4g h GLU 6 CO -0.49 0.13 -1.48 0.93 0.05 0.00 0.00 179.01 178.15 1y4g h GLU 7 N 0.00 0.53 -0.78 1.06 5.08 -0.47 -1.99 114.58 118.01 1y4g h GLU 7 Ca -0.00 -0.91 -0.02 0.00 -1.00 0.00 0.00 59.36 57.42 1y4g h GLU 7 Cb 0.36 0.34 -0.04 0.00 0.50 0.00 0.00 28.75 29.91 1y4g h GLU 7 CO 0.02 1.44 0.40 0.87 -1.00 0.00 0.00 179.01 180.73 1y4g h LYS 8 N 0.13 1.11 -0.61 2.33 1.57 0.13 -2.07 116.57 119.16 1y4g h LYS 8 Ca -0.26 -0.15 -0.08 0.00 -1.87 0.00 0.00 60.65 58.28 1y4g h LYS 8 Cb 2.16 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 34.24 1y4g h LYS 8 CO 0.27 0.84 0.05 1.03 -0.57 0.00 0.00 179.45 181.08 1y4g h SER 9 N 1.09 1.01 -0.47 0.86 0.87 -1.24 -1.65 113.55 114.02 1y4g h SER 9 Ca 0.27 -0.28 -0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1y4g h SER 9 Cb 0.08 -0.27 -0.02 0.00 -0.44 0.00 0.00 62.40 61.75 1y4g h SER 9 CO -0.04 1.04 0.06 0.00 -0.53 0.00 0.00 176.83 177.37 1y4g h ALA 10 N 1.00 1.12 0.36 6.23 0.00 -1.03 -2.00 119.26 124.94 1y4g h ALA 10 Ca 0.18 -0.24 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1y4g h ALA 10 Cb 0.49 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1y4g h ALA 10 CO 0.02 0.57 -0.17 0.28 0.00 0.00 0.00 179.25 179.95 1y4g h VAL 11 N 0.80 0.60 -0.54 0.00 2.07 -1.04 -3.15 116.25 115.00 1y4g h VAL 11 Ca 0.16 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.20 1y4g h VAL 11 Cb 0.39 0.85 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1y4g h VAL 11 CO 0.01 0.09 0.27 0.74 0.02 0.00 0.00 177.57 178.70 1y4g h THR 12 N -0.81 0.94 -0.20 2.57 2.02 -1.26 -1.93 112.91 114.24 1y4g h THR 12 Ca -0.05 -0.18 -0.00 0.00 0.77 0.00 0.00 66.41 66.95 1y4g h THR 12 Cb 0.53 0.38 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1y4g h THR 12 CO 0.08 0.09 0.12 0.00 0.37 0.00 0.00 175.52 176.19 1y4g h ALA 13 N 1.30 0.26 -0.53 6.16 0.00 -1.46 -2.18 119.26 122.81 1y4g h ALA 13 Ca 0.24 -0.04 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 1y4g h ALA 13 Cb 0.16 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.85 1y4g h ALA 13 CO -0.17 -0.24 0.02 1.25 0.00 0.00 0.00 179.25 180.10 1y4g h LEU 14 N 0.25 0.85 -1.32 0.00 5.85 -1.47 -2.96 115.31 116.50 1y4g h LEU 14 Ca 0.07 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.52 1y4g h LEU 14 Cb 0.02 -0.23 -0.01 0.00 0.37 0.00 0.00 40.66 40.81 1y4g h LEU 14 CO -0.01 0.90 -0.20 -0.25 -0.34 0.00 0.00 178.44 178.53 1y4g h TRP 15 N 0.82 0.22 0.00 1.25 2.91 -1.11 -1.78 115.95 118.25 1y4g h TRP 15 Ca 0.16 -0.03 0.00 0.00 1.13 0.00 0.00 58.89 60.15 1y4g h TRP 15 Cb 0.47 -0.06 0.00 0.00 -0.51 0.00 0.00 29.16 29.06 1y4g h TRP 15 CO 0.03 0.40 0.00 0.78 -1.03 0.00 0.00 178.44 178.62 1y4g h GLY 16 N 0.85 0.00 -1.93 2.65 0.00 -1.22 -1.17 103.07 102.24 1y4g h GLY 16 Ca 0.03 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.36 1y4g h GLY 16 CO 0.03 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.85 1y4g n LYS 17 N -2.94 2.33 -2.80 4.80 5.02 -0.67 -4.97 118.16 118.93 1y4g n LYS 17 Ca -0.03 -1.94 -0.41 0.00 -2.02 0.00 0.00 58.31 53.91 1y4g n LYS 17 Cb 0.07 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 33.58 1y4g n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y4g s VAL 18 N -1.96 4.82 -0.65 -0.18 1.01 -0.45 -4.99 120.40 118.00 1y4g s VAL 18 Ca 0.29 1.90 -0.25 0.00 0.00 0.00 0.00 61.98 63.92 1y4g s VAL 18 Cb 0.20 -4.25 0.04 0.00 0.00 0.00 0.00 36.38 32.38 1y4g s VAL 18 CO 0.30 0.23 1.11 0.21 0.00 0.00 0.00 175.10 176.95 1y4g s ASN 19 N 0.67 6.25 0.26 3.32 3.84 -1.26 -4.91 114.94 123.11 1y4g s ASN 19 Ca 0.47 -0.48 -0.05 0.00 0.21 0.00 0.00 52.86 53.01 1y4g s ASN 19 Cb -0.21 -2.49 0.29 0.00 -0.55 0.00 0.00 41.25 38.29 1y4g s ASN 19 CO 0.26 -1.54 1.90 0.58 -2.79 0.00 0.00 177.10 175.51 1y4g h VAL 20 N 6.03 1.25 -0.26 -5.21 2.07 -1.95 -1.64 116.25 116.54 1y4g h VAL 20 Ca -0.27 -0.55 0.05 0.00 0.82 0.00 0.00 66.70 66.75 1y4g h VAL 20 Cb 1.06 -0.01 -0.04 0.00 -1.52 0.00 0.00 31.29 30.78 1y4g h VAL 20 CO 1.20 0.26 -0.01 0.44 0.02 0.00 0.00 177.57 179.48 1y4g h ASP 21 N 1.24 -0.12 -0.12 0.57 5.19 -1.93 -0.23 116.42 121.01 1y4g h ASP 21 Ca 0.32 0.06 -0.09 0.00 -0.62 0.00 0.00 57.03 56.70 1y4g h ASP 21 Cb -0.05 0.11 0.00 0.00 0.18 0.00 0.00 39.33 39.58 1y4g h ASP 21 CO -0.06 -0.03 -0.29 -0.33 -3.12 0.00 0.00 179.24 175.41 1y4g h GLU 22 N 0.07 0.40 -0.49 3.56 5.08 -1.90 -2.96 114.58 118.34 1y4g h GLU 22 Ca 0.12 -0.27 -0.09 0.00 -1.00 0.00 0.00 59.36 58.12 1y4g h GLU 22 Cb 0.16 0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.44 1y4g h GLU 22 CO -0.22 0.89 -0.03 0.28 -1.00 0.00 0.00 179.01 178.93 1y4g h VAL 23 N -0.02 1.27 0.28 3.13 2.07 -1.26 -0.98 116.25 120.74 1y4g h VAL 23 Ca -0.00 -1.12 -0.01 0.00 0.82 0.00 0.00 66.70 66.39 1y4g h VAL 23 Cb 0.89 1.02 -0.01 0.00 -1.52 0.00 0.00 31.29 31.67 1y4g h VAL 23 CO 0.06 0.39 -0.19 1.23 0.02 0.00 0.00 177.57 179.08 1y4g h GLY 24 N 0.74 -0.48 0.54 2.17 0.00 -1.13 0.14 103.07 105.05 1y4g h GLY 24 Ca 0.13 0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.75 1y4g h GLY 24 CO 0.03 -0.19 0.28 -1.33 0.00 0.00 0.00 176.54 175.33 1y4g h GLY 25 N -0.47 0.88 1.17 4.60 0.00 -1.47 -1.19 103.07 106.60 1y4g h GLY 25 Ca -0.02 -0.18 -0.17 0.00 0.00 0.00 0.00 47.33 46.96 1y4g h GLY 25 CO 0.01 0.06 -0.45 -2.09 0.00 0.00 0.00 176.54 174.08 1y4g h GLU 26 N 0.52 0.89 -0.32 4.80 4.81 -0.92 -1.28 114.58 123.08 1y4g h GLU 26 Ca 0.29 -0.50 -0.07 0.00 -0.13 0.00 0.00 59.36 58.95 1y4g h GLU 26 Cb 0.28 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 1y4g h GLU 26 CO -0.24 1.15 -0.05 0.00 -0.73 0.00 0.00 179.01 179.14 1y4g h ALA 27 N 0.77 0.44 -0.32 2.92 0.00 -0.46 -0.28 119.26 122.33 1y4g h ALA 27 Ca 0.04 -0.28 -0.15 0.00 0.00 0.00 0.00 54.91 54.53 1y4g h ALA 27 Cb 1.04 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 1y4g h ALA 27 CO 0.10 0.25 -0.41 1.25 0.00 0.00 0.00 179.25 180.45 1y4g h LEU 28 N 0.39 0.84 0.36 0.00 5.85 -1.23 -1.07 115.31 120.46 1y4g h LEU 28 Ca 0.08 -0.39 -0.02 0.00 0.84 0.00 0.00 57.88 58.40 1y4g h LEU 28 Cb 0.53 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.33 1y4g h LEU 28 CO 0.03 1.14 -0.17 1.23 -0.34 0.00 0.00 178.44 180.33 1y4g h GLY 29 N 0.89 -0.51 0.76 3.75 0.00 -1.19 -2.55 103.07 104.22 1y4g h GLY 29 Ca 0.05 0.19 0.09 0.00 0.00 0.00 0.00 47.33 47.66 1y4g h GLY 29 CO 0.09 -0.18 0.58 3.21 0.00 0.00 0.00 176.54 180.23 1y4g h ARG 30 N -0.49 0.89 -0.46 4.80 3.08 -0.93 -2.14 114.38 119.13 1y4g h ARG 30 Ca -0.05 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 59.98 1y4g h ARG 30 Cb 0.37 -0.20 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 1y4g h ARG 30 CO 0.08 0.59 0.25 1.25 -1.07 0.00 0.00 179.97 181.08 1y4g h LEU 31 N 0.92 0.39 -1.29 3.04 5.85 -0.84 0.16 115.31 123.54 1y4g h LEU 31 Ca 0.41 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.07 1y4g h LEU 31 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.31 1y4g h LEU 31 CO -0.17 0.28 -0.34 -0.07 -0.34 0.00 0.00 178.44 177.80 1y4g h LEU 32 N 0.51 0.00 0.04 2.25 3.38 -1.01 -1.15 115.31 119.33 1y4g h LEU 32 Ca 0.19 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.99 1y4g h LEU 32 Cb 0.06 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1y4g h LEU 32 CO -0.11 0.34 -0.89 0.58 0.09 0.00 0.00 178.44 178.46 1y4g h VAL 33 N 0.00 1.26 -0.10 1.22 2.07 -0.89 -3.27 116.25 116.55 1y4g h VAL 33 Ca -0.00 -2.32 -0.13 0.00 0.82 0.00 0.00 66.70 65.06 1y4g h VAL 33 Cb 0.66 2.80 -0.01 0.00 -1.52 0.00 0.00 31.29 33.22 1y4g h VAL 33 CO 0.04 0.55 -0.51 0.58 0.02 0.00 0.00 177.57 178.26 1y4g h VAL 34 N -0.74 1.35 -2.62 2.57 2.07 -0.73 -3.36 116.25 114.78 1y4g h VAL 34 Ca -0.21 -1.75 -0.60 0.00 0.82 0.00 0.00 66.70 64.96 1y4g h VAL 34 Cb 1.37 1.83 -0.40 0.00 -1.52 0.00 0.00 31.29 32.57 1y4g h VAL 34 CO -0.04 0.52 -0.76 -1.22 0.02 0.00 0.00 177.57 176.09 1y4g n TYR 35 N -3.95 1.55 0.27 1.57 4.01 -0.44 -4.99 117.16 115.19 1y4g n TYR 35 Ca -0.02 -3.88 0.18 0.00 -0.16 0.00 0.00 57.90 54.02 1y4g n TYR 35 Cb 0.55 -0.29 0.92 0.00 -0.31 0.00 0.00 39.34 40.21 1y4g n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y4g h PRO 36 N 5.18 0.00 -0.61 -0.72 0.11 -1.71 -0.41 132.00 133.83 1y4g h PRO 36 Ca 0.19 0.00 0.13 0.00 0.11 0.00 0.00 66.00 66.43 1y4g h PRO 36 Cb 0.81 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.88 1y4g h PRO 36 CO 0.59 0.00 0.42 0.78 -0.21 0.00 0.00 178.00 179.58 1y4g h GLY 37 N 0.00 0.40 2.00 -0.55 0.00 -1.92 -1.70 103.07 101.30 1y4g h GLY 37 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1y4g h GLY 37 CO -0.00 0.05 0.00 -0.91 0.00 0.00 0.00 176.54 175.68 1y4g h THR 38 N 0.26 0.00 0.00 4.70 1.35 -1.39 -2.73 112.91 115.10 1y4g h THR 38 Ca 0.29 -0.23 0.00 0.00 -0.55 0.00 0.00 66.41 65.93 1y4g h THR 38 Cb 0.80 1.13 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1y4g h THR 38 CO -0.06 0.00 0.00 1.56 -0.25 0.00 0.00 175.52 176.77 1y4g h GLN 39 N 0.00 0.00 -0.38 4.72 4.20 -1.50 -2.87 115.11 119.28 1y4g h GLN 39 Ca 0.00 0.00 0.11 0.00 0.06 0.00 0.00 58.65 58.82 1y4g h GLN 39 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.01 1y4g h GLN 39 CO 0.00 0.00 0.39 0.07 -0.67 0.00 0.00 178.83 178.62 1y4g h ARG 40 N 0.00 0.00 -0.00 1.46 0.11 -1.68 0.31 114.38 114.58 1y4g h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y4g h ARG 40 Cb 0.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.18 1y4g h ARG 40 CO 0.00 0.00 -0.53 1.19 0.10 0.00 0.00 179.97 180.73 1y4g n PHE 41 N -3.80 0.00 -1.78 4.08 3.72 -1.08 -4.30 117.46 114.30 1y4g n PHE 41 Ca 0.07 0.00 0.01 0.00 -0.05 0.00 0.00 57.45 57.47 1y4g n PHE 41 Cb 0.56 -0.20 0.16 0.00 -0.94 0.00 0.00 39.48 39.06 1y4g n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1y4g n PHE 42 N -1.37 0.49 -0.20 1.38 3.72 0.09 -4.80 117.46 116.76 1y4g n PHE 42 Ca 0.06 -1.54 0.10 0.00 -0.05 0.00 0.00 57.45 56.01 1y4g n PHE 42 Cb 0.34 -0.26 0.39 0.00 -0.94 0.00 0.00 39.48 39.01 1y4g n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1y4g h GLU 43 N 1.23 0.66 0.00 -1.08 4.39 -1.74 -1.99 114.58 116.05 1y4g h GLU 43 Ca 0.04 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.70 1y4g h GLU 43 Cb 1.18 -0.15 0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1y4g h GLU 43 CO 0.14 0.43 0.00 -1.13 -1.16 0.00 0.00 179.01 177.29 1y4g n SER 44 N -4.50 0.00 0.09 1.42 3.41 -1.26 -3.56 113.62 109.21 1y4g n SER 44 Ca 0.13 -0.67 0.13 0.00 -0.26 0.00 0.00 58.87 58.20 1y4g n SER 44 Cb 0.35 -0.09 0.45 0.00 -0.26 0.00 0.00 64.21 64.66 1y4g n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y4g n PHE 45 N -1.09 0.70 0.00 7.33 3.01 -0.75 -5.02 117.46 121.64 1y4g n PHE 45 Ca 0.19 0.22 0.00 0.00 1.01 0.00 0.00 57.45 58.87 1y4g n PHE 45 Cb 0.14 -0.86 0.00 0.00 -0.01 0.00 0.00 39.48 38.76 1y4g n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y4g n GLY 46 N 1.01 0.22 3.69 1.37 0.00 -1.23 -4.76 105.19 105.49 1y4g n GLY 46 Ca 0.05 -1.97 -0.42 0.00 0.00 0.00 0.00 46.02 43.68 1y4g n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y4g s ASP 47 N -4.00 7.16 -0.03 1.61 2.15 -1.26 -4.89 116.67 117.41 1y4g s ASP 47 Ca 0.00 1.71 0.17 0.00 0.43 0.00 0.00 52.55 54.85 1y4g s ASP 47 Cb 0.00 -2.56 0.30 0.00 -0.30 0.00 0.00 42.92 40.36 1y4g s ASP 47 CO 0.00 -0.49 1.13 0.18 -0.17 0.00 0.00 175.17 175.82 1y4g n LEU 48 N 4.88 1.00 -0.08 -1.34 4.77 -1.26 -4.30 117.00 120.67 1y4g n LEU 48 Ca 0.09 -2.01 -0.05 0.00 -0.03 0.00 0.00 56.01 54.01 1y4g n LEU 48 Cb 0.48 -0.09 0.14 0.00 -2.33 0.00 0.00 43.42 41.62 1y4g n LEU 48 CO 0.54 0.55 0.79 0.77 -1.33 0.00 0.00 177.39 178.70 1y4g h SER 49 N 0.67 0.72 -3.47 -1.43 4.64 -1.94 -3.45 113.55 109.29 1y4g h SER 49 Ca -0.13 -0.21 -0.42 0.00 -0.47 0.00 0.00 61.79 60.56 1y4g h SER 49 Cb 1.61 -0.19 -0.14 0.00 -0.31 0.00 0.00 62.40 63.36 1y4g h SER 49 CO 0.06 0.86 -0.68 0.42 -0.87 0.00 0.00 176.83 176.62 1y4g s THR 50 N -4.76 1.34 0.17 2.95 -4.23 -1.26 -5.05 115.64 104.80 1y4g s THR 50 Ca -0.09 -2.09 -0.15 0.00 -1.18 0.00 0.00 61.69 58.19 1y4g s THR 50 Cb 0.14 -2.30 0.05 0.00 1.34 0.00 0.00 72.50 71.72 1y4g s THR 50 CO 0.82 -0.38 1.81 -0.65 -0.54 0.00 0.00 174.62 175.67 1y4g h PRO 51 N 2.44 0.53 -0.38 3.99 0.11 -1.98 -0.76 132.00 135.95 1y4g h PRO 51 Ca -0.39 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.66 1y4g h PRO 51 Cb 1.22 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1y4g h PRO 51 CO 0.65 0.35 0.11 -0.44 -0.21 0.00 0.00 178.00 178.47 1y4g h ASP 52 N 0.55 0.50 -0.08 -2.05 3.32 -1.98 0.22 116.42 116.90 1y4g h ASP 52 Ca 0.18 -0.06 -0.02 0.00 0.02 0.00 0.00 57.03 57.15 1y4g h ASP 52 Cb 0.02 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.43 1y4g h ASP 52 CO -0.09 0.49 -0.02 0.00 -1.72 0.00 0.00 179.24 177.91 1y4g h ALA 53 N 1.58 0.12 0.10 3.45 0.00 -1.74 -2.40 119.26 120.37 1y4g h ALA 53 Ca 0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1y4g h ALA 53 Cb 0.18 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1y4g h ALA 53 CO -0.01 -0.17 -0.05 0.28 0.00 0.00 0.00 179.25 179.30 1y4g h VAL 54 N -0.16 0.99 -0.01 0.00 2.07 -0.49 -0.99 116.25 117.65 1y4g h VAL 54 Ca 0.02 -0.35 -0.02 0.00 0.82 0.00 0.00 66.70 67.18 1y4g h VAL 54 Cb 0.41 1.21 -0.00 0.00 -1.52 0.00 0.00 31.29 31.39 1y4g h VAL 54 CO 0.01 0.08 -0.08 0.24 0.02 0.00 0.00 177.57 177.84 1y4g h MET 55 N -0.30 0.02 0.00 1.57 2.07 -0.65 -1.93 114.93 115.72 1y4g h MET 55 Ca -0.01 -0.00 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1y4g h MET 55 Cb 0.25 -0.00 0.00 0.00 -1.87 0.00 0.00 31.60 29.97 1y4g h MET 55 CO 0.02 0.10 -0.64 0.41 1.07 0.00 0.00 176.91 177.88 1y4g n GLY 56 N -1.28 -1.36 3.65 8.32 0.00 -0.90 -4.87 105.19 108.75 1y4g n GLY 56 Ca -0.03 -0.28 -0.43 0.00 0.00 0.00 0.00 46.02 45.28 1y4g n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y4g n ASN 57 N -1.98 3.95 0.15 1.61 2.85 -0.39 -4.85 115.26 116.61 1y4g n ASN 57 Ca 0.04 0.78 0.03 0.00 -0.11 0.00 0.00 54.58 55.32 1y4g n ASN 57 Cb 0.42 -1.52 0.41 0.00 1.24 0.00 0.00 39.78 40.33 1y4g n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y4g h PRO 58 N 11.28 0.14 0.00 1.20 0.13 -1.90 -1.75 132.00 141.10 1y4g h PRO 58 Ca -0.48 -0.04 -0.14 0.00 -0.87 0.00 0.00 66.00 64.48 1y4g h PRO 58 Cb 1.24 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.34 1y4g h PRO 58 CO 0.94 0.33 -0.64 0.87 -0.23 0.00 0.00 178.00 179.27 1y4g h LYS 59 N 0.14 0.00 -0.14 0.86 1.57 -1.89 -0.67 116.57 116.44 1y4g h LYS 59 Ca 0.03 0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.75 1y4g h LYS 59 Cb 0.42 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.72 1y4g h LYS 59 CO 0.03 0.64 -0.12 0.28 -0.57 0.00 0.00 179.45 179.71 1y4g h VAL 60 N 0.00 1.34 -0.57 0.50 2.07 -1.78 -0.43 116.25 117.38 1y4g h VAL 60 Ca -0.01 -1.25 0.02 0.00 0.82 0.00 0.00 66.70 66.28 1y4g h VAL 60 Cb 1.15 1.86 -0.03 0.00 -1.52 0.00 0.00 31.29 32.74 1y4g h VAL 60 CO 0.08 0.36 0.36 0.11 0.02 0.00 0.00 177.57 178.51 1y4g h LYS 61 N -0.04 0.70 -0.50 1.57 1.57 -1.19 -0.41 116.57 118.26 1y4g h LYS 61 Ca 0.02 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1y4g h LYS 61 Cb 0.63 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1y4g h LYS 61 CO 0.03 0.46 -0.19 0.00 -0.57 0.00 0.00 179.45 179.19 1y4g h ALA 62 N 1.23 0.70 -0.14 3.86 0.00 -1.06 -2.77 119.26 121.08 1y4g h ALA 62 Ca 0.22 -0.38 -0.11 0.00 0.00 0.00 0.00 54.91 54.64 1y4g h ALA 62 Cb -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 1y4g h ALA 62 CO -0.08 0.67 -0.40 1.25 0.00 0.00 0.00 179.25 180.69 1y4g h HIS 63 N 0.88 0.37 -0.79 0.00 -0.00 -0.72 -2.64 115.15 112.25 1y4g h HIS 63 Ca 0.12 -0.10 0.02 0.00 -0.00 0.00 0.00 60.37 60.41 1y4g h HIS 63 Cb 0.77 -0.08 -0.05 0.00 -0.00 0.00 0.00 27.41 28.05 1y4g h HIS 63 CO 0.05 0.67 0.51 0.78 -0.00 0.00 0.00 177.93 179.94 1y4g h GLY 64 N 1.18 1.13 0.99 5.26 0.00 -0.92 -1.26 103.07 109.45 1y4g h GLY 64 Ca 0.02 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.93 1y4g h GLY 64 CO 0.07 0.35 0.24 1.70 0.00 0.00 0.00 176.54 178.90 1y4g h LYS 65 N 1.01 0.85 0.09 4.80 3.64 -1.22 0.35 116.57 126.09 1y4g h LYS 65 Ca 0.31 -0.15 -0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1y4g h LYS 65 Cb -0.03 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1y4g h LYS 65 CO -0.10 0.73 -0.04 -0.22 -2.27 0.00 0.00 179.45 177.55 1y4g h LYS 66 N 0.79 -0.11 -0.00 1.90 3.64 -1.12 0.71 116.57 122.38 1y4g h LYS 66 Ca 0.19 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.60 1y4g h LYS 66 Cb 0.19 0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.01 1y4g h LYS 66 CO -0.02 -0.01 -0.08 0.28 -2.27 0.00 0.00 179.45 177.35 1y4g h VAL 67 N -0.19 0.79 0.00 2.00 2.07 -1.06 -1.72 116.25 118.14 1y4g h VAL 67 Ca -0.01 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.48 1y4g h VAL 67 Cb 0.15 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1y4g h VAL 67 CO 0.02 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 177.71 1y4g h LEU 68 N -0.14 0.00 -0.21 2.57 5.85 -0.91 -1.67 115.31 120.80 1y4g h LEU 68 Ca 0.03 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.71 1y4g h LEU 68 Cb 0.18 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1y4g h LEU 68 CO -0.09 0.15 -0.02 1.23 -0.34 0.00 0.00 178.44 179.37 1y4g h GLY 69 N 1.20 0.42 1.83 3.75 0.00 -0.06 0.21 103.07 110.42 1y4g h GLY 69 Ca -0.00 -0.33 -0.08 0.00 0.00 0.00 0.00 47.33 46.92 1y4g h GLY 69 CO 0.02 0.30 -0.29 0.00 0.00 0.00 0.00 176.54 176.57 1y4g h ALA 70 N 0.77 1.31 -0.14 3.60 0.00 -0.84 -1.89 119.26 122.07 1y4g h ALA 70 Ca 0.06 -0.32 -0.02 0.00 0.00 0.00 0.00 54.91 54.63 1y4g h ALA 70 Cb 0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 1y4g h ALA 70 CO 0.02 0.48 0.02 0.35 0.00 0.00 0.00 179.25 180.11 1y4g h PHE 71 N 0.18 0.25 -0.34 0.00 3.04 -1.11 -2.31 116.94 116.66 1y4g h PHE 71 Ca 0.03 -0.04 0.07 0.00 3.98 0.00 0.00 57.97 62.01 1y4g h PHE 71 Cb 0.61 -0.07 -0.08 0.00 2.56 0.00 0.00 35.95 38.97 1y4g h PHE 71 CO 0.01 0.42 -0.30 0.77 -2.02 0.00 0.00 178.31 177.19 1y4g h SER 72 N 0.01 -0.98 -0.21 0.41 0.02 -0.48 -1.14 113.55 111.19 1y4g h SER 72 Ca 0.04 0.17 0.02 0.00 -0.84 0.00 0.00 61.79 61.19 1y4g h SER 72 Cb 0.30 0.46 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 1y4g h SER 72 CO 0.00 -0.31 0.14 0.44 -1.14 0.00 0.00 176.83 175.96 1y4g h ASP 73 N -0.26 0.17 -0.06 3.07 3.32 -1.23 -0.62 116.42 120.82 1y4g h ASP 73 Ca 0.16 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.16 1y4g h ASP 73 Cb 0.52 -0.04 -0.01 0.00 0.22 0.00 0.00 39.33 40.01 1y4g h ASP 73 CO -0.48 0.12 -0.08 1.23 -1.72 0.00 0.00 179.24 178.31 1y4g h GLY 74 N 0.20 0.33 2.00 2.75 0.00 -0.64 -2.74 103.07 104.97 1y4g h GLY 74 Ca 0.08 -0.19 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1y4g h GLY 74 CO -0.02 0.18 0.00 1.41 0.00 0.00 0.00 176.54 178.11 1y4g h LEU 75 N 0.30 0.00 -1.58 3.11 3.38 -0.64 0.79 115.31 120.67 1y4g h LEU 75 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y4g h LEU 75 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 1y4g h LEU 75 CO 0.02 0.00 0.00 0.00 0.09 0.00 0.00 178.44 178.55 1y4g n ALA 76 N -1.92 2.49 -2.05 1.53 0.00 -1.03 -4.23 120.51 115.30 1y4g n ALA 76 Ca 0.00 -0.68 0.05 0.00 0.00 0.00 0.00 53.44 52.81 1y4g n ALA 76 Cb 0.19 -0.99 0.12 0.00 0.00 0.00 0.00 19.45 18.76 1y4g n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y4g n HIS 77 N 0.81 0.04 0.20 0.00 8.25 0.26 -4.91 115.22 119.87 1y4g n HIS 77 Ca 0.17 -1.03 0.13 0.00 -0.26 0.00 0.00 57.72 56.73 1y4g n HIS 77 Cb 0.46 -0.20 0.69 0.00 1.12 0.00 0.00 29.99 32.05 1y4g n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y4g h LEU 78 N 1.03 0.00 0.00 2.41 3.38 -1.71 0.58 115.31 120.99 1y4g h LEU 78 Ca -0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1y4g h LEU 78 Cb 1.44 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.19 1y4g h LEU 78 CO 0.06 0.00 -0.31 0.47 0.09 0.00 0.00 178.44 178.75 1y4g n ASP 79 N -2.40 0.40 -3.08 -0.43 8.00 -1.26 -4.23 116.55 113.56 1y4g n ASP 79 Ca -0.02 0.14 -0.17 0.00 0.71 0.00 0.00 54.79 55.46 1y4g n ASP 79 Cb 0.05 -0.12 -0.01 0.00 -0.02 0.00 0.00 41.12 41.02 1y4g n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1y4g n ASN 80 N -1.68 -0.17 -0.16 -2.24 5.15 0.20 -4.75 115.26 111.61 1y4g n ASN 80 Ca 0.06 -3.08 -0.10 0.00 -0.60 0.00 0.00 54.58 50.85 1y4g n ASN 80 Cb 0.36 0.01 -0.00 0.00 -0.53 0.00 0.00 39.78 39.62 1y4g n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y4g h LEU 81 N 3.31 0.83 -0.26 1.20 3.38 -1.73 -1.54 115.31 120.49 1y4g h LEU 81 Ca 0.04 -0.32 0.02 0.00 0.09 0.00 0.00 57.88 57.70 1y4g h LEU 81 Cb 0.98 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.48 1y4g h LEU 81 CO 0.41 0.95 0.13 0.11 0.09 0.00 0.00 178.44 180.13 1y4g h LYS 82 N 0.68 0.26 -0.49 1.13 6.56 -1.91 -0.51 116.57 122.31 1y4g h LYS 82 Ca 0.13 -0.02 -0.03 0.00 -1.06 0.00 0.00 60.65 59.67 1y4g h LYS 82 Cb 0.54 -0.06 -0.02 0.00 -0.57 0.00 0.00 32.23 32.12 1y4g h LYS 82 CO 0.03 0.17 0.18 0.78 -2.06 0.00 0.00 179.45 178.55 1y4g h GLY 83 N 0.27 0.79 1.28 3.86 0.00 -1.94 -1.87 103.07 105.46 1y4g h GLY 83 Ca 0.11 -0.45 -0.01 0.00 0.00 0.00 0.00 47.33 46.98 1y4g h GLY 83 CO -0.08 0.42 0.38 -0.84 0.00 0.00 0.00 176.54 176.42 1y4g h THR 84 N 0.65 1.21 -0.50 4.70 2.02 -0.81 -3.18 112.91 116.99 1y4g h THR 84 Ca 0.16 -0.51 0.00 0.00 0.77 0.00 0.00 66.41 66.83 1y4g h THR 84 Cb 0.22 0.27 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 1y4g h THR 84 CO -0.01 0.23 0.00 0.49 0.37 0.00 0.00 175.52 176.60 1y4g n PHE 85 N -4.37 0.66 -0.06 3.16 3.72 -0.24 -4.66 117.46 115.66 1y4g n PHE 85 Ca 0.07 -0.43 -0.07 0.00 -0.05 0.00 0.00 57.45 56.96 1y4g n PHE 85 Cb 0.10 -0.01 -0.01 0.00 -0.94 0.00 0.00 39.48 38.62 1y4g n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y4g h ALA 86 N 3.35 0.10 -0.69 4.37 0.00 -1.32 0.21 119.26 125.27 1y4g h ALA 86 Ca 0.00 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 1y4g h ALA 86 Cb 0.86 0.31 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1y4g h ALA 86 CO 0.00 -0.53 0.24 1.79 0.00 0.00 0.00 179.25 180.76 1y4g h THR 87 N -0.09 1.25 -0.26 0.00 1.35 -1.84 -1.07 112.91 112.24 1y4g h THR 87 Ca 0.14 -0.83 -0.08 0.00 -0.55 0.00 0.00 66.41 65.09 1y4g h THR 87 Cb 0.30 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1y4g h THR 87 CO -0.33 0.33 -0.19 -0.07 -0.25 0.00 0.00 175.52 175.01 1y4g h LEU 88 N 1.00 0.46 -0.06 3.87 4.07 -1.76 -1.33 115.31 121.56 1y4g h LEU 88 Ca 0.23 -0.14 -0.01 0.00 0.08 0.00 0.00 57.88 58.04 1y4g h LEU 88 Cb 0.26 -0.12 -0.00 0.00 1.08 0.00 0.00 40.66 41.87 1y4g h LEU 88 CO -0.01 0.67 0.02 -1.28 -1.08 0.00 0.00 178.44 176.75 1y4g h SER 89 N 0.43 0.09 -0.48 -0.43 0.87 0.02 -0.79 113.55 113.24 1y4g h SER 89 Ca 0.07 -0.22 0.07 0.00 -1.23 0.00 0.00 61.79 60.48 1y4g h SER 89 Cb 0.58 -0.02 -0.06 0.00 -0.44 0.00 0.00 62.40 62.46 1y4g h SER 89 CO 0.04 0.28 0.16 -0.33 -0.53 0.00 0.00 176.83 176.46 1y4g h GLU 90 N -0.11 0.33 -0.72 2.24 5.08 -0.97 -1.73 114.58 118.71 1y4g h GLU 90 Ca 0.02 -0.02 -0.06 0.00 -1.00 0.00 0.00 59.36 58.30 1y4g h GLU 90 Cb 0.23 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.37 1y4g h GLU 90 CO -0.00 0.22 0.20 1.25 -1.00 0.00 0.00 179.01 179.68 1y4g h LEU 91 N 0.34 1.06 -1.32 1.33 5.85 -1.15 0.23 115.31 121.64 1y4g h LEU 91 Ca 0.23 -0.21 -0.06 0.00 0.84 0.00 0.00 57.88 58.69 1y4g h LEU 91 Cb 0.25 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1y4g h LEU 91 CO -0.24 0.99 -0.14 0.45 -0.34 0.00 0.00 178.44 179.16 1y4g h HIS 92 N 1.07 0.30 0.00 1.25 3.86 -0.69 -1.28 115.15 119.66 1y4g h HIS 92 Ca 0.23 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1y4g h HIS 92 Cb 0.33 -0.08 -0.00 0.00 1.06 0.00 0.00 27.41 28.72 1y4g h HIS 92 CO 0.03 0.42 -0.10 0.00 0.86 0.00 0.00 177.93 179.14 1y4g h ASP 94 N -1.00 0.53 0.00 0.00 3.32 -0.63 -3.14 116.42 115.50 1y4g h ASP 94 Ca -0.00 -0.40 -0.38 0.00 0.02 0.00 0.00 57.03 56.26 1y4g h ASP 94 Cb 0.13 -0.16 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1y4g h ASP 94 CO -0.00 1.19 -2.35 0.29 -1.72 0.00 0.00 179.24 176.64 1y4g n LYS 95 N -3.77 0.55 0.10 3.56 4.01 -0.89 -4.71 118.16 117.01 1y4g n LYS 95 Ca -0.06 0.18 0.09 0.00 -0.51 0.00 0.00 58.31 58.01 1y4g n LYS 95 Cb 0.80 -1.43 0.00 0.00 -0.51 0.00 0.00 35.03 33.89 1y4g n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y4g h LEU 96 N -0.43 0.00 -1.58 -0.35 3.38 -1.35 -3.49 115.31 111.50 1y4g h LEU 96 Ca -0.57 0.00 -0.41 0.00 0.09 0.00 0.00 57.88 56.99 1y4g h LEU 96 Cb 1.68 0.00 0.07 0.00 0.09 0.00 0.00 40.66 42.51 1y4g h LEU 96 CO -0.23 0.11 -0.80 1.41 0.09 0.00 0.00 178.44 179.02 1y4g n HIS 97 N -2.76 -2.10 -3.34 1.13 8.25 -0.50 -4.98 115.22 110.92 1y4g n HIS 97 Ca -0.01 0.88 -0.39 0.00 -0.26 0.00 0.00 57.72 57.94 1y4g n HIS 97 Cb 0.60 -4.54 -0.08 0.00 1.12 0.00 0.00 29.99 27.09 1y4g n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y4g s VAL 98 N -3.53 5.15 0.01 1.59 1.01 -0.68 -5.03 120.40 118.92 1y4g s VAL 98 Ca 0.14 0.70 -0.32 0.00 0.00 0.00 0.00 61.98 62.50 1y4g s VAL 98 Cb -0.07 -3.74 -0.10 0.00 0.00 0.00 0.00 36.38 32.47 1y4g s VAL 98 CO 0.79 0.16 1.93 -0.67 0.00 0.00 0.00 175.10 177.31 1y4g n ASP 99 N 5.17 3.91 0.22 3.32 -0.08 -1.26 -4.77 116.55 123.05 1y4g n ASP 99 Ca -0.07 0.94 0.15 0.00 -1.51 0.00 0.00 54.79 54.29 1y4g n ASP 99 Cb 0.51 -1.48 0.77 0.00 2.34 0.00 0.00 41.12 43.26 1y4g n ASP 99 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1y4g h PRO 100 N 9.90 0.00 -0.60 -0.67 0.11 -1.97 -0.90 132.00 137.87 1y4g h PRO 100 Ca -0.49 0.00 0.09 0.00 0.11 0.00 0.00 66.00 65.71 1y4g h PRO 100 Cb 1.25 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1y4g h PRO 100 CO 0.94 0.00 0.40 1.49 -0.21 0.00 0.00 178.00 180.62 1y4g h GLU 101 N 0.00 0.43 0.00 1.05 4.57 -1.98 0.60 114.58 119.25 1y4g h GLU 101 Ca 0.00 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.15 1y4g h GLU 101 Cb 0.04 -0.10 -0.00 0.00 -0.16 0.00 0.00 28.75 28.53 1y4g h GLU 101 CO 0.00 0.28 -0.03 -0.91 -1.18 0.00 0.00 179.01 177.17 1y4g h ASN 102 N 0.44 0.00 -0.28 1.04 4.21 -1.53 -2.01 115.58 117.46 1y4g h ASN 102 Ca 0.27 0.00 -0.10 0.00 1.21 0.00 0.00 56.30 57.68 1y4g h ASN 102 Cb 0.49 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.67 1y4g h ASN 102 CO -0.08 0.03 -0.17 -0.26 -1.29 0.00 0.00 177.43 175.67 1y4g h PHE 103 N 0.00 0.80 -0.36 1.19 0.04 -1.05 -1.42 116.94 116.14 1y4g h PHE 103 Ca -0.00 -0.16 -0.16 0.00 2.80 0.00 0.00 57.97 60.45 1y4g h PHE 103 Cb 0.09 -0.20 -0.01 0.00 2.20 0.00 0.00 35.95 38.03 1y4g h PHE 103 CO 0.00 0.84 -0.41 0.00 -0.60 0.00 0.00 178.31 178.14 1y4g h ARG 104 N 0.64 0.90 -0.52 1.51 3.08 -1.45 -1.95 114.38 116.60 1y4g h ARG 104 Ca 0.10 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.67 1y4g h ARG 104 Cb 0.65 0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.70 1y4g h ARG 104 CO 0.05 1.13 0.33 -0.07 -1.07 0.00 0.00 179.97 180.34 1y4g h LEU 105 N 0.73 0.61 -0.73 3.04 3.38 -1.24 -2.26 115.31 118.83 1y4g h LEU 105 Ca 0.05 -0.03 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 1y4g h LEU 105 Cb 1.00 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.57 1y4g h LEU 105 CO 0.10 0.46 0.32 0.25 0.09 0.00 0.00 178.44 179.65 1y4g h LEU 106 N 0.70 0.99 -0.21 1.67 5.85 -1.13 -1.55 115.31 121.64 1y4g h LEU 106 Ca 0.19 -0.16 0.05 0.00 0.84 0.00 0.00 57.88 58.80 1y4g h LEU 106 Cb -0.05 -0.26 -0.06 0.00 0.37 0.00 0.00 40.66 40.66 1y4g h LEU 106 CO -0.04 0.88 -0.18 1.23 -0.34 0.00 0.00 178.44 179.99 1y4g h GLY 107 N 1.04 -0.07 1.16 3.75 0.00 -1.02 0.32 103.07 108.26 1y4g h GLY 107 Ca 0.25 0.23 -0.10 0.00 0.00 0.00 0.00 47.33 47.71 1y4g h GLY 107 CO -0.02 -0.17 -0.03 3.43 0.00 0.00 0.00 176.54 179.74 1y4g h ASN 108 N -0.19 0.98 -0.27 0.19 2.35 -1.17 -1.48 115.58 116.00 1y4g h ASN 108 Ca 0.12 -0.28 -0.00 0.00 -0.55 0.00 0.00 56.30 55.59 1y4g h ASN 108 Cb 0.38 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 1y4g h ASN 108 CO -0.32 1.05 0.16 0.58 -1.65 0.00 0.00 177.43 177.25 1y4g h VAL 109 N 0.91 1.10 -0.99 2.81 2.07 -0.85 -1.12 116.25 120.19 1y4g h VAL 109 Ca 0.16 -0.25 0.13 0.00 0.82 0.00 0.00 66.70 67.56 1y4g h VAL 109 Cb 0.57 0.79 -0.08 0.00 -1.52 0.00 0.00 31.29 31.04 1y4g h VAL 109 CO 0.03 0.10 0.62 0.25 0.02 0.00 0.00 177.57 178.60 1y4g h LEU 110 N 0.33 0.89 -0.55 2.57 5.85 -0.07 -0.28 115.31 124.04 1y4g h LEU 110 Ca 0.10 0.05 -0.12 0.00 0.84 0.00 0.00 57.88 58.75 1y4g h LEU 110 Cb 0.02 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1y4g h LEU 110 CO -0.02 0.46 -0.13 0.58 -0.34 0.00 0.00 178.44 178.99 1y4g h VAL 111 N 0.94 1.27 -0.29 1.05 2.07 -0.63 -0.84 116.25 119.82 1y4g h VAL 111 Ca 0.50 -1.29 -0.05 0.00 0.82 0.00 0.00 66.70 66.67 1y4g h VAL 111 Cb 0.54 0.99 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1y4g h VAL 111 CO -0.26 0.45 -0.05 0.00 0.02 0.00 0.00 177.57 177.73 1y4g h VAL 113 N 0.43 1.31 -1.00 0.00 2.07 -0.52 -1.02 116.25 117.52 1y4g h VAL 113 Ca 0.09 -1.29 0.01 0.00 0.82 0.00 0.00 66.70 66.33 1y4g h VAL 113 Cb 0.37 1.59 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1y4g h VAL 113 CO 0.02 0.40 0.66 -0.07 0.02 0.00 0.00 177.57 178.60 1y4g h LEU 114 N 0.28 1.16 -0.78 2.57 3.38 -0.99 -1.71 115.31 119.22 1y4g h LEU 114 Ca 0.05 -0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1y4g h LEU 114 Cb 0.70 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1y4g h LEU 114 CO 0.05 0.84 -0.39 0.00 0.09 0.00 0.00 178.44 179.04 1y4g h ALA 115 N 1.36 0.95 -0.30 1.53 0.00 -1.19 -1.34 119.26 120.28 1y4g h ALA 115 Ca 0.37 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.74 1y4g h ALA 115 Cb -0.15 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1y4g h ALA 115 CO -0.08 0.62 -0.31 1.25 0.00 0.00 0.00 179.25 180.74 1y4g h HIS 116 N 0.39 0.73 0.15 0.00 -0.00 -0.65 -1.41 115.15 114.36 1y4g h HIS 116 Ca 0.04 -0.18 -0.22 0.00 -0.00 0.00 0.00 60.37 60.01 1y4g h HIS 116 Cb 0.85 -0.17 0.02 0.00 -0.00 0.00 0.00 27.41 28.12 1y4g h HIS 116 CO 0.03 0.87 -0.94 0.45 -0.00 0.00 0.00 177.93 178.33 1y4g h HIS 117 N 0.54 0.65 -0.00 5.26 -0.00 -1.24 -3.38 115.15 116.98 1y4g h HIS 117 Ca 0.06 -0.46 0.00 0.00 -0.00 0.00 0.00 60.37 59.97 1y4g h HIS 117 Cb 0.79 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 28.17 1y4g h HIS 117 CO 0.03 1.35 -0.62 1.19 -0.00 0.00 0.00 177.93 179.89 1y4g n PHE 118 N -4.04 0.00 0.00 2.45 3.72 -0.51 -5.00 117.46 114.07 1y4g n PHE 118 Ca -0.14 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.26 1y4g n PHE 118 Cb 0.87 -0.17 0.00 0.00 -0.94 0.00 0.00 39.48 39.25 1y4g n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y4g n GLY 119 N 1.49 2.87 0.36 1.37 0.00 -0.53 -1.62 105.19 109.13 1y4g n GLY 119 Ca 0.06 0.26 0.22 0.00 0.00 0.00 0.00 46.02 46.57 1y4g n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y4g h LYS 120 N 0.00 0.40 0.00 1.61 1.79 -1.95 -0.15 116.57 118.28 1y4g h LYS 120 Ca 0.00 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.42 1y4g h LYS 120 Cb 0.00 -0.09 -0.00 0.00 -1.58 0.00 0.00 32.23 30.56 1y4g h LYS 120 CO 0.00 0.26 -0.12 1.49 -1.08 0.00 0.00 179.45 180.01 1y4g h GLU 121 N 0.41 0.00 -3.14 3.15 4.81 -1.71 -3.31 114.58 114.79 1y4g h GLU 121 Ca 0.68 0.00 -0.72 0.00 -0.13 0.00 0.00 59.36 59.20 1y4g h GLU 121 Cb 1.56 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 30.87 1y4g h GLU 121 CO -0.49 0.12 2.92 0.34 -0.73 0.00 0.00 179.01 181.17 1y4g n PHE 122 N -3.20 2.76 -1.19 0.92 7.35 -0.07 -4.91 117.46 119.13 1y4g n PHE 122 Ca 0.01 -2.93 -0.29 0.00 -0.76 0.00 0.00 57.45 53.48 1y4g n PHE 122 Cb 0.44 -2.19 0.16 0.00 0.35 0.00 0.00 39.48 38.24 1y4g n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y4g s THR 123 N 0.91 2.40 0.19 -2.13 -4.23 -1.25 -4.66 115.64 106.88 1y4g s THR 123 Ca 0.55 0.13 -0.12 0.00 -1.18 0.00 0.00 61.69 61.07 1y4g s THR 123 Cb 0.16 -2.61 0.10 0.00 1.34 0.00 0.00 72.50 71.48 1y4g s THR 123 CO -0.06 -0.17 1.75 -0.65 -0.54 0.00 0.00 174.62 174.94 1y4g h PRO 124 N -1.71 0.34 -0.71 3.99 0.11 -1.94 0.20 132.00 132.30 1y4g h PRO 124 Ca -0.52 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.56 1y4g h PRO 124 Cb 1.30 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.30 1y4g h PRO 124 CO 0.56 0.23 0.41 -1.35 -0.21 0.00 0.00 178.00 177.63 1y4g h PRO 125 N 0.35 0.96 -0.39 1.05 0.11 -1.99 -1.60 132.00 130.49 1y4g h PRO 125 Ca 0.25 -0.09 -0.11 0.00 0.11 0.00 0.00 66.00 66.16 1y4g h PRO 125 Cb 0.27 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.17 1y4g h PRO 125 CO -0.26 0.69 -0.17 0.28 -0.21 0.00 0.00 178.00 178.33 1y4g h VAL 126 N 0.97 1.28 -0.58 3.15 2.07 -1.42 -2.83 116.25 118.89 1y4g h VAL 126 Ca 0.25 -1.30 0.05 0.00 0.82 0.00 0.00 66.70 66.52 1y4g h VAL 126 Cb -0.01 1.28 -0.05 0.00 -1.52 0.00 0.00 31.29 30.99 1y4g h VAL 126 CO -0.05 0.43 0.31 -0.61 0.02 0.00 0.00 177.57 177.68 1y4g h GLN 127 N 0.62 0.57 -0.56 1.57 4.15 -0.83 -1.97 115.11 118.66 1y4g h GLN 127 Ca 0.09 -0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.51 1y4g h GLN 127 Cb 0.72 -0.13 -0.04 0.00 0.21 0.00 0.00 27.48 28.24 1y4g h GLN 127 CO 0.05 0.38 0.31 0.00 -1.93 0.00 0.00 178.83 177.65 1y4g h ALA 128 N 1.31 0.72 -0.71 3.38 0.00 -1.06 0.22 119.26 123.12 1y4g h ALA 128 Ca 0.26 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 55.11 1y4g h ALA 128 Cb 0.15 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1y4g h ALA 128 CO -0.17 -0.00 0.18 0.00 0.00 0.00 0.00 179.25 179.26 1y4g h ALA 129 N 1.28 0.93 -0.15 0.00 0.00 -1.36 -2.41 119.26 117.55 1y4g h ALA 129 Ca 0.24 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1y4g h ALA 129 Cb 0.10 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1y4g h ALA 129 CO -0.14 0.65 -0.21 1.88 0.00 0.00 0.00 179.25 181.43 1y4g h TYR 130 N 1.06 0.29 -0.19 0.00 0.05 -0.48 -2.14 116.97 115.56 1y4g h TYR 130 Ca 0.22 -0.05 -0.11 0.00 0.05 0.00 0.00 58.73 58.85 1y4g h TYR 130 Cb 0.36 -0.08 -0.01 0.00 1.01 0.00 0.00 36.73 38.01 1y4g h TYR 130 CO 0.03 0.47 -0.34 1.96 -1.05 0.00 0.00 178.16 179.22 1y4g h GLN 131 N 0.24 0.40 -0.48 4.88 1.08 -0.20 -0.23 115.11 120.80 1y4g h GLN 131 Ca 0.04 -0.17 -0.12 0.00 -1.45 0.00 0.00 58.65 56.95 1y4g h GLN 131 Cb 0.52 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.92 1y4g h GLN 131 CO 0.03 0.69 -0.16 0.87 -0.95 0.00 0.00 178.83 179.32 1y4g h LYS 132 N 0.34 0.96 -0.18 1.46 1.57 -1.10 -2.42 116.57 117.20 1y4g h LYS 132 Ca 0.04 -0.39 -0.02 0.00 -1.87 0.00 0.00 60.65 58.41 1y4g h LYS 132 Cb 0.77 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 33.03 1y4g h LYS 132 CO 0.06 1.06 0.04 0.28 -0.57 0.00 0.00 179.45 180.32 1y4g h VAL 133 N 0.81 1.21 -0.38 0.50 2.07 -0.93 -0.37 116.25 119.17 1y4g h VAL 133 Ca 0.12 -0.68 -0.05 0.00 0.82 0.00 0.00 66.70 66.91 1y4g h VAL 133 Cb 0.73 1.32 -0.02 0.00 -1.52 0.00 0.00 31.29 31.81 1y4g h VAL 133 CO 0.06 0.21 0.02 0.58 0.02 0.00 0.00 177.57 178.45 1y4g h VAL 134 N 0.09 1.20 -0.22 2.57 2.07 -1.06 0.97 116.25 121.87 1y4g h VAL 134 Ca 0.05 -0.80 -0.21 0.00 0.82 0.00 0.00 66.70 66.57 1y4g h VAL 134 Cb 0.28 0.90 0.01 0.00 -1.52 0.00 0.00 31.29 30.96 1y4g h VAL 134 CO 0.00 0.28 -0.67 0.00 0.02 0.00 0.00 177.57 177.20 1y4g h ALA 135 N 1.46 0.38 -0.38 1.67 0.00 -1.32 -1.48 119.26 119.59 1y4g h ALA 135 Ca 0.12 -0.56 0.05 0.00 0.00 0.00 0.00 54.91 54.52 1y4g h ALA 135 Cb 0.33 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.03 1y4g h ALA 135 CO 0.01 0.68 0.11 0.78 0.00 0.00 0.00 179.25 180.82 1y4g h GLY 136 N 0.60 0.47 0.92 0.00 0.00 -0.42 0.56 103.07 105.21 1y4g h GLY 136 Ca -0.02 -0.05 -0.04 0.00 0.00 0.00 0.00 47.33 47.22 1y4g h GLY 136 CO 0.14 -0.00 0.08 -2.08 0.00 0.00 0.00 176.54 174.68 1y4g h VAL 137 N 0.25 1.23 -0.63 4.60 2.07 -0.75 -1.89 116.25 121.13 1y4g h VAL 137 Ca 0.18 -0.81 0.02 0.00 0.82 0.00 0.00 66.70 66.91 1y4g h VAL 137 Cb 0.18 1.04 -0.04 0.00 -1.52 0.00 0.00 31.29 30.96 1y4g h VAL 137 CO -0.21 0.27 0.40 0.00 0.02 0.00 0.00 177.57 178.05 1y4g h ALA 138 N 0.93 0.81 -0.72 1.67 0.00 -0.93 -0.95 119.26 120.07 1y4g h ALA 138 Ca 0.12 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.95 1y4g h ALA 138 Cb 0.33 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1y4g h ALA 138 CO 0.00 0.16 0.27 -0.91 0.00 0.00 0.00 179.25 178.78 1y4g h ASN 139 N 0.79 1.01 -0.10 0.00 -0.26 -0.70 -2.08 115.58 114.25 1y4g h ASN 139 Ca 0.25 -0.18 -0.12 0.00 -0.56 0.00 0.00 56.30 55.68 1y4g h ASN 139 Cb -0.02 -0.26 -0.01 0.00 -1.06 0.00 0.00 38.32 36.97 1y4g h ASN 139 CO -0.09 0.92 -0.32 0.00 -1.06 0.00 0.00 177.43 176.89 1y4g h ALA 140 N 1.13 0.94 0.00 -0.83 0.00 -1.08 -1.61 119.26 117.81 1y4g h ALA 140 Ca 0.24 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.72 1y4g h ALA 140 Cb 0.24 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.90 1y4g h ALA 140 CO -0.02 0.61 -0.16 -0.07 0.00 0.00 0.00 179.25 179.62 1y4g h LEU 141 N 0.49 0.00 -0.05 0.00 3.38 -0.78 -2.91 115.31 115.45 1y4g h LEU 141 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1y4g h LEU 141 Cb 0.79 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.54 1y4g h LEU 141 CO 0.06 0.16 -0.69 0.00 0.09 0.00 0.00 178.44 178.07 1y4g n ALA 142 N -2.20 4.02 -0.05 1.53 0.00 -0.82 -4.36 120.51 118.64 1y4g n ALA 142 Ca 0.00 -0.46 0.05 0.00 0.00 0.00 0.00 53.44 53.03 1y4g n ALA 142 Cb 0.39 -0.97 0.42 0.00 0.00 0.00 0.00 19.45 19.28 1y4g n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y4g h HIS 143 N 0.13 0.56 -0.41 0.00 6.17 -1.09 -2.53 115.15 117.99 1y4g h HIS 143 Ca 0.00 0.01 0.00 0.00 0.71 0.00 0.00 60.37 61.09 1y4g h HIS 143 Cb 0.51 -0.19 0.00 0.00 2.52 0.00 0.00 27.41 30.25 1y4g h HIS 143 CO 0.00 0.33 0.00 1.63 0.71 0.00 0.00 177.93 180.60 1y4g n LYS 144 N -4.47 2.23 -1.97 5.26 4.76 -1.26 -4.93 118.16 117.78 1y4g n LYS 144 Ca 0.05 -1.88 -0.40 0.00 -2.87 0.00 0.00 58.31 53.21 1y4g n LYS 144 Cb 0.13 -1.45 -0.00 0.00 -1.84 0.00 0.00 35.03 31.86 1y4g n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y4g s TYR 145 N -1.46 2.76 0.00 2.13 1.51 -0.95 -4.77 117.35 116.56 1y4g s TYR 145 Ca 0.37 1.33 0.00 0.00 -1.01 0.00 0.00 57.07 57.75 1y4g s TYR 145 Cb 0.20 -3.80 0.00 0.00 -0.11 0.00 0.00 41.96 38.25 1y4g s TYR 145 CO 0.28 -2.39 0.00 -2.39 -1.11 0.00 0.00 175.55 169.93