#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y4g s HIS 2 N 0.00 2.06 -0.15 2.03 5.04 -1.26 -4.98 115.29 118.03 1y4g s HIS 2 Ca 0.00 0.17 -0.03 0.00 -1.54 0.00 0.00 55.06 53.65 1y4g s HIS 2 Cb 0.00 -4.38 -0.03 0.00 0.04 0.00 0.00 32.58 28.22 1y4g s HIS 2 CO 0.00 -2.06 -0.03 -0.51 -2.34 0.00 0.00 174.74 169.80 1y4g s LEU 3 N 7.38 3.28 0.61 8.88 1.02 -1.26 -5.10 118.68 133.49 1y4g s LEU 3 Ca 0.53 -0.10 -0.12 0.00 0.02 0.00 0.00 54.13 54.46 1y4g s LEU 3 Cb -0.08 -1.79 -0.04 0.00 0.02 0.00 0.00 46.19 44.31 1y4g s LEU 3 CO 0.09 0.19 1.02 0.42 0.02 0.00 0.00 176.35 178.09 1y4g s THR 4 N 0.23 4.57 0.26 5.49 -4.23 -1.26 -4.86 115.64 115.85 1y4g s THR 4 Ca -0.02 0.93 -0.02 0.00 -1.18 0.00 0.00 61.69 61.40 1y4g s THR 4 Cb -0.14 -3.77 0.25 0.00 1.34 0.00 0.00 72.50 70.18 1y4g s THR 4 CO 0.03 -1.00 1.83 -0.65 -0.54 0.00 0.00 174.62 174.28 1y4g h PRO 5 N -0.08 0.89 0.00 3.99 0.11 -1.99 -0.17 132.00 134.74 1y4g h PRO 5 Ca -0.45 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.57 1y4g h PRO 5 Cb 1.19 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 32.10 1y4g h PRO 5 CO 0.61 0.59 -0.19 0.93 -0.21 0.00 0.00 178.00 179.73 1y4g h GLU 6 N 0.91 0.00 -0.08 1.05 4.39 -1.99 -1.77 114.58 117.09 1y4g h GLU 6 Ca 0.45 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.07 1y4g h GLU 6 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1y4g h GLU 6 CO -0.25 0.19 -0.24 0.93 -1.16 0.00 0.00 179.01 178.48 1y4g h GLU 7 N 0.00 0.31 -0.64 2.33 5.08 -1.56 -2.54 114.58 117.56 1y4g h GLU 7 Ca -0.00 -0.22 0.03 0.00 -1.00 0.00 0.00 59.36 58.16 1y4g h GLU 7 Cb 0.86 0.04 -0.03 0.00 0.50 0.00 0.00 28.75 30.11 1y4g h GLU 7 CO 0.03 0.84 0.42 -0.22 -1.00 0.00 0.00 179.01 179.08 1y4g h LYS 8 N -0.16 0.75 -0.16 2.33 3.64 -0.81 -0.13 116.57 122.03 1y4g h LYS 8 Ca -0.01 -0.04 -0.10 0.00 -1.27 0.00 0.00 60.65 59.23 1y4g h LYS 8 Cb 0.86 -0.17 0.00 0.00 -0.41 0.00 0.00 32.23 32.51 1y4g h LYS 8 CO 0.05 0.49 -0.30 1.03 -2.27 0.00 0.00 179.45 178.45 1y4g h SER 9 N 0.77 0.54 -0.49 4.20 0.87 -1.38 -1.78 113.55 116.28 1y4g h SER 9 Ca 0.25 -0.55 0.06 0.00 -1.23 0.00 0.00 61.79 60.33 1y4g h SER 9 Cb 0.05 -0.16 -0.05 0.00 -0.44 0.00 0.00 62.40 61.80 1y4g h SER 9 CO -0.07 0.99 0.19 0.00 -0.53 0.00 0.00 176.83 177.41 1y4g h ALA 10 N 0.57 0.60 -0.31 6.23 0.00 -0.84 0.33 119.26 125.84 1y4g h ALA 10 Ca 0.01 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 1y4g h ALA 10 Cb 0.89 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.69 1y4g h ALA 10 CO 0.07 -0.20 0.10 0.28 0.00 0.00 0.00 179.25 179.49 1y4g h VAL 11 N 0.37 1.20 -0.52 0.00 2.07 -0.98 -2.85 116.25 115.54 1y4g h VAL 11 Ca 0.23 -0.65 -0.07 0.00 0.82 0.00 0.00 66.70 67.03 1y4g h VAL 11 Cb 0.23 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 31.02 1y4g h VAL 11 CO -0.22 0.22 0.05 0.74 0.02 0.00 0.00 177.57 178.37 1y4g h THR 12 N 0.35 1.26 0.11 2.57 2.02 -1.05 -2.42 112.91 115.75 1y4g h THR 12 Ca 0.10 -1.02 0.00 0.00 0.77 0.00 0.00 66.41 66.27 1y4g h THR 12 Cb 0.24 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.52 1y4g h THR 12 CO -0.00 0.36 -0.29 0.00 0.37 0.00 0.00 175.52 175.96 1y4g h ALA 13 N 0.96 -0.84 -0.87 6.16 0.00 -0.23 -2.60 119.26 121.85 1y4g h ALA 13 Ca 0.15 -0.07 0.11 0.00 0.00 0.00 0.00 54.91 55.10 1y4g h ALA 13 Cb 0.46 0.66 -0.08 0.00 0.00 0.00 0.00 17.79 18.84 1y4g h ALA 13 CO 0.02 -0.90 0.50 1.25 0.00 0.00 0.00 179.25 180.13 1y4g h LEU 14 N -0.45 0.71 -1.91 0.00 5.85 -1.56 -1.94 115.31 116.02 1y4g h LEU 14 Ca -0.01 0.06 -0.02 0.00 0.84 0.00 0.00 57.88 58.74 1y4g h LEU 14 Cb 0.43 -0.08 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1y4g h LEU 14 CO -0.13 0.38 -0.12 -0.25 -0.34 0.00 0.00 178.44 177.98 1y4g h TRP 15 N 0.81 0.00 0.00 1.25 2.91 -1.14 -0.36 115.95 119.41 1y4g h TRP 15 Ca 0.44 0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.46 1y4g h TRP 15 Cb 0.46 0.00 -0.00 0.00 -0.51 0.00 0.00 29.16 29.11 1y4g h TRP 15 CO -0.05 0.12 -0.00 0.78 -1.03 0.00 0.00 178.44 178.25 1y4g h GLY 16 N 0.86 0.00 -1.14 2.65 0.00 -0.97 -1.87 103.07 102.59 1y4g h GLY 16 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y4g h GLY 16 CO 0.02 0.00 -0.05 0.28 0.00 0.00 0.00 176.54 176.78 1y4g n LYS 17 N -3.09 1.89 -3.06 4.80 5.02 -0.15 -4.94 118.16 118.64 1y4g n LYS 17 Ca -0.01 -1.39 -0.40 0.00 -2.02 0.00 0.00 58.31 54.49 1y4g n LYS 17 Cb 0.17 -1.47 -0.05 0.00 -0.02 0.00 0.00 35.03 33.66 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 -2.07 5.05 -0.72 -0.18 1.01 -0.71 -5.00 120.40 117.79 1y4g s VAL 18 Ca 0.31 1.43 -0.23 0.00 0.00 0.00 0.00 61.98 63.49 1y4g s VAL 18 Cb 0.20 -4.03 0.07 0.00 0.00 0.00 0.00 36.38 32.62 1y4g s VAL 18 CO 0.35 0.26 1.05 0.21 0.00 0.00 0.00 175.10 176.96 1y4g s ASN 19 N 0.78 6.24 0.33 3.32 3.84 -1.26 -4.92 114.94 123.27 1y4g s ASN 19 Ca 0.37 -1.09 0.01 0.00 0.21 0.00 0.00 52.86 52.37 1y4g s ASN 19 Cb -0.18 -2.44 0.55 0.00 -0.55 0.00 0.00 41.25 38.64 1y4g s ASN 19 CO 0.18 -1.44 1.94 -0.37 -2.79 0.00 0.00 177.10 174.61 1y4g h VAL 20 N 6.00 1.19 0.23 -5.21 -1.51 -1.94 -1.19 116.25 113.82 1y4g h VAL 20 Ca -0.21 -0.50 0.00 0.00 -1.23 0.00 0.00 66.70 64.77 1y4g h VAL 20 Cb 1.06 0.42 -0.02 0.00 -2.13 0.00 0.00 31.29 30.62 1y4g h VAL 20 CO 1.20 0.21 -0.23 0.44 -1.23 0.00 0.00 177.57 177.96 1y4g h ASP 21 N 0.82 -0.61 -0.27 4.19 5.19 -1.91 0.14 116.42 123.98 1y4g h ASP 21 Ca 0.21 0.06 -0.03 0.00 -0.62 0.00 0.00 57.03 56.65 1y4g h ASP 21 Cb 0.06 0.21 -0.01 0.00 0.18 0.00 0.00 39.33 39.77 1y4g h ASP 21 CO -0.03 -0.34 0.06 -0.08 -3.12 0.00 0.00 179.24 175.74 1y4g h GLU 22 N -0.49 0.43 -0.00 3.56 4.81 -1.86 -2.35 114.58 118.67 1y4g h GLU 22 Ca -0.00 -0.10 -0.11 0.00 -0.13 0.00 0.00 59.36 59.02 1y4g h GLU 22 Cb 0.46 -0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.77 1y4g h GLU 22 CO -0.05 0.52 -0.51 0.28 -0.73 0.00 0.00 179.01 178.52 1y4g h VAL 23 N 0.26 1.36 0.24 0.32 2.07 -1.18 -2.21 116.25 117.12 1y4g h VAL 23 Ca 0.08 -1.74 -0.01 0.00 0.82 0.00 0.00 66.70 65.85 1y4g h VAL 23 Cb 0.29 1.93 0.00 0.00 -1.52 0.00 0.00 31.29 31.99 1y4g h VAL 23 CO 0.00 0.50 -0.11 1.23 0.02 0.00 0.00 177.57 179.20 1y4g h GLY 24 N 1.52 -0.33 0.50 2.17 0.00 -0.56 0.39 103.07 106.75 1y4g h GLY 24 Ca -0.00 0.12 0.07 0.00 0.00 0.00 0.00 47.33 47.52 1y4g h GLY 24 CO 0.07 -0.12 0.20 -1.33 0.00 0.00 0.00 176.54 175.35 1y4g h GLY 25 N -0.45 0.72 1.02 4.60 0.00 -1.31 -1.38 103.07 106.27 1y4g h GLY 25 Ca -0.03 -0.11 -0.06 0.00 0.00 0.00 0.00 47.33 47.13 1y4g h GLY 25 CO 0.05 0.01 0.15 0.83 0.00 0.00 0.00 176.54 177.58 1y4g h GLU 26 N 0.38 0.96 -0.18 4.80 4.39 -1.27 -1.05 114.58 122.61 1y4g h GLU 26 Ca 0.26 -0.23 -0.12 0.00 0.34 0.00 0.00 59.36 59.61 1y4g h GLU 26 Cb 0.28 -0.13 0.00 0.00 -0.10 0.00 0.00 28.75 28.81 1y4g h GLU 26 CO -0.26 0.88 -0.34 0.00 -1.16 0.00 0.00 179.01 178.12 1y4g h ALA 27 N 1.04 0.28 -0.57 3.43 0.00 -0.64 -1.45 119.26 121.35 1y4g h ALA 27 Ca 0.19 -0.43 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1y4g h ALA 27 Cb 0.34 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 1y4g h ALA 27 CO 0.00 0.34 0.08 1.25 0.00 0.00 0.00 179.25 180.92 1y4g h LEU 28 N 0.20 0.93 -0.10 0.00 5.85 -1.28 -2.42 115.31 118.49 1y4g h LEU 28 Ca 0.01 -0.27 -0.00 0.00 0.84 0.00 0.00 57.88 58.45 1y4g h LEU 28 Cb 0.94 -0.25 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 1y4g h LEU 28 CO 0.08 0.96 0.05 1.23 -0.34 0.00 0.00 178.44 180.41 1y4g h GLY 29 N 0.86 0.15 1.11 3.75 0.00 -1.12 -2.54 103.07 105.27 1y4g h GLY 29 Ca 0.17 -0.08 0.07 0.00 0.00 0.00 0.00 47.33 47.50 1y4g h GLY 29 CO 0.01 0.07 0.42 3.21 0.00 0.00 0.00 176.54 180.25 1y4g h ARG 30 N 0.03 0.55 -0.54 4.80 3.08 -1.25 -1.86 114.38 119.18 1y4g h ARG 30 Ca 0.03 -0.03 -0.01 0.00 0.07 0.00 0.00 59.98 60.04 1y4g h ARG 30 Cb 0.12 -0.12 -0.03 0.00 0.08 0.00 0.00 29.97 30.02 1y4g h ARG 30 CO -0.00 0.36 0.30 1.25 -1.07 0.00 0.00 179.97 180.81 1y4g h LEU 31 N 0.57 0.68 -0.69 3.04 5.85 -1.04 0.16 115.31 123.87 1y4g h LEU 31 Ca 0.28 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.85 1y4g h LEU 31 Cb 0.35 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.20 1y4g h LEU 31 CO -0.08 0.57 -0.26 -0.07 -0.34 0.00 0.00 178.44 178.26 1y4g h LEU 32 N 0.73 0.00 0.00 2.25 3.38 -1.04 -1.04 115.31 119.59 1y4g h LEU 32 Ca 0.19 0.00 -0.12 0.00 0.09 0.00 0.00 57.88 58.04 1y4g h LEU 32 Cb 0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.77 1y4g h LEU 32 CO -0.03 0.26 -0.67 0.58 0.09 0.00 0.00 178.44 178.67 1y4g h VAL 33 N 0.00 1.30 -0.00 1.22 2.07 -1.05 -3.31 116.25 116.48 1y4g h VAL 33 Ca -0.00 -2.23 -0.14 0.00 0.82 0.00 0.00 66.70 65.15 1y4g h VAL 33 Cb 0.94 2.71 -0.02 0.00 -1.52 0.00 0.00 31.29 33.40 1y4g h VAL 33 CO 0.03 0.44 -0.65 0.58 0.02 0.00 0.00 177.57 177.99 1y4g h VAL 34 N -1.00 1.47 -2.33 2.57 2.07 -0.74 -3.36 116.25 114.93 1y4g h VAL 34 Ca -0.18 -2.23 -0.59 0.00 0.82 0.00 0.00 66.70 64.52 1y4g h VAL 34 Cb 1.15 2.20 -0.40 0.00 -1.52 0.00 0.00 31.29 32.71 1y4g h VAL 34 CO -0.11 0.64 -0.81 -1.22 0.02 0.00 0.00 177.57 176.09 1y4g n TYR 35 N -3.77 1.63 0.31 1.57 4.01 -0.40 -4.97 117.16 115.55 1y4g n TYR 35 Ca -0.01 -3.87 0.17 0.00 -0.16 0.00 0.00 57.90 54.02 1y4g n TYR 35 Cb 0.64 -0.38 0.88 0.00 -0.31 0.00 0.00 39.34 40.18 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 4.58 0.00 -0.57 -0.72 0.11 -1.72 0.10 132.00 133.78 1y4g h PRO 36 Ca 0.16 0.00 0.05 0.00 0.11 0.00 0.00 66.00 66.32 1y4g h PRO 36 Cb 0.78 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.86 1y4g h PRO 36 CO 0.63 0.00 0.38 0.78 -0.21 0.00 0.00 178.00 179.58 1y4g h GLY 37 N 0.00 0.70 1.79 -0.55 0.00 -1.90 -1.52 103.07 101.59 1y4g h GLY 37 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 47.33 47.10 1y4g h GLY 37 CO 0.00 0.19 0.00 -1.30 0.00 0.00 0.00 176.54 175.43 1y4g n THR 38 N -4.47 1.09 0.51 4.70 -2.24 0.02 -2.27 114.28 111.62 1y4g n THR 38 Ca 0.08 0.27 0.10 0.00 -2.27 0.00 0.00 64.05 62.23 1y4g n THR 38 Cb 0.21 -1.12 0.43 0.00 -2.10 0.00 0.00 70.33 67.74 1y4g n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y4g n GLN 39 N -1.40 0.11 0.33 -0.78 6.02 -0.57 -3.43 117.38 117.66 1y4g n GLN 39 Ca 0.03 0.30 0.21 0.00 -0.01 0.00 0.00 57.00 57.53 1y4g n GLN 39 Cb 0.09 -1.69 1.13 0.00 1.02 0.00 0.00 30.24 30.80 1y4g n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y4g h ARG 40 N 0.00 0.00 -0.01 -1.09 0.11 -1.67 -1.95 114.38 109.77 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 0.37 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.45 1y4g h ARG 40 CO 0.00 0.00 -0.34 1.19 0.10 0.00 0.00 179.97 180.92 1y4g n PHE 41 N -3.16 0.00 -2.39 4.08 3.72 -1.22 -4.41 117.46 114.09 1y4g n PHE 41 Ca -0.03 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.26 1y4g n PHE 41 Cb 0.12 -0.05 0.04 0.00 -0.94 0.00 0.00 39.48 38.65 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 -0.21 1.95 0.25 1.38 3.72 -0.73 -4.82 117.46 118.99 1y4g n PHE 42 Ca 0.11 -2.13 0.13 0.00 -0.05 0.00 0.00 57.45 55.51 1y4g n PHE 42 Cb 0.42 -0.28 0.59 0.00 -0.94 0.00 0.00 39.48 39.26 1y4g n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1y4g h GLU 43 N 2.32 0.00 0.00 -1.08 4.11 -1.77 -1.79 114.58 116.37 1y4g h GLU 43 Ca 0.12 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.55 1y4g h GLU 43 Cb 1.41 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.66 1y4g h GLU 43 CO 0.46 0.15 0.00 -1.13 0.07 0.00 0.00 179.01 178.56 1y4g n SER 44 N -3.37 0.00 -0.30 3.06 3.41 -1.26 -3.33 113.62 111.83 1y4g n SER 44 Ca -0.00 -0.30 0.15 0.00 -0.26 0.00 0.00 58.87 58.45 1y4g n SER 44 Cb 0.35 -0.16 0.68 0.00 -0.26 0.00 0.00 64.21 64.82 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 -1.16 0.01 -3.03 7.33 3.01 -0.67 -5.03 117.46 117.92 1y4g n PHE 45 Ca 0.12 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.58 1y4g n PHE 45 Cb 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.59 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 1.10 0.48 3.64 1.37 0.00 -1.21 -4.85 105.19 105.72 1y4g n GLY 46 Ca 0.21 -1.12 -0.43 0.00 0.00 0.00 0.00 46.02 44.68 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 6.73 -0.08 1.61 2.15 -1.26 -4.85 116.67 116.97 1y4g s ASP 47 Ca 0.00 1.56 0.14 0.00 0.43 0.00 0.00 52.55 54.69 1y4g s ASP 47 Cb 0.00 -2.54 0.29 0.00 -0.30 0.00 0.00 42.92 40.38 1y4g s ASP 47 CO 0.00 -0.97 1.14 0.18 -0.17 0.00 0.00 175.17 175.35 1y4g n LEU 48 N 7.30 1.48 0.18 -1.34 4.77 -1.26 -4.31 117.00 123.82 1y4g n LEU 48 Ca 0.15 -2.48 0.06 0.00 -0.03 0.00 0.00 56.01 53.72 1y4g n LEU 48 Cb 0.45 -0.23 0.22 0.00 -2.33 0.00 0.00 43.42 41.53 1y4g n LEU 48 CO 0.60 0.72 0.63 0.77 -1.33 0.00 0.00 177.39 178.78 1y4g h SER 49 N 0.54 0.00 -5.16 -1.43 4.64 -1.91 -3.44 113.55 106.79 1y4g h SER 49 Ca -0.07 0.00 -0.24 0.00 -0.47 0.00 0.00 61.79 61.01 1y4g h SER 49 Cb 1.36 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.30 1y4g h SER 49 CO 0.03 0.35 -0.64 0.42 -0.87 0.00 0.00 176.83 176.12 1y4g s THR 50 N -3.28 0.25 0.17 2.95 -4.23 -1.26 -5.03 115.64 105.20 1y4g s THR 50 Ca 0.03 -1.96 -0.15 0.00 -1.18 0.00 0.00 61.69 58.43 1y4g s THR 50 Cb 0.09 -2.25 0.06 0.00 1.34 0.00 0.00 72.50 71.74 1y4g s THR 50 CO 0.70 -0.29 1.74 -0.65 -0.54 0.00 0.00 174.62 175.57 1y4g h PRO 51 N 2.71 0.26 -0.52 3.99 0.11 -1.99 -1.80 132.00 134.75 1y4g h PRO 51 Ca -0.36 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.69 1y4g h PRO 51 Cb 1.22 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.25 1y4g h PRO 51 CO 0.58 0.17 0.16 -0.44 -0.21 0.00 0.00 178.00 178.26 1y4g h ASP 52 N 0.26 0.71 -0.40 -2.05 3.32 -1.98 0.09 116.42 116.38 1y4g h ASP 52 Ca 0.20 -0.11 -0.04 0.00 0.02 0.00 0.00 57.03 57.10 1y4g h ASP 52 Cb 0.23 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.57 1y4g h ASP 52 CO -0.24 0.68 0.11 0.00 -1.72 0.00 0.00 179.24 178.08 1y4g h ALA 53 N 1.42 1.33 0.04 3.45 0.00 -1.72 -2.05 119.26 121.73 1y4g h ALA 53 Ca 0.17 -0.18 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 1y4g h ALA 53 Cb 0.23 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y4g h ALA 53 CO -0.01 0.48 -0.02 0.28 0.00 0.00 0.00 179.25 179.98 1y4g h VAL 54 N 0.68 1.27 -0.46 0.00 2.07 -0.77 -2.88 116.25 116.15 1y4g h VAL 54 Ca 0.15 -1.69 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 1y4g h VAL 54 Cb 0.25 2.28 -0.02 0.00 -1.52 0.00 0.00 31.29 32.28 1y4g h VAL 54 CO -0.00 0.39 0.11 0.24 0.02 0.00 0.00 177.57 178.32 1y4g h MET 55 N -0.89 0.70 -0.01 1.57 2.07 -1.00 -2.45 114.93 114.92 1y4g h MET 55 Ca -0.01 -0.13 0.00 0.00 -2.07 0.00 0.00 59.70 57.49 1y4g h MET 55 Cb 0.68 -0.11 0.00 0.00 -1.87 0.00 0.00 31.60 30.30 1y4g h MET 55 CO 0.01 0.64 -0.26 0.41 1.07 0.00 0.00 176.91 178.78 1y4g n GLY 56 N -0.93 -0.31 3.65 8.32 0.00 -0.77 -4.83 105.19 110.32 1y4g n GLY 56 Ca 0.03 -0.47 -0.42 0.00 0.00 0.00 0.00 46.02 45.15 1y4g n GLY 56 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1y4g s ASN 57 N -2.40 6.39 0.50 1.61 3.84 -0.92 -4.88 114.94 119.08 1y4g s ASN 57 Ca 0.25 2.45 0.15 0.00 0.21 0.00 0.00 52.86 55.92 1y4g s ASN 57 Cb 0.19 -2.53 1.19 0.00 -0.55 0.00 0.00 41.25 39.55 1y4g s ASN 57 CO 0.50 -1.13 2.11 -0.65 -2.79 0.00 0.00 177.10 175.13 1y4g h PRO 58 N 10.83 0.02 -0.18 0.43 0.11 -1.90 -1.38 132.00 139.92 1y4g h PRO 58 Ca -0.46 -0.00 -0.19 0.00 0.11 0.00 0.00 66.00 65.46 1y4g h PRO 58 Cb 1.22 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.33 1y4g h PRO 58 CO 0.95 0.06 -0.64 0.87 -0.21 0.00 0.00 178.00 179.03 1y4g h LYS 59 N 0.02 0.66 -0.69 1.05 1.57 -1.89 -1.34 116.57 115.94 1y4g h LYS 59 Ca 0.00 -0.47 -0.05 0.00 -1.87 0.00 0.00 60.65 58.27 1y4g h LYS 59 Cb 0.08 0.07 -0.03 0.00 0.08 0.00 0.00 32.23 32.43 1y4g h LYS 59 CO 0.00 1.09 0.25 0.28 -0.57 0.00 0.00 179.45 180.51 1y4g h VAL 60 N 0.49 1.25 -0.42 0.50 2.07 -1.65 -1.32 116.25 117.17 1y4g h VAL 60 Ca -0.01 -0.81 -0.04 0.00 0.82 0.00 0.00 66.70 66.66 1y4g h VAL 60 Cb 1.22 0.48 -0.02 0.00 -1.52 0.00 0.00 31.29 31.45 1y4g h VAL 60 CO 0.13 0.32 0.12 0.11 0.02 0.00 0.00 177.57 178.27 1y4g h LYS 61 N 0.99 0.66 -0.59 1.57 1.57 -1.22 -0.05 116.57 119.50 1y4g h LYS 61 Ca 0.23 -0.15 -0.09 0.00 -1.87 0.00 0.00 60.65 58.77 1y4g h LYS 61 Cb 0.24 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.44 1y4g h LYS 61 CO -0.01 0.66 0.03 0.00 -0.57 0.00 0.00 179.45 179.55 1y4g h ALA 62 N 0.97 0.94 -0.35 3.86 0.00 -1.06 -2.55 119.26 121.07 1y4g h ALA 62 Ca 0.13 -0.29 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 1y4g h ALA 62 Cb 0.28 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1y4g h ALA 62 CO -0.00 0.64 -0.35 1.25 0.00 0.00 0.00 179.25 180.79 1y4g h HIS 63 N 0.93 0.96 -0.71 0.00 -0.00 -1.04 -2.67 115.15 112.62 1y4g h HIS 63 Ca 0.17 -0.27 0.08 0.00 -0.00 0.00 0.00 60.37 60.35 1y4g h HIS 63 Cb 0.50 -0.21 -0.06 0.00 -0.00 0.00 0.00 27.41 27.63 1y4g h HIS 63 CO 0.03 1.05 0.38 0.78 -0.00 0.00 0.00 177.93 180.17 1y4g h GLY 64 N 0.90 1.06 0.98 5.26 0.00 -0.79 -0.14 103.07 110.34 1y4g h GLY 64 Ca 0.06 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 1y4g h GLY 64 CO 0.08 0.12 0.28 1.70 0.00 0.00 0.00 176.54 178.72 1y4g h LYS 65 N 0.67 0.68 -0.56 4.80 3.64 -1.28 -1.42 116.57 123.11 1y4g h LYS 65 Ca 0.33 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 59.61 1y4g h LYS 65 Cb 0.28 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 31.94 1y4g h LYS 65 CO -0.23 0.52 0.23 -0.22 -2.27 0.00 0.00 179.45 177.49 1y4g h LYS 66 N 0.66 0.83 -0.22 1.90 3.64 -1.02 -0.76 116.57 121.59 1y4g h LYS 66 Ca 0.17 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.39 1y4g h LYS 66 Cb 0.03 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.71 1y4g h LYS 66 CO -0.03 0.71 0.08 0.28 -2.27 0.00 0.00 179.45 178.22 1y4g h VAL 67 N 0.76 1.18 0.00 2.00 2.07 -0.82 -2.63 116.25 118.81 1y4g h VAL 67 Ca 0.19 -0.57 -0.09 0.00 0.82 0.00 0.00 66.70 67.05 1y4g h VAL 67 Cb 0.18 1.14 -0.01 0.00 -1.52 0.00 0.00 31.29 31.08 1y4g h VAL 67 CO -0.02 0.18 -0.43 -0.07 0.02 0.00 0.00 177.57 177.25 1y4g h LEU 68 N 0.20 0.00 -0.36 2.57 3.38 -1.18 -1.42 115.31 118.50 1y4g h LEU 68 Ca 0.07 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1y4g h LEU 68 Cb 0.21 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.95 1y4g h LEU 68 CO -0.00 0.43 0.16 1.23 0.09 0.00 0.00 178.44 180.34 1y4g h GLY 69 N 2.80 0.56 1.05 0.83 0.00 -1.08 0.40 103.07 107.65 1y4g h GLY 69 Ca -0.00 -0.30 -0.07 0.00 0.00 0.00 0.00 47.33 46.96 1y4g h GLY 69 CO 0.06 0.28 0.15 0.00 0.00 0.00 0.00 176.54 177.03 1y4g h ALA 70 N 1.00 0.89 -0.41 3.60 0.00 -1.16 -2.26 119.26 120.91 1y4g h ALA 70 Ca 0.12 -0.25 0.02 0.00 0.00 0.00 0.00 54.91 54.80 1y4g h ALA 70 Cb 0.16 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.66 1y4g h ALA 70 CO -0.01 0.61 0.25 0.35 0.00 0.00 0.00 179.25 180.45 1y4g h PHE 71 N 1.01 0.46 -0.68 0.00 3.04 -1.08 -1.79 116.94 117.90 1y4g h PHE 71 Ca 0.21 0.01 0.04 0.00 3.98 0.00 0.00 57.97 62.21 1y4g h PHE 71 Cb 0.38 -0.15 -0.05 0.00 2.56 0.00 0.00 35.95 38.69 1y4g h PHE 71 CO 0.03 0.27 0.41 0.77 -2.02 0.00 0.00 178.31 177.77 1y4g h SER 72 N 0.50 0.66 -0.50 0.41 0.02 -0.71 -0.73 113.55 113.20 1y4g h SER 72 Ca 0.16 0.01 -0.02 0.00 -0.84 0.00 0.00 61.79 61.10 1y4g h SER 72 Cb 0.00 -0.13 -0.03 0.00 0.14 0.00 0.00 62.40 62.39 1y4g h SER 72 CO -0.07 0.45 0.26 0.44 -1.14 0.00 0.00 176.83 176.76 1y4g h ASP 73 N 0.79 0.67 -0.61 3.07 3.32 -1.14 -0.04 116.42 122.48 1y4g h ASP 73 Ca 0.28 -0.06 0.01 0.00 0.02 0.00 0.00 57.03 57.28 1y4g h ASP 73 Cb 0.07 -0.17 -0.03 0.00 0.22 0.00 0.00 39.33 39.42 1y4g h ASP 73 CO -0.13 0.57 0.40 1.23 -1.72 0.00 0.00 179.24 179.60 1y4g h GLY 74 N 0.85 0.85 2.00 2.75 0.00 -0.26 -1.44 103.07 107.81 1y4g h GLY 74 Ca 0.19 -0.31 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1y4g h GLY 74 CO -0.03 0.30 0.00 1.41 0.00 0.00 0.00 176.54 178.22 1y4g h LEU 75 N 0.80 0.00 -0.14 3.11 3.38 -0.47 -1.00 115.31 121.00 1y4g h LEU 75 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1y4g h LEU 75 Cb -0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1y4g h LEU 75 CO -0.05 0.00 -0.22 0.00 0.09 0.00 0.00 178.44 178.26 1y4g n ALA 76 N -1.89 2.93 -2.61 1.53 0.00 -0.54 -4.06 120.51 115.87 1y4g n ALA 76 Ca 0.01 -0.27 -0.12 0.00 0.00 0.00 0.00 53.44 53.06 1y4g n ALA 76 Cb 0.20 -1.28 0.03 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.21 1.76 0.21 0.00 8.25 -0.39 -4.92 115.22 118.92 1y4g n HIS 77 Ca 0.10 -2.62 0.18 0.00 -0.26 0.00 0.00 57.72 55.12 1y4g n HIS 77 Cb 0.32 -0.28 0.83 0.00 1.12 0.00 0.00 29.99 31.98 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 2.74 0.00 -0.71 2.41 3.38 -1.67 -0.38 115.31 121.07 1y4g h LEU 78 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y4g h LEU 78 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1y4g h LEU 78 CO 0.51 0.00 -0.07 0.47 0.09 0.00 0.00 178.44 179.44 1y4g n ASP 79 N -3.55 1.18 -3.04 -0.43 8.00 -1.26 -4.26 116.55 113.20 1y4g n ASP 79 Ca 0.02 -1.23 -0.16 0.00 0.71 0.00 0.00 54.79 54.13 1y4g n ASP 79 Cb 0.40 0.03 0.00 0.00 -0.02 0.00 0.00 41.12 41.53 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 -0.21 -0.34 -0.21 -2.24 5.15 -0.16 -4.95 115.26 112.31 1y4g n ASN 80 Ca 0.17 -3.19 -0.08 0.00 -0.60 0.00 0.00 54.58 50.88 1y4g n ASN 80 Cb 0.33 0.24 0.02 0.00 -0.53 0.00 0.00 39.78 39.84 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 3.15 0.90 -0.45 1.20 3.38 -1.73 -1.97 115.31 119.79 1y4g h LEU 81 Ca 0.03 -0.24 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1y4g h LEU 81 Cb 1.00 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1y4g h LEU 81 CO 0.38 0.90 0.30 0.11 0.09 0.00 0.00 178.44 180.22 1y4g h LYS 82 N 0.85 0.58 -0.31 1.13 1.57 -1.91 -0.89 116.57 117.60 1y4g h LYS 82 Ca 0.18 -0.04 -0.07 0.00 -1.87 0.00 0.00 60.65 58.86 1y4g h LYS 82 Cb 0.36 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1y4g h LYS 82 CO 0.00 0.39 -0.09 0.78 -0.57 0.00 0.00 179.45 179.96 1y4g h GLY 83 N 0.60 0.65 0.44 3.86 0.00 -1.94 -2.71 103.07 103.98 1y4g h GLY 83 Ca 0.17 -0.55 0.09 0.00 0.00 0.00 0.00 47.33 47.04 1y4g h GLY 83 CO -0.04 0.50 0.31 -0.84 0.00 0.00 0.00 176.54 176.47 1y4g h THR 84 N 0.37 0.82 -0.70 4.70 2.02 -0.99 -2.81 112.91 116.31 1y4g h THR 84 Ca 0.08 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.07 1y4g h THR 84 Cb 0.59 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1y4g h THR 84 CO 0.03 0.10 0.00 0.49 0.37 0.00 0.00 175.52 176.51 1y4g n PHE 85 N -4.91 1.01 -0.04 3.16 3.72 -0.37 -4.65 117.46 115.38 1y4g n PHE 85 Ca 0.10 -0.49 -0.09 0.00 -0.05 0.00 0.00 57.45 56.92 1y4g n PHE 85 Cb 0.28 -0.03 -0.03 0.00 -0.94 0.00 0.00 39.48 38.75 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 4.28 0.21 -0.13 4.37 0.00 -1.20 0.28 119.26 127.06 1y4g h ALA 86 Ca 0.00 0.02 -0.11 0.00 0.00 0.00 0.00 54.91 54.82 1y4g h ALA 86 Cb 1.01 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.79 1y4g h ALA 86 CO 0.03 -0.36 -0.39 1.79 0.00 0.00 0.00 179.25 180.32 1y4g h THR 87 N 0.16 1.30 -0.24 0.00 1.35 -1.82 -2.06 112.91 111.61 1y4g h THR 87 Ca 0.08 -1.49 -0.14 0.00 -0.55 0.00 0.00 66.41 64.31 1y4g h THR 87 Cb 0.04 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.09 1y4g h THR 87 CO -0.08 0.45 -0.45 -0.07 -0.25 0.00 0.00 175.52 175.13 1y4g h LEU 88 N 0.24 0.64 0.28 3.87 4.07 -1.76 -2.11 115.31 120.53 1y4g h LEU 88 Ca 0.02 -0.30 -0.00 0.00 0.08 0.00 0.00 57.88 57.68 1y4g h LEU 88 Cb 0.80 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 42.35 1y4g h LEU 88 CO 0.06 0.99 -0.22 -1.28 -1.08 0.00 0.00 178.44 176.92 1y4g h SER 89 N 0.48 -0.57 -0.56 -0.43 0.87 -0.13 0.31 113.55 113.51 1y4g h SER 89 Ca 0.03 0.05 0.06 0.00 -1.23 0.00 0.00 61.79 60.69 1y4g h SER 89 Cb 0.97 0.19 -0.05 0.00 -0.44 0.00 0.00 62.40 63.06 1y4g h SER 89 CO 0.09 -0.34 0.28 -0.33 -0.53 0.00 0.00 176.83 176.00 1y4g h GLU 90 N -0.51 0.52 -0.16 2.24 5.08 -1.38 -1.93 114.58 118.44 1y4g h GLU 90 Ca -0.02 -0.03 0.04 0.00 -1.00 0.00 0.00 59.36 58.35 1y4g h GLU 90 Cb 0.45 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 1y4g h GLU 90 CO -0.01 0.34 -0.09 1.25 -1.00 0.00 0.00 179.01 179.50 1y4g h LEU 91 N 0.53 -0.29 -1.50 1.33 5.85 -1.17 0.35 115.31 120.40 1y4g h LEU 91 Ca 0.25 0.07 -0.01 0.00 0.84 0.00 0.00 57.88 59.03 1y4g h LEU 91 Cb 0.18 0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.35 1y4g h LEU 91 CO -0.18 -0.12 0.21 0.45 -0.34 0.00 0.00 178.44 178.46 1y4g h HIS 92 N -0.08 0.53 0.04 1.25 3.86 -0.48 -0.76 115.15 119.51 1y4g h HIS 92 Ca 0.09 -0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.30 1y4g h HIS 92 Cb 0.21 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 28.51 1y4g h HIS 92 CO -0.23 0.38 -0.02 0.00 0.86 0.00 0.00 177.93 178.92 1y4g h ASP 94 N -0.89 0.22 0.00 0.00 3.32 -0.95 -3.10 116.42 115.01 1y4g h ASP 94 Ca -0.01 -0.18 -0.35 0.00 0.02 0.00 0.00 57.03 56.52 1y4g h ASP 94 Cb 0.04 -0.07 -0.06 0.00 0.22 0.00 0.00 39.33 39.46 1y4g h ASP 94 CO 0.01 1.00 -2.31 0.29 -1.72 0.00 0.00 179.24 176.50 1y4g n LYS 95 N -3.63 0.58 0.01 3.56 4.01 -0.36 -4.70 118.16 117.63 1y4g n LYS 95 Ca -0.03 0.13 0.11 0.00 -0.51 0.00 0.00 58.31 58.01 1y4g n LYS 95 Cb 0.82 -1.46 -0.11 0.00 -0.51 0.00 0.00 35.03 33.77 1y4g n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y4g n LEU 96 N -3.19 0.39 -3.76 -0.35 4.77 -0.81 -4.99 117.00 109.06 1y4g n LEU 96 Ca -0.41 -0.08 -0.25 0.00 -0.03 0.00 0.00 56.01 55.24 1y4g n LEU 96 Cb 0.93 -0.02 0.04 0.00 -2.33 0.00 0.00 43.42 42.04 1y4g n LEU 96 CO 0.23 0.04 0.07 1.41 -1.33 0.00 0.00 177.39 177.81 1y4g n HIS 97 N -2.09 -2.26 -3.08 -1.77 8.25 -0.45 -4.95 115.22 108.87 1y4g n HIS 97 Ca -0.01 0.91 -0.41 0.00 -0.26 0.00 0.00 57.72 57.95 1y4g n HIS 97 Cb 0.50 -4.37 -0.06 0.00 1.12 0.00 0.00 29.99 27.17 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 -3.43 4.95 0.05 1.59 1.01 -0.67 -5.02 120.40 118.89 1y4g s VAL 98 Ca 0.38 1.16 -0.30 0.00 0.00 0.00 0.00 61.98 63.22 1y4g s VAL 98 Cb -0.18 -3.97 -0.09 0.00 0.00 0.00 0.00 36.38 32.13 1y4g s VAL 98 CO 0.80 -0.01 1.96 -0.62 0.00 0.00 0.00 175.10 177.23 1y4g s ASP 99 N 1.48 6.44 0.56 3.32 -1.08 -1.26 -4.75 116.67 121.37 1y4g s ASP 99 Ca 0.27 2.69 0.33 0.00 -0.52 0.00 0.00 52.55 55.33 1y4g s ASP 99 Cb -0.15 -2.53 1.81 0.00 -1.46 0.00 0.00 42.92 40.59 1y4g s ASP 99 CO 0.09 -1.05 2.01 -0.65 0.52 0.00 0.00 175.17 176.09 1y4g h PRO 100 N 10.44 0.00 -0.68 4.34 0.11 -1.97 -1.76 132.00 142.48 1y4g h PRO 100 Ca -0.50 0.00 0.18 0.00 0.11 0.00 0.00 66.00 65.79 1y4g h PRO 100 Cb 1.24 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1y4g h PRO 100 CO 0.94 0.00 0.48 1.49 -0.21 0.00 0.00 178.00 180.70 1y4g h GLU 101 N 0.00 0.13 -0.13 1.05 4.57 -1.98 -0.81 114.58 117.41 1y4g h GLU 101 Ca 0.00 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.16 1y4g h GLU 101 Cb 0.20 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 28.75 1y4g h GLU 101 CO 0.00 0.09 0.01 -0.91 -1.18 0.00 0.00 179.01 177.02 1y4g h ASN 102 N 0.14 0.16 -0.34 1.04 4.21 -1.69 -1.85 115.58 117.25 1y4g h ASN 102 Ca 0.33 -0.01 -0.06 0.00 1.21 0.00 0.00 56.30 57.77 1y4g h ASN 102 Cb 1.11 -0.04 -0.02 0.00 -1.12 0.00 0.00 38.32 38.25 1y4g h ASN 102 CO -0.05 0.19 0.01 -0.26 -1.29 0.00 0.00 177.43 176.04 1y4g h PHE 103 N 0.18 0.72 -0.22 1.19 0.04 -1.35 -0.45 116.94 117.06 1y4g h PHE 103 Ca 0.05 -0.09 -0.21 0.00 2.80 0.00 0.00 57.97 60.53 1y4g h PHE 103 Cb 0.11 -0.20 0.01 0.00 2.20 0.00 0.00 35.95 38.06 1y4g h PHE 103 CO 0.00 0.67 -0.66 0.00 -0.60 0.00 0.00 178.31 177.72 1y4g h ARG 104 N 0.65 0.84 -0.55 1.51 3.08 -1.37 -2.04 114.38 116.49 1y4g h ARG 104 Ca 0.13 -0.60 -0.01 0.00 0.07 0.00 0.00 59.98 59.57 1y4g h ARG 104 Cb 0.39 0.10 -0.03 0.00 0.08 0.00 0.00 29.97 30.51 1y4g h ARG 104 CO 0.01 1.22 0.29 -0.07 -1.07 0.00 0.00 179.97 180.36 1y4g h LEU 105 N 0.61 0.70 -0.87 3.04 3.38 -1.00 -2.53 115.31 118.64 1y4g h LEU 105 Ca -0.02 -0.11 -0.02 0.00 0.09 0.00 0.00 57.88 57.82 1y4g h LEU 105 Cb 1.28 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 41.81 1y4g h LEU 105 CO 0.14 0.61 0.46 0.25 0.09 0.00 0.00 178.44 179.99 1y4g h LEU 106 N 0.74 1.10 -0.38 1.67 5.85 -1.02 -1.95 115.31 121.33 1y4g h LEU 106 Ca 0.19 -0.11 0.02 0.00 0.84 0.00 0.00 57.88 58.82 1y4g h LEU 106 Cb 0.08 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 40.80 1y4g h LEU 106 CO -0.03 0.90 0.21 1.23 -0.34 0.00 0.00 178.44 180.42 1y4g h GLY 107 N 1.22 0.52 1.07 3.75 0.00 -1.13 0.18 103.07 108.69 1y4g h GLY 107 Ca 0.30 -0.16 -0.08 0.00 0.00 0.00 0.00 47.33 47.39 1y4g h GLY 107 CO -0.05 0.13 0.08 3.43 0.00 0.00 0.00 176.54 180.13 1y4g h ASN 108 N 0.43 1.06 -0.25 0.19 2.35 -1.20 -1.45 115.58 116.71 1y4g h ASN 108 Ca 0.15 -0.27 -0.07 0.00 -0.55 0.00 0.00 56.30 55.56 1y4g h ASN 108 Cb 0.02 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.09 1y4g h ASN 108 CO -0.08 1.07 -0.05 0.58 -1.65 0.00 0.00 177.43 177.29 1y4g h VAL 109 N 1.02 1.23 -0.47 2.81 2.07 -0.92 -1.57 116.25 120.40 1y4g h VAL 109 Ca 0.19 -0.96 -0.06 0.00 0.82 0.00 0.00 66.70 66.69 1y4g h VAL 109 Cb 0.48 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.23 1y4g h VAL 109 CO 0.02 0.33 0.05 0.25 0.02 0.00 0.00 177.57 178.24 1y4g h LEU 110 N 0.57 0.70 -0.37 2.57 5.85 -0.30 -1.22 115.31 123.11 1y4g h LEU 110 Ca 0.11 -0.14 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 1y4g h LEU 110 Cb 0.44 -0.18 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 1y4g h LEU 110 CO 0.02 0.74 0.03 0.58 -0.34 0.00 0.00 178.44 179.47 1y4g h VAL 111 N 0.71 1.25 -0.91 1.05 2.07 -0.39 -1.21 116.25 118.82 1y4g h VAL 111 Ca 0.15 -0.93 0.05 0.00 0.82 0.00 0.00 66.70 66.79 1y4g h VAL 111 Cb 0.36 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1y4g h VAL 111 CO 0.01 0.31 0.60 0.00 0.02 0.00 0.00 177.57 178.51 1y4g h VAL 113 N 1.10 1.26 -0.61 0.00 2.07 -0.94 0.53 116.25 119.66 1y4g h VAL 113 Ca 0.37 -1.07 -0.04 0.00 0.82 0.00 0.00 66.70 66.78 1y4g h VAL 113 Cb 0.08 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 30.65 1y4g h VAL 113 CO -0.12 0.39 0.23 -0.07 0.02 0.00 0.00 177.57 178.02 1y4g h LEU 114 N 0.88 0.86 -0.70 2.57 3.38 -0.90 -0.52 115.31 120.89 1y4g h LEU 114 Ca 0.17 -0.18 -0.06 0.00 0.09 0.00 0.00 57.88 57.90 1y4g h LEU 114 Cb 0.50 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 1y4g h LEU 114 CO 0.02 0.81 0.19 0.00 0.09 0.00 0.00 178.44 179.55 1y4g h ALA 115 N 1.09 0.91 -0.76 1.53 0.00 -1.10 0.28 119.26 121.22 1y4g h ALA 115 Ca 0.20 -0.23 -0.04 0.00 0.00 0.00 0.00 54.91 54.84 1y4g h ALA 115 Cb 0.22 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1y4g h ALA 115 CO -0.01 0.61 0.33 1.25 0.00 0.00 0.00 179.25 181.43 1y4g h HIS 116 N 1.03 1.13 0.08 0.00 -0.00 -0.36 -0.15 115.15 116.89 1y4g h HIS 116 Ca 0.22 -0.07 -0.26 0.00 -0.00 0.00 0.00 60.37 60.26 1y4g h HIS 116 Cb 0.34 -0.34 0.01 0.00 -0.00 0.00 0.00 27.41 27.41 1y4g h HIS 116 CO 0.03 0.85 -1.12 0.45 -0.00 0.00 0.00 177.93 178.13 1y4g h HIS 117 N 1.08 0.61 0.00 5.26 -0.00 -0.77 -3.37 115.15 117.97 1y4g h HIS 117 Ca 0.26 -0.39 0.00 0.00 -0.00 0.00 0.00 60.37 60.24 1y4g h HIS 117 Cb 0.18 -0.05 0.00 0.00 -0.00 0.00 0.00 27.41 27.54 1y4g h HIS 117 CO 0.01 1.25 -1.07 1.19 -0.00 0.00 0.00 177.93 179.32 1y4g n PHE 118 N -3.66 0.00 -0.63 2.45 3.72 0.06 -5.04 117.46 114.36 1y4g n PHE 118 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1y4g n PHE 118 Cb 0.94 -0.08 0.00 0.00 -0.94 0.00 0.00 39.48 39.40 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 1.44 3.05 0.32 1.37 0.00 -0.07 -2.67 105.19 108.62 1y4g n GLY 119 Ca 0.02 -0.11 0.07 0.00 0.00 0.00 0.00 46.02 46.00 1y4g n GLY 119 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1y4g n LYS 120 N 14.00 -0.08 0.22 1.61 0.00 -1.26 -0.93 118.16 131.73 1y4g n LYS 120 Ca 0.00 1.37 0.18 0.00 -0.00 0.00 0.00 58.31 59.86 1y4g n LYS 120 Cb 0.00 -2.07 0.84 0.00 -0.00 0.00 0.00 35.03 33.80 1y4g n LYS 120 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1y4g h GLU 121 N 0.00 0.00 -3.71 -1.58 4.81 -1.91 -3.10 114.58 109.10 1y4g h GLU 121 Ca 0.45 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.92 1y4g h GLU 121 Cb 0.74 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.96 1y4g h GLU 121 CO -0.89 0.00 1.93 0.34 -0.73 0.00 0.00 179.01 179.66 1y4g n PHE 122 N -3.44 3.26 -1.19 0.92 7.35 -0.10 -4.93 117.46 119.34 1y4g n PHE 122 Ca 0.02 -2.88 -0.31 0.00 -0.76 0.00 0.00 57.45 53.52 1y4g n PHE 122 Cb 0.40 -1.99 0.11 0.00 0.35 0.00 0.00 39.48 38.35 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 0.59 3.08 0.22 -2.13 -4.23 -1.17 -4.71 115.64 107.29 1y4g s THR 123 Ca 0.40 0.35 -0.11 0.00 -1.18 0.00 0.00 61.69 61.16 1y4g s THR 123 Cb 0.08 -2.79 0.22 0.00 1.34 0.00 0.00 72.50 71.35 1y4g s THR 123 CO 0.00 -0.46 1.65 -0.65 -0.54 0.00 0.00 174.62 174.62 1y4g h PRO 124 N -1.29 0.08 -0.59 3.99 0.11 -1.93 0.35 132.00 132.72 1y4g h PRO 124 Ca -0.45 -0.00 -0.01 0.00 0.11 0.00 0.00 66.00 65.65 1y4g h PRO 124 Cb 1.24 -0.02 -0.03 0.00 0.11 0.00 0.00 31.00 32.31 1y4g h PRO 124 CO 0.51 0.05 0.32 -1.35 -0.21 0.00 0.00 178.00 177.32 1y4g h PRO 125 N 0.08 0.80 -0.43 1.05 0.11 -1.99 -1.05 132.00 130.58 1y4g h PRO 125 Ca 0.33 -0.08 -0.15 0.00 0.11 0.00 0.00 66.00 66.22 1y4g h PRO 125 Cb 0.55 -0.16 -0.01 0.00 0.11 0.00 0.00 31.00 31.48 1y4g h PRO 125 CO -0.59 0.59 -0.30 0.28 -0.21 0.00 0.00 178.00 177.77 1y4g h VAL 126 N 0.81 1.27 -0.58 3.15 2.07 -1.66 -2.54 116.25 118.77 1y4g h VAL 126 Ca 0.21 -1.47 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1y4g h VAL 126 Cb 0.02 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 1y4g h VAL 126 CO -0.03 0.50 0.32 -0.61 0.02 0.00 0.00 177.57 177.76 1y4g h GLN 127 N 0.81 0.80 -0.89 1.57 4.15 -0.54 -1.70 115.11 119.31 1y4g h GLN 127 Ca 0.09 -0.09 0.06 0.00 0.77 0.00 0.00 58.65 59.47 1y4g h GLN 127 Cb 0.89 -0.16 -0.06 0.00 0.21 0.00 0.00 27.48 28.36 1y4g h GLN 127 CO 0.08 0.61 0.58 0.00 -1.93 0.00 0.00 178.83 178.17 1y4g h ALA 128 N 1.15 1.51 -0.22 3.38 0.00 -0.99 0.17 119.26 124.26 1y4g h ALA 128 Ca 0.20 -0.03 -0.15 0.00 0.00 0.00 0.00 54.91 54.94 1y4g h ALA 128 Cb 0.04 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.56 1y4g h ALA 128 CO -0.03 0.36 -0.44 0.00 0.00 0.00 0.00 179.25 179.14 1y4g h ALA 129 N 1.51 0.35 -0.57 0.00 0.00 -1.13 -2.62 119.26 116.80 1y4g h ALA 129 Ca 0.38 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.78 1y4g h ALA 129 Cb 0.17 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.88 1y4g h ALA 129 CO -0.14 0.48 0.20 1.88 0.00 0.00 0.00 179.25 181.68 1y4g h TYR 130 N 0.40 0.86 -0.51 0.00 0.05 -0.44 -1.75 116.97 115.58 1y4g h TYR 130 Ca 0.01 -0.06 0.00 0.00 0.05 0.00 0.00 58.73 58.74 1y4g h TYR 130 Cb 1.04 -0.26 -0.03 0.00 1.01 0.00 0.00 36.73 38.50 1y4g h TYR 130 CO 0.09 0.68 0.34 1.96 -1.05 0.00 0.00 178.16 180.17 1y4g h GLN 131 N 0.83 0.68 -0.46 4.88 1.08 -0.57 0.17 115.11 121.72 1y4g h GLN 131 Ca 0.19 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.36 1y4g h GLN 131 Cb 0.21 -0.15 -0.03 0.00 -0.05 0.00 0.00 27.48 27.46 1y4g h GLN 131 CO -0.01 0.45 0.28 0.87 -0.95 0.00 0.00 178.83 179.47 1y4g h LYS 132 N 0.69 0.56 -0.19 1.46 1.57 -1.12 -1.67 116.57 117.87 1y4g h LYS 132 Ca 0.19 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 1y4g h LYS 132 Cb -0.08 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1y4g h LYS 132 CO -0.04 0.37 0.09 0.28 -0.57 0.00 0.00 179.45 179.58 1y4g h VAL 133 N 0.58 1.13 -0.29 0.50 2.07 -0.62 -0.74 116.25 118.88 1y4g h VAL 133 Ca 0.18 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.26 1y4g h VAL 133 Cb -0.02 1.03 -0.02 0.00 -1.52 0.00 0.00 31.29 30.76 1y4g h VAL 133 CO -0.06 0.13 -0.06 -0.37 0.02 0.00 0.00 177.57 177.22 1y4g h VAL 134 N 0.19 1.21 -0.56 2.57 -1.51 -0.59 -1.19 116.25 116.37 1y4g h VAL 134 Ca 0.07 -0.87 -0.10 0.00 -1.23 0.00 0.00 66.70 64.57 1y4g h VAL 134 Cb 0.12 1.06 -0.02 0.00 -2.13 0.00 0.00 31.29 30.31 1y4g h VAL 134 CO -0.01 0.29 -0.03 0.00 -1.23 0.00 0.00 177.57 176.59 1y4g h ALA 135 N 1.49 0.76 -0.63 5.19 0.00 -1.03 -0.65 119.26 124.39 1y4g h ALA 135 Ca 0.09 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1y4g h ALA 135 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1y4g h ALA 135 CO 0.02 0.61 0.17 0.78 0.00 0.00 0.00 179.25 180.83 1y4g h GLY 136 N 0.89 1.07 0.99 0.00 0.00 -0.75 -0.39 103.07 104.87 1y4g h GLY 136 Ca 0.15 -0.66 -0.07 0.00 0.00 0.00 0.00 47.33 46.76 1y4g h GLY 136 CO 0.04 0.61 0.01 -2.08 0.00 0.00 0.00 176.54 175.12 1y4g h VAL 137 N 0.91 1.26 -0.63 4.60 2.07 -1.03 -0.19 116.25 123.24 1y4g h VAL 137 Ca 0.20 -1.03 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1y4g h VAL 137 Cb 0.33 1.01 -0.03 0.00 -1.52 0.00 0.00 31.29 31.08 1y4g h VAL 137 CO -0.00 0.36 0.41 0.00 0.02 0.00 0.00 177.57 178.36 1y4g h ALA 138 N 0.92 0.81 -0.58 1.67 0.00 -0.82 -0.44 119.26 120.83 1y4g h ALA 138 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.92 1y4g h ALA 138 Cb 0.48 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y4g h ALA 138 CO 0.02 0.21 -0.00 -0.91 0.00 0.00 0.00 179.25 178.56 1y4g h ASN 139 N 0.83 0.98 -0.59 0.00 2.35 -0.84 -1.99 115.58 116.33 1y4g h ASN 139 Ca 0.24 -0.27 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 1y4g h ASN 139 Cb -0.07 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.02 1y4g h ASN 139 CO -0.06 1.03 0.13 0.00 -1.65 0.00 0.00 177.43 176.88 1y4g h ALA 140 N 1.07 0.77 0.00 -0.83 0.00 -0.63 -2.20 119.26 117.45 1y4g h ALA 140 Ca 0.17 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.81 1y4g h ALA 140 Cb 0.54 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1y4g h ALA 140 CO 0.03 0.49 -0.15 -0.07 0.00 0.00 0.00 179.25 179.55 1y4g h LEU 141 N 0.85 0.00 -0.20 0.00 3.38 -0.89 -2.50 115.31 115.95 1y4g h LEU 141 Ca 0.18 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.15 1y4g h LEU 141 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 1y4g h LEU 141 CO 0.00 0.15 -0.41 0.00 0.09 0.00 0.00 178.44 178.27 1y4g n ALA 142 N -2.21 3.39 0.09 1.53 0.00 -0.76 -4.43 120.51 118.11 1y4g n ALA 142 Ca -0.00 -0.38 -0.00 0.00 0.00 0.00 0.00 53.44 53.06 1y4g n ALA 142 Cb 0.34 -1.12 0.30 0.00 0.00 0.00 0.00 19.45 18.97 1y4g n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y4g h HIS 143 N 0.48 0.31 -0.10 0.00 2.07 -0.93 -2.03 115.15 114.96 1y4g h HIS 143 Ca 0.00 -0.06 0.00 0.00 -2.85 0.00 0.00 60.37 57.46 1y4g h HIS 143 Cb 0.50 -0.08 0.00 0.00 2.57 0.00 0.00 27.41 30.40 1y4g h HIS 143 CO 0.00 0.51 0.00 1.63 -3.07 0.00 0.00 177.93 177.00 1y4g n LYS 144 N -4.16 1.51 -2.11 5.12 4.76 -1.26 -4.90 118.16 117.12 1y4g n LYS 144 Ca -0.01 -0.76 -0.39 0.00 -2.87 0.00 0.00 58.31 54.28 1y4g n LYS 144 Cb 0.36 -1.39 -0.01 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.88 2.87 0.00 2.13 1.51 -0.77 -4.76 117.35 116.45 1y4g s TYR 145 Ca 0.33 1.45 0.00 0.00 -1.01 0.00 0.00 57.07 57.84 1y4g s TYR 145 Cb 0.17 -3.60 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1y4g s TYR 145 CO 0.27 -1.90 0.00 -2.39 -1.11 0.00 0.00 175.55 170.41