#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5k n HIS 2 N 0.00 0.00 -3.59 2.03 -0.00 -1.26 -4.73 115.22 107.68 1y5k n HIS 2 Ca 0.00 -0.10 -0.37 0.00 -0.00 0.00 0.00 57.72 57.24 1y5k n HIS 2 Cb 0.00 -0.32 -0.06 0.00 -0.00 0.00 0.00 29.99 29.61 1y5k n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y5k s LEU 3 N 0.00 4.37 0.45 0.27 1.43 -1.26 -5.08 118.68 118.87 1y5k s LEU 3 Ca 0.00 0.70 -0.15 0.00 -1.03 0.00 0.00 54.13 53.66 1y5k s LEU 3 Cb 0.00 -2.41 -0.08 0.00 0.03 0.00 0.00 46.19 43.73 1y5k s LEU 3 CO 0.00 0.26 0.88 -0.89 0.23 0.00 0.00 176.35 176.83 1y5k s THR 4 N -0.50 4.63 0.14 5.49 2.01 -1.26 -4.82 115.64 121.33 1y5k s THR 4 Ca 0.20 1.00 -0.28 0.00 0.31 0.00 0.00 61.69 62.91 1y5k s THR 4 Cb -0.14 -3.71 -0.04 0.00 0.01 0.00 0.00 72.50 68.62 1y5k s THR 4 CO 0.08 -0.56 1.58 -0.65 -0.69 0.00 0.00 174.62 174.38 1y5k h PRO 5 N 1.22 -0.42 0.00 4.92 0.11 -1.98 1.08 132.00 136.93 1y5k h PRO 5 Ca -0.47 0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1y5k h PRO 5 Cb 1.18 0.10 0.00 0.00 0.11 0.00 0.00 31.00 32.39 1y5k h PRO 5 CO 0.63 -0.28 0.00 -0.85 -0.21 0.00 0.00 178.00 177.28 1y5k n GLU 6 N -5.43 0.06 -0.08 1.05 0.00 -1.26 -0.07 120.64 114.92 1y5k n GLU 6 Ca -0.03 0.42 -0.11 0.00 0.00 0.00 0.00 57.16 57.43 1y5k n GLU 6 Cb 0.36 -1.65 -0.07 0.00 0.00 0.00 0.00 31.44 30.08 1y5k n GLU 6 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 1y5k h GLU 7 N 0.00 0.00 -0.85 3.44 5.08 -1.22 -2.22 114.58 118.81 1y5k h GLU 7 Ca 0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1y5k h GLU 7 Cb 0.16 0.00 -0.16 0.00 0.50 0.00 0.00 28.75 29.26 1y5k h GLU 7 CO 0.00 0.52 -0.09 0.87 -1.00 0.00 0.00 179.01 179.31 1y5k h LYS 8 N -1.00 0.03 0.00 2.33 1.57 0.16 0.16 116.57 119.82 1y5k h LYS 8 Ca -0.12 -0.00 -0.10 0.00 -1.87 0.00 0.00 60.65 58.56 1y5k h LYS 8 Cb 0.78 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.07 1y5k h LYS 8 CO -0.07 0.02 -0.46 1.03 -0.57 0.00 0.00 179.45 179.40 1y5k h SER 9 N 0.04 0.00 -0.38 0.86 0.87 -0.58 -2.07 113.55 112.28 1y5k h SER 9 Ca 0.45 0.00 -0.16 0.00 -1.23 0.00 0.00 61.79 60.86 1y5k h SER 9 Cb 0.78 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.74 1y5k h SER 9 CO -0.82 0.46 -0.37 0.00 -0.53 0.00 0.00 176.83 175.57 1y5k h ALA 10 N 1.54 0.55 0.36 6.23 0.00 -0.11 -2.86 119.26 124.98 1y5k h ALA 10 Ca -0.00 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.44 1y5k h ALA 10 Cb 1.03 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.70 1y5k h ALA 10 CO 0.06 0.65 -0.17 0.28 0.00 0.00 0.00 179.25 180.07 1y5k h VAL 11 N 0.73 0.63 -0.07 0.00 2.07 -0.76 -3.07 116.25 115.77 1y5k h VAL 11 Ca 0.06 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.17 1y5k h VAL 11 Cb 0.96 0.84 -0.04 0.00 -1.52 0.00 0.00 31.29 31.54 1y5k h VAL 11 CO 0.09 0.08 -0.14 0.74 0.02 0.00 0.00 177.57 178.37 1y5k h THR 12 N -0.75 0.64 -0.69 2.57 2.02 -1.48 -1.79 112.91 113.43 1y5k h THR 12 Ca -0.05 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.17 1y5k h THR 12 Cb 0.51 0.64 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 1y5k h THR 12 CO 0.08 0.00 0.42 0.00 0.37 0.00 0.00 175.52 176.39 1y5k h ALA 13 N 0.83 0.92 -0.45 6.16 0.00 -1.59 -1.92 119.26 123.21 1y5k h ALA 13 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.87 1y5k h ALA 13 Cb 0.29 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 1y5k h ALA 13 CO -0.19 0.15 -0.15 1.25 0.00 0.00 0.00 179.25 180.31 1y5k h LEU 14 N 0.79 0.85 -1.78 0.00 5.85 -1.42 -2.96 115.31 116.64 1y5k h LEU 14 Ca 0.29 -0.28 -0.03 0.00 0.84 0.00 0.00 57.88 58.70 1y5k h LEU 14 Cb 0.09 -0.23 -0.00 0.00 0.37 0.00 0.00 40.66 40.89 1y5k h LEU 14 CO -0.14 1.00 -0.13 -0.25 -0.34 0.00 0.00 178.44 178.58 1y5k h TRP 15 N 0.75 0.00 0.00 1.25 2.91 -0.55 -1.91 115.95 118.40 1y5k h TRP 15 Ca 0.12 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.14 1y5k h TRP 15 Cb 0.67 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.32 1y5k h TRP 15 CO 0.04 0.13 0.00 0.41 -1.03 0.00 0.00 178.44 177.99 1y5k n GLY 16 N -0.51 -0.96 0.50 2.65 0.00 -0.97 -1.87 105.19 104.03 1y5k n GLY 16 Ca -0.01 -0.07 0.07 0.00 0.00 0.00 0.00 46.02 46.01 1y5k n GLY 16 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1y5k n LYS 17 N -1.39 1.20 -2.87 1.61 5.02 -0.72 -5.01 118.16 116.00 1y5k n LYS 17 Ca 0.06 -1.18 -0.41 0.00 -2.02 0.00 0.00 58.31 54.77 1y5k n LYS 17 Cb 0.17 -1.25 -0.04 0.00 -0.02 0.00 0.00 35.03 33.88 1y5k n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y5k s VAL 18 N -1.31 4.82 -0.70 -0.18 1.01 -0.78 -4.97 120.40 118.30 1y5k s VAL 18 Ca 0.15 1.79 -0.24 0.00 0.00 0.00 0.00 61.98 63.68 1y5k s VAL 18 Cb 0.12 -4.19 0.06 0.00 0.00 0.00 0.00 36.38 32.36 1y5k s VAL 18 CO 0.22 0.27 1.08 0.21 0.00 0.00 0.00 175.10 176.88 1y5k s ASN 19 N 0.50 6.18 0.09 3.32 3.84 -1.26 -4.90 114.94 122.71 1y5k s ASN 19 Ca 0.44 -0.83 -0.29 0.00 0.21 0.00 0.00 52.86 52.39 1y5k s ASN 19 Cb -0.20 -2.47 -0.14 0.00 -0.55 0.00 0.00 41.25 37.89 1y5k s ASN 19 CO 0.24 -1.57 1.65 0.58 -2.79 0.00 0.00 177.10 175.21 1y5k h VAL 20 N 6.00 0.49 -0.75 -5.21 2.07 -1.95 -0.95 116.25 115.96 1y5k h VAL 20 Ca -0.27 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.35 1y5k h VAL 20 Cb 1.06 0.49 -0.12 0.00 -1.52 0.00 0.00 31.29 31.20 1y5k h VAL 20 CO 1.22 0.00 -0.46 0.44 0.02 0.00 0.00 177.57 178.79 1y5k h ASP 21 N -0.56 -1.63 -0.29 0.57 5.19 -1.90 0.15 116.42 117.96 1y5k h ASP 21 Ca -0.02 0.28 -0.03 0.00 -0.62 0.00 0.00 57.03 56.63 1y5k h ASP 21 Cb 0.49 0.75 -0.01 0.00 0.18 0.00 0.00 39.33 40.74 1y5k h ASP 21 CO -0.01 -0.31 0.05 -0.33 -3.12 0.00 0.00 179.24 175.52 1y5k h GLU 22 N -0.14 0.48 -0.62 3.56 5.08 -1.88 -2.88 114.58 118.18 1y5k h GLU 22 Ca 0.21 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.38 1y5k h GLU 22 Cb 0.54 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.71 1y5k h GLU 22 CO -0.80 0.58 0.15 0.28 -1.00 0.00 0.00 179.01 178.22 1y5k h VAL 23 N 0.30 1.25 -0.51 3.13 2.07 -0.65 -1.45 116.25 120.40 1y5k h VAL 23 Ca 0.09 -0.92 -0.04 0.00 0.82 0.00 0.00 66.70 66.65 1y5k h VAL 23 Cb 0.33 0.66 -0.02 0.00 -1.52 0.00 0.00 31.29 30.74 1y5k h VAL 23 CO 0.00 0.34 0.13 1.23 0.02 0.00 0.00 177.57 179.30 1y5k h GLY 24 N 0.91 0.82 1.64 2.17 0.00 -0.73 0.11 103.07 107.98 1y5k h GLY 24 Ca 0.19 -0.45 -0.19 0.00 0.00 0.00 0.00 47.33 46.88 1y5k h GLY 24 CO 0.00 0.43 -0.77 -1.33 0.00 0.00 0.00 176.54 174.87 1y5k h GLY 25 N 0.93 0.39 1.04 4.60 0.00 -1.23 -1.63 103.07 107.16 1y5k h GLY 25 Ca 0.17 -0.57 -0.18 0.00 0.00 0.00 0.00 47.33 46.75 1y5k h GLY 25 CO -0.00 0.51 -0.58 0.83 0.00 0.00 0.00 176.54 177.30 1y5k h GLU 26 N 0.23 0.70 0.03 4.80 5.08 -1.00 -1.88 114.58 122.54 1y5k h GLU 26 Ca -0.04 -0.52 0.00 0.00 -1.00 0.00 0.00 59.36 57.81 1y5k h GLU 26 Cb 1.35 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.69 1y5k h GLU 26 CO 0.13 1.14 -0.04 0.00 -1.00 0.00 0.00 179.01 179.24 1y5k h ALA 27 N 0.56 -0.07 -0.34 3.43 0.00 -0.92 -1.13 119.26 120.80 1y5k h ALA 27 Ca -0.02 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1y5k h ALA 27 Cb 1.20 0.06 -0.01 0.00 0.00 0.00 0.00 17.79 19.04 1y5k h ALA 27 CO 0.12 -0.54 -0.31 1.25 0.00 0.00 0.00 179.25 179.76 1y5k h LEU 28 N -0.08 0.78 -0.79 0.00 5.85 -1.32 -2.36 115.31 117.39 1y5k h LEU 28 Ca 0.01 -0.32 -0.07 0.00 0.84 0.00 0.00 57.88 58.34 1y5k h LEU 28 Cb 0.09 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 40.88 1y5k h LEU 28 CO -0.02 1.03 0.15 1.23 -0.34 0.00 0.00 178.44 180.49 1y5k h GLY 29 N 0.95 1.14 1.20 3.75 0.00 -1.21 -2.86 103.07 106.04 1y5k h GLY 29 Ca 0.07 -0.71 -0.12 0.00 0.00 0.00 0.00 47.33 46.57 1y5k h GLY 29 CO 0.07 0.66 -0.18 3.21 0.00 0.00 0.00 176.54 180.31 1y5k h ARG 30 N 1.00 0.92 -0.67 4.80 3.08 -0.92 -2.28 114.38 120.32 1y5k h ARG 30 Ca 0.21 -0.36 0.06 0.00 0.07 0.00 0.00 59.98 59.96 1y5k h ARG 30 Cb 0.37 -0.05 -0.06 0.00 0.08 0.00 0.00 29.97 30.32 1y5k h ARG 30 CO 0.00 1.02 0.36 1.25 -1.07 0.00 0.00 179.97 181.53 1y5k h LEU 31 N 0.81 0.53 -1.05 3.04 5.85 -1.28 0.35 115.31 123.56 1y5k h LEU 31 Ca 0.12 0.03 -0.09 0.00 0.84 0.00 0.00 57.88 58.78 1y5k h LEU 31 Cb 0.72 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.67 1y5k h LEU 31 CO 0.06 0.34 -0.44 -0.07 -0.34 0.00 0.00 178.44 177.99 1y5k h LEU 32 N 0.67 0.00 0.11 2.25 3.38 -1.25 -1.34 115.31 119.13 1y5k h LEU 32 Ca 0.30 0.00 -0.28 0.00 0.09 0.00 0.00 57.88 57.99 1y5k h LEU 32 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.95 1y5k h LEU 32 CO -0.19 0.44 -1.46 0.58 0.09 0.00 0.00 178.44 177.90 1y5k h VAL 33 N 0.00 0.99 0.05 1.22 2.07 -0.79 -3.29 116.25 116.50 1y5k h VAL 33 Ca -0.00 -2.39 -0.24 0.00 0.82 0.00 0.00 66.70 64.89 1y5k h VAL 33 Cb 0.85 2.68 -0.00 0.00 -1.52 0.00 0.00 31.29 33.30 1y5k h VAL 33 CO 0.06 0.71 -1.05 0.58 0.02 0.00 0.00 177.57 177.89 1y5k h VAL 34 N -0.29 1.47 -2.68 2.57 2.07 -0.35 -3.36 116.25 115.68 1y5k h VAL 34 Ca -0.32 -2.76 -0.61 0.00 0.82 0.00 0.00 66.70 63.83 1y5k h VAL 34 Cb 1.78 2.66 -0.41 0.00 -1.52 0.00 0.00 31.29 33.79 1y5k h VAL 34 CO 0.06 0.81 -0.70 -1.22 0.02 0.00 0.00 177.57 176.54 1y5k n TYR 35 N -3.63 2.24 0.20 1.57 4.01 -0.51 -4.99 117.16 116.05 1y5k n TYR 35 Ca -0.06 -4.03 0.12 0.00 -0.16 0.00 0.00 57.90 53.77 1y5k n TYR 35 Cb 0.91 -0.42 0.66 0.00 -0.31 0.00 0.00 39.34 40.18 1y5k n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y5k h PRO 36 N 5.08 0.00 0.00 -0.72 0.13 -1.72 -1.34 132.00 133.44 1y5k h PRO 36 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.31 1y5k h PRO 36 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 1y5k h PRO 36 CO 0.65 0.00 0.00 0.11 -0.23 0.00 0.00 178.00 178.53 1y5k h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.90 -1.99 115.95 113.71 1y5k h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1y5k h TRP 37 Cb 0.14 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.38 1y5k h TRP 37 CO 0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y5k n THR 38 N -2.60 0.86 0.29 0.12 -2.24 -0.50 -2.60 114.28 107.61 1y5k n THR 38 Ca 0.02 0.24 0.04 0.00 -2.27 0.00 0.00 64.05 62.08 1y5k n THR 38 Cb 0.27 -1.14 0.19 0.00 -2.10 0.00 0.00 70.33 67.55 1y5k n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y5k n GLN 39 N -2.11 0.01 0.23 -0.78 6.02 -0.75 -3.04 117.38 116.96 1y5k n GLN 39 Ca 0.02 0.36 0.16 0.00 -0.01 0.00 0.00 57.00 57.54 1y5k n GLN 39 Cb 0.22 -1.52 0.79 0.00 1.02 0.00 0.00 30.24 30.74 1y5k n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y5k h ARG 40 N 0.00 0.00 -0.02 -1.09 0.11 -1.73 -0.24 114.38 111.41 1y5k h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y5k h ARG 40 Cb 0.15 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.23 1y5k h ARG 40 CO 0.00 0.00 -0.01 1.19 0.10 0.00 0.00 179.97 181.25 1y5k n PHE 41 N -2.66 0.00 -2.12 4.08 3.72 -1.17 -4.44 117.46 114.87 1y5k n PHE 41 Ca -0.01 0.00 -0.11 0.00 -0.05 0.00 0.00 57.45 57.28 1y5k n PHE 41 Cb 0.13 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.74 1y5k n PHE 41 CO 0.00 0.00 0.00 1.19 -0.05 0.00 0.00 176.76 177.90 1y5k n PHE 42 N 0.88 1.71 -0.27 1.38 3.72 -0.10 -4.86 117.46 119.92 1y5k n PHE 42 Ca 0.16 -1.93 -0.01 0.00 -0.05 0.00 0.00 57.45 55.62 1y5k n PHE 42 Cb 0.50 -0.29 0.11 0.00 -0.94 0.00 0.00 39.48 38.87 1y5k n PHE 42 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1y5k h GLU 43 N 1.93 0.82 0.00 -1.08 4.39 -1.78 -2.90 114.58 115.97 1y5k h GLU 43 Ca 0.16 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.81 1y5k h GLU 43 Cb 1.40 -0.19 0.00 0.00 -0.10 0.00 0.00 28.75 29.87 1y5k h GLU 43 CO 0.45 0.54 0.00 -1.13 -1.16 0.00 0.00 179.01 177.71 1y5k n SER 44 N -4.69 0.00 0.19 1.42 3.41 -1.26 -2.62 113.62 110.06 1y5k n SER 44 Ca 0.10 0.19 0.14 0.00 -0.26 0.00 0.00 58.87 59.04 1y5k n SER 44 Cb 0.16 -0.39 0.57 0.00 -0.26 0.00 0.00 64.21 64.29 1y5k n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y5k h PHE 45 N 0.00 0.00 0.00 7.33 -1.00 -1.90 -3.48 116.94 117.88 1y5k h PHE 45 Ca 0.00 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.78 1y5k h PHE 45 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 1y5k h PHE 45 CO 0.00 0.00 0.00 0.41 -1.61 0.00 0.00 178.31 177.11 1y5k n GLY 46 N -0.01 0.84 3.68 -1.45 0.00 -1.08 -4.86 105.19 102.32 1y5k n GLY 46 Ca 0.01 -1.68 -0.42 0.00 0.00 0.00 0.00 46.02 43.93 1y5k n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y5k s ASP 47 N -4.00 6.62 -0.01 1.61 2.15 -1.26 -4.82 116.67 116.96 1y5k s ASP 47 Ca 0.00 2.43 0.21 0.00 0.43 0.00 0.00 52.55 55.63 1y5k s ASP 47 Cb 0.00 -2.55 0.36 0.00 -0.30 0.00 0.00 42.92 40.42 1y5k s ASP 47 CO 0.00 -0.90 1.14 0.18 -0.17 0.00 0.00 175.17 175.42 1y5k n LEU 48 N 6.02 0.89 -0.28 -1.34 4.77 -1.26 -4.50 117.00 121.29 1y5k n LEU 48 Ca 0.16 -1.89 -0.06 0.00 -0.03 0.00 0.00 56.01 54.19 1y5k n LEU 48 Cb 0.41 -0.02 0.06 0.00 -2.33 0.00 0.00 43.42 41.54 1y5k n LEU 48 CO 0.63 0.48 1.04 0.77 -1.33 0.00 0.00 177.39 178.98 1y5k h SER 49 N 0.83 1.05 -4.18 -1.43 4.64 -1.93 -3.45 113.55 109.08 1y5k h SER 49 Ca -0.19 -0.17 -0.33 0.00 -0.47 0.00 0.00 61.79 60.63 1y5k h SER 49 Cb 1.79 -0.27 -0.14 0.00 -0.31 0.00 0.00 62.40 63.46 1y5k h SER 49 CO 0.08 0.93 -0.66 0.42 -0.87 0.00 0.00 176.83 176.73 1y5k s THR 50 N -5.57 0.87 0.20 2.95 -4.23 -1.26 -5.03 115.64 103.58 1y5k s THR 50 Ca -0.12 -2.01 -0.10 0.00 -1.18 0.00 0.00 61.69 58.27 1y5k s THR 50 Cb 0.15 -2.21 0.14 0.00 1.34 0.00 0.00 72.50 71.91 1y5k s THR 50 CO 0.83 -0.41 1.74 -0.65 -0.54 0.00 0.00 174.62 175.59 1y5k h PRO 51 N 2.59 0.37 0.02 3.99 0.11 -1.98 -0.35 132.00 136.75 1y5k h PRO 51 Ca -0.37 -0.02 0.02 0.00 0.11 0.00 0.00 66.00 65.73 1y5k h PRO 51 Cb 1.21 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 1y5k h PRO 51 CO 0.63 0.24 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.11 1y5k h ASP 52 N 0.38 -0.33 -0.81 -2.05 3.32 -1.98 0.23 116.42 115.18 1y5k h ASP 52 Ca 0.29 0.05 0.14 0.00 0.02 0.00 0.00 57.03 57.53 1y5k h ASP 52 Cb 0.36 0.14 -0.09 0.00 0.22 0.00 0.00 39.33 39.96 1y5k h ASP 52 CO -0.30 -0.17 0.39 0.00 -1.72 0.00 0.00 179.24 177.44 1y5k h ALA 53 N 0.75 1.18 -0.21 3.45 0.00 -1.66 -1.87 119.26 120.89 1y5k h ALA 53 Ca 0.04 0.09 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1y5k h ALA 53 Cb 0.25 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y5k h ALA 53 CO -0.10 -0.11 -0.21 0.28 0.00 0.00 0.00 179.25 179.11 1y5k h VAL 54 N 0.58 1.32 -0.16 0.00 2.07 0.76 -2.46 116.25 118.36 1y5k h VAL 54 Ca 0.43 -1.37 -0.11 0.00 0.82 0.00 0.00 66.70 66.48 1y5k h VAL 54 Cb 0.60 1.73 -0.01 0.00 -1.52 0.00 0.00 31.29 32.09 1y5k h VAL 54 CO -0.36 0.42 -0.36 0.24 0.02 0.00 0.00 177.57 177.53 1y5k h MET 55 N 0.21 0.34 0.00 1.57 2.86 -0.49 -2.97 114.93 116.45 1y5k h MET 55 Ca 0.03 -0.15 -0.09 0.00 -2.06 0.00 0.00 59.70 57.43 1y5k h MET 55 Cb 0.76 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 32.40 1y5k h MET 55 CO 0.05 0.66 -0.43 0.78 1.06 0.00 0.00 176.91 179.04 1y5k h GLY 56 N 1.13 0.00 -5.57 8.32 0.00 -1.34 -3.46 103.07 102.15 1y5k h GLY 56 Ca 0.03 0.00 -0.57 0.00 0.00 0.00 0.00 47.33 46.79 1y5k h GLY 56 CO 0.06 0.00 1.19 -2.01 0.00 0.00 0.00 176.54 175.78 1y5k n ASN 57 N -3.31 3.85 0.14 0.19 2.85 -0.93 -4.86 115.26 113.20 1y5k n ASN 57 Ca 0.01 0.92 -0.00 0.00 -0.11 0.00 0.00 54.58 55.40 1y5k n ASN 57 Cb 0.64 -1.46 0.23 0.00 1.24 0.00 0.00 39.78 40.43 1y5k n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y5k h PRO 58 N 10.12 0.04 0.00 1.20 0.14 -1.90 -1.44 132.00 140.16 1y5k h PRO 58 Ca -0.49 -0.02 -0.13 0.00 0.14 0.00 0.00 66.00 65.49 1y5k h PRO 58 Cb 1.25 0.00 -0.02 0.00 0.14 0.00 0.00 31.00 32.38 1y5k h PRO 58 CO 0.94 0.55 -0.62 0.87 0.14 0.00 0.00 178.00 179.88 1y5k h LYS 59 N 0.03 0.00 0.06 0.86 1.57 -1.89 0.11 116.57 117.32 1y5k h LYS 59 Ca -0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 1y5k h LYS 59 Cb 0.93 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.24 1y5k h LYS 59 CO 0.07 0.62 -0.03 0.28 -0.57 0.00 0.00 179.45 179.82 1y5k h VAL 60 N 0.00 1.14 -0.80 0.50 2.07 -1.70 0.12 116.25 117.59 1y5k h VAL 60 Ca -0.01 -0.72 0.01 0.00 0.82 0.00 0.00 66.70 66.80 1y5k h VAL 60 Cb 1.11 1.61 -0.04 0.00 -1.52 0.00 0.00 31.29 32.45 1y5k h VAL 60 CO 0.08 0.18 0.52 0.11 0.02 0.00 0.00 177.57 178.48 1y5k h LYS 61 N -0.41 1.06 -0.02 1.57 1.57 -1.09 0.25 116.57 119.51 1y5k h LYS 61 Ca -0.01 -0.07 -0.20 0.00 -1.87 0.00 0.00 60.65 58.50 1y5k h LYS 61 Cb 0.36 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.43 1y5k h LYS 61 CO 0.01 0.71 -0.85 0.00 -0.57 0.00 0.00 179.45 178.76 1y5k h ALA 62 N 1.49 0.51 -0.00 3.86 0.00 -0.69 -2.20 119.26 122.23 1y5k h ALA 62 Ca 0.29 -0.68 -0.13 0.00 0.00 0.00 0.00 54.91 54.39 1y5k h ALA 62 Cb -0.11 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 1y5k h ALA 62 CO -0.06 0.84 -0.63 1.25 0.00 0.00 0.00 179.25 180.64 1y5k h HIS 63 N 0.19 0.01 -0.53 0.00 -0.00 0.03 -2.82 115.15 112.04 1y5k h HIS 63 Ca -0.05 -0.01 -0.08 0.00 -0.00 0.00 0.00 60.37 60.23 1y5k h HIS 63 Cb 1.46 -0.00 -0.02 0.00 -0.00 0.00 0.00 27.41 28.85 1y5k h HIS 63 CO 0.04 0.64 -0.00 0.78 -0.00 0.00 0.00 177.93 179.39 1y5k h GLY 64 N 1.88 1.01 1.36 5.26 0.00 -0.82 -1.19 103.07 110.57 1y5k h GLY 64 Ca -0.01 -0.74 -0.05 0.00 0.00 0.00 0.00 47.33 46.54 1y5k h GLY 64 CO 0.08 0.68 0.14 1.70 0.00 0.00 0.00 176.54 179.14 1y5k h LYS 65 N 0.80 0.81 0.10 4.80 3.64 -1.31 -1.96 116.57 123.45 1y5k h LYS 65 Ca 0.15 -0.16 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1y5k h LYS 65 Cb 0.53 -0.13 0.00 0.00 -0.41 0.00 0.00 32.23 32.23 1y5k h LYS 65 CO 0.03 0.72 -0.05 -0.22 -2.27 0.00 0.00 179.45 177.66 1y5k h LYS 66 N 0.78 -0.13 -0.46 1.90 3.64 -1.22 -0.82 116.57 120.25 1y5k h LYS 66 Ca 0.17 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1y5k h LYS 66 Cb 0.27 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.05 1y5k h LYS 66 CO -0.00 0.32 0.06 0.28 -2.27 0.00 0.00 179.45 177.84 1y5k h VAL 67 N -0.66 0.71 0.00 2.00 2.07 -1.16 -2.26 116.25 116.94 1y5k h VAL 67 Ca -0.01 -0.06 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1y5k h VAL 67 Cb 0.52 0.51 -0.00 0.00 -1.52 0.00 0.00 31.29 30.79 1y5k h VAL 67 CO 0.02 0.03 -0.14 0.25 0.02 0.00 0.00 177.57 177.76 1y5k h LEU 68 N 0.18 0.00 -0.47 2.57 5.85 -1.37 -0.69 115.31 121.39 1y5k h LEU 68 Ca 0.23 0.00 -0.03 0.00 0.84 0.00 0.00 57.88 58.92 1y5k h LEU 68 Cb 0.32 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 1y5k h LEU 68 CO -0.33 0.14 0.19 1.23 -0.34 0.00 0.00 178.44 179.33 1y5k h GLY 69 N 2.89 0.75 1.54 3.75 0.00 -0.59 0.58 103.07 112.00 1y5k h GLY 69 Ca -0.00 -0.40 -0.20 0.00 0.00 0.00 0.00 47.33 46.72 1y5k h GLY 69 CO 0.02 0.38 -0.82 0.00 0.00 0.00 0.00 176.54 176.12 1y5k h ALA 70 N 1.04 0.48 -0.64 3.60 0.00 -0.94 -2.14 119.26 120.66 1y5k h ALA 70 Ca 0.16 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.45 1y5k h ALA 70 Cb 0.18 -0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.89 1y5k h ALA 70 CO -0.01 0.78 0.38 0.35 0.00 0.00 0.00 179.25 180.75 1y5k h PHE 71 N 0.27 0.71 0.05 0.00 3.04 -0.73 -2.34 116.94 117.94 1y5k h PHE 71 Ca -0.05 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 61.92 1y5k h PHE 71 Cb 1.43 -0.23 0.00 0.00 2.56 0.00 0.00 35.95 39.71 1y5k h PHE 71 CO 0.05 0.39 -0.03 1.03 -2.02 0.00 0.00 178.31 177.74 1y5k h SER 72 N 0.74 -0.06 -0.32 0.41 0.87 0.42 -0.43 113.55 115.19 1y5k h SER 72 Ca 0.26 -0.02 0.09 0.00 -1.23 0.00 0.00 61.79 60.89 1y5k h SER 72 Cb 0.06 0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1y5k h SER 72 CO -0.12 -0.02 0.23 0.44 -0.53 0.00 0.00 176.83 176.82 1y5k h ASP 73 N -0.10 0.01 -0.07 6.23 3.32 -1.29 0.37 116.42 124.89 1y5k h ASP 73 Ca -0.01 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.03 1y5k h ASP 73 Cb 0.08 -0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.62 1y5k h ASP 73 CO 0.01 0.01 0.03 1.23 -1.72 0.00 0.00 179.24 178.80 1y5k h GLY 74 N 0.02 0.16 1.68 2.75 0.00 -0.51 -2.61 103.07 104.55 1y5k h GLY 74 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 47.33 47.41 1y5k h GLY 74 CO -0.00 0.06 0.00 1.04 0.00 0.00 0.00 176.54 177.64 1y5k n LEU 75 N -4.47 0.00 0.07 3.11 4.77 0.12 -0.72 117.00 119.88 1y5k n LEU 75 Ca -0.01 0.34 0.11 0.00 -0.03 0.00 0.00 56.01 56.42 1y5k n LEU 75 Cb 0.12 -0.34 0.02 0.00 -2.33 0.00 0.00 43.42 40.89 1y5k n LEU 75 CO 0.35 -0.11 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 1y5k n ALA 76 N -1.34 2.79 -1.67 -1.18 0.00 -0.98 -4.30 120.51 113.83 1y5k n ALA 76 Ca 0.08 -0.29 -0.17 0.00 0.00 0.00 0.00 53.44 53.05 1y5k n ALA 76 Cb 0.18 -1.06 0.11 0.00 0.00 0.00 0.00 19.45 18.67 1y5k n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y5k n HIS 77 N -2.40 2.10 -0.15 0.00 8.25 0.11 -4.84 115.22 118.28 1y5k n HIS 77 Ca 0.01 -2.12 0.09 0.00 -0.26 0.00 0.00 57.72 55.44 1y5k n HIS 77 Cb 0.51 -0.60 0.41 0.00 1.12 0.00 0.00 29.99 31.44 1y5k n HIS 77 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1y5k h LEU 78 N 1.66 0.55 -0.45 2.41 3.38 -1.74 0.17 115.31 121.29 1y5k h LEU 78 Ca 0.34 0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.32 1y5k h LEU 78 Cb 1.43 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.07 1y5k h LEU 78 CO 0.74 0.34 0.00 0.44 0.09 0.00 0.00 178.44 180.05 1y5k h ASP 79 N 0.61 0.00 -2.28 -0.43 3.32 -1.92 -3.36 116.42 112.36 1y5k h ASP 79 Ca 0.32 0.00 -0.58 0.00 0.02 0.00 0.00 57.03 56.78 1y5k h ASP 79 Cb 0.43 0.00 -0.39 0.00 0.22 0.00 0.00 39.33 39.59 1y5k h ASP 79 CO -0.11 0.00 -0.95 -3.20 -1.72 0.00 0.00 179.24 173.26 1y5k n ASN 80 N -2.39 0.53 -0.11 6.45 5.15 0.60 -4.72 115.26 120.76 1y5k n ASN 80 Ca 0.03 -2.68 -0.13 0.00 -0.60 0.00 0.00 54.58 51.20 1y5k n ASN 80 Cb 0.34 -0.62 -0.03 0.00 -0.53 0.00 0.00 39.78 38.94 1y5k n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y5k h LEU 81 N 4.83 0.90 -0.16 1.20 3.38 -1.69 -3.08 115.31 120.70 1y5k h LEU 81 Ca 0.17 -0.46 0.04 0.00 0.09 0.00 0.00 57.88 57.72 1y5k h LEU 81 Cb 0.86 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.32 1y5k h LEU 81 CO 0.49 1.17 -0.06 0.11 0.09 0.00 0.00 178.44 180.24 1y5k h LYS 82 N 0.63 -0.04 -0.34 1.13 6.56 -1.91 -2.56 116.57 120.04 1y5k h LYS 82 Ca 0.06 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.65 1y5k h LYS 82 Cb 0.91 0.01 -0.02 0.00 -0.57 0.00 0.00 32.23 32.57 1y5k h LYS 82 CO 0.08 -0.03 0.22 0.78 -2.06 0.00 0.00 179.45 178.44 1y5k h GLY 83 N -0.04 0.49 0.93 3.86 0.00 -1.97 -2.43 103.07 103.91 1y5k h GLY 83 Ca 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.25 1y5k h GLY 83 CO -0.19 0.19 0.58 -0.84 0.00 0.00 0.00 176.54 176.29 1y5k h THR 84 N 0.46 1.18 -0.51 4.70 2.02 -1.42 -3.19 112.91 116.15 1y5k h THR 84 Ca 0.12 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.91 1y5k h THR 84 Cb -0.03 -0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.30 1y5k h THR 84 CO -0.03 0.21 0.00 0.49 0.37 0.00 0.00 175.52 176.57 1y5k n PHE 85 N -4.50 0.66 -0.18 3.16 3.72 -0.98 -4.64 117.46 114.69 1y5k n PHE 85 Ca 0.11 -0.33 -0.00 0.00 -0.05 0.00 0.00 57.45 57.17 1y5k n PHE 85 Cb 0.06 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.68 1y5k n PHE 85 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1y5k h ALA 86 N 4.44 0.54 0.00 4.37 0.00 -1.43 0.40 119.26 127.59 1y5k h ALA 86 Ca 0.00 0.17 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 1y5k h ALA 86 Cb 0.99 0.30 -0.02 0.00 0.00 0.00 0.00 17.79 19.07 1y5k h ALA 86 CO 0.00 -0.39 -0.53 1.79 0.00 0.00 0.00 179.25 180.12 1y5k h THR 87 N 0.12 1.04 -0.47 0.00 1.35 -1.86 -1.77 112.91 111.32 1y5k h THR 87 Ca 0.29 -2.08 -0.14 0.00 -0.55 0.00 0.00 66.41 63.93 1y5k h THR 87 Cb 0.46 2.25 -0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1y5k h THR 87 CO -0.48 0.52 -0.24 0.25 -0.25 0.00 0.00 175.52 175.32 1y5k h LEU 88 N 0.00 1.02 0.17 3.87 5.85 -1.36 -1.53 115.31 123.32 1y5k h LEU 88 Ca -0.01 -0.40 0.01 0.00 0.84 0.00 0.00 57.88 58.32 1y5k h LEU 88 Cb 1.20 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 41.93 1y5k h LEU 88 CO 0.07 1.20 -0.19 -1.28 -0.34 0.00 0.00 178.44 177.90 1y5k h SER 89 N 0.85 -0.50 -0.60 1.25 0.87 0.09 -1.69 113.55 113.82 1y5k h SER 89 Ca 0.10 0.05 0.07 0.00 -1.23 0.00 0.00 61.79 60.78 1y5k h SER 89 Cb 0.82 0.18 -0.06 0.00 -0.44 0.00 0.00 62.40 62.90 1y5k h SER 89 CO 0.07 -0.28 0.29 -0.33 -0.53 0.00 0.00 176.83 176.05 1y5k h GLU 90 N -0.39 0.52 -0.60 2.24 5.08 -1.09 -1.63 114.58 118.70 1y5k h GLU 90 Ca 0.01 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.30 1y5k h GLU 90 Cb 0.38 -0.12 -0.03 0.00 0.50 0.00 0.00 28.75 29.49 1y5k h GLU 90 CO -0.06 0.34 0.24 1.25 -1.00 0.00 0.00 179.01 179.78 1y5k h LEU 91 N 0.53 0.83 -0.91 1.33 5.85 -1.10 0.27 115.31 122.10 1y5k h LEU 91 Ca 0.28 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.82 1y5k h LEU 91 Cb 0.24 -0.21 -0.04 0.00 0.37 0.00 0.00 40.66 41.01 1y5k h LEU 91 CO -0.22 0.77 0.53 0.45 -0.34 0.00 0.00 178.44 179.64 1y5k h HIS 92 N 0.83 1.22 0.01 1.25 3.86 -0.80 -0.16 115.15 121.37 1y5k h HIS 92 Ca 0.20 -0.01 -0.00 0.00 -1.16 0.00 0.00 60.37 59.40 1y5k h HIS 92 Cb 0.20 -0.40 0.00 0.00 1.06 0.00 0.00 27.41 28.28 1y5k h HIS 92 CO 0.01 0.82 -0.01 0.00 0.86 0.00 0.00 177.93 179.62 1y5k h ASP 94 N -0.95 0.00 0.00 0.00 3.32 -0.48 -3.05 116.42 115.26 1y5k h ASP 94 Ca -0.00 0.00 -0.36 0.00 0.02 0.00 0.00 57.03 56.69 1y5k h ASP 94 Cb 0.78 0.00 -0.07 0.00 0.22 0.00 0.00 39.33 40.27 1y5k h ASP 94 CO 0.00 0.99 -2.36 0.29 -1.72 0.00 0.00 179.24 176.44 1y5k n LYS 95 N -3.08 0.71 0.04 3.56 4.01 -0.19 -4.65 118.16 118.55 1y5k n LYS 95 Ca -0.14 0.09 0.06 0.00 -0.51 0.00 0.00 58.31 57.81 1y5k n LYS 95 Cb 1.03 -1.49 -0.08 0.00 -0.51 0.00 0.00 35.03 33.98 1y5k n LYS 95 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 1y5k n LEU 96 N -3.04 0.55 -3.77 -0.35 4.77 -0.53 -5.00 117.00 109.63 1y5k n LEU 96 Ca -0.39 0.23 -0.24 0.00 -0.03 0.00 0.00 56.01 55.58 1y5k n LEU 96 Cb 1.02 0.04 0.03 0.00 -2.33 0.00 0.00 43.42 42.17 1y5k n LEU 96 CO 0.30 0.01 -0.04 1.41 -1.33 0.00 0.00 177.39 177.74 1y5k n HIS 97 N -2.63 -1.98 -3.39 -1.77 8.25 -0.46 -4.96 115.22 108.27 1y5k n HIS 97 Ca -0.07 0.85 -0.40 0.00 -0.26 0.00 0.00 57.72 57.84 1y5k n HIS 97 Cb 0.69 -4.26 -0.09 0.00 1.12 0.00 0.00 29.99 27.45 1y5k n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y5k s VAL 98 N -3.61 5.16 0.48 1.59 1.01 -0.60 -5.02 120.40 119.41 1y5k s VAL 98 Ca 0.15 0.31 -0.24 0.00 0.00 0.00 0.00 61.98 62.20 1y5k s VAL 98 Cb -0.07 -3.77 -0.07 0.00 0.00 0.00 0.00 36.38 32.47 1y5k s VAL 98 CO 0.82 0.02 1.32 0.00 0.00 0.00 0.00 175.10 177.26 1y5k s ALA 99 N 2.07 3.04 -0.08 5.51 0.00 -1.26 -4.66 121.76 126.37 1y5k s ALA 99 Ca 0.14 1.25 0.30 0.00 0.00 0.00 0.00 51.96 53.65 1y5k s ALA 99 Cb -0.16 -3.51 1.30 0.00 0.00 0.00 0.00 23.12 20.74 1y5k s ALA 99 CO 0.11 -1.05 1.90 -1.35 0.00 0.00 0.00 175.76 175.37 1y5k h PRO 100 N 2.04 0.00 0.00 0.00 0.11 -1.97 -2.77 132.00 129.42 1y5k h PRO 100 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1y5k h PRO 100 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1y5k h PRO 100 CO 0.60 0.00 0.00 1.05 -0.21 0.00 0.00 178.00 179.44 1y5k h GLU 101 N 0.00 0.00 -0.03 1.05 9.09 -1.99 0.69 114.58 123.39 1y5k h GLU 101 Ca 0.00 0.00 -0.07 0.00 0.05 0.00 0.00 59.36 59.34 1y5k h GLU 101 Cb 0.40 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 27.49 1y5k h GLU 101 CO 0.00 0.00 -0.32 -0.91 0.05 0.00 0.00 179.01 177.83 1y5k h ASN 102 N 0.00 0.05 0.71 3.06 4.21 -1.87 -2.38 115.58 119.38 1y5k h ASN 102 Ca 0.00 -0.02 -0.16 0.00 1.21 0.00 0.00 56.30 57.33 1y5k h ASN 102 Cb 0.12 -0.01 -0.02 0.00 -1.12 0.00 0.00 38.32 37.28 1y5k h ASN 102 CO 0.00 0.37 -0.77 -0.26 -1.29 0.00 0.00 177.43 175.48 1y5k h PHE 103 N 0.05 0.05 -0.09 1.19 0.04 -1.05 -1.79 116.94 115.33 1y5k h PHE 103 Ca 0.01 -0.03 -0.14 0.00 2.80 0.00 0.00 57.97 60.60 1y5k h PHE 103 Cb 0.59 -0.01 0.01 0.00 2.20 0.00 0.00 35.95 38.74 1y5k h PHE 103 CO 0.00 0.79 -0.51 0.00 -0.60 0.00 0.00 178.31 177.99 1y5k h ARG 104 N 0.02 0.50 -0.51 1.51 3.08 -1.54 -2.60 114.38 114.84 1y5k h ARG 104 Ca -0.01 -0.42 0.09 0.00 0.07 0.00 0.00 59.98 59.71 1y5k h ARG 104 Cb 1.35 0.09 -0.07 0.00 0.08 0.00 0.00 29.97 31.42 1y5k h ARG 104 CO 0.10 1.05 0.09 -0.07 -1.07 0.00 0.00 179.97 180.08 1y5k h LEU 105 N 0.09 -0.02 -1.28 3.04 3.38 -1.23 -1.97 115.31 117.31 1y5k h LEU 105 Ca -0.04 0.09 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 1y5k h LEU 105 Cb 1.16 0.13 -0.01 0.00 0.09 0.00 0.00 40.66 42.03 1y5k h LEU 105 CO 0.10 0.02 -0.23 0.25 0.09 0.00 0.00 178.44 178.68 1y5k h LEU 106 N 0.23 0.20 -0.28 1.67 5.85 -1.30 -1.39 115.31 120.29 1y5k h LEU 106 Ca 0.26 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.87 1y5k h LEU 106 Cb 0.36 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.32 1y5k h LEU 106 CO -0.34 0.44 -0.03 1.23 -0.34 0.00 0.00 178.44 179.40 1y5k h GLY 107 N 0.89 0.55 1.00 3.75 0.00 -1.03 0.45 103.07 108.68 1y5k h GLY 107 Ca 0.03 -0.42 -0.02 0.00 0.00 0.00 0.00 47.33 46.92 1y5k h GLY 107 CO 0.03 0.39 0.34 3.43 0.00 0.00 0.00 176.54 180.74 1y5k h ASN 108 N 0.28 0.86 -0.38 0.19 2.35 -1.10 -0.88 115.58 116.90 1y5k h ASN 108 Ca 0.08 -0.12 -0.01 0.00 -0.55 0.00 0.00 56.30 55.70 1y5k h ASN 108 Cb 0.47 -0.22 -0.02 0.00 0.05 0.00 0.00 38.32 38.61 1y5k h ASN 108 CO 0.02 0.73 0.20 0.58 -1.65 0.00 0.00 177.43 177.31 1y5k h VAL 109 N 0.92 1.16 -0.68 2.81 2.07 -0.81 -2.60 116.25 119.12 1y5k h VAL 109 Ca 0.23 -0.44 0.13 0.00 0.82 0.00 0.00 66.70 67.45 1y5k h VAL 109 Cb 0.08 0.75 -0.10 0.00 -1.52 0.00 0.00 31.29 30.51 1y5k h VAL 109 CO -0.03 0.17 0.18 0.25 0.02 0.00 0.00 177.57 178.16 1y5k h LEU 110 N 0.48 0.06 -1.05 2.57 5.85 0.66 -0.58 115.31 123.30 1y5k h LEU 110 Ca 0.13 0.12 -0.06 0.00 0.84 0.00 0.00 57.88 58.91 1y5k h LEU 110 Cb 0.09 0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 1y5k h LEU 110 CO -0.02 0.01 0.02 0.58 -0.34 0.00 0.00 178.44 178.70 1y5k h VAL 111 N 0.30 1.22 -0.56 1.05 2.07 -0.97 0.31 116.25 119.68 1y5k h VAL 111 Ca 0.37 -0.89 -0.06 0.00 0.82 0.00 0.00 66.70 66.93 1y5k h VAL 111 Cb 0.58 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.20 1y5k h VAL 111 CO -0.44 0.31 0.09 0.00 0.02 0.00 0.00 177.57 177.55 1y5k h VAL 113 N 0.85 1.31 -0.56 0.00 2.07 -0.29 -0.51 116.25 119.12 1y5k h VAL 113 Ca 0.18 -1.76 0.00 0.00 0.82 0.00 0.00 66.70 65.94 1y5k h VAL 113 Cb 0.38 1.89 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 1y5k h VAL 113 CO 0.01 0.55 0.35 -0.07 0.02 0.00 0.00 177.57 178.44 1y5k h LEU 114 N 0.42 0.65 -0.38 2.57 3.38 -0.85 -0.78 115.31 120.32 1y5k h LEU 114 Ca -0.01 -0.02 -0.13 0.00 0.09 0.00 0.00 57.88 57.81 1y5k h LEU 114 Cb 1.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 41.73 1y5k h LEU 114 CO 0.12 0.49 -0.26 0.00 0.09 0.00 0.00 178.44 178.87 1y5k h ALA 115 N 1.63 0.54 -0.70 1.53 0.00 -1.14 -1.46 119.26 119.66 1y5k h ALA 115 Ca 0.20 -0.40 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1y5k h ALA 115 Cb -0.06 -0.13 -0.04 0.00 0.00 0.00 0.00 17.79 17.57 1y5k h ALA 115 CO -0.04 0.55 0.46 1.25 0.00 0.00 0.00 179.25 181.48 1y5k h HIS 116 N 0.65 0.85 0.20 0.00 -0.00 -0.66 -1.49 115.15 114.71 1y5k h HIS 116 Ca 0.07 0.02 -0.34 0.00 -0.00 0.00 0.00 60.37 60.13 1y5k h HIS 116 Cb 0.84 -0.29 0.02 0.00 -0.00 0.00 0.00 27.41 27.98 1y5k h HIS 116 CO 0.06 0.51 -1.60 0.45 -0.00 0.00 0.00 177.93 177.36 1y5k h HIS 117 N 0.90 0.79 -0.01 5.26 -0.00 -0.83 -3.39 115.15 117.87 1y5k h HIS 117 Ca 0.27 -0.57 0.00 0.00 -0.00 0.00 0.00 60.37 60.07 1y5k h HIS 117 Cb -0.02 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.36 1y5k h HIS 117 CO -0.00 1.58 -0.70 1.19 -0.00 0.00 0.00 177.93 180.00 1y5k n PHE 118 N -3.62 0.00 0.00 2.45 3.72 -0.58 -5.04 117.46 114.38 1y5k n PHE 118 Ca -0.20 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.20 1y5k n PHE 118 Cb 1.08 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.62 1y5k n PHE 118 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1y5k n GLY 119 N 1.40 2.98 0.33 1.37 0.00 -0.56 -1.29 105.19 109.42 1y5k n GLY 119 Ca 0.06 0.22 0.18 0.00 0.00 0.00 0.00 46.02 46.47 1y5k n GLY 119 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1y5k h LYS 120 N 0.00 0.46 0.00 1.61 1.79 -1.96 0.49 116.57 118.95 1y5k h LYS 120 Ca 0.00 -0.03 -0.03 0.00 -2.18 0.00 0.00 60.65 58.41 1y5k h LYS 120 Cb 0.00 -0.10 -0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1y5k h LYS 120 CO 0.00 0.30 -0.15 1.49 -1.08 0.00 0.00 179.45 180.01 1y5k h GLU 121 N 0.47 0.00 -3.15 3.15 4.81 -1.60 -3.27 114.58 114.99 1y5k h GLU 121 Ca 0.64 0.00 -0.71 0.00 -0.13 0.00 0.00 59.36 59.16 1y5k h GLU 121 Cb 1.27 0.00 -0.06 0.00 0.63 0.00 0.00 28.75 30.59 1y5k h GLU 121 CO -0.52 0.15 2.98 0.34 -0.73 0.00 0.00 179.01 181.23 1y5k n PHE 122 N -3.62 2.76 -1.22 0.92 7.35 0.17 -4.93 117.46 118.90 1y5k n PHE 122 Ca -0.01 -2.94 -0.30 0.00 -0.76 0.00 0.00 57.45 53.44 1y5k n PHE 122 Cb 0.28 -2.22 0.13 0.00 0.35 0.00 0.00 39.48 38.02 1y5k n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y5k s THR 123 N 1.05 2.76 0.24 -2.13 -4.23 -1.24 -4.63 115.64 107.46 1y5k s THR 123 Ca 0.56 0.25 -0.07 0.00 -1.18 0.00 0.00 61.69 61.25 1y5k s THR 123 Cb 0.16 -2.73 0.24 0.00 1.34 0.00 0.00 72.50 71.51 1y5k s THR 123 CO -0.06 -0.32 1.66 -0.65 -0.54 0.00 0.00 174.62 174.70 1y5k h PRO 124 N -1.48 0.16 -0.56 3.99 0.11 -1.93 0.13 132.00 132.43 1y5k h PRO 124 Ca -0.48 -0.01 -0.05 0.00 0.11 0.00 0.00 66.00 65.56 1y5k h PRO 124 Cb 1.28 -0.04 -0.02 0.00 0.11 0.00 0.00 31.00 32.33 1y5k h PRO 124 CO 0.54 0.11 0.15 -1.35 -0.21 0.00 0.00 178.00 177.24 1y5k h PRO 125 N 0.17 0.89 -0.21 1.05 0.11 -1.99 -2.27 132.00 129.74 1y5k h PRO 125 Ca 0.40 -0.21 -0.05 0.00 0.11 0.00 0.00 66.00 66.25 1y5k h PRO 125 Cb 0.68 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 31.66 1y5k h PRO 125 CO -0.57 0.83 -0.07 0.28 -0.21 0.00 0.00 178.00 178.25 1y5k h VAL 126 N 0.80 1.18 -0.27 3.15 2.07 -1.22 -2.30 116.25 119.66 1y5k h VAL 126 Ca 0.18 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.93 1y5k h VAL 126 Cb 0.33 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.18 1y5k h VAL 126 CO -0.00 0.24 0.03 -0.61 0.02 0.00 0.00 177.57 177.25 1y5k h GLN 127 N 0.32 0.45 -1.00 1.57 4.15 -0.67 -2.61 115.11 117.32 1y5k h GLN 127 Ca 0.07 -0.13 0.06 0.00 0.77 0.00 0.00 58.65 59.42 1y5k h GLN 127 Cb 0.33 -0.05 -0.07 0.00 0.21 0.00 0.00 27.48 27.91 1y5k h GLN 127 CO 0.02 0.58 0.64 0.00 -1.93 0.00 0.00 178.83 178.14 1y5k h ALA 128 N 0.85 1.37 -0.70 3.38 0.00 -1.12 0.13 119.26 123.19 1y5k h ALA 128 Ca 0.08 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1y5k h ALA 128 Cb 0.35 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.81 1y5k h ALA 128 CO 0.01 0.45 0.14 0.00 0.00 0.00 0.00 179.25 179.85 1y5k h ALA 129 N 1.44 0.93 -0.29 0.00 0.00 -1.31 -2.41 119.26 117.63 1y5k h ALA 129 Ca 0.43 -0.26 -0.13 0.00 0.00 0.00 0.00 54.91 54.95 1y5k h ALA 129 Cb 0.14 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1y5k h ALA 129 CO -0.17 0.67 -0.34 1.88 0.00 0.00 0.00 179.25 181.30 1y5k h TYR 130 N 1.07 0.75 -0.80 0.00 0.05 -0.72 -2.24 116.97 115.08 1y5k h TYR 130 Ca 0.22 -0.20 -0.02 0.00 0.05 0.00 0.00 58.73 58.78 1y5k h TYR 130 Cb 0.41 -0.17 -0.04 0.00 1.01 0.00 0.00 36.73 37.95 1y5k h TYR 130 CO 0.03 0.89 0.41 1.96 -1.05 0.00 0.00 178.16 180.41 1y5k h GLN 131 N 0.54 1.12 -0.20 4.88 1.08 -0.67 0.42 115.11 122.28 1y5k h GLN 131 Ca 0.06 -0.14 -0.02 0.00 -1.45 0.00 0.00 58.65 57.10 1y5k h GLN 131 Cb 0.84 -0.21 -0.01 0.00 -0.05 0.00 0.00 27.48 28.05 1y5k h GLN 131 CO 0.07 0.84 0.05 0.87 -0.95 0.00 0.00 178.83 179.71 1y5k h LYS 132 N 1.12 0.31 -0.19 1.46 1.57 -0.91 -2.03 116.57 117.90 1y5k h LYS 132 Ca 0.28 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 59.00 1y5k h LYS 132 Cb 0.06 -0.04 -0.02 0.00 0.08 0.00 0.00 32.23 32.31 1y5k h LYS 132 CO -0.04 0.43 0.09 0.28 -0.57 0.00 0.00 179.45 179.63 1y5k h VAL 133 N 0.14 0.99 -0.71 0.50 2.07 -0.84 -1.55 116.25 116.85 1y5k h VAL 133 Ca 0.06 -0.07 -0.02 0.00 0.82 0.00 0.00 66.70 67.49 1y5k h VAL 133 Cb 0.25 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 30.76 1y5k h VAL 133 CO -0.00 0.04 0.35 0.58 0.02 0.00 0.00 177.57 178.55 1y5k h VAL 134 N 0.20 1.22 -0.25 2.57 2.07 -0.96 0.38 116.25 121.48 1y5k h VAL 134 Ca 0.08 -0.62 -0.13 0.00 0.82 0.00 0.00 66.70 66.85 1y5k h VAL 134 Cb 0.02 0.31 -0.01 0.00 -1.52 0.00 0.00 31.29 30.09 1y5k h VAL 134 CO -0.06 0.26 -0.39 0.00 0.02 0.00 0.00 177.57 177.41 1y5k h ALA 135 N 1.38 0.87 -0.31 1.67 0.00 -1.02 -1.36 119.26 120.48 1y5k h ALA 135 Ca 0.25 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.66 1y5k h ALA 135 Cb 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 1y5k h ALA 135 CO -0.03 0.64 -0.05 0.78 0.00 0.00 0.00 179.25 180.58 1y5k h GLY 136 N 1.05 0.63 0.98 0.00 0.00 -0.25 -1.34 103.07 104.14 1y5k h GLY 136 Ca 0.04 -0.51 -0.02 0.00 0.00 0.00 0.00 47.33 46.85 1y5k h GLY 136 CO 0.08 0.47 0.26 -2.08 0.00 0.00 0.00 176.54 175.26 1y5k h VAL 137 N 0.36 1.20 -0.59 4.60 2.07 -0.20 0.58 116.25 124.28 1y5k h VAL 137 Ca 0.08 -0.56 0.01 0.00 0.82 0.00 0.00 66.70 67.05 1y5k h VAL 137 Cb 0.53 0.58 -0.03 0.00 -1.52 0.00 0.00 31.29 30.85 1y5k h VAL 137 CO 0.03 0.22 0.38 0.00 0.02 0.00 0.00 177.57 178.22 1y5k h ALA 138 N 1.10 0.75 -0.67 1.67 0.00 -1.11 0.09 119.26 121.09 1y5k h ALA 138 Ca 0.19 -0.04 -0.03 0.00 0.00 0.00 0.00 54.91 55.03 1y5k h ALA 138 Cb 0.11 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1y5k h ALA 138 CO -0.02 0.16 0.29 -0.91 0.00 0.00 0.00 179.25 178.76 1y5k h ASN 139 N 0.77 0.88 -0.17 0.00 -0.26 -0.72 -1.19 115.58 114.90 1y5k h ASN 139 Ca 0.22 -0.11 -0.19 0.00 -0.56 0.00 0.00 56.30 55.66 1y5k h ASN 139 Cb -0.07 -0.23 0.00 0.00 -1.06 0.00 0.00 38.32 36.97 1y5k h ASN 139 CO -0.06 0.77 -0.61 0.00 -1.06 0.00 0.00 177.43 176.47 1y5k h ALA 140 N 1.36 0.48 0.00 -0.83 0.00 -0.52 -1.81 119.26 117.93 1y5k h ALA 140 Ca 0.23 -0.54 -0.01 0.00 0.00 0.00 0.00 54.91 54.59 1y5k h ALA 140 Cb 0.15 -0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y5k h ALA 140 CO -0.02 0.69 -0.07 -0.07 0.00 0.00 0.00 179.25 179.78 1y5k h LEU 141 N 0.58 0.00 -0.80 0.00 3.38 -0.42 -2.11 115.31 115.94 1y5k h LEU 141 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1y5k h LEU 141 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1y5k h LEU 141 CO 0.13 0.07 -0.41 0.00 0.09 0.00 0.00 178.44 178.31 1y5k n ALA 142 N -2.24 3.42 -0.11 1.53 0.00 -0.50 -4.31 120.51 118.31 1y5k n ALA 142 Ca -0.02 -0.56 0.03 0.00 0.00 0.00 0.00 53.44 52.89 1y5k n ALA 142 Cb 0.19 -0.91 0.35 0.00 0.00 0.00 0.00 19.45 19.08 1y5k n ALA 142 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1y5k h HIS 143 N 1.94 0.71 -0.04 0.00 6.17 -0.61 -2.20 115.15 121.12 1y5k h HIS 143 Ca 0.00 0.02 0.00 0.00 0.71 0.00 0.00 60.37 61.10 1y5k h HIS 143 Cb 0.66 -0.24 0.00 0.00 2.52 0.00 0.00 27.41 30.35 1y5k h HIS 143 CO 0.00 0.43 0.00 1.63 0.71 0.00 0.00 177.93 180.70 1y5k n LYS 144 N -4.46 1.54 -2.21 5.26 4.76 -1.26 -4.89 118.16 116.89 1y5k n LYS 144 Ca 0.06 -0.79 -0.42 0.00 -2.87 0.00 0.00 58.31 54.29 1y5k n LYS 144 Cb 0.08 -1.46 -0.03 0.00 -1.84 0.00 0.00 35.03 31.78 1y5k n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y5k s TYR 145 N -1.96 3.27 0.00 2.13 1.51 -0.83 -4.88 117.35 116.59 1y5k s TYR 145 Ca 0.38 1.05 0.00 0.00 -1.01 0.00 0.00 57.07 57.50 1y5k s TYR 145 Cb 0.20 -3.63 0.00 0.00 -0.11 0.00 0.00 41.96 38.42 1y5k s TYR 145 CO 0.32 -2.13 0.00 -2.39 -1.11 0.00 0.00 175.55 170.24