#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y5k s HIS 2 N 0.00 2.48 -0.21 2.03 5.04 -1.26 -5.00 115.29 118.37 1y5k s HIS 2 Ca 0.00 -0.60 -0.07 0.00 -1.54 0.00 0.00 55.06 52.85 1y5k s HIS 2 Cb 0.00 -4.64 -0.04 0.00 0.04 0.00 0.00 32.58 27.95 1y5k s HIS 2 CO 0.00 -1.95 0.06 -0.51 -2.34 0.00 0.00 174.74 170.00 1y5k s LEU 3 N 5.08 3.61 0.63 8.88 1.02 -1.26 -5.10 118.68 131.54 1y5k s LEU 3 Ca 0.41 -0.06 -0.12 0.00 0.02 0.00 0.00 54.13 54.38 1y5k s LEU 3 Cb -0.04 -1.93 -0.03 0.00 0.02 0.00 0.00 46.19 44.21 1y5k s LEU 3 CO -0.01 0.09 1.04 0.42 0.02 0.00 0.00 176.35 177.91 1y5k s THR 4 N 0.88 4.38 0.43 5.49 -4.23 -1.26 -4.84 115.64 116.49 1y5k s THR 4 Ca 0.03 0.85 0.13 0.00 -1.18 0.00 0.00 61.69 61.52 1y5k s THR 4 Cb -0.14 -3.65 0.18 0.00 1.34 0.00 0.00 72.50 70.23 1y5k s THR 4 CO 0.02 -0.94 1.98 -0.65 -0.54 0.00 0.00 174.62 174.49 1y5k h PRO 5 N -0.23 0.06 -0.08 3.99 0.11 -1.98 -0.11 132.00 133.76 1y5k h PRO 5 Ca -0.45 -0.01 -0.13 0.00 0.11 0.00 0.00 66.00 65.52 1y5k h PRO 5 Cb 1.20 -0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.29 1y5k h PRO 5 CO 0.60 0.23 -0.54 0.93 -0.21 0.00 0.00 178.00 179.00 1y5k h GLU 6 N 0.05 0.22 -0.23 1.05 4.39 -1.99 -1.84 114.58 116.24 1y5k h GLU 6 Ca 0.01 -0.14 -0.20 0.00 0.34 0.00 0.00 59.36 59.38 1y5k h GLU 6 Cb 0.33 0.01 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1y5k h GLU 6 CO 0.02 0.71 -0.63 0.93 -1.16 0.00 0.00 179.01 178.88 1y5k h GLU 7 N 0.17 0.80 -0.34 2.33 5.08 -1.52 -0.87 114.58 120.22 1y5k h GLU 7 Ca 0.00 -0.55 -0.14 0.00 -1.00 0.00 0.00 59.36 57.67 1y5k h GLU 7 Cb 1.01 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 30.33 1y5k h GLU 7 CO 0.08 1.18 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.70 1y5k h LYS 8 N 0.59 0.78 -0.21 2.33 3.64 -1.07 0.50 116.57 123.13 1y5k h LYS 8 Ca -0.01 -0.38 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 1y5k h LYS 8 Cb 1.24 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 33.05 1y5k h LYS 8 CO 0.13 1.01 -0.55 1.03 -2.27 0.00 0.00 179.45 178.80 1y5k h SER 9 N 0.65 0.72 -0.41 4.20 0.87 -1.21 0.48 113.55 118.85 1y5k h SER 9 Ca 0.06 -0.39 -0.12 0.00 -1.23 0.00 0.00 61.79 60.12 1y5k h SER 9 Cb 0.89 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.63 1y5k h SER 9 CO 0.08 1.13 -0.19 0.00 -0.53 0.00 0.00 176.83 177.31 1y5k h ALA 10 N 0.89 0.58 -0.30 6.23 0.00 -0.96 0.16 119.26 125.86 1y5k h ALA 10 Ca 0.01 -0.37 -0.01 0.00 0.00 0.00 0.00 54.91 54.54 1y5k h ALA 10 Cb 1.12 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1y5k h ALA 10 CO 0.11 0.54 0.15 0.28 0.00 0.00 0.00 179.25 180.33 1y5k h VAL 11 N 0.68 1.15 -0.57 0.00 2.07 -0.49 -2.64 116.25 116.45 1y5k h VAL 11 Ca 0.09 -0.42 -0.11 0.00 0.82 0.00 0.00 66.70 67.08 1y5k h VAL 11 Cb 0.75 0.87 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1y5k h VAL 11 CO 0.06 0.15 -0.07 0.74 0.02 0.00 0.00 177.57 178.47 1y5k h THR 12 N 0.36 1.27 0.00 2.57 2.02 -0.89 -2.72 112.91 115.52 1y5k h THR 12 Ca 0.10 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1y5k h THR 12 Cb 0.11 0.91 0.00 0.00 -1.74 0.00 0.00 68.15 67.42 1y5k h THR 12 CO -0.01 0.44 0.00 0.00 0.37 0.00 0.00 175.52 176.32 1y5k n ALA 13 N -2.50 -0.13 -0.33 6.16 0.00 0.57 -2.69 120.51 121.60 1y5k n ALA 13 Ca 0.02 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.60 1y5k n ALA 13 Cb 0.39 0.17 0.28 0.00 0.00 0.00 0.00 19.45 20.29 1y5k n ALA 13 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1y5k n LEU 14 N -1.58 -0.11 0.21 0.00 7.94 -1.03 -1.54 117.00 120.89 1y5k n LEU 14 Ca 0.00 1.61 0.12 0.00 -1.11 0.00 0.00 56.01 56.62 1y5k n LEU 14 Cb 0.00 -0.58 0.69 0.00 0.53 0.00 0.00 43.42 44.06 1y5k n LEU 14 CO 0.00 -1.63 1.10 -0.25 -1.11 0.00 0.00 177.39 175.51 1y5k h TRP 15 N 0.00 0.00 0.00 1.96 2.91 -1.26 -1.27 115.95 118.29 1y5k h TRP 15 Ca 0.57 0.00 0.00 0.00 1.13 0.00 0.00 58.89 60.59 1y5k h TRP 15 Cb 1.18 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.83 1y5k h TRP 15 CO -0.48 0.00 0.00 0.78 -1.03 0.00 0.00 178.44 177.71 1y5k h GLY 16 N 0.00 0.00 -1.20 2.65 0.00 -1.20 -1.79 103.07 101.53 1y5k h GLY 16 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.38 1y5k h GLY 16 CO -0.00 0.00 0.00 0.28 0.00 0.00 0.00 176.54 176.82 1y5k n LYS 17 N -3.03 1.96 -3.21 4.80 5.02 -0.48 -4.93 118.16 118.28 1y5k n LYS 17 Ca -0.01 -1.42 -0.39 0.00 -2.02 0.00 0.00 58.31 54.47 1y5k n LYS 17 Cb 0.18 -1.45 -0.06 0.00 -0.02 0.00 0.00 35.03 33.68 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 -1.80 4.78 -0.47 -0.18 1.01 -0.68 -5.02 120.40 118.04 1y5k s VAL 18 Ca 0.34 1.29 -0.14 0.00 0.00 0.00 0.00 61.98 63.47 1y5k s VAL 18 Cb 0.20 -3.94 0.08 0.00 0.00 0.00 0.00 36.38 32.71 1y5k s VAL 18 CO 0.29 0.49 0.38 0.21 0.00 0.00 0.00 175.10 176.47 1y5k s ASN 19 N -0.68 6.07 0.25 3.32 2.47 -1.26 -4.95 114.94 120.15 1y5k s ASN 19 Ca 0.31 -1.41 -0.01 0.00 0.42 0.00 0.00 52.86 52.17 1y5k s ASN 19 Cb -0.19 -2.15 0.30 0.00 -1.45 0.00 0.00 41.25 37.76 1y5k s ASN 19 CO 0.19 -0.65 1.70 -0.37 -3.72 0.00 0.00 177.10 174.25 1y5k h VAL 20 N 5.82 1.26 -0.25 -5.21 -1.51 -1.95 -1.61 116.25 112.80 1y5k h VAL 20 Ca -0.28 -1.21 0.02 0.00 -1.23 0.00 0.00 66.70 64.01 1y5k h VAL 20 Cb 1.10 1.15 -0.03 0.00 -2.13 0.00 0.00 31.29 31.39 1y5k h VAL 20 CO 0.87 0.40 0.09 0.44 -1.23 0.00 0.00 177.57 178.15 1y5k h ASP 21 N 0.62 0.11 -0.04 4.19 5.19 -1.92 0.12 116.42 124.69 1y5k h ASP 21 Ca 0.10 0.02 -0.02 0.00 -0.62 0.00 0.00 57.03 56.51 1y5k h ASP 21 Cb 0.62 0.01 -0.00 0.00 0.18 0.00 0.00 39.33 40.14 1y5k h ASP 21 CO 0.04 0.10 -0.06 -0.08 -3.12 0.00 0.00 179.24 176.12 1y5k h GLU 22 N 0.21 0.11 -0.33 3.56 4.81 -1.87 -2.49 114.58 118.59 1y5k h GLU 22 Ca 0.11 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.22 1y5k h GLU 22 Cb 0.07 0.01 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 1y5k h GLU 22 CO -0.10 0.61 0.00 0.28 -0.73 0.00 0.00 179.01 179.06 1y5k h VAL 23 N -0.37 1.19 -0.17 0.32 2.07 -1.31 -1.43 116.25 116.56 1y5k h VAL 23 Ca 0.00 -0.76 -0.02 0.00 0.82 0.00 0.00 66.70 66.74 1y5k h VAL 23 Cb 0.59 0.94 -0.01 0.00 -1.52 0.00 0.00 31.29 31.30 1y5k h VAL 23 CO 0.01 0.26 0.01 1.23 0.02 0.00 0.00 177.57 179.10 1y5k h GLY 24 N 0.81 0.31 0.53 2.17 0.00 -0.72 -1.14 103.07 105.03 1y5k h GLY 24 Ca 0.11 -0.22 0.06 0.00 0.00 0.00 0.00 47.33 47.27 1y5k h GLY 24 CO 0.01 0.21 0.07 -1.33 0.00 0.00 0.00 176.54 175.49 1y5k h GLY 25 N 0.05 0.43 1.39 4.60 0.00 -1.16 -1.50 103.07 106.88 1y5k h GLY 25 Ca 0.05 -0.01 -0.04 0.00 0.00 0.00 0.00 47.33 47.32 1y5k h GLY 25 CO 0.01 -0.04 0.16 0.83 0.00 0.00 0.00 176.54 177.50 1y5k h GLU 26 N 0.19 0.77 0.19 4.80 4.39 -1.15 -1.66 114.58 122.10 1y5k h GLU 26 Ca 0.18 -0.13 -0.27 0.00 0.34 0.00 0.00 59.36 59.47 1y5k h GLU 26 Cb 0.21 -0.13 0.02 0.00 -0.10 0.00 0.00 28.75 28.76 1y5k h GLU 26 CO -0.24 0.67 -1.23 0.00 -1.16 0.00 0.00 179.01 177.05 1y5k h ALA 27 N 1.42 -0.06 -0.75 3.43 0.00 -0.89 -0.92 119.26 121.49 1y5k h ALA 27 Ca 0.17 -0.85 -0.05 0.00 0.00 0.00 0.00 54.91 54.19 1y5k h ALA 27 Cb 0.22 0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1y5k h ALA 27 CO -0.01 0.61 0.28 1.25 0.00 0.00 0.00 179.25 181.38 1y5k h LEU 28 N -0.12 1.05 0.18 0.00 5.85 -1.28 -1.35 115.31 119.64 1y5k h LEU 28 Ca -0.23 -0.17 -0.01 0.00 0.84 0.00 0.00 57.88 58.31 1y5k h LEU 28 Cb 1.90 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.66 1y5k h LEU 28 CO 0.19 0.95 -0.09 1.23 -0.34 0.00 0.00 178.44 180.38 1y5k h GLY 29 N 1.13 -0.25 1.79 3.75 0.00 -1.33 -2.54 103.07 105.61 1y5k h GLY 29 Ca 0.25 0.09 0.02 0.00 0.00 0.00 0.00 47.33 47.70 1y5k h GLY 29 CO -0.02 -0.09 0.08 3.21 0.00 0.00 0.00 176.54 179.72 1y5k h ARG 30 N -0.49 0.00 -0.08 4.80 3.08 -1.12 -0.54 114.38 120.03 1y5k h ARG 30 Ca -0.02 0.00 -0.16 0.00 0.07 0.00 0.00 59.98 59.87 1y5k h ARG 30 Cb 0.38 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.42 1y5k h ARG 30 CO 0.04 0.00 -0.64 1.25 -1.07 0.00 0.00 179.97 179.55 1y5k h LEU 31 N 0.00 0.34 -0.56 3.04 5.85 -0.90 -0.81 115.31 122.28 1y5k h LEU 31 Ca 0.04 -0.21 -0.14 0.00 0.84 0.00 0.00 57.88 58.42 1y5k h LEU 31 Cb 0.20 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 1y5k h LEU 31 CO -0.00 0.89 -0.65 -0.07 -0.34 0.00 0.00 178.44 178.27 1y5k h LEU 32 N 0.21 0.00 0.00 2.25 3.38 -0.73 -2.26 115.31 118.17 1y5k h LEU 32 Ca -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 1y5k h LEU 32 Cb 1.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1y5k h LEU 32 CO 0.10 0.65 -0.33 0.58 0.09 0.00 0.00 178.44 179.53 1y5k h VAL 33 N 0.00 0.43 -0.46 1.22 2.07 -1.31 -3.25 116.25 114.94 1y5k h VAL 33 Ca -0.01 -1.39 0.06 0.00 0.82 0.00 0.00 66.70 66.18 1y5k h VAL 33 Cb 1.23 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 31.85 1y5k h VAL 33 CO 0.08 0.14 0.31 0.58 0.02 0.00 0.00 177.57 178.71 1y5k h VAL 34 N -1.00 0.97 -2.06 2.57 2.07 -1.25 -3.29 116.25 114.27 1y5k h VAL 34 Ca -0.05 -0.14 -0.56 0.00 0.82 0.00 0.00 66.70 66.78 1y5k h VAL 34 Cb 0.50 0.54 -0.40 0.00 -1.52 0.00 0.00 31.29 30.42 1y5k h VAL 34 CO -0.03 0.07 -0.99 -1.22 0.02 0.00 0.00 177.57 175.42 1y5k n TYR 35 N -4.48 0.80 0.31 1.57 4.01 -0.85 -4.99 117.16 113.54 1y5k n TYR 35 Ca 0.06 -3.75 0.12 0.00 -0.16 0.00 0.00 57.90 54.17 1y5k n TYR 35 Cb 0.24 -0.41 0.66 0.00 -0.31 0.00 0.00 39.34 39.52 1y5k n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y5k h PRO 36 N 3.83 0.00 0.00 -0.72 0.11 -1.63 0.53 132.00 134.11 1y5k h PRO 36 Ca 0.11 0.00 -0.05 0.00 0.11 0.00 0.00 66.00 66.17 1y5k h PRO 36 Cb 0.83 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.93 1y5k h PRO 36 CO 0.57 0.00 -0.23 0.11 -0.21 0.00 0.00 178.00 178.24 1y5k h TRP 37 N 0.00 0.00 0.00 0.65 0.09 -1.91 -1.40 115.95 113.38 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 0.81 0.00 0.00 0.00 0.08 0.00 0.00 29.16 30.05 1y5k h TRP 37 CO 0.00 0.23 0.00 0.25 0.09 0.00 0.00 178.44 179.01 1y5k n THR 38 N -3.56 0.48 0.50 0.12 -2.24 0.18 -2.39 114.28 107.37 1y5k n THR 38 Ca -0.01 0.12 0.12 0.00 -2.27 0.00 0.00 64.05 62.02 1y5k n THR 38 Cb 0.37 -1.02 0.46 0.00 -2.10 0.00 0.00 70.33 68.04 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 -1.15 0.22 0.18 -0.78 6.02 -0.53 -3.59 117.38 117.75 1y5k n GLN 39 Ca 0.04 0.33 0.19 0.00 -0.01 0.00 0.00 57.00 57.55 1y5k n GLN 39 Cb 0.04 -1.84 0.79 0.00 1.02 0.00 0.00 30.24 30.25 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 -0.00 -1.09 0.11 -1.70 0.04 114.38 111.73 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 0.51 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.59 1y5k h ARG 40 CO 0.00 0.00 -0.33 1.19 0.10 0.00 0.00 179.97 180.93 1y5k n PHE 41 N -3.51 0.00 -1.99 4.08 3.72 -1.24 -4.46 117.46 114.07 1y5k n PHE 41 Ca 0.04 0.00 0.02 0.00 -0.05 0.00 0.00 57.45 57.46 1y5k n PHE 41 Cb 0.50 -0.17 0.12 0.00 -0.94 0.00 0.00 39.48 38.99 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 -0.97 0.36 0.27 1.38 3.72 -0.00 -4.83 117.46 117.39 1y5k n PHE 42 Ca 0.10 -1.31 0.13 0.00 -0.05 0.00 0.00 57.45 56.32 1y5k n PHE 42 Cb 0.34 -0.23 0.78 0.00 -0.94 0.00 0.00 39.48 39.44 1y5k n PHE 42 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 1y5k h GLU 43 N 1.21 0.00 0.00 -1.08 4.11 -1.78 0.79 114.58 117.83 1y5k h GLU 43 Ca -0.04 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1y5k h GLU 43 Cb 1.34 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.59 1y5k h GLU 43 CO 0.12 0.08 0.00 -1.13 0.07 0.00 0.00 179.01 178.15 1y5k n SER 44 N -3.74 0.00 -0.08 3.06 3.41 -1.26 -3.62 113.62 111.38 1y5k n SER 44 Ca -0.02 -0.15 0.15 0.00 -0.26 0.00 0.00 58.87 58.59 1y5k n SER 44 Cb 0.18 -0.27 0.84 0.00 -0.26 0.00 0.00 64.21 64.70 1y5k n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y5k n PHE 45 N -1.27 0.00 -0.51 7.33 3.01 0.27 -5.00 117.46 121.29 1y5k n PHE 45 Ca 0.13 -0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.59 1y5k n PHE 45 Cb 0.21 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.68 1y5k n PHE 45 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y5k n GLY 46 N 1.01 0.73 3.62 1.37 0.00 -1.24 -4.81 105.19 105.86 1y5k n GLY 46 Ca 0.22 -1.18 -0.42 0.00 0.00 0.00 0.00 46.02 44.64 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 6.74 -0.13 1.61 2.15 -1.26 -4.87 116.67 116.90 1y5k s ASP 47 Ca 0.00 0.74 0.15 0.00 0.43 0.00 0.00 52.55 53.88 1y5k s ASP 47 Cb 0.00 -2.45 0.38 0.00 -0.30 0.00 0.00 42.92 40.55 1y5k s ASP 47 CO 0.00 -0.73 1.19 0.18 -0.17 0.00 0.00 175.17 175.63 1y5k n LEU 48 N 6.49 2.06 0.02 -1.34 4.77 -1.26 -4.35 117.00 123.38 1y5k n LEU 48 Ca 0.07 -3.14 0.13 0.00 -0.03 0.00 0.00 56.01 53.03 1y5k n LEU 48 Cb 0.48 -0.35 0.33 0.00 -2.33 0.00 0.00 43.42 41.56 1y5k n LEU 48 CO 0.54 1.02 0.58 -1.54 -1.33 0.00 0.00 177.39 176.66 1y5k n SER 49 N -0.66 0.43 -4.01 -1.43 3.41 -1.26 -4.74 113.62 105.36 1y5k n SER 49 Ca 0.14 0.04 -0.08 0.00 -0.26 0.00 0.00 58.87 58.71 1y5k n SER 49 Cb 0.81 -0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.66 1y5k n SER 49 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1y5k s THR 50 N -3.04 0.17 0.20 6.66 -4.23 -1.26 -5.01 115.64 109.14 1y5k s THR 50 Ca 0.11 -1.43 -0.11 0.00 -1.18 0.00 0.00 61.69 59.08 1y5k s THR 50 Cb 0.17 -1.17 0.14 0.00 1.34 0.00 0.00 72.50 72.99 1y5k s THR 50 CO 0.66 -0.79 1.72 -0.65 -0.54 0.00 0.00 174.62 175.01 1y5k h PRO 51 N 3.44 0.27 -0.45 3.99 0.11 -2.00 -0.79 132.00 136.58 1y5k h PRO 51 Ca -0.33 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.73 1y5k h PRO 51 Cb 1.17 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1y5k h PRO 51 CO 0.57 0.18 0.16 -0.44 -0.21 0.00 0.00 178.00 178.27 1y5k h ASP 52 N 0.28 0.60 -0.01 -2.05 3.32 -1.99 -1.20 116.42 115.37 1y5k h ASP 52 Ca 0.30 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.23 1y5k h ASP 52 Cb 0.41 -0.15 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 1y5k h ASP 52 CO -0.36 0.56 -0.11 0.00 -1.72 0.00 0.00 179.24 177.61 1y5k h ALA 53 N 1.53 1.51 0.01 3.45 0.00 -1.49 -2.39 119.26 121.88 1y5k h ALA 53 Ca 0.16 -0.20 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 1y5k h ALA 53 Cb 0.16 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1y5k h ALA 53 CO -0.01 0.35 -0.00 0.28 0.00 0.00 0.00 179.25 179.86 1y5k h VAL 54 N 0.25 1.01 -0.38 0.00 2.07 -0.87 -2.49 116.25 115.83 1y5k h VAL 54 Ca 0.05 -1.73 0.05 0.00 0.82 0.00 0.00 66.70 65.89 1y5k h VAL 54 Cb 0.35 1.89 -0.02 0.00 -1.52 0.00 0.00 31.29 31.99 1y5k h VAL 54 CO 0.02 0.34 0.26 0.24 0.02 0.00 0.00 177.57 178.44 1y5k h MET 55 N -0.99 0.31 -0.01 1.57 2.07 -1.26 -1.99 114.93 114.62 1y5k h MET 55 Ca -0.00 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.61 1y5k h MET 55 Cb 0.56 -0.07 0.00 0.00 -1.87 0.00 0.00 31.60 30.22 1y5k h MET 55 CO 0.00 0.21 -0.61 0.41 1.07 0.00 0.00 176.91 177.99 1y5k n GLY 56 N -1.52 -0.29 3.68 8.32 0.00 -0.90 -4.82 105.19 109.66 1y5k n GLY 56 Ca 0.04 -0.58 -0.47 0.00 0.00 0.00 0.00 46.02 45.02 1y5k n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y5k n ASN 57 N -0.56 3.51 0.03 1.61 2.85 -0.75 -4.88 115.26 117.07 1y5k n ASN 57 Ca 0.07 0.98 0.01 0.00 -0.11 0.00 0.00 54.58 55.53 1y5k n ASN 57 Cb 0.39 -1.41 0.34 0.00 1.24 0.00 0.00 39.78 40.34 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 8.81 0.44 -0.41 1.20 0.13 -1.90 -1.19 132.00 139.08 1y5k h PRO 58 Ca -0.48 -0.09 -0.09 0.00 -0.87 0.00 0.00 66.00 64.48 1y5k h PRO 58 Cb 1.26 -0.07 -0.02 0.00 0.13 0.00 0.00 31.00 32.31 1y5k h PRO 58 CO 0.94 0.47 -0.10 0.87 -0.23 0.00 0.00 178.00 179.95 1y5k h LYS 59 N 0.43 0.72 -0.39 0.86 1.57 -1.90 -0.28 116.57 117.59 1y5k h LYS 59 Ca 0.10 -0.23 -0.11 0.00 -1.87 0.00 0.00 60.65 58.53 1y5k h LYS 59 Cb 0.28 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.52 1y5k h LYS 59 CO 0.01 0.80 -0.20 0.28 -0.57 0.00 0.00 179.45 179.77 1y5k h VAL 60 N 0.66 1.28 -0.71 0.50 2.07 -1.61 -0.78 116.25 117.65 1y5k h VAL 60 Ca 0.11 -1.34 -0.05 0.00 0.82 0.00 0.00 66.70 66.25 1y5k h VAL 60 Cb 0.56 1.32 -0.03 0.00 -1.52 0.00 0.00 31.29 31.61 1y5k h VAL 60 CO 0.03 0.45 0.27 0.11 0.02 0.00 0.00 177.57 178.45 1y5k h LYS 61 N 0.62 1.08 -0.25 1.57 1.57 -1.00 -1.03 116.57 119.13 1y5k h LYS 61 Ca 0.08 -0.21 -0.18 0.00 -1.87 0.00 0.00 60.65 58.48 1y5k h LYS 61 Cb 0.76 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.90 1y5k h LYS 61 CO 0.06 0.90 -0.55 0.00 -0.57 0.00 0.00 179.45 179.29 1y5k h ALA 62 N 1.13 0.55 -0.18 3.86 0.00 -0.81 -2.69 119.26 121.12 1y5k h ALA 62 Ca 0.24 -0.51 -0.07 0.00 0.00 0.00 0.00 54.91 54.56 1y5k h ALA 62 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1y5k h ALA 62 CO -0.02 0.68 -0.19 1.25 0.00 0.00 0.00 179.25 180.98 1y5k h HIS 63 N 0.58 0.33 -0.39 0.00 -0.00 -1.03 -2.55 115.15 112.09 1y5k h HIS 63 Ca 0.01 -0.05 -0.07 0.00 -0.00 0.00 0.00 60.37 60.26 1y5k h HIS 63 Cb 1.13 -0.09 -0.01 0.00 -0.00 0.00 0.00 27.41 28.44 1y5k h HIS 63 CO 0.06 0.49 -0.03 0.78 -0.00 0.00 0.00 177.93 179.22 1y5k h GLY 64 N 0.90 0.77 1.16 5.26 0.00 -0.97 0.12 103.07 110.31 1y5k h GLY 64 Ca 0.05 -0.59 -0.01 0.00 0.00 0.00 0.00 47.33 46.78 1y5k h GLY 64 CO 0.03 0.54 0.48 1.70 0.00 0.00 0.00 176.54 179.30 1y5k h LYS 65 N 0.53 1.11 0.07 4.80 3.64 -1.40 -1.23 116.57 124.08 1y5k h LYS 65 Ca 0.11 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1y5k h LYS 65 Cb 0.52 -0.23 0.00 0.00 -0.41 0.00 0.00 32.23 32.11 1y5k h LYS 65 CO 0.03 0.78 -0.03 -0.22 -2.27 0.00 0.00 179.45 177.73 1y5k h LYS 66 N 1.12 -0.09 -0.65 1.90 3.64 -1.04 -0.71 116.57 120.75 1y5k h LYS 66 Ca 0.29 0.01 0.08 0.00 -1.27 0.00 0.00 60.65 59.76 1y5k h LYS 66 Cb -0.04 0.02 -0.06 0.00 -0.41 0.00 0.00 32.23 31.74 1y5k h LYS 66 CO -0.05 0.30 0.31 0.28 -2.27 0.00 0.00 179.45 178.02 1y5k h VAL 67 N -0.49 0.86 0.00 2.00 2.07 -0.79 -1.33 116.25 118.57 1y5k h VAL 67 Ca -0.01 -0.19 -0.10 0.00 0.82 0.00 0.00 66.70 67.22 1y5k h VAL 67 Cb 0.43 0.27 -0.01 0.00 -1.52 0.00 0.00 31.29 30.45 1y5k h VAL 67 CO 0.02 0.10 -0.49 -0.07 0.02 0.00 0.00 177.57 177.15 1y5k h LEU 68 N 0.55 0.00 -0.24 2.57 3.38 -1.15 -2.43 115.31 117.98 1y5k h LEU 68 Ca 0.31 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.26 1y5k h LEU 68 Cb 0.30 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 1y5k h LEU 68 CO -0.25 0.49 0.08 1.23 0.09 0.00 0.00 178.44 180.08 1y5k h GLY 69 N 2.64 0.41 1.65 0.83 0.00 0.02 0.24 103.07 108.85 1y5k h GLY 69 Ca -0.00 -0.24 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1y5k h GLY 69 CO 0.06 0.23 0.08 0.00 0.00 0.00 0.00 176.54 176.91 1y5k h ALA 70 N 0.90 1.55 -0.23 3.60 0.00 -1.29 -1.90 119.26 121.90 1y5k h ALA 70 Ca 0.08 -0.13 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 1y5k h ALA 70 Cb 0.24 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 1y5k h ALA 70 CO -0.00 0.34 0.11 0.35 0.00 0.00 0.00 179.25 180.04 1y5k h PHE 71 N 0.45 0.33 -0.05 0.00 3.04 -0.81 -1.90 116.94 118.00 1y5k h PHE 71 Ca 0.11 -0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.08 1y5k h PHE 71 Cb 0.17 -0.10 -0.05 0.00 2.56 0.00 0.00 35.95 38.53 1y5k h PHE 71 CO 0.01 0.33 -0.30 0.77 -2.02 0.00 0.00 178.31 177.09 1y5k h SER 72 N 0.23 -0.91 -0.98 0.41 0.02 -0.45 0.74 113.55 112.61 1y5k h SER 72 Ca 0.08 0.13 0.17 0.00 -0.84 0.00 0.00 61.79 61.33 1y5k h SER 72 Cb 0.12 0.38 -0.10 0.00 0.14 0.00 0.00 62.40 62.94 1y5k h SER 72 CO -0.01 -0.36 0.59 0.44 -1.14 0.00 0.00 176.83 176.35 1y5k h ASP 73 N -0.42 0.78 -0.56 3.07 5.19 -1.33 1.40 116.42 124.55 1y5k h ASP 73 Ca 0.07 0.09 0.11 0.00 -0.62 0.00 0.00 57.03 56.68 1y5k h ASP 73 Cb 0.53 -0.05 -0.03 0.00 0.18 0.00 0.00 39.33 39.96 1y5k h ASP 73 CO -0.29 0.31 0.38 1.23 -3.12 0.00 0.00 179.24 177.75 1y5k h GLY 74 N 0.79 0.43 2.00 2.75 0.00 -0.04 -2.13 103.07 106.86 1y5k h GLY 74 Ca 0.55 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 47.76 1y5k h GLY 74 CO -0.36 0.07 0.00 1.04 0.00 0.00 0.00 176.54 177.29 1y5k n LEU 75 N -4.46 0.42 -0.08 3.11 4.77 0.48 -1.82 117.00 119.43 1y5k n LEU 75 Ca 0.09 0.58 0.14 0.00 -0.03 0.00 0.00 56.01 56.79 1y5k n LEU 75 Cb 0.42 -0.49 0.56 0.00 -2.33 0.00 0.00 43.42 41.57 1y5k n LEU 75 CO 0.34 -0.32 0.82 0.00 -1.33 0.00 0.00 177.39 176.91 1y5k n ALA 76 N -1.66 2.80 -2.55 -1.18 0.00 -0.80 -4.21 120.51 112.91 1y5k n ALA 76 Ca 0.04 -0.25 -0.11 0.00 0.00 0.00 0.00 53.44 53.12 1y5k n ALA 76 Cb 0.27 -1.32 0.03 0.00 0.00 0.00 0.00 19.45 18.43 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 -1.12 1.88 0.22 0.00 8.25 -0.76 -4.90 115.22 118.79 1y5k n HIS 77 Ca 0.12 -2.39 0.08 0.00 -0.26 0.00 0.00 57.72 55.27 1y5k n HIS 77 Cb 0.30 -0.27 0.43 0.00 1.12 0.00 0.00 29.99 31.57 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 2.56 0.00 0.00 2.41 3.38 -1.73 0.23 115.31 122.17 1y5k h LEU 78 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1y5k h LEU 78 Cb 1.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1y5k h LEU 78 CO 0.47 0.00 -0.94 0.47 0.09 0.00 0.00 178.44 178.53 1y5k n ASP 79 N -2.29 0.70 -3.00 -0.43 8.00 -1.26 -4.45 116.55 113.83 1y5k n ASP 79 Ca -0.01 -0.51 -0.15 0.00 0.71 0.00 0.00 54.79 54.84 1y5k n ASP 79 Cb 0.42 0.81 -0.00 0.00 -0.02 0.00 0.00 41.12 42.32 1y5k n ASP 79 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 1y5k n ASN 80 N -1.69 0.88 0.03 -2.24 5.15 0.79 -4.93 115.26 113.25 1y5k n ASN 80 Ca 0.03 -2.93 -0.11 0.00 -0.60 0.00 0.00 54.58 50.97 1y5k n ASN 80 Cb 0.38 -0.48 -0.06 0.00 -0.53 0.00 0.00 39.78 39.09 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 2.98 -0.06 -0.20 1.20 3.38 -1.75 -0.70 115.31 120.18 1y5k h LEU 81 Ca 0.02 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.05 1y5k h LEU 81 Cb 1.05 0.03 -0.04 0.00 0.09 0.00 0.00 40.66 41.79 1y5k h LEU 81 CO 0.48 -0.03 -0.07 0.11 0.09 0.00 0.00 178.44 179.03 1y5k h LYS 82 N -0.02 -0.03 -0.25 1.13 1.57 -1.91 -0.66 116.57 116.40 1y5k h LYS 82 Ca 0.02 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1y5k h LYS 82 Cb 0.05 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.35 1y5k h LYS 82 CO -0.04 -0.02 0.12 0.78 -0.57 0.00 0.00 179.45 179.73 1y5k h GLY 83 N -0.03 0.39 0.49 3.86 0.00 -1.94 -1.27 103.07 104.57 1y5k h GLY 83 Ca 0.10 -0.19 0.13 0.00 0.00 0.00 0.00 47.33 47.37 1y5k h GLY 83 CO -0.22 0.18 0.60 -0.84 0.00 0.00 0.00 176.54 176.26 1y5k h THR 84 N 0.28 0.87 -0.10 4.70 2.02 -0.55 -2.73 112.91 117.40 1y5k h THR 84 Ca 0.09 -0.28 0.00 0.00 0.77 0.00 0.00 66.41 66.98 1y5k h THR 84 Cb 0.11 -0.03 0.00 0.00 -1.74 0.00 0.00 68.15 66.49 1y5k h THR 84 CO -0.01 0.15 0.00 0.49 0.37 0.00 0.00 175.52 176.52 1y5k n PHE 85 N -4.59 0.11 -0.22 3.16 3.72 -0.31 -4.63 117.46 114.69 1y5k n PHE 85 Ca 0.18 -0.06 0.01 0.00 -0.05 0.00 0.00 57.45 57.53 1y5k n PHE 85 Cb 0.42 -0.00 0.09 0.00 -0.94 0.00 0.00 39.48 39.06 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 4.24 0.55 -0.31 4.37 0.00 -0.91 0.68 119.26 127.87 1y5k h ALA 86 Ca 0.00 0.23 -0.16 0.00 0.00 0.00 0.00 54.91 54.98 1y5k h ALA 86 Cb 0.91 0.43 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 1y5k h ALA 86 CO 0.00 -0.42 -0.45 1.79 0.00 0.00 0.00 179.25 180.18 1y5k h THR 87 N 0.05 1.28 -0.84 0.00 1.35 -1.82 -2.07 112.91 110.87 1y5k h THR 87 Ca 0.33 -1.63 -0.01 0.00 -0.55 0.00 0.00 66.41 64.55 1y5k h THR 87 Cb 0.54 1.52 -0.04 0.00 -1.73 0.00 0.00 68.15 68.44 1y5k h THR 87 CO -0.63 0.53 0.49 -0.07 -0.25 0.00 0.00 175.52 175.59 1y5k h LEU 88 N 0.64 1.02 -0.33 3.87 4.07 -1.70 -1.81 115.31 121.07 1y5k h LEU 88 Ca 0.04 -0.08 -0.01 0.00 0.08 0.00 0.00 57.88 57.91 1y5k h LEU 88 Cb 1.02 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 42.48 1y5k h LEU 88 CO 0.10 0.80 0.17 -1.28 -1.08 0.00 0.00 178.44 177.15 1y5k h SER 89 N 1.16 0.42 -0.43 -0.43 0.87 -0.61 0.12 113.55 114.65 1y5k h SER 89 Ca 0.30 -0.11 0.03 0.00 -1.23 0.00 0.00 61.79 60.78 1y5k h SER 89 Cb -0.01 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 1y5k h SER 89 CO -0.05 0.41 0.22 -0.33 -0.53 0.00 0.00 176.83 176.54 1y5k h GLU 90 N 0.40 0.42 -0.41 2.24 5.08 -1.31 -1.85 114.58 119.16 1y5k h GLU 90 Ca 0.11 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.44 1y5k h GLU 90 Cb 0.09 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1y5k h GLU 90 CO -0.02 0.28 0.21 1.25 -1.00 0.00 0.00 179.01 179.73 1y5k h LEU 91 N 0.44 0.53 -1.10 1.33 5.85 -0.47 -0.19 115.31 121.71 1y5k h LEU 91 Ca 0.18 -0.11 -0.07 0.00 0.84 0.00 0.00 57.88 58.72 1y5k h LEU 91 Cb 0.09 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 40.97 1y5k h LEU 91 CO -0.13 0.49 -0.11 0.45 -0.34 0.00 0.00 178.44 178.80 1y5k h HIS 92 N 0.53 0.54 0.03 1.25 3.86 -0.55 -0.37 115.15 120.44 1y5k h HIS 92 Ca 0.14 -0.08 -0.05 0.00 -1.16 0.00 0.00 60.37 59.22 1y5k h HIS 92 Cb 0.09 -0.15 0.01 0.00 1.06 0.00 0.00 27.41 28.42 1y5k h HIS 92 CO -0.02 0.61 -0.21 0.00 0.86 0.00 0.00 177.93 179.17 1y5k n ASP 94 N -4.49 0.74 -0.10 0.00 8.00 -0.09 -3.25 116.55 117.35 1y5k n ASP 94 Ca -0.11 -0.51 -0.13 0.00 0.71 0.00 0.00 54.79 54.75 1y5k n ASP 94 Cb 0.56 1.41 -0.10 0.00 -0.02 0.00 0.00 41.12 42.97 1y5k n ASP 94 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 1y5k n LYS 95 N -1.78 0.63 -0.01 -1.24 4.01 -0.18 -4.70 118.16 114.89 1y5k n LYS 95 Ca 0.00 0.10 0.10 0.00 -0.51 0.00 0.00 58.31 58.01 1y5k n LYS 95 Cb 0.39 -1.41 -0.15 0.00 -0.51 0.00 0.00 35.03 33.35 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 -3.03 0.23 -3.63 -0.35 4.77 -0.99 -4.99 117.00 109.01 1y5k n LEU 96 Ca -0.35 -0.12 -0.24 0.00 -0.03 0.00 0.00 56.01 55.27 1y5k n LEU 96 Cb 0.90 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 42.06 1y5k n LEU 96 CO 0.22 0.06 0.20 1.41 -1.33 0.00 0.00 177.39 177.95 1y5k n HIS 97 N -2.04 -2.67 -3.10 -1.77 8.25 0.03 -4.93 115.22 108.98 1y5k n HIS 97 Ca -0.02 0.98 -0.41 0.00 -0.26 0.00 0.00 57.72 58.01 1y5k n HIS 97 Cb 0.49 -4.85 -0.06 0.00 1.12 0.00 0.00 29.99 26.68 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 -3.34 4.92 0.23 1.59 1.01 0.54 -4.99 120.40 120.36 1y5k s VAL 98 Ca 0.50 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.99 1y5k s VAL 98 Cb -0.23 -4.02 -0.11 0.00 0.00 0.00 0.00 36.38 32.02 1y5k s VAL 98 CO 0.75 -0.18 1.58 0.00 0.00 0.00 0.00 175.10 177.25 1y5k s ALA 99 N 2.65 3.77 0.58 5.51 0.00 -1.26 -4.66 121.76 128.36 1y5k s ALA 99 Ca 0.25 1.47 0.28 0.00 0.00 0.00 0.00 51.96 53.97 1y5k s ALA 99 Cb -0.15 -3.63 1.51 0.00 0.00 0.00 0.00 23.12 20.85 1y5k s ALA 99 CO 0.12 -0.86 1.95 -1.35 0.00 0.00 0.00 175.76 175.62 1y5k h PRO 100 N 5.85 0.00 -0.43 0.00 0.11 -1.97 -1.39 132.00 134.18 1y5k h PRO 100 Ca -0.45 0.00 0.12 0.00 0.11 0.00 0.00 66.00 65.79 1y5k h PRO 100 Cb 1.21 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.30 1y5k h PRO 100 CO 0.86 0.00 0.31 1.05 -0.21 0.00 0.00 178.00 180.01 1y5k h GLU 101 N 0.00 0.00 -0.55 1.05 9.09 -1.99 -0.78 114.58 121.41 1y5k h GLU 101 Ca 0.20 0.00 0.04 0.00 0.05 0.00 0.00 59.36 59.65 1y5k h GLU 101 Cb 1.03 0.00 -0.03 0.00 -1.65 0.00 0.00 28.75 28.10 1y5k h GLU 101 CO -0.00 0.00 0.36 -0.91 0.05 0.00 0.00 179.01 178.51 1y5k h ASN 102 N 0.00 0.51 -0.44 3.06 4.21 -1.62 -1.92 115.58 119.39 1y5k h ASN 102 Ca 0.20 -0.00 -0.09 0.00 1.21 0.00 0.00 56.30 57.62 1y5k h ASN 102 Cb 0.82 -0.12 -0.02 0.00 -1.12 0.00 0.00 38.32 37.88 1y5k h ASN 102 CO -0.00 0.35 -0.04 -0.26 -1.29 0.00 0.00 177.43 176.19 1y5k h PHE 103 N 0.60 0.94 -0.40 1.19 0.04 -1.34 -1.16 116.94 116.80 1y5k h PHE 103 Ca 0.22 -0.15 -0.13 0.00 2.80 0.00 0.00 57.97 60.71 1y5k h PHE 103 Cb 0.15 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.04 1y5k h PHE 103 CO -0.00 0.87 -0.26 0.00 -0.60 0.00 0.00 178.31 178.32 1y5k h ARG 104 N 0.79 0.88 -0.04 1.51 3.08 -1.40 -1.11 114.38 118.10 1y5k h ARG 104 Ca 0.14 -0.41 0.02 0.00 0.07 0.00 0.00 59.98 59.80 1y5k h ARG 104 Cb 0.53 -0.01 -0.03 0.00 0.08 0.00 0.00 29.97 30.54 1y5k h ARG 104 CO 0.03 1.06 -0.10 -0.07 -1.07 0.00 0.00 179.97 179.82 1y5k h LEU 105 N 0.70 -0.30 -0.94 3.04 3.38 -1.23 -1.80 115.31 118.16 1y5k h LEU 105 Ca 0.08 0.05 0.04 0.00 0.09 0.00 0.00 57.88 58.14 1y5k h LEU 105 Cb 0.83 0.14 -0.06 0.00 0.09 0.00 0.00 40.66 41.67 1y5k h LEU 105 CO 0.07 -0.14 0.61 0.25 0.09 0.00 0.00 178.44 179.32 1y5k h LEU 106 N -0.15 1.02 -0.36 1.67 5.85 -1.15 -1.09 115.31 121.10 1y5k h LEU 106 Ca 0.05 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.78 1y5k h LEU 106 Cb 0.22 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1y5k h LEU 106 CO -0.13 0.70 0.19 1.23 -0.34 0.00 0.00 178.44 180.09 1y5k h GLY 107 N 1.19 0.49 1.21 3.75 0.00 -0.81 0.18 103.07 109.08 1y5k h GLY 107 Ca 0.37 -0.14 -0.04 0.00 0.00 0.00 0.00 47.33 47.53 1y5k h GLY 107 CO -0.12 0.11 0.29 3.43 0.00 0.00 0.00 176.54 180.25 1y5k h ASN 108 N 0.39 0.92 -0.40 0.19 2.35 -0.86 0.82 115.58 118.99 1y5k h ASN 108 Ca 0.15 -0.12 -0.09 0.00 -0.55 0.00 0.00 56.30 55.68 1y5k h ASN 108 Cb 0.03 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 1y5k h ASN 108 CO -0.09 0.81 -0.11 0.58 -1.65 0.00 0.00 177.43 176.98 1y5k h VAL 109 N 0.99 1.28 -0.82 2.81 2.07 -0.79 -2.58 116.25 119.21 1y5k h VAL 109 Ca 0.23 -1.20 0.06 0.00 0.82 0.00 0.00 66.70 66.62 1y5k h VAL 109 Cb 0.17 1.24 -0.05 0.00 -1.52 0.00 0.00 31.29 31.12 1y5k h VAL 109 CO -0.02 0.40 0.54 0.25 0.02 0.00 0.00 177.57 178.75 1y5k h LEU 110 N 0.58 0.79 -0.47 2.57 5.85 0.49 0.47 115.31 125.59 1y5k h LEU 110 Ca 0.10 0.01 -0.04 0.00 0.84 0.00 0.00 57.88 58.79 1y5k h LEU 110 Cb 0.63 -0.16 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1y5k h LEU 110 CO 0.04 0.51 0.14 0.58 -0.34 0.00 0.00 178.44 179.37 1y5k h VAL 111 N 0.90 1.23 -0.13 1.05 2.07 -0.50 -1.15 116.25 119.71 1y5k h VAL 111 Ca 0.35 -0.76 -0.09 0.00 0.82 0.00 0.00 66.70 67.02 1y5k h VAL 111 Cb 0.23 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 1y5k h VAL 111 CO -0.13 0.28 -0.33 0.00 0.02 0.00 0.00 177.57 177.41 1y5k h VAL 113 N 0.22 1.26 -0.68 0.00 2.07 -0.20 0.77 116.25 119.69 1y5k h VAL 113 Ca 0.03 -1.02 0.03 0.00 0.82 0.00 0.00 66.70 66.55 1y5k h VAL 113 Cb 0.70 0.66 -0.04 0.00 -1.52 0.00 0.00 31.29 31.09 1y5k h VAL 113 CO 0.05 0.38 0.43 -0.07 0.02 0.00 0.00 177.57 178.39 1y5k h LEU 114 N 1.00 0.71 -0.68 2.57 3.38 -1.05 -1.28 115.31 119.96 1y5k h LEU 114 Ca 0.20 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y5k h LEU 114 Cb 0.43 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.99 1y5k h LEU 114 CO 0.01 0.50 0.41 0.00 0.09 0.00 0.00 178.44 179.45 1y5k h ALA 115 N 1.28 0.87 -0.07 1.53 0.00 -0.88 -0.10 119.26 121.90 1y5k h ALA 115 Ca 0.27 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 1y5k h ALA 115 Cb -0.00 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.51 1y5k h ALA 115 CO -0.10 0.35 0.04 1.25 0.00 0.00 0.00 179.25 180.79 1y5k h HIS 116 N 0.93 0.10 -0.34 0.00 -0.00 -0.37 -2.35 115.15 113.12 1y5k h HIS 116 Ca 0.24 -0.00 -0.09 0.00 -0.00 0.00 0.00 60.37 60.53 1y5k h HIS 116 Cb -0.03 -0.03 -0.02 0.00 -0.00 0.00 0.00 27.41 27.34 1y5k h HIS 116 CO -0.01 0.14 -0.14 0.45 -0.00 0.00 0.00 177.93 178.36 1y5k h HIS 117 N 0.03 0.66 -0.01 5.26 -0.00 -0.76 -3.36 115.15 116.97 1y5k h HIS 117 Ca 0.03 -0.12 0.00 0.00 -0.00 0.00 0.00 60.37 60.28 1y5k h HIS 117 Cb 0.07 -0.17 0.00 0.00 -0.00 0.00 0.00 27.41 27.31 1y5k h HIS 117 CO -0.05 0.72 -0.07 1.19 -0.00 0.00 0.00 177.93 179.72 1y5k n PHE 118 N -4.17 0.00 0.00 2.45 3.72 -0.09 -5.06 117.46 114.31 1y5k n PHE 118 Ca 0.01 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.41 1y5k n PHE 118 Cb 0.36 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.90 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 0.82 2.92 0.36 1.37 0.00 -0.89 -2.04 105.19 107.73 1y5k n GLY 119 Ca 0.07 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.26 1y5k n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y5k h LYS 120 N 0.00 0.68 0.00 1.61 -0.00 -1.97 -1.50 116.57 115.39 1y5k h LYS 120 Ca 0.00 -0.04 0.00 0.00 -0.00 0.00 0.00 60.65 60.61 1y5k h LYS 120 Cb 0.00 -0.15 0.00 0.00 -0.00 0.00 0.00 32.23 32.08 1y5k h LYS 120 CO 0.00 0.45 0.09 1.49 -0.00 0.00 0.00 179.45 181.48 1y5k h GLU 121 N 0.70 0.00 -3.23 0.07 4.81 -1.82 -2.97 114.58 112.14 1y5k h GLU 121 Ca 0.58 0.00 -0.78 0.00 -0.13 0.00 0.00 59.36 59.03 1y5k h GLU 121 Cb 1.00 0.00 -0.21 0.00 0.63 0.00 0.00 28.75 30.16 1y5k h GLU 121 CO -0.38 0.00 1.44 0.34 -0.73 0.00 0.00 179.01 179.68 1y5k n PHE 122 N -2.52 2.62 -1.25 0.92 7.35 -0.57 -4.90 117.46 119.11 1y5k n PHE 122 Ca -0.02 -2.69 -0.32 0.00 -0.76 0.00 0.00 57.45 53.67 1y5k n PHE 122 Cb 0.13 -1.62 0.10 0.00 0.35 0.00 0.00 39.48 38.44 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 -1.12 3.00 0.24 -2.13 -4.23 -1.13 -4.71 115.64 105.56 1y5k s THR 123 Ca 0.35 0.36 -0.05 0.00 -1.18 0.00 0.00 61.69 61.17 1y5k s THR 123 Cb 0.07 -2.77 0.20 0.00 1.34 0.00 0.00 72.50 71.34 1y5k s THR 123 CO 0.05 -0.39 1.76 -0.65 -0.54 0.00 0.00 174.62 174.85 1y5k h PRO 124 N -1.02 0.52 -0.46 3.99 0.11 -1.93 0.16 132.00 133.37 1y5k h PRO 124 Ca -0.44 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.61 1y5k h PRO 124 Cb 1.25 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1y5k h PRO 124 CO 0.50 0.34 0.19 -1.35 -0.21 0.00 0.00 178.00 177.48 1y5k h PRO 125 N 0.54 0.65 -0.26 1.05 0.11 -1.99 -1.20 132.00 130.89 1y5k h PRO 125 Ca 0.38 -0.08 -0.16 0.00 0.11 0.00 0.00 66.00 66.25 1y5k h PRO 125 Cb 0.50 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.48 1y5k h PRO 125 CO -0.33 0.53 -0.44 0.28 -0.21 0.00 0.00 178.00 177.82 1y5k h VAL 126 N 0.65 1.30 -0.12 3.15 2.07 -1.41 -2.87 116.25 119.01 1y5k h VAL 126 Ca 0.16 -1.64 0.04 0.00 0.82 0.00 0.00 66.70 66.08 1y5k h VAL 126 Cb 0.11 1.69 -0.05 0.00 -1.52 0.00 0.00 31.29 31.52 1y5k h VAL 126 CO -0.02 0.53 -0.21 -0.61 0.02 0.00 0.00 177.57 177.28 1y5k h GLN 127 N 0.51 -0.26 -0.82 1.57 4.15 -0.32 -2.14 115.11 117.80 1y5k h GLN 127 Ca 0.02 0.02 0.13 0.00 0.77 0.00 0.00 58.65 59.59 1y5k h GLN 127 Cb 1.05 0.06 -0.06 0.00 0.21 0.00 0.00 27.48 28.73 1y5k h GLN 127 CO 0.10 -0.17 0.54 0.00 -1.93 0.00 0.00 178.83 177.37 1y5k h ALA 128 N 0.72 1.91 -0.07 3.38 0.00 -1.14 0.11 119.26 124.16 1y5k h ALA 128 Ca 0.10 0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.80 1y5k h ALA 128 Cb 0.41 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1y5k h ALA 128 CO -0.28 -0.12 -0.81 0.00 0.00 0.00 0.00 179.25 178.05 1y5k h ALA 129 N 1.61 0.45 -0.06 0.00 0.00 -1.18 -2.79 119.26 117.29 1y5k h ALA 129 Ca 0.40 -0.63 -0.06 0.00 0.00 0.00 0.00 54.91 54.62 1y5k h ALA 129 Cb 0.70 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.45 1y5k h ALA 129 CO -0.16 0.75 -0.22 1.88 0.00 0.00 0.00 179.25 181.50 1y5k h TYR 130 N 0.34 0.11 -0.31 0.00 0.05 -0.56 -1.59 116.97 115.00 1y5k h TYR 130 Ca -0.05 -0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.57 1y5k h TYR 130 Cb 1.42 -0.03 -0.00 0.00 1.01 0.00 0.00 36.73 39.12 1y5k h TYR 130 CO 0.06 0.32 -0.37 1.96 -1.05 0.00 0.00 178.16 179.09 1y5k h GLN 131 N 0.10 0.80 -0.72 4.88 1.08 -0.72 0.84 115.11 121.38 1y5k h GLN 131 Ca 0.02 -0.44 -0.05 0.00 -1.45 0.00 0.00 58.65 56.72 1y5k h GLN 131 Cb 0.45 0.03 -0.03 0.00 -0.05 0.00 0.00 27.48 27.88 1y5k h GLN 131 CO 0.03 1.08 0.24 0.87 -0.95 0.00 0.00 178.83 180.10 1y5k h LYS 132 N 0.58 1.09 -0.39 1.46 1.57 -1.25 -1.83 116.57 117.79 1y5k h LYS 132 Ca 0.04 -0.21 -0.09 0.00 -1.87 0.00 0.00 60.65 58.52 1y5k h LYS 132 Cb 0.95 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1y5k h LYS 132 CO 0.09 0.91 -0.11 0.28 -0.57 0.00 0.00 179.45 180.05 1y5k h VAL 133 N 1.05 1.28 -0.11 0.50 2.07 -0.98 -1.72 116.25 118.35 1y5k h VAL 133 Ca 0.24 -1.20 -0.10 0.00 0.82 0.00 0.00 66.70 66.45 1y5k h VAL 133 Cb 0.26 1.25 -0.01 0.00 -1.52 0.00 0.00 31.29 31.27 1y5k h VAL 133 CO -0.01 0.40 -0.38 -0.37 0.02 0.00 0.00 177.57 177.23 1y5k h VAL 134 N 0.56 1.30 -0.44 2.57 -1.51 -0.73 -2.36 116.25 115.64 1y5k h VAL 134 Ca 0.10 -1.44 -0.08 0.00 -1.23 0.00 0.00 66.70 64.05 1y5k h VAL 134 Cb 0.64 1.64 -0.02 0.00 -2.13 0.00 0.00 31.29 31.42 1y5k h VAL 134 CO 0.04 0.43 -0.03 0.00 -1.23 0.00 0.00 177.57 176.78 1y5k h ALA 135 N 1.42 0.60 -0.46 5.19 0.00 -1.11 0.48 119.26 125.38 1y5k h ALA 135 Ca 0.02 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.54 1y5k h ALA 135 Cb 0.76 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 18.38 1y5k h ALA 135 CO 0.06 0.42 -0.13 0.78 0.00 0.00 0.00 179.25 180.38 1y5k h GLY 136 N 0.64 0.93 1.11 0.00 0.00 -1.12 -0.60 103.07 104.03 1y5k h GLY 136 Ca 0.12 -0.73 -0.13 0.00 0.00 0.00 0.00 47.33 46.59 1y5k h GLY 136 CO 0.03 0.67 -0.20 -2.08 0.00 0.00 0.00 176.54 174.96 1y5k h VAL 137 N 0.76 1.27 -0.52 4.60 2.07 -1.30 0.23 116.25 123.36 1y5k h VAL 137 Ca 0.12 -1.37 -0.01 0.00 0.82 0.00 0.00 66.70 66.26 1y5k h VAL 137 Cb 0.65 1.10 -0.02 0.00 -1.52 0.00 0.00 31.29 31.50 1y5k h VAL 137 CO 0.05 0.47 0.28 0.00 0.02 0.00 0.00 177.57 178.39 1y5k h ALA 138 N 0.88 0.67 -0.56 1.67 0.00 -0.52 -1.15 119.26 120.25 1y5k h ALA 138 Ca 0.11 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 1y5k h ALA 138 Cb 0.78 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1y5k h ALA 138 CO 0.06 0.20 0.11 -0.91 0.00 0.00 0.00 179.25 178.71 1y5k h ASN 139 N 0.70 0.83 0.13 0.00 2.35 -0.80 -2.10 115.58 116.69 1y5k h ASN 139 Ca 0.18 -0.16 -0.12 0.00 -0.55 0.00 0.00 56.30 55.65 1y5k h ASN 139 Cb 0.06 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.20 1y5k h ASN 139 CO -0.03 0.83 -0.40 0.00 -1.65 0.00 0.00 177.43 176.17 1y5k h ALA 140 N 1.28 1.02 0.00 -0.83 0.00 -0.09 -2.16 119.26 118.48 1y5k h ALA 140 Ca 0.18 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.66 1y5k h ALA 140 Cb 0.35 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.04 1y5k h ALA 140 CO 0.00 0.61 -0.05 -0.07 0.00 0.00 0.00 179.25 179.75 1y5k h LEU 141 N 0.30 0.00 -0.65 0.00 3.38 -0.76 -3.00 115.31 114.57 1y5k h LEU 141 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1y5k h LEU 141 Cb 0.84 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.59 1y5k h LEU 141 CO 0.07 0.05 -0.54 0.00 0.09 0.00 0.00 178.44 178.10 1y5k n ALA 142 N -2.12 3.71 0.24 1.53 0.00 -0.83 -4.35 120.51 118.70 1y5k n ALA 142 Ca 0.01 -0.57 0.13 0.00 0.00 0.00 0.00 53.44 53.01 1y5k n ALA 142 Cb 0.39 -0.87 0.50 0.00 0.00 0.00 0.00 19.45 19.47 1y5k n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y5k h HIS 143 N 1.59 0.00 -0.32 0.00 2.07 -1.26 -0.71 115.15 116.52 1y5k h HIS 143 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1y5k h HIS 143 Cb 0.64 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.62 1y5k h HIS 143 CO 0.00 0.10 0.00 1.63 -3.07 0.00 0.00 177.93 176.59 1y5k n LYS 144 N -3.21 1.98 -2.54 5.12 4.76 -1.26 -4.92 118.16 118.10 1y5k n LYS 144 Ca 0.01 -1.50 -0.41 0.00 -2.87 0.00 0.00 58.31 53.53 1y5k n LYS 144 Cb 0.40 -1.39 -0.04 0.00 -1.84 0.00 0.00 35.03 32.16 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 -1.57 3.58 0.00 2.13 1.51 -0.27 -4.85 117.35 117.87 1y5k s TYR 145 Ca 0.32 1.55 0.00 0.00 -1.01 0.00 0.00 57.07 57.93 1y5k s TYR 145 Cb 0.17 -3.27 0.00 0.00 -0.11 0.00 0.00 41.96 38.75 1y5k s TYR 145 CO 0.24 -0.63 0.00 -2.39 -1.11 0.00 0.00 175.55 171.67