#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2z n HIS 2 N 0.00 3.31 -3.80 2.03 -0.00 -1.26 -4.98 115.22 110.52 1y2z n HIS 2 Ca 0.00 -3.06 -0.36 0.00 -0.00 0.00 0.00 57.72 54.30 1y2z n HIS 2 Cb 0.00 -0.82 -0.07 0.00 -0.00 0.00 0.00 29.99 29.10 1y2z n HIS 2 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1y2z s LEU 3 N -3.91 4.31 0.28 0.27 1.43 -1.26 -5.08 118.68 114.71 1y2z s LEU 3 Ca 0.46 0.36 -0.28 0.00 -1.03 0.00 0.00 54.13 53.64 1y2z s LEU 3 Cb 0.29 -2.09 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 1y2z s LEU 3 CO -0.19 0.30 0.94 -0.89 0.23 0.00 0.00 176.35 176.74 1y2z s THR 4 N -0.38 4.16 0.35 5.49 2.01 -1.26 -4.82 115.64 121.19 1y2z s THR 4 Ca 0.12 1.93 0.15 0.00 0.31 0.00 0.00 61.69 64.20 1y2z s THR 4 Cb -0.12 -4.15 0.35 0.00 0.01 0.00 0.00 72.50 68.60 1y2z s THR 4 CO 0.01 0.30 1.69 -0.65 -0.69 0.00 0.00 174.62 175.28 1y2z h PRO 5 N 3.61 0.36 -0.53 4.92 0.11 -1.98 1.21 132.00 139.70 1y2z h PRO 5 Ca -0.46 -0.02 -0.10 0.00 0.11 0.00 0.00 66.00 65.52 1y2z h PRO 5 Cb 1.20 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.21 1y2z h PRO 5 CO 0.66 0.24 -0.08 0.93 -0.21 0.00 0.00 178.00 179.54 1y2z h GLU 6 N 0.37 0.97 -0.21 1.05 3.07 -1.99 -1.49 114.58 116.34 1y2z h GLU 6 Ca 0.70 -0.33 -0.18 0.00 -0.50 0.00 0.00 59.36 59.05 1y2z h GLU 6 Cb 1.63 -0.07 -0.00 0.00 -0.84 0.00 0.00 28.75 29.47 1y2z h GLU 6 CO -0.52 1.00 -0.60 0.93 -1.40 0.00 0.00 179.01 178.42 1y2z h GLU 7 N 0.87 0.70 -0.25 2.33 5.08 0.73 -2.67 114.58 121.38 1y2z h GLU 7 Ca 0.14 -0.47 -0.00 0.00 -1.00 0.00 0.00 59.36 58.03 1y2z h GLU 7 Cb 0.62 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.93 1y2z h GLU 7 CO 0.04 1.09 0.15 0.87 -1.00 0.00 0.00 179.01 180.16 1y2z h LYS 8 N 0.52 0.34 -0.31 2.33 1.57 0.54 -2.48 116.57 119.08 1y2z h LYS 8 Ca -0.00 -0.03 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1y2z h LYS 8 Cb 1.19 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.41 1y2z h LYS 8 CO 0.12 0.28 -0.06 0.66 -0.57 0.00 0.00 179.45 179.88 1y2z h SER 9 N 0.30 0.47 -0.27 0.86 4.64 -1.25 -1.97 113.55 116.33 1y2z h SER 9 Ca 0.09 -0.10 -0.13 0.00 -0.47 0.00 0.00 61.79 61.17 1y2z h SER 9 Cb 0.03 -0.12 -0.00 0.00 -0.31 0.00 0.00 62.40 61.99 1y2z h SER 9 CO -0.02 0.58 -0.35 0.00 -0.87 0.00 0.00 176.83 176.18 1y2z h ALA 10 N 1.47 0.41 0.94 5.18 0.00 -1.34 -0.61 119.26 125.32 1y2z h ALA 10 Ca 0.09 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.53 1y2z h ALA 10 Cb 0.40 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.12 1y2z h ALA 10 CO 0.02 0.47 -0.48 0.28 0.00 0.00 0.00 179.25 179.54 1y2z h VAL 11 N 0.46 0.00 -0.62 0.00 2.07 -1.30 -2.81 116.25 114.05 1y2z h VAL 11 Ca 0.03 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.68 1y2z h VAL 11 Cb 0.93 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.60 1y2z h VAL 11 CO 0.08 0.00 0.05 0.74 0.02 0.00 0.00 177.57 178.46 1y2z h THR 12 N -1.30 0.54 -0.06 2.57 2.02 -1.39 -1.73 112.91 113.55 1y2z h THR 12 Ca -0.13 -0.06 -0.11 0.00 0.77 0.00 0.00 66.41 66.88 1y2z h THR 12 Cb 1.01 0.35 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1y2z h THR 12 CO 0.19 0.03 -0.46 0.00 0.37 0.00 0.00 175.52 175.65 1y2z h ALA 13 N 1.54 1.12 0.14 6.16 0.00 -1.11 -2.89 119.26 124.22 1y2z h ALA 13 Ca 0.33 -0.44 -0.27 0.00 0.00 0.00 0.00 54.91 54.52 1y2z h ALA 13 Cb 0.52 -0.08 0.03 0.00 0.00 0.00 0.00 17.79 18.26 1y2z h ALA 13 CO -0.49 0.61 -1.15 1.25 0.00 0.00 0.00 179.25 179.47 1y2z h LEU 14 N 0.11 0.78 -1.15 0.00 7.12 -1.16 -3.30 115.31 117.71 1y2z h LEU 14 Ca 0.01 -0.85 0.12 0.00 0.13 0.00 0.00 57.88 57.28 1y2z h LEU 14 Cb 0.87 -0.25 -0.07 0.00 -0.53 0.00 0.00 40.66 40.68 1y2z h LEU 14 CO 0.07 1.56 0.60 -0.25 -0.13 0.00 0.00 178.44 180.28 1y2z h TRP 15 N 0.11 0.99 -0.68 1.25 2.91 -1.31 -0.71 115.95 118.51 1y2z h TRP 15 Ca -0.18 0.03 0.16 0.00 1.13 0.00 0.00 58.89 60.03 1y2z h TRP 15 Cb 1.86 -0.32 -0.04 0.00 -0.51 0.00 0.00 29.16 30.15 1y2z h TRP 15 CO 0.14 0.41 0.47 0.78 -1.03 0.00 0.00 178.44 179.21 1y2z h GLY 16 N 0.88 0.35 -0.43 2.65 0.00 -1.58 0.97 103.07 105.91 1y2z h GLY 16 Ca 0.45 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.70 1y2z h GLY 16 CO -0.22 0.03 0.00 0.28 0.00 0.00 0.00 176.54 176.63 1y2z n LYS 17 N -4.42 1.62 -3.22 4.80 5.02 -0.27 -4.94 118.16 116.75 1y2z n LYS 17 Ca 0.13 -0.91 -0.39 0.00 -2.02 0.00 0.00 58.31 55.12 1y2z n LYS 17 Cb 0.61 -1.46 -0.06 0.00 -0.02 0.00 0.00 35.03 34.10 1y2z n LYS 17 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1y2z s VAL 18 N -1.95 4.70 -0.57 -0.18 1.01 0.33 -5.02 120.40 118.72 1y2z s VAL 18 Ca 0.37 1.30 -0.18 0.00 0.00 0.00 0.00 61.98 63.47 1y2z s VAL 18 Cb 0.20 -3.94 0.12 0.00 0.00 0.00 0.00 36.38 32.76 1y2z s VAL 18 CO 0.32 0.54 0.61 0.21 0.00 0.00 0.00 175.10 176.78 1y2z s ASN 19 N -1.03 6.19 0.48 3.32 3.84 -1.26 -4.92 114.94 121.56 1y2z s ASN 19 Ca 0.30 -1.59 0.15 0.00 0.21 0.00 0.00 52.86 51.93 1y2z s ASN 19 Cb -0.20 -2.26 1.13 0.00 -0.55 0.00 0.00 41.25 39.37 1y2z s ASN 19 CO 0.20 -1.00 2.07 0.58 -2.79 0.00 0.00 177.10 176.16 1y2z h VAL 20 N 5.91 1.07 0.24 -5.21 2.07 -1.95 -0.78 116.25 117.60 1y2z h VAL 20 Ca -0.30 -0.31 -0.01 0.00 0.82 0.00 0.00 66.70 66.90 1y2z h VAL 20 Cb 1.09 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 32.02 1y2z h VAL 20 CO 1.07 0.09 -0.12 0.44 0.02 0.00 0.00 177.57 179.08 1y2z h ASP 21 N 0.01 -0.27 -0.04 0.57 5.19 -1.92 0.15 116.42 120.10 1y2z h ASP 21 Ca 0.00 -0.03 -0.07 0.00 -0.62 0.00 0.00 57.03 56.31 1y2z h ASP 21 Cb 0.16 0.07 0.00 0.00 0.18 0.00 0.00 39.33 39.74 1y2z h ASP 21 CO 0.01 -0.15 -0.25 -0.33 -3.12 0.00 0.00 179.24 175.40 1y2z h GLU 22 N -0.38 0.24 -0.39 3.56 5.08 -1.93 -3.01 114.58 117.75 1y2z h GLU 22 Ca -0.03 -0.21 -0.09 0.00 -1.00 0.00 0.00 59.36 58.03 1y2z h GLU 22 Cb 0.29 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.57 1y2z h GLU 22 CO 0.05 0.87 -0.12 0.28 -1.00 0.00 0.00 179.01 179.10 1y2z h VAL 23 N -0.33 1.25 -0.20 3.13 2.07 -1.17 -2.09 116.25 118.90 1y2z h VAL 23 Ca -0.02 -1.13 -0.02 0.00 0.82 0.00 0.00 66.70 66.34 1y2z h VAL 23 Cb 0.93 1.08 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1y2z h VAL 23 CO 0.05 0.38 0.05 1.23 0.02 0.00 0.00 177.57 179.31 1y2z h GLY 24 N 0.97 0.35 1.08 2.17 0.00 -1.06 -1.34 103.07 105.24 1y2z h GLY 24 Ca 0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 47.33 47.12 1y2z h GLY 24 CO 0.04 0.20 -0.04 -1.33 0.00 0.00 0.00 176.54 175.41 1y2z h GLY 25 N 0.15 1.14 0.97 4.60 0.00 -1.44 -2.64 103.07 105.84 1y2z h GLY 25 Ca 0.06 -0.87 -0.10 0.00 0.00 0.00 0.00 47.33 46.43 1y2z h GLY 25 CO 0.00 0.80 -0.18 -2.09 0.00 0.00 0.00 176.54 175.07 1y2z h GLU 26 N 0.94 0.73 0.05 4.80 4.81 -1.34 -1.70 114.58 122.87 1y2z h GLU 26 Ca 0.16 -0.32 -0.00 0.00 -0.13 0.00 0.00 59.36 59.06 1y2z h GLU 26 Cb 0.61 -0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.97 1y2z h GLU 26 CO 0.04 0.93 -0.02 0.00 -0.73 0.00 0.00 179.01 179.23 1y2z h ALA 27 N 0.78 -0.06 -0.69 2.92 0.00 -1.26 0.81 119.26 121.74 1y2z h ALA 27 Ca 0.07 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1y2z h ALA 27 Cb 0.72 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.51 1y2z h ALA 27 CO 0.05 -0.45 0.20 1.25 0.00 0.00 0.00 179.25 180.30 1y2z h LEU 28 N -0.23 1.01 -0.23 0.00 5.85 -1.53 -1.53 115.31 118.65 1y2z h LEU 28 Ca -0.01 -0.19 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1y2z h LEU 28 Cb 0.21 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 1y2z h LEU 28 CO 0.01 0.95 -0.02 1.23 -0.34 0.00 0.00 178.44 180.28 1y2z h GLY 29 N 1.08 0.45 1.34 3.75 0.00 -1.24 -2.14 103.07 106.32 1y2z h GLY 29 Ca 0.22 -0.35 -0.04 0.00 0.00 0.00 0.00 47.33 47.17 1y2z h GLY 29 CO -0.01 0.32 0.20 3.21 0.00 0.00 0.00 176.54 180.27 1y2z h ARG 30 N 0.18 0.85 0.12 4.80 3.08 -0.64 -2.12 114.38 120.64 1y2z h ARG 30 Ca 0.06 -0.14 0.01 0.00 0.07 0.00 0.00 59.98 59.98 1y2z h ARG 30 Cb 0.44 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 1y2z h ARG 30 CO 0.01 0.71 -0.15 1.25 -1.07 0.00 0.00 179.97 180.73 1y2z h LEU 31 N 0.83 -0.41 -2.17 3.04 5.85 -1.11 0.99 115.31 122.33 1y2z h LEU 31 Ca 0.19 0.05 -0.01 0.00 0.84 0.00 0.00 57.88 58.95 1y2z h LEU 31 Cb 0.20 0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1y2z h LEU 31 CO -0.01 -0.23 -0.04 -0.07 -0.34 0.00 0.00 178.44 177.75 1y2z h LEU 32 N -0.32 0.00 0.07 2.25 3.38 -0.90 -1.59 115.31 118.21 1y2z h LEU 32 Ca 0.01 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.68 1y2z h LEU 32 Cb 0.32 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.05 1y2z h LEU 32 CO -0.06 0.04 -1.62 0.58 0.09 0.00 0.00 178.44 177.46 1y2z h VAL 33 N 0.00 0.80 -0.12 1.22 2.07 -0.98 -3.31 116.25 115.92 1y2z h VAL 33 Ca -0.00 -2.28 -0.16 0.00 0.82 0.00 0.00 66.70 65.08 1y2z h VAL 33 Cb 0.08 2.42 0.01 0.00 -1.52 0.00 0.00 31.29 32.28 1y2z h VAL 33 CO 0.01 0.64 -0.54 1.23 0.02 0.00 0.00 177.57 178.92 1y2z h GLY 34 N 0.11 0.63 -6.49 2.17 0.00 -0.73 -3.37 103.07 95.40 1y2z h GLY 34 Ca -0.38 -0.88 -0.62 0.00 0.00 0.00 0.00 47.33 45.45 1y2z h GLY 34 CO -0.04 0.79 -0.49 -1.72 0.00 0.00 0.00 176.54 175.08 1y2z n TYR 35 N -4.18 3.53 -0.48 5.60 4.01 -0.61 -4.98 117.16 120.04 1y2z n TYR 35 Ca -0.08 -4.11 0.40 0.00 -0.16 0.00 0.00 57.90 53.95 1y2z n TYR 35 Cb 0.62 -0.64 0.70 0.00 -0.31 0.00 0.00 39.34 39.71 1y2z n TYR 35 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1y2z h PRO 36 N 4.60 0.07 0.00 -0.72 0.10 -1.73 -0.87 132.00 133.45 1y2z h PRO 36 Ca 0.19 -0.00 0.00 0.00 0.10 0.00 0.00 66.00 66.28 1y2z h PRO 36 Cb 0.68 -0.02 0.00 0.00 0.10 0.00 0.00 31.00 31.77 1y2z h PRO 36 CO 0.84 0.05 0.00 0.11 0.10 0.00 0.00 178.00 179.10 1y2z h TRP 37 N 0.08 0.00 0.00 0.65 0.09 -1.92 -2.32 115.95 112.53 1y2z h TRP 37 Ca 0.80 0.00 0.00 0.00 0.09 0.00 0.00 58.89 59.78 1y2z h TRP 37 Cb 2.75 0.00 0.00 0.00 0.08 0.00 0.00 29.16 31.99 1y2z h TRP 37 CO -0.00 0.00 0.00 0.25 0.09 0.00 0.00 178.44 178.78 1y2z n THR 38 N -3.08 1.11 0.60 0.12 -2.24 -0.33 -2.43 114.28 108.03 1y2z n THR 38 Ca -0.01 0.33 0.09 0.00 -2.27 0.00 0.00 64.05 62.20 1y2z n THR 38 Cb 0.20 -1.20 0.40 0.00 -2.10 0.00 0.00 70.33 67.63 1y2z n THR 38 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1y2z n GLN 39 N -1.79 0.04 0.32 -0.78 6.02 -0.87 -3.21 117.38 117.11 1y2z n GLN 39 Ca 0.02 0.22 0.20 0.00 -0.01 0.00 0.00 57.00 57.43 1y2z n GLN 39 Cb 0.15 -1.56 1.08 0.00 1.02 0.00 0.00 30.24 30.93 1y2z n GLN 39 CO 0.00 0.00 0.00 0.07 -1.01 0.00 0.00 177.06 176.12 1y2z h ARG 40 N 0.00 0.00 -0.00 -1.09 0.11 -1.71 -2.03 114.38 109.65 1y2z h ARG 40 Ca 0.00 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.08 1y2z h ARG 40 Cb 0.34 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.42 1y2z h ARG 40 CO 0.00 0.00 -0.76 1.19 0.10 0.00 0.00 179.97 180.50 1y2z n PHE 41 N -3.23 0.00 -2.60 4.08 3.01 -1.20 -4.52 117.46 113.00 1y2z n PHE 41 Ca -0.02 0.00 -0.25 0.00 1.01 0.00 0.00 57.45 58.19 1y2z n PHE 41 Cb 0.14 -0.08 -0.01 0.00 -0.01 0.00 0.00 39.48 39.53 1y2z n PHE 41 CO 0.00 0.00 0.00 1.19 1.01 0.00 0.00 176.76 178.96 1y2z n PHE 42 N -1.32 3.24 0.08 1.38 3.01 -0.76 -4.83 117.46 118.25 1y2z n PHE 42 Ca 0.05 -3.28 -0.09 0.00 1.01 0.00 0.00 57.45 55.15 1y2z n PHE 42 Cb 0.35 -0.20 -0.00 0.00 -0.01 0.00 0.00 39.48 39.62 1y2z n PHE 42 CO 0.00 0.00 0.00 0.93 1.01 0.00 0.00 176.76 178.70 1y2z h GLU 43 N 2.71 0.24 0.00 -1.08 4.39 -1.79 -3.17 114.58 115.87 1y2z h GLU 43 Ca 0.22 -0.25 0.00 0.00 0.34 0.00 0.00 59.36 59.67 1y2z h GLU 43 Cb 0.87 0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.58 1y2z h GLU 43 CO 0.80 0.96 0.00 -1.13 -1.16 0.00 0.00 179.01 178.48 1y2z n SER 44 N -3.70 0.00 0.15 1.42 3.41 -1.26 -3.13 113.62 110.51 1y2z n SER 44 Ca -0.04 0.10 0.03 0.00 -0.26 0.00 0.00 58.87 58.70 1y2z n SER 44 Cb 0.79 -0.33 0.10 0.00 -0.26 0.00 0.00 64.21 64.51 1y2z n SER 44 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 1y2z h PHE 45 N 0.00 0.00 0.00 7.33 0.05 -1.94 -3.50 116.94 118.88 1y2z h PHE 45 Ca 0.00 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.79 1y2z h PHE 45 Cb 0.22 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.17 1y2z h PHE 45 CO 0.00 0.49 0.00 0.41 -0.18 0.00 0.00 178.31 179.03 1y2z n GLY 46 N 0.98 0.08 3.59 -1.45 0.00 -1.18 -4.81 105.19 102.40 1y2z n GLY 46 Ca 0.01 -1.74 -0.42 0.00 0.00 0.00 0.00 46.02 43.87 1y2z n GLY 46 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1y2z s ASP 47 N -4.00 6.57 -0.12 1.61 3.68 -1.26 -4.89 116.67 118.26 1y2z s ASP 47 Ca 0.00 0.42 0.17 0.00 2.13 0.00 0.00 52.55 55.27 1y2z s ASP 47 Cb 0.00 -2.39 0.40 0.00 -1.45 0.00 0.00 42.92 39.48 1y2z s ASP 47 CO 0.00 -0.68 1.19 0.18 0.13 0.00 0.00 175.17 175.99 1y2z n LEU 48 N 6.31 1.93 0.27 -1.34 4.77 -1.26 -4.30 117.00 123.38 1y2z n LEU 48 Ca 0.03 -3.03 0.15 0.00 -0.03 0.00 0.00 56.01 53.13 1y2z n LEU 48 Cb 0.48 -0.30 0.67 0.00 -2.33 0.00 0.00 43.42 41.94 1y2z n LEU 48 CO 0.52 0.98 0.96 0.28 -1.33 0.00 0.00 177.39 178.80 1y2z h SER 49 N 0.91 0.00 -5.14 -1.43 0.02 -1.90 -3.45 113.55 102.56 1y2z h SER 49 Ca -0.09 0.00 -0.11 0.00 -0.84 0.00 0.00 61.79 60.75 1y2z h SER 49 Cb 1.36 0.00 -0.16 0.00 0.14 0.00 0.00 62.40 63.74 1y2z h SER 49 CO 0.04 0.07 -0.51 0.42 -1.14 0.00 0.00 176.83 175.71 1y2z s THR 50 N -3.75 0.15 0.18 -2.27 -4.23 -1.26 -5.02 115.64 99.45 1y2z s THR 50 Ca 0.00 -1.26 -0.21 0.00 -1.18 0.00 0.00 61.69 59.05 1y2z s THR 50 Cb 0.10 -1.14 0.12 0.00 1.34 0.00 0.00 72.50 72.91 1y2z s THR 50 CO 0.56 -0.69 1.59 -0.65 -0.54 0.00 0.00 174.62 174.89 1y2z h PRO 51 N 3.31 -0.17 -0.48 3.99 0.11 -1.97 0.95 132.00 137.74 1y2z h PRO 51 Ca -0.33 0.01 0.08 0.00 0.11 0.00 0.00 66.00 65.87 1y2z h PRO 51 Cb 1.18 0.04 -0.07 0.00 0.11 0.00 0.00 31.00 32.26 1y2z h PRO 51 CO 0.55 -0.11 0.07 -0.44 -0.21 0.00 0.00 178.00 177.86 1y2z h ASP 52 N -0.17 -0.06 0.48 -2.05 3.32 -1.97 0.46 116.42 116.43 1y2z h ASP 52 Ca 0.22 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 57.32 1y2z h ASP 52 Cb 0.54 0.14 -0.01 0.00 0.22 0.00 0.00 39.33 40.23 1y2z h ASP 52 CO -0.64 -0.00 -0.22 0.00 -1.72 0.00 0.00 179.24 176.65 1y2z h ALA 53 N 1.39 1.27 0.00 3.45 0.00 -1.50 -0.75 119.26 123.11 1y2z h ALA 53 Ca 0.24 -0.20 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 1y2z h ALA 53 Cb 0.33 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1y2z h ALA 53 CO -0.34 0.28 -0.36 0.28 0.00 0.00 0.00 179.25 179.11 1y2z h VAL 54 N 0.00 1.12 -0.26 0.00 2.07 0.69 -2.79 116.25 117.08 1y2z h VAL 54 Ca -0.00 -1.96 0.05 0.00 0.82 0.00 0.00 66.70 65.61 1y2z h VAL 54 Cb 0.53 2.24 -0.01 0.00 -1.52 0.00 0.00 31.29 32.52 1y2z h VAL 54 CO 0.03 0.38 0.18 0.24 0.02 0.00 0.00 177.57 178.42 1y2z h MET 55 N -1.00 0.10 0.00 1.57 2.07 -0.12 -2.23 114.93 115.31 1y2z h MET 55 Ca -0.09 -0.01 -0.14 0.00 -2.07 0.00 0.00 59.70 57.39 1y2z h MET 55 Cb 0.87 -0.02 -0.02 0.00 -1.87 0.00 0.00 31.60 30.55 1y2z h MET 55 CO -0.05 0.06 -1.26 0.78 1.07 0.00 0.00 176.91 177.51 1y2z h GLY 56 N 0.10 0.00 -6.14 8.32 0.00 -1.27 -3.47 103.07 100.61 1y2z h GLY 56 Ca 0.12 0.00 -0.58 0.00 0.00 0.00 0.00 47.33 46.87 1y2z h GLY 56 CO -0.01 0.00 1.32 -2.01 0.00 0.00 0.00 176.54 175.84 1y2z n ASN 57 N -2.91 3.57 0.20 0.19 2.85 -0.84 -4.84 115.26 113.48 1y2z n ASN 57 Ca -0.07 0.62 0.05 0.00 -0.11 0.00 0.00 54.58 55.06 1y2z n ASN 57 Cb 0.80 -1.49 0.48 0.00 1.24 0.00 0.00 39.78 40.81 1y2z n ASN 57 CO 0.00 0.00 0.00 1.55 -2.11 0.00 0.00 177.26 176.70 1y2z h PRO 58 N 12.17 0.07 -0.29 1.20 0.13 -1.90 -2.03 132.00 141.36 1y2z h PRO 58 Ca -0.45 -0.01 -0.10 0.00 -0.87 0.00 0.00 66.00 64.57 1y2z h PRO 58 Cb 1.25 -0.01 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 1y2z h PRO 58 CO 0.95 0.22 -0.22 0.87 -0.23 0.00 0.00 178.00 179.59 1y2z h LYS 59 N 0.07 0.55 -0.16 0.86 1.57 -1.88 -1.21 116.57 116.37 1y2z h LYS 59 Ca 0.01 -0.20 -0.04 0.00 -1.87 0.00 0.00 60.65 58.55 1y2z h LYS 59 Cb 0.30 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 1y2z h LYS 59 CO 0.02 0.73 -0.06 0.28 -0.57 0.00 0.00 179.45 179.85 1y2z h VAL 60 N 0.49 1.31 -0.85 0.50 2.07 -1.74 -1.35 116.25 116.68 1y2z h VAL 60 Ca 0.07 -1.08 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1y2z h VAL 60 Cb 0.65 1.70 -0.04 0.00 -1.52 0.00 0.00 31.29 32.08 1y2z h VAL 60 CO 0.05 0.32 0.40 0.11 0.02 0.00 0.00 177.57 178.46 1y2z h LYS 61 N -0.00 1.23 -0.00 1.57 6.56 -1.20 -0.54 116.57 124.17 1y2z h LYS 61 Ca 0.04 -0.19 -0.17 0.00 -1.06 0.00 0.00 60.65 59.26 1y2z h LYS 61 Cb 0.52 -0.22 -0.02 0.00 -0.57 0.00 0.00 32.23 31.95 1y2z h LYS 61 CO 0.02 0.95 -0.80 0.00 -2.06 0.00 0.00 179.45 177.56 1y2z h ALA 62 N 1.21 0.66 -0.15 3.86 0.00 -1.23 -2.24 119.26 121.37 1y2z h ALA 62 Ca 0.29 -0.70 -0.18 0.00 0.00 0.00 0.00 54.91 54.32 1y2z h ALA 62 Cb 0.13 -0.10 -0.00 0.00 0.00 0.00 0.00 17.79 17.82 1y2z h ALA 62 CO -0.03 0.93 -0.66 1.25 0.00 0.00 0.00 179.25 180.74 1y2z h HIS 63 N 0.05 0.77 -0.88 0.00 -0.00 -0.91 -2.93 115.15 111.25 1y2z h HIS 63 Ca -0.02 -0.31 0.03 0.00 -0.00 0.00 0.00 60.37 60.07 1y2z h HIS 63 Cb 1.40 -0.13 -0.05 0.00 -0.00 0.00 0.00 27.41 28.62 1y2z h HIS 63 CO 0.01 1.08 0.57 0.78 -0.00 0.00 0.00 177.93 180.37 1y2z h GLY 64 N 0.99 1.28 1.80 5.26 0.00 -0.96 -1.31 103.07 110.13 1y2z h GLY 64 Ca -0.02 -0.44 -0.13 0.00 0.00 0.00 0.00 47.33 46.75 1y2z h GLY 64 CO 0.12 0.38 -0.53 1.70 0.00 0.00 0.00 176.54 178.22 1y2z h LYS 65 N 1.12 0.22 -0.27 4.80 3.64 -1.38 -1.72 116.57 122.97 1y2z h LYS 65 Ca 0.35 -0.13 -0.13 0.00 -1.27 0.00 0.00 60.65 59.47 1y2z h LYS 65 Cb -0.01 0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 31.82 1y2z h LYS 65 CO -0.11 0.69 -0.34 -0.22 -2.27 0.00 0.00 179.45 177.20 1y2z h LYS 66 N 0.17 0.70 -0.06 1.90 3.64 -1.25 -1.64 116.57 120.04 1y2z h LYS 66 Ca 0.00 -0.40 -0.02 0.00 -1.27 0.00 0.00 60.65 58.97 1y2z h LYS 66 Cb 0.99 0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.83 1y2z h LYS 66 CO 0.08 1.02 -0.03 0.28 -2.27 0.00 0.00 179.45 178.53 1y2z h VAL 67 N 0.44 1.33 0.00 2.00 2.07 -1.20 -2.55 116.25 118.34 1y2z h VAL 67 Ca 0.03 -1.04 -0.03 0.00 0.82 0.00 0.00 66.70 66.48 1y2z h VAL 67 Cb 0.92 1.90 -0.00 0.00 -1.52 0.00 0.00 31.29 32.59 1y2z h VAL 67 CO 0.08 0.29 -0.15 -0.07 0.02 0.00 0.00 177.57 177.74 1y2z h LEU 68 N -0.26 0.00 0.73 2.57 -0.00 -1.37 -1.12 115.31 115.86 1y2z h LEU 68 Ca 0.01 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.86 1y2z h LEU 68 Cb 0.47 0.00 0.01 0.00 -0.00 0.00 0.00 40.66 41.14 1y2z h LEU 68 CO 0.01 0.15 -0.35 1.23 -0.00 0.00 0.00 178.44 179.48 1y2z h GLY 69 N 1.57 -1.02 0.37 0.83 0.00 -1.22 0.52 103.07 104.12 1y2z h GLY 69 Ca -0.00 0.38 0.14 0.00 0.00 0.00 0.00 47.33 47.85 1y2z h GLY 69 CO 0.02 -0.37 0.63 0.00 0.00 0.00 0.00 176.54 176.81 1y2z h ALA 70 N -1.13 1.57 0.25 3.60 0.00 -1.27 -0.51 119.26 121.77 1y2z h ALA 70 Ca -0.10 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.84 1y2z h ALA 70 Cb 0.77 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1y2z h ALA 70 CO 0.16 0.14 -0.12 0.35 0.00 0.00 0.00 179.25 179.78 1y2z h PHE 71 N 0.93 -0.32 -0.82 0.00 3.57 -1.01 -2.75 116.94 116.54 1y2z h PHE 71 Ca 0.52 -0.01 0.17 0.00 3.53 0.00 0.00 57.97 62.19 1y2z h PHE 71 Cb 0.61 0.10 -0.11 0.00 2.79 0.00 0.00 35.95 39.35 1y2z h PHE 71 CO -0.00 -0.11 0.33 1.03 -2.23 0.00 0.00 178.31 177.33 1y2z h SER 72 N -0.46 0.29 0.65 0.41 0.87 0.15 0.43 113.55 115.89 1y2z h SER 72 Ca -0.03 0.13 -0.07 0.00 -1.23 0.00 0.00 61.79 60.58 1y2z h SER 72 Cb 0.35 0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.41 1y2z h SER 72 CO 0.06 0.06 -0.35 0.44 -0.53 0.00 0.00 176.83 176.51 1y2z h ASP 73 N 0.43 0.00 0.97 6.23 3.32 -1.09 -2.86 116.42 123.42 1y2z h ASP 73 Ca 0.47 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.50 1y2z h ASP 73 Cb 0.80 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.34 1y2z h ASP 73 CO -0.46 0.35 -0.12 1.23 -1.72 0.00 0.00 179.24 178.52 1y2z h GLY 74 N 1.64 0.00 1.53 2.75 0.00 -0.61 -2.82 103.07 105.57 1y2z h GLY 74 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1y2z h GLY 74 CO 0.05 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.63 1y2z n LEU 75 N -3.26 0.00 -0.37 3.11 4.77 -1.08 -1.59 117.00 118.59 1y2z n LEU 75 Ca 0.00 0.26 0.10 0.00 -0.03 0.00 0.00 56.01 56.35 1y2z n LEU 75 Cb 0.37 -0.26 -0.02 0.00 -2.33 0.00 0.00 43.42 41.17 1y2z n LEU 75 CO 0.31 -0.08 0.23 0.00 -1.33 0.00 0.00 177.39 176.51 1y2z n ALA 76 N -1.26 3.63 -2.70 -1.18 0.00 -1.06 -4.28 120.51 113.66 1y2z n ALA 76 Ca 0.10 -0.60 -0.05 0.00 0.00 0.00 0.00 53.44 52.89 1y2z n ALA 76 Cb 0.16 -0.71 0.04 0.00 0.00 0.00 0.00 19.45 18.94 1y2z n ALA 76 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y2z n HIS 77 N -0.32 1.50 0.11 0.00 8.25 -0.62 -4.89 115.22 119.26 1y2z n HIS 77 Ca 0.07 -2.28 0.04 0.00 -0.26 0.00 0.00 57.72 55.30 1y2z n HIS 77 Cb 0.40 -0.26 0.22 0.00 1.12 0.00 0.00 29.99 31.47 1y2z n HIS 77 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1y2z n LEU 78 N -0.53 0.20 -0.99 2.41 7.94 -1.10 -0.85 117.00 124.07 1y2z n LEU 78 Ca 0.13 0.58 0.09 0.00 -1.11 0.00 0.00 56.01 55.71 1y2z n LEU 78 Cb 0.82 -0.60 0.22 0.00 0.53 0.00 0.00 43.42 44.39 1y2z n LEU 78 CO 0.15 -0.61 0.68 0.47 -1.11 0.00 0.00 177.39 176.97 1y2z n ASP 79 N -1.76 3.33 -2.70 1.96 10.43 -1.26 -2.01 116.55 124.55 1y2z n ASP 79 Ca 0.00 -1.95 -0.06 0.00 2.57 0.00 0.00 54.79 55.35 1y2z n ASP 79 Cb 0.04 -0.31 0.08 0.00 1.84 0.00 0.00 41.12 42.76 1y2z n ASP 79 CO 0.00 0.00 0.00 -3.20 -1.07 0.00 0.00 177.20 172.93 1y2z n ASN 80 N 1.14 -1.94 0.11 -2.24 5.15 -0.03 -4.63 115.26 112.83 1y2z n ASN 80 Ca 0.17 -2.54 -0.02 0.00 -0.60 0.00 0.00 54.58 51.60 1y2z n ASN 80 Cb 0.52 1.30 0.21 0.00 -0.53 0.00 0.00 39.78 41.29 1y2z n ASN 80 CO 0.00 0.00 0.00 -0.07 1.40 0.00 0.00 177.26 178.59 1y2z h LEU 81 N 3.24 0.17 0.33 1.20 3.38 -1.71 -2.52 115.31 119.41 1y2z h LEU 81 Ca -0.20 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1y2z h LEU 81 Cb 1.14 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 41.81 1y2z h LEU 81 CO 0.05 0.63 -0.40 0.50 0.09 0.00 0.00 178.44 179.30 1y2z h LYS 82 N 0.13 -0.75 -0.12 1.13 1.63 -1.90 0.77 116.57 117.47 1y2z h LYS 82 Ca 0.01 0.05 -0.07 0.00 -0.85 0.00 0.00 60.65 59.78 1y2z h LYS 82 Cb 0.90 0.17 -0.01 0.00 -0.60 0.00 0.00 32.23 32.69 1y2z h LYS 82 CO 0.07 -0.50 -0.26 0.78 -3.45 0.00 0.00 179.45 176.09 1y2z h GLY 83 N -0.78 0.22 1.47 5.01 0.00 -1.94 -1.91 103.07 105.14 1y2z h GLY 83 Ca -0.02 -0.17 -0.16 0.00 0.00 0.00 0.00 47.33 46.98 1y2z h GLY 83 CO -0.11 0.15 -0.57 -0.84 0.00 0.00 0.00 176.54 175.17 1y2z h THR 84 N 0.19 1.32 -0.64 4.70 2.02 -0.97 -3.29 112.91 116.25 1y2z h THR 84 Ca 0.03 -1.83 0.00 0.00 0.77 0.00 0.00 66.41 65.38 1y2z h THR 84 Cb 0.56 1.81 0.00 0.00 -1.74 0.00 0.00 68.15 68.78 1y2z h THR 84 CO 0.04 0.57 0.00 0.49 0.37 0.00 0.00 175.52 176.99 1y2z n PHE 85 N -3.95 0.94 0.03 3.16 3.01 0.22 -4.70 117.46 116.16 1y2z n PHE 85 Ca -0.03 -0.52 -0.13 0.00 1.01 0.00 0.00 57.45 57.78 1y2z n PHE 85 Cb 0.62 -0.04 -0.07 0.00 -0.01 0.00 0.00 39.48 39.98 1y2z n PHE 85 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1y2z h ALA 86 N 3.75 -0.65 -0.60 4.37 0.00 -1.42 0.35 119.26 125.06 1y2z h ALA 86 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.83 1y2z h ALA 86 Cb 1.00 0.78 -0.03 0.00 0.00 0.00 0.00 17.79 19.54 1y2z h ALA 86 CO 0.03 -0.95 0.17 1.15 0.00 0.00 0.00 179.25 179.65 1y2z h THR 87 N -0.54 1.23 -0.12 0.00 2.02 -1.86 -1.61 112.91 112.04 1y2z h THR 87 Ca 0.06 -0.82 -0.13 0.00 0.77 0.00 0.00 66.41 66.29 1y2z h THR 87 Cb 0.64 0.59 -0.01 0.00 -1.74 0.00 0.00 68.15 67.63 1y2z h THR 87 CO -0.36 0.31 -0.49 0.25 0.37 0.00 0.00 175.52 175.60 1y2z h LEU 88 N 0.89 0.33 -0.30 2.58 5.85 -1.79 -1.83 115.31 121.04 1y2z h LEU 88 Ca 0.20 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1y2z h LEU 88 Cb 0.28 -0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.21 1y2z h LEU 88 CO -0.01 0.77 -0.00 -1.28 -0.34 0.00 0.00 178.44 177.58 1y2z h SER 89 N 0.24 0.52 -0.62 1.25 0.87 0.27 -1.95 113.55 114.13 1y2z h SER 89 Ca 0.01 -0.31 -0.08 0.00 -1.23 0.00 0.00 61.79 60.18 1y2z h SER 89 Cb 0.96 -0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1y2z h SER 89 CO 0.08 0.70 0.06 -0.33 -0.53 0.00 0.00 176.83 176.81 1y2z h GLU 90 N 0.32 1.06 -0.35 2.24 5.08 -1.23 -2.47 114.58 119.22 1y2z h GLU 90 Ca 0.08 -0.31 0.02 0.00 -1.00 0.00 0.00 59.36 58.16 1y2z h GLU 90 Cb 0.44 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.55 1y2z h GLU 90 CO 0.02 1.00 0.19 1.25 -1.00 0.00 0.00 179.01 180.47 1y2z h LEU 91 N 0.96 0.31 -1.28 1.33 5.85 -1.22 0.13 115.31 121.39 1y2z h LEU 91 Ca 0.18 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.85 1y2z h LEU 91 Cb 0.48 -0.05 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1y2z h LEU 91 CO 0.02 0.22 -0.14 0.45 -0.34 0.00 0.00 178.44 178.66 1y2z h HIS 92 N 0.40 0.34 0.03 1.25 3.86 -1.28 0.76 115.15 120.50 1y2z h HIS 92 Ca 0.14 -0.04 -0.00 0.00 -1.16 0.00 0.00 60.37 59.31 1y2z h HIS 92 Cb 0.02 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.40 1y2z h HIS 92 CO -0.08 0.46 -0.01 0.00 0.86 0.00 0.00 177.93 179.15 1y2z h ASP 94 N -0.33 0.00 0.00 0.00 3.32 -0.84 -3.00 116.42 115.58 1y2z h ASP 94 Ca -0.00 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.84 1y2z h ASP 94 Cb 0.03 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.54 1y2z h ASP 94 CO 0.01 0.42 -1.72 0.29 -1.72 0.00 0.00 179.24 176.52 1y2z n LYS 95 N -3.58 0.28 0.07 3.56 4.01 0.12 -4.79 118.16 117.83 1y2z n LYS 95 Ca -0.00 0.11 0.02 0.00 -0.51 0.00 0.00 58.31 57.92 1y2z n LYS 95 Cb 0.53 -1.04 -0.04 0.00 -0.51 0.00 0.00 35.03 33.97 1y2z n LYS 95 CO 0.00 0.00 0.00 -0.07 -1.11 0.00 0.00 177.40 176.22 1y2z h LEU 96 N -0.34 0.00 -1.31 -0.35 3.38 -1.26 -3.49 115.31 111.94 1y2z h LEU 96 Ca -0.31 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.26 1y2z h LEU 96 Cb 1.33 0.00 0.10 0.00 0.09 0.00 0.00 40.66 42.18 1y2z h LEU 96 CO -0.16 0.50 -0.75 1.41 0.09 0.00 0.00 178.44 179.53 1y2z n HIS 97 N -2.96 -2.38 -3.28 1.13 8.25 -0.00 -4.96 115.22 111.00 1y2z n HIS 97 Ca -0.05 0.94 -0.39 0.00 -0.26 0.00 0.00 57.72 57.96 1y2z n HIS 97 Cb 0.78 -4.76 -0.07 0.00 1.12 0.00 0.00 29.99 27.06 1y2z n HIS 97 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 1y2z s VAL 98 N -3.40 5.12 0.11 1.59 1.01 -0.64 -5.03 120.40 119.17 1y2z s VAL 98 Ca 0.30 0.86 -0.31 0.00 0.00 0.00 0.00 61.98 62.83 1y2z s VAL 98 Cb -0.14 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.36 1y2z s VAL 98 CO 0.76 0.18 1.41 -0.62 0.00 0.00 0.00 175.10 176.83 1y2z s ASP 99 N 1.22 6.80 0.26 3.32 3.68 -1.26 -4.75 116.67 125.95 1y2z s ASP 99 Ca 0.22 2.34 0.16 0.00 2.13 0.00 0.00 52.55 57.40 1y2z s ASP 99 Cb -0.15 -2.59 0.87 0.00 -1.45 0.00 0.00 42.92 39.60 1y2z s ASP 99 CO 0.09 -0.68 1.46 -2.65 0.13 0.00 0.00 175.17 173.52 1y2z n PRO 100 N 4.05 0.10 0.22 4.34 -0.02 -1.26 -1.70 135.00 140.74 1y2z n PRO 100 Ca 0.12 0.59 0.05 0.00 -2.02 0.00 0.00 63.50 62.24 1y2z n PRO 100 Cb 0.42 -1.92 0.51 0.00 -0.02 0.00 0.00 33.50 32.49 1y2z n PRO 100 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y2z h GLU 101 N 0.00 0.01 -0.39 -0.52 4.57 -1.98 -1.51 114.58 114.77 1y2z h GLU 101 Ca 0.00 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1y2z h GLU 101 Cb 0.15 -0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1y2z h GLU 101 CO 0.00 0.17 0.26 -0.91 -1.18 0.00 0.00 179.01 177.35 1y2z h ASN 102 N 0.01 0.40 -0.21 1.04 -0.26 -1.71 -1.61 115.58 113.24 1y2z h ASN 102 Ca 0.00 -0.01 -0.06 0.00 -0.56 0.00 0.00 56.30 55.67 1y2z h ASN 102 Cb 0.29 -0.10 -0.02 0.00 -1.06 0.00 0.00 38.32 37.43 1y2z h ASN 102 CO 0.02 0.28 -0.06 -0.26 -1.06 0.00 0.00 177.43 176.36 1y2z h PHE 103 N 0.47 0.58 0.08 1.19 0.04 -1.45 -1.47 116.94 116.37 1y2z h PHE 103 Ca 0.15 -0.07 -0.28 0.00 2.80 0.00 0.00 57.97 60.56 1y2z h PHE 103 Cb 0.03 -0.16 0.02 0.00 2.20 0.00 0.00 35.95 38.04 1y2z h PHE 103 CO -0.00 0.60 -1.16 0.00 -0.60 0.00 0.00 178.31 177.15 1y2z h ARG 104 N 0.51 0.59 -0.15 1.51 3.08 -1.38 -2.51 114.38 116.04 1y2z h ARG 104 Ca 0.10 -0.74 0.01 0.00 0.07 0.00 0.00 59.98 59.42 1y2z h ARG 104 Cb 0.42 0.24 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 1y2z h ARG 104 CO 0.02 1.32 0.05 -0.07 -1.07 0.00 0.00 179.97 180.22 1y2z h LEU 105 N 0.28 0.05 -0.38 3.04 3.38 -1.12 -2.35 115.31 118.21 1y2z h LEU 105 Ca -0.16 0.02 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1y2z h LEU 105 Cb 1.83 0.01 -0.03 0.00 0.09 0.00 0.00 40.66 42.56 1y2z h LEU 105 CO 0.22 0.05 0.18 0.25 0.09 0.00 0.00 178.44 179.23 1y2z h LEU 106 N 0.12 0.25 -0.58 1.67 5.85 -1.32 -1.34 115.31 119.96 1y2z h LEU 106 Ca 0.06 0.02 0.10 0.00 0.84 0.00 0.00 57.88 58.91 1y2z h LEU 106 Cb 0.04 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 40.97 1y2z h LEU 106 CO -0.07 0.18 0.14 1.23 -0.34 0.00 0.00 178.44 179.59 1y2z h GLY 107 N 0.37 0.74 1.08 3.75 0.00 -1.28 0.82 103.07 108.56 1y2z h GLY 107 Ca 0.17 -0.04 -0.10 0.00 0.00 0.00 0.00 47.33 47.35 1y2z h GLY 107 CO -0.13 -0.09 -0.03 3.43 0.00 0.00 0.00 176.54 179.73 1y2z h ASN 108 N 0.28 1.05 -0.40 0.19 2.35 -0.99 -1.60 115.58 116.45 1y2z h ASN 108 Ca 0.30 -0.32 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 1y2z h ASN 108 Cb 0.42 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.49 1y2z h ASN 108 CO -0.37 1.11 0.22 0.58 -1.65 0.00 0.00 177.43 177.32 1y2z h VAL 109 N 0.96 1.16 -0.45 2.81 2.07 0.04 -2.29 116.25 120.54 1y2z h VAL 109 Ca 0.16 -0.41 0.09 0.00 0.82 0.00 0.00 66.70 67.36 1y2z h VAL 109 Cb 0.59 0.69 -0.09 0.00 -1.52 0.00 0.00 31.29 30.97 1y2z h VAL 109 CO 0.04 0.16 -0.11 0.25 0.02 0.00 0.00 177.57 177.93 1y2z h LEU 110 N 0.52 -0.42 -1.13 2.57 5.85 0.10 0.12 115.31 122.92 1y2z h LEU 110 Ca 0.14 0.13 0.04 0.00 0.84 0.00 0.00 57.88 59.04 1y2z h LEU 110 Cb 0.07 0.28 -0.05 0.00 0.37 0.00 0.00 40.66 41.32 1y2z h LEU 110 CO -0.02 -0.15 0.59 0.58 -0.34 0.00 0.00 178.44 179.10 1y2z h VAL 111 N 0.00 1.13 -0.39 1.05 2.07 -1.04 -0.34 116.25 118.73 1y2z h VAL 111 Ca 0.22 -0.38 -0.14 0.00 0.82 0.00 0.00 66.70 67.22 1y2z h VAL 111 Cb 0.33 -0.08 -0.01 0.00 -1.52 0.00 0.00 31.29 30.01 1y2z h VAL 111 CO -0.46 0.20 -0.30 0.00 0.02 0.00 0.00 177.57 177.03 1y2z h VAL 113 N 0.71 1.22 -0.92 0.00 2.07 0.07 -0.90 116.25 118.51 1y2z h VAL 113 Ca 0.08 -0.74 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1y2z h VAL 113 Cb 0.85 1.10 -0.05 0.00 -1.52 0.00 0.00 31.29 31.68 1y2z h VAL 113 CO 0.07 0.25 0.61 -0.07 0.02 0.00 0.00 177.57 178.45 1y2z h LEU 114 N 0.35 1.05 -0.66 2.57 3.38 -0.97 -0.41 115.31 120.62 1y2z h LEU 114 Ca 0.10 -0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1y2z h LEU 114 Cb 0.30 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 1y2z h LEU 114 CO 0.00 0.75 0.07 0.00 0.09 0.00 0.00 178.44 179.35 1y2z h ALA 115 N 1.34 0.88 -0.33 1.53 0.00 -1.02 -0.73 119.26 120.94 1y2z h ALA 115 Ca 0.34 -0.29 0.04 0.00 0.00 0.00 0.00 54.91 55.00 1y2z h ALA 115 Cb -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.37 1y2z h ALA 115 CO -0.08 0.67 0.08 1.25 0.00 0.00 0.00 179.25 181.17 1y2z h HIS 116 N 1.02 0.13 -0.07 0.00 -0.00 -0.32 -1.59 115.15 114.33 1y2z h HIS 116 Ca 0.19 0.02 -0.09 0.00 -0.00 0.00 0.00 60.37 60.49 1y2z h HIS 116 Cb 0.49 -0.01 0.00 0.00 -0.00 0.00 0.00 27.41 27.89 1y2z h HIS 116 CO 0.04 0.04 -0.30 0.45 -0.00 0.00 0.00 177.93 178.15 1y2z h HIS 117 N 0.20 0.44 -0.01 5.26 -0.00 -0.93 -3.37 115.15 116.73 1y2z h HIS 117 Ca 0.15 -0.19 0.00 0.00 -0.00 0.00 0.00 60.37 60.33 1y2z h HIS 117 Cb 0.16 -0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.50 1y2z h HIS 117 CO -0.17 0.92 -0.32 1.19 -0.00 0.00 0.00 177.93 179.55 1y2z n PHE 118 N -4.44 0.00 0.00 2.45 3.01 -0.29 -5.03 117.46 113.16 1y2z n PHE 118 Ca -0.08 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.38 1y2z n PHE 118 Cb 0.49 -0.04 0.00 0.00 -0.01 0.00 0.00 39.48 39.92 1y2z n PHE 118 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1y2z n GLY 119 N 1.37 2.20 0.32 1.37 0.00 -0.60 -0.88 105.19 108.97 1y2z n GLY 119 Ca 0.11 0.31 0.06 0.00 0.00 0.00 0.00 46.02 46.50 1y2z n GLY 119 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1y2z h LYS 120 N 0.00 0.02 -0.68 1.61 -0.00 -1.96 -0.67 116.57 114.89 1y2z h LYS 120 Ca 0.00 -0.00 0.18 0.00 -0.00 0.00 0.00 60.65 60.83 1y2z h LYS 120 Cb 0.00 -0.00 -0.03 0.00 -0.00 0.00 0.00 32.23 32.19 1y2z h LYS 120 CO 0.00 0.01 0.48 1.49 -0.00 0.00 0.00 179.45 181.43 1y2z h GLU 121 N 0.02 0.10 -3.89 0.07 4.81 -1.42 -3.27 114.58 111.01 1y2z h GLU 121 Ca 0.46 -0.01 -0.75 0.00 -0.13 0.00 0.00 59.36 58.93 1y2z h GLU 121 Cb 0.77 -0.02 -0.16 0.00 0.63 0.00 0.00 28.75 29.96 1y2z h GLU 121 CO -0.87 0.07 1.77 0.34 -0.73 0.00 0.00 179.01 179.59 1y2z n PHE 122 N -4.38 3.59 -1.82 0.92 7.35 -0.26 -4.92 117.46 117.93 1y2z n PHE 122 Ca 0.13 -2.97 -0.31 0.00 -0.76 0.00 0.00 57.45 53.54 1y2z n PHE 122 Cb 0.68 -2.01 0.02 0.00 0.35 0.00 0.00 39.48 38.52 1y2z n PHE 122 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y2z s THR 123 N 0.67 4.46 0.25 -2.13 -4.23 -1.24 -4.75 115.64 108.68 1y2z s THR 123 Ca 0.40 0.84 -0.07 0.00 -1.18 0.00 0.00 61.69 61.68 1y2z s THR 123 Cb 0.05 -3.70 0.30 0.00 1.34 0.00 0.00 72.50 70.49 1y2z s THR 123 CO 0.01 -1.01 1.62 -0.65 -0.54 0.00 0.00 174.62 174.05 1y2z h PRO 124 N -0.33 0.07 -0.24 3.99 0.11 -1.94 0.45 132.00 134.12 1y2z h PRO 124 Ca -0.44 -0.00 -0.08 0.00 0.11 0.00 0.00 66.00 65.59 1y2z h PRO 124 Cb 1.20 -0.02 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y2z h PRO 124 CO 0.60 0.05 -0.18 -1.35 -0.21 0.00 0.00 178.00 176.91 1y2z h PRO 125 N 0.08 0.43 -0.18 1.05 0.11 -1.99 -0.65 132.00 130.85 1y2z h PRO 125 Ca 0.43 -0.14 -0.19 0.00 0.11 0.00 0.00 66.00 66.21 1y2z h PRO 125 Cb 0.75 -0.04 0.01 0.00 0.11 0.00 0.00 31.00 31.83 1y2z h PRO 125 CO -0.72 0.60 -0.65 0.28 -0.21 0.00 0.00 178.00 177.31 1y2z h VAL 126 N 0.39 1.30 -0.54 3.15 2.07 -0.65 -2.68 116.25 119.28 1y2z h VAL 126 Ca 0.07 -1.86 -0.01 0.00 0.82 0.00 0.00 66.70 65.72 1y2z h VAL 126 Cb 0.55 1.94 -0.03 0.00 -1.52 0.00 0.00 31.29 32.23 1y2z h VAL 126 CO 0.04 0.59 0.32 -0.61 0.02 0.00 0.00 177.57 177.92 1y2z h GLN 127 N 0.47 0.74 -0.54 1.57 4.15 -0.28 -2.14 115.11 119.07 1y2z h GLN 127 Ca -0.03 -0.07 0.10 0.00 0.77 0.00 0.00 58.65 59.42 1y2z h GLN 127 Cb 1.27 -0.15 -0.08 0.00 0.21 0.00 0.00 27.48 28.73 1y2z h GLN 127 CO 0.14 0.55 0.09 0.00 -1.93 0.00 0.00 178.83 177.67 1y2z h ALA 128 N 1.15 0.61 -0.41 3.38 0.00 -1.07 0.43 119.26 123.36 1y2z h ALA 128 Ca 0.19 0.13 -0.09 0.00 0.00 0.00 0.00 54.91 55.14 1y2z h ALA 128 Cb 0.01 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.96 1y2z h ALA 128 CO -0.03 -0.32 -0.11 0.00 0.00 0.00 0.00 179.25 178.78 1y2z h ALA 129 N 1.44 1.04 -0.08 0.00 0.00 -1.28 -2.56 119.26 117.82 1y2z h ALA 129 Ca 0.28 -0.31 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 1y2z h ALA 129 Cb 0.40 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 1y2z h ALA 129 CO -0.38 0.58 -0.54 1.88 0.00 0.00 0.00 179.25 180.79 1y2z h TYR 130 N 0.66 0.29 -0.40 0.00 0.05 -0.55 -2.19 116.97 114.83 1y2z h TYR 130 Ca 0.11 -0.10 -0.06 0.00 0.05 0.00 0.00 58.73 58.73 1y2z h TYR 130 Cb 0.57 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.23 1y2z h TYR 130 CO 0.03 0.73 -0.02 1.96 -1.05 0.00 0.00 178.16 179.80 1y2z h GLN 131 N 0.18 0.65 -0.25 4.88 1.08 0.01 0.02 115.11 121.68 1y2z h GLN 131 Ca 0.00 -0.16 -0.13 0.00 -1.45 0.00 0.00 58.65 56.91 1y2z h GLN 131 Cb 1.01 -0.08 -0.01 0.00 -0.05 0.00 0.00 27.48 28.35 1y2z h GLN 131 CO 0.08 0.68 -0.39 0.87 -0.95 0.00 0.00 178.83 179.13 1y2z h LYS 132 N 0.61 0.58 -0.07 1.46 1.57 -1.10 -2.29 116.57 117.33 1y2z h LYS 132 Ca 0.12 -0.29 -0.10 0.00 -1.87 0.00 0.00 60.65 58.52 1y2z h LYS 132 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 1y2z h LYS 132 CO 0.02 0.87 -0.33 0.28 -0.57 0.00 0.00 179.45 179.72 1y2z h VAL 133 N 0.48 1.42 -0.74 0.50 2.07 -0.83 -1.40 116.25 117.75 1y2z h VAL 133 Ca 0.04 -1.73 -0.01 0.00 0.82 0.00 0.00 66.70 65.83 1y2z h VAL 133 Cb 0.89 2.31 -0.04 0.00 -1.52 0.00 0.00 31.29 32.93 1y2z h VAL 133 CO 0.08 0.50 0.44 -0.37 0.02 0.00 0.00 177.57 178.23 1y2z h VAL 134 N -0.13 1.21 -0.18 2.57 -1.51 -1.03 0.44 116.25 117.63 1y2z h VAL 134 Ca -0.02 -0.49 -0.01 0.00 -1.23 0.00 0.00 66.70 64.96 1y2z h VAL 134 Cb 0.98 0.19 -0.01 0.00 -2.13 0.00 0.00 31.29 30.33 1y2z h VAL 134 CO 0.07 0.23 0.09 0.00 -1.23 0.00 0.00 177.57 176.73 1y2z h ALA 135 N 1.23 0.23 -0.32 5.19 0.00 -1.45 -1.11 119.26 123.03 1y2z h ALA 135 Ca 0.27 -0.07 0.06 0.00 0.00 0.00 0.00 54.91 55.16 1y2z h ALA 135 Cb -0.02 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.65 1y2z h ALA 135 CO -0.05 -0.23 -0.00 0.78 0.00 0.00 0.00 179.25 179.76 1y2z h GLY 136 N 0.17 0.31 0.85 0.00 0.00 -0.69 -0.50 103.07 103.20 1y2z h GLY 136 Ca 0.06 0.04 0.02 0.00 0.00 0.00 0.00 47.33 47.45 1y2z h GLY 136 CO -0.01 -0.07 0.10 -2.08 0.00 0.00 0.00 176.54 174.48 1y2z h VAL 137 N 0.09 0.97 -0.93 4.60 2.07 0.13 -1.13 116.25 122.06 1y2z h VAL 137 Ca 0.15 -0.08 0.03 0.00 0.82 0.00 0.00 66.70 67.62 1y2z h VAL 137 Cb 0.21 0.72 -0.05 0.00 -1.52 0.00 0.00 31.29 30.64 1y2z h VAL 137 CO -0.26 0.04 0.61 0.00 0.02 0.00 0.00 177.57 177.98 1y2z h ALA 138 N 1.14 1.39 -0.44 1.67 0.00 -0.72 -0.55 119.26 121.75 1y2z h ALA 138 Ca 0.10 -0.05 -0.07 0.00 0.00 0.00 0.00 54.91 54.89 1y2z h ALA 138 Cb 0.05 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1y2z h ALA 138 CO -0.09 0.53 -0.00 -0.91 0.00 0.00 0.00 179.25 178.78 1y2z h ASN 139 N 1.19 0.76 -0.36 0.00 2.35 -0.70 -1.86 115.58 116.96 1y2z h ASN 139 Ca 0.36 -0.31 -0.02 0.00 -0.55 0.00 0.00 56.30 55.78 1y2z h ASN 139 Cb -0.03 -0.20 -0.02 0.00 0.05 0.00 0.00 38.32 38.12 1y2z h ASN 139 CO -0.10 0.89 0.16 0.00 -1.65 0.00 0.00 177.43 176.72 1y2z h ALA 140 N 0.90 0.47 0.00 -0.83 0.00 -0.70 -1.40 119.26 117.70 1y2z h ALA 140 Ca 0.12 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 1y2z h ALA 140 Cb 0.50 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y2z h ALA 140 CO 0.02 0.06 -0.18 -0.07 0.00 0.00 0.00 179.25 179.08 1y2z h LEU 141 N 0.44 0.00 0.00 0.00 3.38 -0.96 -2.77 115.31 115.40 1y2z h LEU 141 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1y2z h LEU 141 Cb 0.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y2z h LEU 141 CO -0.01 0.18 -0.74 0.00 0.09 0.00 0.00 178.44 177.96 1y2z h ALA 142 N 1.82 0.52 -0.81 1.53 0.00 -1.04 -3.39 119.26 117.89 1y2z h ALA 142 Ca -0.00 0.00 0.18 0.00 0.00 0.00 0.00 54.91 55.08 1y2z h ALA 142 Cb 0.37 0.00 -0.11 0.00 0.00 0.00 0.00 17.79 18.05 1y2z h ALA 142 CO 0.02 0.00 0.30 1.25 0.00 0.00 0.00 179.25 180.83 1y2z h HIS 143 N 0.00 0.50 -0.34 0.00 6.17 -0.96 -2.59 115.15 117.94 1y2z h HIS 143 Ca 0.00 0.04 0.00 0.00 0.71 0.00 0.00 60.37 61.12 1y2z h HIS 143 Cb 0.77 -0.10 0.00 0.00 2.52 0.00 0.00 27.41 30.60 1y2z h HIS 143 CO 0.00 -0.02 0.00 1.63 0.71 0.00 0.00 177.93 180.25 1y2z n LYS 144 N -5.06 1.85 -2.18 5.26 4.76 -1.26 -4.94 118.16 116.59 1y2z n LYS 144 Ca 0.17 -1.31 -0.40 0.00 -2.87 0.00 0.00 58.31 53.90 1y2z n LYS 144 Cb 0.52 -1.31 -0.02 0.00 -1.84 0.00 0.00 35.03 32.38 1y2z n LYS 144 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 1y2z s TYR 145 N -1.55 3.05 0.00 2.13 2.02 -0.98 -4.79 117.35 117.23 1y2z s TYR 145 Ca 0.26 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.44 1y2z s TYR 145 Cb 0.14 -3.56 0.00 0.00 -0.40 0.00 0.00 41.96 38.13 1y2z s TYR 145 CO 0.19 -1.65 0.00 -2.39 -1.57 0.00 0.00 175.55 170.13