#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 2.67 -3.07 2.03 -0.00 -1.26 -4.97 115.22 110.61 1y2z n HIS 2 Ca 0.00 -2.71 -0.42 0.00 -0.00 0.00 0.00 57.72 54.58 1y2z n HIS 2 Cb 0.00 -1.15 -0.06 0.00 -0.00 0.00 0.00 29.99 28.78 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 -3.62 4.31 0.69 0.27 1.02 -1.26 -5.03 118.68 115.06 1y2z s LEU 3 Ca 0.37 -0.00 -0.13 0.00 0.02 0.00 0.00 54.13 54.38 1y2z s LEU 3 Cb 0.14 -2.82 0.02 0.00 0.02 0.00 0.00 46.19 43.54 1y2z s LEU 3 CO -0.03 -0.71 1.09 0.42 0.02 0.00 0.00 176.35 177.14 1y2z s THR 4 N 2.87 3.42 0.25 5.49 -4.23 -1.26 -4.76 115.64 117.43 1y2z s THR 4 Ca 0.25 0.57 -0.04 0.00 -1.18 0.00 0.00 61.69 61.29 1y2z s THR 4 Cb -0.14 -3.10 0.25 0.00 1.34 0.00 0.00 72.50 70.85 1y2z s THR 4 CO 0.17 -0.50 1.68 -0.65 -0.54 0.00 0.00 174.62 174.78 1y2z h PRO 5 N -0.40 0.25 0.00 3.99 0.11 -1.99 0.27 132.00 134.23 1y2z h PRO 5 Ca -0.45 -0.01 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1y2z h PRO 5 Cb 1.23 -0.06 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y2z h PRO 5 CO 0.54 0.16 -0.19 1.05 -0.21 0.00 0.00 178.00 179.35 1y2z h GLU 6 N 0.26 0.00 0.07 1.05 9.09 -2.00 -1.02 114.58 122.02 1y2z h GLU 6 Ca 0.44 0.00 -0.26 0.00 0.05 0.00 0.00 59.36 59.59 1y2z h GLU 6 Cb 0.77 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.88 1y2z h GLU 6 CO -0.54 0.19 -1.10 0.93 0.05 0.00 0.00 179.01 178.55 1y2z h GLU 7 N 0.00 0.41 -0.27 1.06 5.08 -0.87 -3.03 114.58 116.96 1y2z h GLU 7 Ca -0.00 -0.53 -0.12 0.00 -1.00 0.00 0.00 59.36 57.70 1y2z h GLU 7 Cb 0.46 0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.87 1y2z h GLU 7 CO 0.03 1.20 -0.35 -0.22 -1.00 0.00 0.00 179.01 178.66 1y2z h LYS 8 N 0.19 0.59 -0.32 2.33 3.64 -0.66 -1.43 116.57 120.91 1y2z h LYS 8 Ca -0.12 -0.28 -0.17 0.00 -1.27 0.00 0.00 60.65 58.82 1y2z h LYS 8 Cb 1.77 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 33.58 1y2z h LYS 8 CO 0.19 0.86 -0.46 0.66 -2.27 0.00 0.00 179.45 178.43 1y2z h SER 9 N 0.49 0.91 -0.43 4.20 4.64 -1.25 -2.78 113.55 119.35 1y2z h SER 9 Ca 0.05 -0.45 -0.11 0.00 -0.47 0.00 0.00 61.79 60.82 1y2z h SER 9 Cb 0.84 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.66 1y2z h SER 9 CO 0.07 1.23 -0.13 0.00 -0.87 0.00 0.00 176.83 177.13 1y2z h ALA 10 N 0.80 0.87 -0.07 5.18 0.00 -1.45 0.16 119.26 124.76 1y2z h ALA 10 Ca 0.04 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 1y2z h ALA 10 Cb 1.04 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1y2z h ALA 10 CO 0.10 0.64 0.01 0.28 0.00 0.00 0.00 179.25 180.29 1y2z h VAL 11 N 0.80 1.20 -0.56 0.00 2.07 -1.18 -3.00 116.25 115.57 1y2z h VAL 11 Ca 0.13 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.02 1y2z h VAL 11 Cb 0.66 1.47 -0.03 0.00 -1.52 0.00 0.00 31.29 31.87 1y2z h VAL 11 CO 0.05 0.17 0.24 0.74 0.02 0.00 0.00 177.57 178.78 1y2z h THR 12 N -0.12 1.22 -0.36 2.57 2.02 -1.47 -1.04 112.91 115.73 1y2z h THR 12 Ca 0.02 -0.66 -0.04 0.00 0.77 0.00 0.00 66.41 66.50 1y2z h THR 12 Cb 0.25 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 1y2z h THR 12 CO 0.00 0.26 0.06 0.00 0.37 0.00 0.00 175.52 176.20 1y2z h ALA 13 N 1.08 0.48 -0.33 6.16 0.00 -0.69 -2.66 119.26 123.30 1y2z h ALA 13 Ca 0.19 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.77 1y2z h ALA 13 Cb 0.17 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1y2z h ALA 13 CO -0.02 0.18 -0.25 1.25 0.00 0.00 0.00 179.25 180.41 1y2z h LEU 14 N 0.44 0.80 -2.57 0.00 5.85 -1.52 -2.63 115.31 115.67 1y2z h LEU 14 Ca 0.11 -0.45 0.00 0.00 0.84 0.00 0.00 57.88 58.38 1y2z h LEU 14 Cb 0.36 -0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.17 1y2z h LEU 14 CO 0.01 1.07 0.03 -0.25 -0.34 0.00 0.00 178.44 178.96 1y2z h TRP 15 N 0.53 0.00 -0.01 1.25 2.91 -1.08 0.12 115.95 119.67 1y2z h TRP 15 Ca 0.06 0.00 -0.07 0.00 1.13 0.00 0.00 58.89 60.01 1y2z h TRP 15 Cb 0.82 0.00 -0.01 0.00 -0.51 0.00 0.00 29.16 29.46 1y2z h TRP 15 CO 0.07 0.00 -0.35 0.78 -1.03 0.00 0.00 178.44 177.90 1y2z h GLY 16 N 0.00 0.01 0.82 2.65 0.00 -1.11 -3.14 103.07 102.30 1y2z h GLY 16 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1y2z h GLY 16 CO 0.00 0.01 -0.46 0.28 0.00 0.00 0.00 176.54 176.37 1y2z n LYS 17 N -4.12 0.17 -2.68 4.80 5.02 0.41 -4.95 118.16 116.82 1y2z n LYS 17 Ca -0.02 -0.10 -0.40 0.00 -2.02 0.00 0.00 58.31 55.77 1y2z n LYS 17 Cb 0.39 -1.50 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 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 -2.90 3.93 -0.75 -0.18 1.01 -1.19 -5.02 120.40 115.30 1y2z s VAL 18 Ca 0.14 1.88 -0.13 0.00 0.00 0.00 0.00 61.98 63.87 1y2z s VAL 18 Cb 0.18 -4.17 0.20 0.00 0.00 0.00 0.00 36.38 32.58 1y2z s VAL 18 CO 0.67 0.40 0.67 0.21 0.00 0.00 0.00 175.10 177.05 1y2z s ASN 19 N -1.17 6.45 0.45 3.32 3.84 -1.26 -4.93 114.94 121.63 1y2z s ASN 19 Ca 0.44 -2.56 0.19 0.00 0.21 0.00 0.00 52.86 51.13 1y2z s ASN 19 Cb -0.26 -2.16 1.15 0.00 -0.55 0.00 0.00 41.25 39.43 1y2z s ASN 19 CO 0.33 -0.59 1.91 -0.37 -2.79 0.00 0.00 177.10 175.60 1y2z h VAL 20 N 5.04 0.74 0.12 -5.21 -1.51 -1.95 0.10 116.25 113.58 1y2z h VAL 20 Ca 0.02 -0.11 0.02 0.00 -1.23 0.00 0.00 66.70 65.40 1y2z h VAL 20 Cb 1.04 0.39 -0.03 0.00 -2.13 0.00 0.00 31.29 30.56 1y2z h VAL 20 CO 0.79 0.06 -0.27 0.44 -1.23 0.00 0.00 177.57 177.36 1y2z h ASP 21 N 0.32 -0.77 0.22 4.19 3.32 -1.91 -0.19 116.42 121.60 1y2z h ASP 21 Ca 0.38 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 57.51 1y2z h ASP 21 Cb 1.02 0.29 0.00 0.00 0.22 0.00 0.00 39.33 40.86 1y2z h ASP 21 CO -0.10 -0.36 -0.11 -0.08 -1.72 0.00 0.00 179.24 176.87 1y2z h GLU 22 N -0.48 -0.28 -0.94 3.56 4.81 -1.59 -3.04 114.58 116.62 1y2z h GLU 22 Ca 0.03 0.02 0.02 0.00 -0.13 0.00 0.00 59.36 59.29 1y2z h GLU 22 Cb 0.51 0.06 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1y2z h GLU 22 CO -0.16 0.05 0.62 0.28 -0.73 0.00 0.00 179.01 179.07 1y2z h VAL 23 N -0.64 1.22 -0.60 0.32 2.07 -0.86 -2.37 116.25 115.39 1y2z h VAL 23 Ca -0.03 -0.43 0.05 0.00 0.82 0.00 0.00 66.70 67.11 1y2z h VAL 23 Cb 0.46 -0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.04 1y2z h VAL 23 CO 0.05 0.23 0.32 1.23 0.02 0.00 0.00 177.57 179.42 1y2z h GLY 24 N 1.25 0.87 0.93 2.17 0.00 -1.07 -0.48 103.07 106.74 1y2z h GLY 24 Ca 0.35 -0.22 -0.09 0.00 0.00 0.00 0.00 47.33 47.37 1y2z h GLY 24 CO -0.09 0.14 -0.13 -1.33 0.00 0.00 0.00 176.54 175.13 1y2z h GLY 25 N 0.61 0.71 0.89 4.60 0.00 -1.36 -2.33 103.07 106.20 1y2z h GLY 25 Ca 0.27 -0.63 -0.03 0.00 0.00 0.00 0.00 47.33 46.94 1y2z h GLY 25 CO -0.17 0.57 0.06 0.83 0.00 0.00 0.00 176.54 177.83 1y2z h GLU 26 N 0.42 0.50 -0.01 4.80 4.39 -1.22 -0.04 114.58 123.43 1y2z h GLU 26 Ca 0.07 -0.13 -0.00 0.00 0.34 0.00 0.00 59.36 59.64 1y2z h GLU 26 Cb 0.65 -0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.24 1y2z h GLU 26 CO 0.04 0.59 0.00 0.00 -1.16 0.00 0.00 179.01 178.49 1y2z h ALA 27 N 0.89 0.02 -0.24 3.43 0.00 -1.12 -0.13 119.26 122.11 1y2z h ALA 27 Ca 0.09 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1y2z h ALA 27 Cb 0.33 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1y2z h ALA 27 CO 0.00 -0.35 0.08 1.25 0.00 0.00 0.00 179.25 180.23 1y2z h LEU 28 N -0.23 0.34 0.16 0.00 5.85 -1.44 -1.61 115.31 118.38 1y2z h LEU 28 Ca 0.00 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.54 1y2z h LEU 28 Cb 0.26 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 1y2z h LEU 28 CO 0.00 0.44 -0.20 1.23 -0.34 0.00 0.00 178.44 179.57 1y2z h GLY 29 N 0.22 -0.41 1.12 3.75 0.00 -0.99 -2.33 103.07 104.44 1y2z h GLY 29 Ca 0.08 0.23 0.09 0.00 0.00 0.00 0.00 47.33 47.73 1y2z h GLY 29 CO -0.00 -0.19 0.38 3.21 0.00 0.00 0.00 176.54 179.94 1y2z h ARG 30 N -0.41 0.39 -0.32 4.80 3.08 -0.97 -1.67 114.38 119.28 1y2z h ARG 30 Ca 0.01 -0.02 -0.06 0.00 0.07 0.00 0.00 59.98 59.98 1y2z h ARG 30 Cb 0.41 -0.09 -0.01 0.00 0.08 0.00 0.00 29.97 30.36 1y2z h ARG 30 CO -0.07 0.26 -0.04 1.25 -1.07 0.00 0.00 179.97 180.30 1y2z h LEU 31 N 0.40 0.59 -1.49 3.04 5.85 -0.82 0.58 115.31 123.46 1y2z h LEU 31 Ca 0.26 -0.34 -0.05 0.00 0.84 0.00 0.00 57.88 58.59 1y2z h LEU 31 Cb 0.48 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.35 1y2z h LEU 31 CO -0.07 0.78 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.51 1y2z h LEU 32 N 0.38 0.00 0.00 2.25 3.38 -0.81 -1.45 115.31 119.06 1y2z h LEU 32 Ca 0.09 0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.96 1y2z h LEU 32 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 1y2z h LEU 32 CO 0.02 0.23 -0.56 0.58 0.09 0.00 0.00 178.44 178.81 1y2z h VAL 33 N 0.00 1.28 -0.34 1.22 2.07 -1.31 -3.29 116.25 115.88 1y2z h VAL 33 Ca -0.00 -2.17 -0.14 0.00 0.82 0.00 0.00 66.70 65.21 1y2z h VAL 33 Cb 0.55 2.63 -0.01 0.00 -1.52 0.00 0.00 31.29 32.94 1y2z h VAL 33 CO 0.03 0.43 -0.34 1.23 0.02 0.00 0.00 177.57 178.94 1y2z h GLY 34 N -1.00 0.82 -6.45 2.17 0.00 -0.81 -3.37 103.07 94.44 1y2z h GLY 34 Ca -0.15 -0.79 -0.59 0.00 0.00 0.00 0.00 47.33 45.79 1y2z h GLY 34 CO -0.09 0.72 -0.80 -1.72 0.00 0.00 0.00 176.54 174.65 1y2z n TYR 35 N -4.06 1.45 0.33 5.60 4.01 -0.55 -4.97 117.16 118.96 1y2z n TYR 35 Ca -0.01 -3.85 0.18 0.00 -0.16 0.00 0.00 57.90 54.06 1y2z n TYR 35 Cb 0.50 -0.31 0.95 0.00 -0.31 0.00 0.00 39.34 40.18 1y2z n TYR 35 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1y2z h PRO 36 N 4.88 0.00 0.00 -0.72 0.13 -1.73 -0.30 132.00 134.26 1y2z h PRO 36 Ca 0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 65.28 1y2z h PRO 36 Cb 0.80 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.93 1y2z h PRO 36 CO 0.60 0.00 -0.11 0.11 -0.23 0.00 0.00 178.00 178.36 1y2z h TRP 37 N 0.00 0.00 0.00 1.56 0.09 -1.91 -1.08 115.95 114.61 1y2z h TRP 37 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.89 58.98 1y2z h TRP 37 Cb 0.45 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.69 1y2z h TRP 37 CO 0.00 0.11 0.00 0.25 0.09 0.00 0.00 178.44 178.89 1y2z n THR 38 N -4.33 1.05 0.60 0.12 -2.24 -0.12 -1.85 114.28 107.51 1y2z n THR 38 Ca -0.03 0.52 0.07 0.00 -2.27 0.00 0.00 64.05 62.35 1y2z n THR 38 Cb 0.19 -1.49 0.34 0.00 -2.10 0.00 0.00 70.33 67.27 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 -2.15 0.11 0.31 -0.78 6.02 -0.41 -3.11 117.38 117.36 1y2z n GLN 39 Ca 0.00 0.20 0.17 0.00 -0.01 0.00 0.00 57.00 57.36 1y2z n GLN 39 Cb 0.10 -1.50 0.99 0.00 1.02 0.00 0.00 30.24 30.85 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 -1.57 -2.02 114.38 109.80 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 0.19 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.27 1y2z h ARG 40 CO 0.00 0.01 -0.42 1.19 0.10 0.00 0.00 179.97 180.84 1y2z n PHE 41 N -3.63 0.00 -2.32 4.08 3.01 -1.18 -4.42 117.46 113.00 1y2z n PHE 41 Ca -0.03 0.00 -0.24 0.00 1.01 0.00 0.00 57.45 58.19 1y2z n PHE 41 Cb 0.09 -0.24 0.01 0.00 -0.01 0.00 0.00 39.48 39.33 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 -1.35 2.93 0.70 1.38 3.01 -0.76 -4.80 117.46 118.57 1y2z n PHE 42 Ca 0.07 -2.70 0.10 0.00 1.01 0.00 0.00 57.45 55.93 1y2z n PHE 42 Cb 0.34 -0.21 0.43 0.00 -0.01 0.00 0.00 39.48 40.03 1y2z n PHE 42 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1y2z n GLU 43 N -0.55 0.01 0.00 -1.08 0.28 -1.26 -2.35 120.64 115.69 1y2z n GLU 43 Ca 0.38 0.15 0.13 0.00 -0.16 0.00 0.00 57.16 57.66 1y2z n GLU 43 Cb 0.80 -1.50 0.34 0.00 1.43 0.00 0.00 31.44 32.50 1y2z n GLU 43 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1y2z n SER 44 N -1.49 2.13 0.04 -1.84 3.41 -1.26 -3.96 113.62 110.63 1y2z n SER 44 Ca 0.05 -1.70 0.13 0.00 -0.26 0.00 0.00 58.87 57.09 1y2z n SER 44 Cb 0.23 0.01 0.43 0.00 -0.26 0.00 0.00 64.21 64.62 1y2z n SER 44 CO 0.00 0.00 0.00 0.49 -0.16 0.00 0.00 175.04 175.37 1y2z n PHE 45 N 0.64 0.32 -1.22 7.33 0.99 -0.99 -5.04 117.46 119.49 1y2z n PHE 45 Ca 0.17 0.09 0.00 0.00 -0.00 0.00 0.00 57.45 57.71 1y2z n PHE 45 Cb 0.46 -0.59 0.00 0.00 -1.00 0.00 0.00 39.48 38.35 1y2z n PHE 45 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1y2z n GLY 46 N 1.43 0.82 3.60 1.37 0.00 -1.25 -4.81 105.19 106.34 1y2z n GLY 46 Ca 0.06 -1.43 -0.43 0.00 0.00 0.00 0.00 46.02 44.22 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 6.11 -0.09 1.61 3.68 -1.26 -4.84 116.67 117.88 1y2z s ASP 47 Ca 0.00 1.15 0.13 0.00 2.13 0.00 0.00 52.55 55.96 1y2z s ASP 47 Cb 0.00 -2.53 0.20 0.00 -1.45 0.00 0.00 42.92 39.14 1y2z s ASP 47 CO 0.00 -1.56 1.10 0.18 0.13 0.00 0.00 175.17 175.02 1y2z n LEU 48 N 9.55 1.65 0.26 -1.34 4.77 -1.26 -4.17 117.00 126.45 1y2z n LEU 48 Ca 0.20 -2.44 0.09 0.00 -0.03 0.00 0.00 56.01 53.83 1y2z n LEU 48 Cb 0.47 -0.29 0.66 0.00 -2.33 0.00 0.00 43.42 41.93 1y2z n LEU 48 CO 0.69 0.57 1.06 0.77 -1.33 0.00 0.00 177.39 179.15 1y2z h SER 49 N 0.00 0.00 -5.30 -1.43 4.64 -1.90 -3.44 113.55 106.13 1y2z h SER 49 Ca 0.00 0.00 -0.26 0.00 -0.47 0.00 0.00 61.79 61.06 1y2z h SER 49 Cb 1.10 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 63.05 1y2z h SER 49 CO 0.00 0.02 -0.62 0.42 -0.87 0.00 0.00 176.83 175.77 1y2z s THR 50 N -4.98 0.16 0.19 2.95 -4.23 -1.26 -5.02 115.64 103.44 1y2z s THR 50 Ca -0.05 -1.99 -0.12 0.00 -1.18 0.00 0.00 61.69 58.36 1y2z s THR 50 Cb 0.17 -2.45 0.11 0.00 1.34 0.00 0.00 72.50 71.67 1y2z s THR 50 CO 0.66 -0.09 1.76 -0.65 -0.54 0.00 0.00 174.62 175.76 1y2z h PRO 51 N 2.61 0.42 -0.53 3.99 0.11 -1.99 -0.55 132.00 136.07 1y2z h PRO 51 Ca -0.36 -0.03 -0.11 0.00 0.11 0.00 0.00 66.00 65.61 1y2z h PRO 51 Cb 1.24 -0.10 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1y2z h PRO 51 CO 0.56 0.28 -0.11 -0.44 -0.21 0.00 0.00 178.00 178.08 1y2z h ASP 52 N 0.44 0.99 -0.37 -2.05 3.32 -1.97 0.24 116.42 117.02 1y2z h ASP 52 Ca 0.26 -0.32 -0.01 0.00 0.02 0.00 0.00 57.03 56.97 1y2z h ASP 52 Cb 0.25 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 1y2z h ASP 52 CO -0.23 1.10 0.20 0.00 -1.72 0.00 0.00 179.24 178.60 1y2z h ALA 53 N 0.98 1.62 0.00 3.45 0.00 -1.71 -1.00 119.26 122.61 1y2z h ALA 53 Ca 0.14 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1y2z h ALA 53 Cb 0.66 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1y2z h ALA 53 CO 0.05 0.32 -0.00 0.28 0.00 0.00 0.00 179.25 179.90 1y2z h VAL 54 N 0.55 0.19 -0.81 0.00 2.07 -0.67 -3.08 116.25 114.49 1y2z h VAL 54 Ca 0.14 -1.14 0.16 0.00 0.82 0.00 0.00 66.70 66.68 1y2z h VAL 54 Cb 0.04 0.36 -0.06 0.00 -1.52 0.00 0.00 31.29 30.11 1y2z h VAL 54 CO -0.02 0.06 0.54 0.24 0.02 0.00 0.00 177.57 178.41 1y2z h MET 55 N -1.00 0.43 -0.00 1.57 2.07 -0.52 -2.66 114.93 114.82 1y2z h MET 55 Ca -0.00 -0.03 0.00 0.00 -2.07 0.00 0.00 59.70 57.60 1y2z h MET 55 Cb 0.10 -0.10 0.00 0.00 -1.87 0.00 0.00 31.60 29.74 1y2z h MET 55 CO 0.00 0.28 -0.84 0.41 1.07 0.00 0.00 176.91 177.84 1y2z n GLY 56 N -1.51 -0.98 3.66 8.32 0.00 -0.38 -4.85 105.19 109.45 1y2z n GLY 56 Ca 0.16 -0.54 -0.43 0.00 0.00 0.00 0.00 46.02 45.20 1y2z n GLY 56 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1y2z n ASN 57 N -1.38 3.95 -0.19 1.61 2.85 -1.01 -4.86 115.26 116.23 1y2z n ASN 57 Ca 0.05 0.85 0.10 0.00 -0.11 0.00 0.00 54.58 55.48 1y2z n ASN 57 Cb 0.34 -1.50 0.41 0.00 1.24 0.00 0.00 39.78 40.27 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 10.74 0.61 -0.52 1.20 0.13 -1.91 -1.76 132.00 140.48 1y2z h PRO 58 Ca -0.49 -0.04 -0.10 0.00 -0.87 0.00 0.00 66.00 64.50 1y2z h PRO 58 Cb 1.25 -0.14 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1y2z h PRO 58 CO 0.94 0.40 -0.09 0.87 -0.23 0.00 0.00 178.00 179.89 1y2z h LYS 59 N 0.62 0.95 -0.53 0.86 1.57 -1.89 -2.06 116.57 116.10 1y2z h LYS 59 Ca 0.36 -0.33 -0.11 0.00 -1.87 0.00 0.00 60.65 58.69 1y2z h LYS 59 Cb 0.54 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.77 1y2z h LYS 59 CO -0.13 1.00 -0.11 0.28 -0.57 0.00 0.00 179.45 179.91 1y2z h VAL 60 N 0.86 1.27 -0.40 0.50 2.07 -1.66 -1.43 116.25 117.45 1y2z h VAL 60 Ca 0.14 -1.26 -0.03 0.00 0.82 0.00 0.00 66.70 66.36 1y2z h VAL 60 Cb 0.63 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 31.38 1y2z h VAL 60 CO 0.04 0.44 0.12 0.11 0.02 0.00 0.00 177.57 178.31 1y2z h LYS 61 N 0.87 0.63 -0.48 1.57 1.57 -1.26 0.38 116.57 119.86 1y2z h LYS 61 Ca 0.14 -0.14 -0.07 0.00 -1.87 0.00 0.00 60.65 58.71 1y2z h LYS 61 Cb 0.68 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 1y2z h LYS 61 CO 0.05 0.63 0.04 0.00 -0.57 0.00 0.00 179.45 179.60 1y2z h ALA 62 N 0.97 0.65 -0.20 3.86 0.00 -1.28 -2.50 119.26 120.76 1y2z h ALA 62 Ca 0.13 -0.26 -0.08 0.00 0.00 0.00 0.00 54.91 54.70 1y2z h ALA 62 Cb 0.27 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 1y2z h ALA 62 CO -0.00 0.42 -0.18 1.25 0.00 0.00 0.00 179.25 180.74 1y2z h HIS 63 N 0.69 0.56 -0.81 0.00 -0.00 -1.19 -2.77 115.15 111.62 1y2z h HIS 63 Ca 0.14 -0.16 0.15 0.00 -0.00 0.00 0.00 60.37 60.50 1y2z h HIS 63 Cb 0.46 -0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 27.65 1y2z h HIS 63 CO 0.03 0.82 0.37 0.78 -0.00 0.00 0.00 177.93 179.93 1y2z h GLY 64 N 0.14 1.29 1.32 5.26 0.00 -0.87 0.12 103.07 110.32 1y2z h GLY 64 Ca 0.03 -0.19 -0.10 0.00 0.00 0.00 0.00 47.33 47.07 1y2z h GLY 64 CO 0.05 -0.09 -0.12 1.70 0.00 0.00 0.00 176.54 178.08 1y2z h LYS 65 N 0.52 0.80 0.25 4.80 3.64 -1.43 -0.83 116.57 124.32 1y2z h LYS 65 Ca 0.45 -0.27 -0.01 0.00 -1.27 0.00 0.00 60.65 59.54 1y2z h LYS 65 Cb 0.68 -0.06 0.00 0.00 -0.41 0.00 0.00 32.23 32.44 1y2z h LYS 65 CO -0.40 0.89 -0.12 -0.22 -2.27 0.00 0.00 179.45 177.33 1y2z h LYS 66 N 0.72 -0.32 -0.39 1.90 3.64 -0.79 -0.29 116.57 121.04 1y2z h LYS 66 Ca 0.12 0.02 0.07 0.00 -1.27 0.00 0.00 60.65 59.59 1y2z h LYS 66 Cb 0.61 0.07 -0.06 0.00 -0.41 0.00 0.00 32.23 32.44 1y2z h LYS 66 CO 0.04 -0.01 0.02 0.28 -2.27 0.00 0.00 179.45 177.51 1y2z h VAL 67 N -0.64 0.73 0.00 2.00 2.07 -0.73 -0.59 116.25 119.09 1y2z h VAL 67 Ca -0.03 -0.05 -0.05 0.00 0.82 0.00 0.00 66.70 67.39 1y2z h VAL 67 Cb 0.46 0.58 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1y2z h VAL 67 CO 0.06 0.02 -0.23 -0.07 0.02 0.00 0.00 177.57 177.37 1y2z h LEU 68 N 0.14 0.00 0.06 2.57 3.38 -1.13 -1.78 115.31 118.55 1y2z h LEU 68 Ca 0.19 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 1y2z h LEU 68 Cb 0.26 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.01 1y2z h LEU 68 CO -0.30 0.23 -0.03 1.23 0.09 0.00 0.00 178.44 179.66 1y2z h GLY 69 N 2.10 -0.09 1.06 0.83 0.00 0.48 0.10 103.07 107.55 1y2z h GLY 69 Ca -0.00 0.03 -0.06 0.00 0.00 0.00 0.00 47.33 47.30 1y2z h GLY 69 CO 0.03 -0.03 0.24 0.00 0.00 0.00 0.00 176.54 176.78 1y2z h ALA 70 N 0.72 0.99 -0.56 3.60 0.00 -1.00 -2.44 119.26 120.57 1y2z h ALA 70 Ca -0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1y2z h ALA 70 Cb 0.18 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.65 1y2z h ALA 70 CO 0.01 0.67 0.31 0.35 0.00 0.00 0.00 179.25 180.59 1y2z h PHE 71 N 1.12 0.76 -0.98 0.00 3.57 -1.13 -2.15 116.94 118.13 1y2z h PHE 71 Ca 0.24 -0.02 0.01 0.00 3.53 0.00 0.00 57.97 61.74 1y2z h PHE 71 Cb 0.30 -0.24 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 1y2z h PHE 71 CO 0.03 0.55 0.64 0.77 -2.23 0.00 0.00 178.31 178.07 1y2z h SER 72 N 0.75 1.14 -0.11 0.41 0.02 -0.48 -1.17 113.55 114.10 1y2z h SER 72 Ca 0.20 -0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 61.06 1y2z h SER 72 Cb 0.04 -0.29 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1y2z h SER 72 CO -0.03 0.84 -0.05 0.44 -1.14 0.00 0.00 176.83 176.89 1y2z h ASP 73 N 1.34 0.35 -0.47 3.07 5.19 -0.98 -1.89 116.42 123.02 1y2z h ASP 73 Ca 0.36 -0.06 -0.04 0.00 -0.62 0.00 0.00 57.03 56.66 1y2z h ASP 73 Cb -0.14 -0.09 -0.02 0.00 0.18 0.00 0.00 39.33 39.26 1y2z h ASP 73 CO -0.08 0.45 0.15 1.23 -3.12 0.00 0.00 179.24 177.87 1y2z h GLY 74 N 0.75 0.85 2.00 2.75 0.00 -0.61 -2.26 103.07 106.55 1y2z h GLY 74 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 47.33 46.94 1y2z h GLY 74 CO 0.01 0.44 0.00 1.04 0.00 0.00 0.00 176.54 178.03 1y2z n LEU 75 N -4.30 0.17 -0.51 3.11 4.77 -0.71 -1.71 117.00 117.82 1y2z n LEU 75 Ca 0.04 0.55 0.11 0.00 -0.03 0.00 0.00 56.01 56.68 1y2z n LEU 75 Cb 0.20 -0.53 0.02 0.00 -2.33 0.00 0.00 43.42 40.79 1y2z n LEU 75 CO 0.39 -0.37 0.34 0.00 -1.33 0.00 0.00 177.39 176.42 1y2z n ALA 76 N -1.57 3.48 -2.65 -1.18 0.00 -0.85 -4.35 120.51 113.39 1y2z n ALA 76 Ca 0.03 -0.63 -0.08 0.00 0.00 0.00 0.00 53.44 52.75 1y2z n ALA 76 Cb 0.16 -0.81 0.04 0.00 0.00 0.00 0.00 19.45 18.83 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 0.01 1.59 0.27 0.00 8.25 -0.70 -4.89 115.22 119.75 1y2z n HIS 77 Ca 0.10 -2.42 0.15 0.00 -0.26 0.00 0.00 57.72 55.29 1y2z n HIS 77 Cb 0.47 -0.28 0.79 0.00 1.12 0.00 0.00 29.99 32.10 1y2z n HIS 77 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 1y2z h LEU 78 N 2.67 0.00 0.05 2.41 5.85 -1.72 0.25 115.31 124.82 1y2z h LEU 78 Ca -0.03 0.00 -0.24 0.00 0.84 0.00 0.00 57.88 58.45 1y2z h LEU 78 Cb 1.25 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 42.26 1y2z h LEU 78 CO 0.40 0.00 -1.17 0.44 -0.34 0.00 0.00 178.44 177.78 1y2z h ASP 79 N 0.00 0.18 -2.01 1.25 3.45 -1.90 -3.40 116.42 113.99 1y2z h ASP 79 Ca 0.00 -0.20 -0.54 0.00 0.43 0.00 0.00 57.03 56.71 1y2z h ASP 79 Cb 0.32 -0.06 -0.39 0.00 -0.56 0.00 0.00 39.33 38.63 1y2z h ASP 79 CO 0.00 1.16 -1.10 -3.20 -1.57 0.00 0.00 179.24 174.53 1y2z n ASN 80 N -3.41 0.52 -0.10 6.45 5.15 0.85 -4.94 115.26 119.79 1y2z n ASN 80 Ca -0.05 -2.81 -0.12 0.00 -0.60 0.00 0.00 54.58 51.00 1y2z n ASN 80 Cb 0.98 -0.64 -0.04 0.00 -0.53 0.00 0.00 39.78 39.56 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 3.77 0.64 -0.52 1.20 3.38 -1.76 -0.81 115.31 121.23 1y2z h LEU 81 Ca 0.08 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.69 1y2z h LEU 81 Cb 0.89 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.41 1y2z h LEU 81 CO 0.49 0.91 0.25 0.11 0.09 0.00 0.00 178.44 180.29 1y2z h LYS 82 N 0.38 0.48 0.26 1.13 1.57 -1.91 0.22 116.57 118.70 1y2z h LYS 82 Ca 0.07 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.80 1y2z h LYS 82 Cb 0.67 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.87 1y2z h LYS 82 CO 0.04 0.32 -0.13 0.78 -0.57 0.00 0.00 179.45 179.90 1y2z h GLY 83 N 0.49 -0.37 0.03 3.86 0.00 -1.94 -2.22 103.07 102.93 1y2z h GLY 83 Ca 0.23 0.14 0.11 0.00 0.00 0.00 0.00 47.33 47.81 1y2z h GLY 83 CO -0.17 -0.13 -0.02 -0.84 0.00 0.00 0.00 176.54 175.38 1y2z h THR 84 N -0.55 0.53 -0.26 4.70 2.02 -0.69 -2.77 112.91 115.89 1y2z h THR 84 Ca -0.04 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.11 1y2z h THR 84 Cb 0.40 0.43 0.00 0.00 -1.74 0.00 0.00 68.15 67.24 1y2z h THR 84 CO 0.06 0.02 0.00 0.49 0.37 0.00 0.00 175.52 176.46 1y2z n PHE 85 N -5.28 0.34 -0.17 3.16 3.01 0.72 -4.63 117.46 114.61 1y2z n PHE 85 Ca 0.07 -0.17 -0.05 0.00 1.01 0.00 0.00 57.45 58.31 1y2z n PHE 85 Cb 0.31 0.00 0.05 0.00 -0.01 0.00 0.00 39.48 39.83 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 4.10 0.65 -0.05 4.37 0.00 -1.10 0.22 119.26 127.46 1y2z h ALA 86 Ca 0.00 0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.79 1y2z h ALA 86 Cb 0.61 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1y2z h ALA 86 CO 0.00 -0.05 -0.55 1.79 0.00 0.00 0.00 179.25 180.44 1y2z h THR 87 N 0.55 1.38 -0.26 0.00 1.35 -1.82 -2.49 112.91 111.61 1y2z h THR 87 Ca 0.22 -1.87 -0.14 0.00 -0.55 0.00 0.00 66.41 64.07 1y2z h THR 87 Cb 0.09 1.95 -0.00 0.00 -1.73 0.00 0.00 68.15 68.46 1y2z h THR 87 CO -0.13 0.55 -0.37 0.25 -0.25 0.00 0.00 175.52 175.57 1y2z h LEU 88 N 0.12 0.77 -0.37 3.87 5.85 -1.80 -1.57 115.31 122.19 1y2z h LEU 88 Ca -0.00 -0.51 0.05 0.00 0.84 0.00 0.00 57.88 58.26 1y2z h LEU 88 Cb 1.01 -0.22 -0.04 0.00 0.37 0.00 0.00 40.66 41.78 1y2z h LEU 88 CO 0.08 1.13 0.10 -1.28 -0.34 0.00 0.00 178.44 178.13 1y2z h SER 89 N 0.43 0.08 -0.69 1.25 0.87 -0.45 -0.49 113.55 114.54 1y2z h SER 89 Ca 0.03 0.05 0.01 0.00 -1.23 0.00 0.00 61.79 60.64 1y2z h SER 89 Cb 0.96 0.05 -0.03 0.00 -0.44 0.00 0.00 62.40 62.93 1y2z h SER 89 CO 0.09 0.08 0.46 -0.33 -0.53 0.00 0.00 176.83 176.60 1y2z h GLU 90 N 0.24 0.90 -0.11 2.24 5.08 -1.31 -2.18 114.58 119.45 1y2z h GLU 90 Ca 0.17 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1y2z h GLU 90 Cb 0.17 -0.20 -0.00 0.00 0.50 0.00 0.00 28.75 29.21 1y2z h GLU 90 CO -0.20 0.60 0.05 1.25 -1.00 0.00 0.00 179.01 179.71 1y2z h LEU 91 N 0.93 0.14 -1.28 1.33 5.85 -0.78 0.14 115.31 121.65 1y2z h LEU 91 Ca 0.26 -0.14 0.03 0.00 0.84 0.00 0.00 57.88 58.87 1y2z h LEU 91 Cb -0.10 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.85 1y2z h LEU 91 CO -0.06 0.24 0.50 0.45 -0.34 0.00 0.00 178.44 179.23 1y2z h HIS 92 N 0.04 0.91 0.03 1.25 3.86 -0.94 0.23 115.15 120.53 1y2z h HIS 92 Ca 0.04 0.02 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 1y2z h HIS 92 Cb 0.14 -0.31 0.00 0.00 1.06 0.00 0.00 27.41 28.30 1y2z h HIS 92 CO -0.03 0.54 -0.02 0.00 0.86 0.00 0.00 177.93 179.29 1y2z h ASP 94 N -0.10 0.53 0.00 0.00 3.32 -0.75 -2.85 116.42 116.57 1y2z h ASP 94 Ca -0.00 -0.23 -0.29 0.00 0.02 0.00 0.00 57.03 56.52 1y2z h ASP 94 Cb 0.03 -0.15 -0.05 0.00 0.22 0.00 0.00 39.33 39.39 1y2z h ASP 94 CO 0.01 0.87 -2.05 0.29 -1.72 0.00 0.00 179.24 176.64 1y2z n LYS 95 N -4.04 0.43 0.07 3.56 4.01 0.72 -4.73 118.16 118.19 1y2z n LYS 95 Ca -0.01 0.13 0.00 0.00 -0.51 0.00 0.00 58.31 57.92 1y2z n LYS 95 Cb 0.50 -1.29 -0.04 0.00 -0.51 0.00 0.00 35.03 33.69 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 -0.28 0.00 -1.73 -0.35 3.38 -1.30 -3.49 115.31 111.54 1y2z h LEU 96 Ca -0.44 0.00 -0.39 0.00 0.09 0.00 0.00 57.88 57.14 1y2z h LEU 96 Cb 1.54 0.00 0.09 0.00 0.09 0.00 0.00 40.66 42.38 1y2z h LEU 96 CO -0.16 0.57 -0.81 1.41 0.09 0.00 0.00 178.44 179.54 1y2z n HIS 97 N -3.04 -2.00 -3.31 1.13 8.25 0.13 -4.96 115.22 111.42 1y2z n HIS 97 Ca -0.05 0.87 -0.41 0.00 -0.26 0.00 0.00 57.72 57.87 1y2z n HIS 97 Cb 0.81 -4.60 -0.08 0.00 1.12 0.00 0.00 29.99 27.23 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 -3.57 5.08 0.02 1.59 1.01 -0.31 -5.02 120.40 119.20 1y2z s VAL 98 Ca 0.01 0.13 -0.33 0.00 0.00 0.00 0.00 61.98 61.79 1y2z s VAL 98 Cb -0.00 -3.93 -0.12 0.00 0.00 0.00 0.00 36.38 32.33 1y2z s VAL 98 CO 0.79 -0.21 1.83 -0.67 0.00 0.00 0.00 175.10 176.83 1y2z n ASP 99 N 5.61 3.60 0.30 3.32 4.64 -1.26 -4.72 116.55 128.03 1y2z n ASP 99 Ca -0.07 0.99 0.19 0.00 -1.38 0.00 0.00 54.79 54.52 1y2z n ASP 99 Cb 0.49 -1.44 0.96 0.00 -1.04 0.00 0.00 41.12 40.09 1y2z n ASP 99 CO 0.00 0.00 0.00 -0.65 -0.82 0.00 0.00 177.20 175.73 1y2z h PRO 100 N 8.66 0.00 -0.19 -0.67 0.11 -1.96 -1.07 132.00 136.88 1y2z h PRO 100 Ca -0.48 0.00 0.05 0.00 0.11 0.00 0.00 66.00 65.69 1y2z h PRO 100 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1y2z h PRO 100 CO 0.94 0.00 0.17 1.49 -0.21 0.00 0.00 178.00 180.39 1y2z h GLU 101 N 0.00 0.00 -0.64 1.05 4.57 -1.98 0.03 114.58 117.61 1y2z h GLU 101 Ca 0.03 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.21 1y2z h GLU 101 Cb 0.40 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 28.95 1y2z h GLU 101 CO -0.00 0.00 0.42 -0.91 -1.18 0.00 0.00 179.01 177.34 1y2z h ASN 102 N 0.00 0.73 -0.09 1.04 4.21 -1.56 -1.22 115.58 118.70 1y2z h ASN 102 Ca 0.09 -0.02 -0.07 0.00 1.21 0.00 0.00 56.30 57.51 1y2z h ASN 102 Cb 0.43 -0.18 -0.01 0.00 -1.12 0.00 0.00 38.32 37.43 1y2z h ASN 102 CO -0.00 0.53 -0.15 -0.26 -1.29 0.00 0.00 177.43 176.26 1y2z h PHE 103 N 0.87 0.48 0.05 1.19 0.04 -1.17 -1.60 116.94 116.79 1y2z h PHE 103 Ca 0.23 -0.07 -0.24 0.00 2.80 0.00 0.00 57.97 60.69 1y2z h PHE 103 Cb -0.10 -0.13 -0.00 0.00 2.20 0.00 0.00 35.95 37.93 1y2z h PHE 103 CO 0.00 0.58 -1.04 0.07 -0.60 0.00 0.00 178.31 177.31 1y2z h ARG 104 N 0.41 0.29 -0.10 1.51 0.11 -1.22 -2.38 114.38 113.00 1y2z h ARG 104 Ca 0.07 -0.38 -0.00 0.00 0.10 0.00 0.00 59.98 59.77 1y2z h ARG 104 Cb 0.51 0.13 -0.00 0.00 1.11 0.00 0.00 29.97 31.71 1y2z h ARG 104 CO 0.03 1.11 0.06 -0.07 0.10 0.00 0.00 179.97 181.20 1y2z h LEU 105 N 0.13 0.13 -1.05 0.08 3.38 -1.18 -2.08 115.31 114.72 1y2z h LEU 105 Ca -0.09 -0.06 0.07 0.00 0.09 0.00 0.00 57.88 57.89 1y2z h LEU 105 Cb 1.72 -0.03 -0.07 0.00 0.09 0.00 0.00 40.66 42.37 1y2z h LEU 105 CO 0.17 0.15 0.63 0.25 0.09 0.00 0.00 178.44 179.73 1y2z h LEU 106 N 0.09 1.00 -0.66 1.67 5.85 -1.33 -1.82 115.31 120.11 1y2z h LEU 106 Ca 0.04 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.77 1y2z h LEU 106 Cb 0.05 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.84 1y2z h LEU 106 CO -0.01 0.63 0.43 1.23 -0.34 0.00 0.00 178.44 180.39 1y2z h GLY 107 N 1.13 0.94 1.06 3.75 0.00 -0.99 0.19 103.07 109.14 1y2z h GLY 107 Ca 0.42 -0.36 -0.10 0.00 0.00 0.00 0.00 47.33 47.30 1y2z h GLY 107 CO -0.17 0.35 -0.04 3.43 0.00 0.00 0.00 176.54 180.11 1y2z h ASN 108 N 0.90 0.97 -0.20 0.19 2.35 -0.75 -1.55 115.58 117.49 1y2z h ASN 108 Ca 0.24 -0.32 -0.00 0.00 -0.55 0.00 0.00 56.30 55.67 1y2z h ASN 108 Cb -0.09 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.01 1y2z h ASN 108 CO -0.05 1.06 0.12 0.58 -1.65 0.00 0.00 177.43 177.49 1y2z h VAL 109 N 0.85 1.08 -0.63 2.81 2.07 -1.09 -1.92 116.25 119.42 1y2z h VAL 109 Ca 0.15 -0.20 0.06 0.00 0.82 0.00 0.00 66.70 67.54 1y2z h VAL 109 Cb 0.59 0.85 -0.06 0.00 -1.52 0.00 0.00 31.29 31.15 1y2z h VAL 109 CO 0.04 0.08 0.32 0.25 0.02 0.00 0.00 177.57 178.28 1y2z h LEU 110 N 0.25 0.45 -0.85 2.57 5.85 -0.43 -0.02 115.31 123.12 1y2z h LEU 110 Ca 0.07 0.04 0.01 0.00 0.84 0.00 0.00 57.88 58.85 1y2z h LEU 110 Cb 0.02 -0.04 -0.04 0.00 0.37 0.00 0.00 40.66 40.96 1y2z h LEU 110 CO -0.01 0.29 0.56 0.58 -0.34 0.00 0.00 178.44 179.52 1y2z h VAL 111 N 0.59 1.20 -0.44 1.05 2.07 -0.93 -0.15 116.25 119.65 1y2z h VAL 111 Ca 0.29 -0.39 -0.04 0.00 0.82 0.00 0.00 66.70 67.37 1y2z h VAL 111 Cb 0.23 -0.04 -0.02 0.00 -1.52 0.00 0.00 31.29 29.94 1y2z h VAL 111 CO -0.20 0.21 0.09 0.00 0.02 0.00 0.00 177.57 177.68 1y2z h VAL 113 N 0.64 1.26 -0.54 0.00 2.07 0.27 0.78 116.25 120.73 1y2z h VAL 113 Ca 0.14 -0.99 -0.06 0.00 0.82 0.00 0.00 66.70 66.61 1y2z h VAL 113 Cb 0.27 1.23 -0.02 0.00 -1.52 0.00 0.00 31.29 31.24 1y2z h VAL 113 CO -0.00 0.33 0.09 -0.07 0.02 0.00 0.00 177.57 177.94 1y2z h LEU 114 N 0.41 0.81 -0.33 2.57 3.38 -0.92 -1.05 115.31 120.18 1y2z h LEU 114 Ca 0.10 -0.16 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1y2z h LEU 114 Cb 0.47 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.99 1y2z h LEU 114 CO 0.02 0.82 0.04 0.00 0.09 0.00 0.00 178.44 179.41 1y2z h ALA 115 N 1.28 0.44 -0.34 1.53 0.00 -0.92 0.13 119.26 121.40 1y2z h ALA 115 Ca 0.17 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1y2z h ALA 115 Cb 0.35 -0.13 -0.05 0.00 0.00 0.00 0.00 17.79 17.96 1y2z h ALA 115 CO 0.01 0.16 -0.01 1.25 0.00 0.00 0.00 179.25 180.66 1y2z h HIS 116 N 0.39 -0.03 -0.04 0.00 -0.00 -0.28 -0.85 115.15 114.33 1y2z h HIS 116 Ca 0.10 0.03 -0.08 0.00 -0.00 0.00 0.00 60.37 60.41 1y2z h HIS 116 Cb 0.38 0.07 0.00 0.00 -0.00 0.00 0.00 27.41 27.86 1y2z h HIS 116 CO 0.03 -0.07 -0.28 0.45 -0.00 0.00 0.00 177.93 178.05 1y2z h HIS 117 N 0.08 0.37 -0.00 5.26 -0.00 -1.15 -3.36 115.15 116.36 1y2z h HIS 117 Ca 0.16 -0.17 0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1y2z h HIS 117 Cb 0.22 -0.06 0.00 0.00 -0.00 0.00 0.00 27.41 27.58 1y2z h HIS 117 CO -0.25 0.91 -0.39 1.19 -0.00 0.00 0.00 177.93 179.40 1y2z n PHE 118 N -4.47 0.00 -1.06 2.45 3.01 0.03 -5.02 117.46 112.41 1y2z n PHE 118 Ca -0.09 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.37 1y2z n PHE 118 Cb 0.49 -0.17 0.00 0.00 -0.01 0.00 0.00 39.48 39.79 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 1.42 2.88 0.34 1.37 0.00 -0.33 -1.77 105.19 109.10 1y2z n GLY 119 Ca 0.09 -0.15 0.18 0.00 0.00 0.00 0.00 46.02 46.14 1y2z n GLY 119 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1y2z h LYS 120 N 0.00 0.00 0.00 1.61 3.11 -1.95 -0.49 116.57 118.84 1y2z h LYS 120 Ca 0.00 0.00 -0.02 0.00 -2.81 0.00 0.00 60.65 57.82 1y2z h LYS 120 Cb 0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.23 1y2z h LYS 120 CO 0.00 0.00 -0.07 1.49 -2.81 0.00 0.00 179.45 178.06 1y2z h GLU 121 N 0.00 0.00 -3.65 1.90 4.81 -1.74 -3.31 114.58 112.59 1y2z h GLU 121 Ca 0.02 0.00 -0.76 0.00 -0.13 0.00 0.00 59.36 58.48 1y2z h GLU 121 Cb 0.48 0.00 -0.19 0.00 0.63 0.00 0.00 28.75 29.67 1y2z h GLU 121 CO -0.00 0.07 1.59 0.34 -0.73 0.00 0.00 179.01 180.28 1y2z n PHE 122 N -3.19 3.35 -1.33 0.92 7.35 -0.20 -4.94 117.46 119.43 1y2z n PHE 122 Ca 0.01 -2.93 -0.31 0.00 -0.76 0.00 0.00 57.45 53.46 1y2z n PHE 122 Cb 0.37 -1.86 0.08 0.00 0.35 0.00 0.00 39.48 38.42 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 -0.03 3.46 0.22 -2.13 -4.23 -1.25 -4.74 115.64 106.94 1y2z s THR 123 Ca 0.38 0.47 -0.16 0.00 -1.18 0.00 0.00 61.69 61.21 1y2z s THR 123 Cb 0.05 -3.02 0.23 0.00 1.34 0.00 0.00 72.50 71.10 1y2z s THR 123 CO 0.02 -0.62 1.59 -0.65 -0.54 0.00 0.00 174.62 174.41 1y2z h PRO 124 N -1.05 -0.07 0.00 3.99 0.11 -1.94 0.34 132.00 133.39 1y2z h PRO 124 Ca -0.44 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.63 1y2z h PRO 124 Cb 1.23 0.01 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1y2z h PRO 124 CO 0.53 -0.04 -0.20 -1.35 -0.21 0.00 0.00 178.00 176.72 1y2z h PRO 125 N -0.07 0.00 0.06 1.05 0.11 -1.99 -1.86 132.00 129.30 1y2z h PRO 125 Ca 0.31 0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.17 1y2z h PRO 125 Cb 0.57 0.00 0.01 0.00 0.11 0.00 0.00 31.00 31.69 1y2z h PRO 125 CO -0.79 0.20 -1.09 0.28 -0.21 0.00 0.00 178.00 176.39 1y2z h VAL 126 N 0.00 1.40 -0.57 3.15 2.07 -0.79 -2.87 116.25 118.65 1y2z h VAL 126 Ca -0.00 -2.60 -0.02 0.00 0.82 0.00 0.00 66.70 64.90 1y2z h VAL 126 Cb 0.40 2.61 -0.03 0.00 -1.52 0.00 0.00 31.29 32.75 1y2z h VAL 126 CO 0.03 0.78 0.29 -0.61 0.02 0.00 0.00 177.57 178.07 1y2z h GLN 127 N 0.20 0.81 -0.63 1.57 4.15 -0.55 -1.40 115.11 119.26 1y2z h GLN 127 Ca -0.12 -0.11 0.01 0.00 0.77 0.00 0.00 58.65 59.20 1y2z h GLN 127 Cb 1.76 -0.15 -0.03 0.00 0.21 0.00 0.00 27.48 29.26 1y2z h GLN 127 CO 0.19 0.64 0.42 0.00 -1.93 0.00 0.00 178.83 178.16 1y2z h ALA 128 N 1.12 1.56 -0.16 3.38 0.00 -1.31 0.20 119.26 124.05 1y2z h ALA 128 Ca 0.20 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 55.01 1y2z h ALA 128 Cb 0.09 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.63 1y2z h ALA 128 CO -0.03 0.40 -0.11 0.00 0.00 0.00 0.00 179.25 179.52 1y2z h ALA 129 N 1.61 0.23 -0.46 0.00 0.00 -1.22 -2.75 119.26 116.67 1y2z h ALA 129 Ca 0.24 -0.30 -0.03 0.00 0.00 0.00 0.00 54.91 54.82 1y2z h ALA 129 Cb -0.08 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1y2z h ALA 129 CO -0.05 0.07 0.15 1.88 0.00 0.00 0.00 179.25 181.30 1y2z h TYR 130 N 0.01 0.67 -0.34 0.00 0.05 -0.68 -2.24 116.97 114.44 1y2z h TYR 130 Ca 0.03 -0.04 0.02 0.00 0.05 0.00 0.00 58.73 58.79 1y2z h TYR 130 Cb 0.61 -0.21 -0.03 0.00 1.01 0.00 0.00 36.73 38.12 1y2z h TYR 130 CO 0.07 0.55 0.18 1.96 -1.05 0.00 0.00 178.16 179.88 1y2z h GLN 131 N 0.66 0.36 -0.99 4.88 1.08 -0.51 0.54 115.11 121.12 1y2z h GLN 131 Ca 0.16 -0.02 0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1y2z h GLN 131 Cb 0.19 -0.08 -0.06 0.00 -0.05 0.00 0.00 27.48 27.48 1y2z h GLN 131 CO -0.01 0.24 0.65 0.87 -0.95 0.00 0.00 178.83 179.63 1y2z h LYS 132 N 0.37 1.25 -0.08 1.46 1.57 -1.16 -2.57 116.57 117.41 1y2z h LYS 132 Ca 0.14 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 1y2z h LYS 132 Cb 0.03 -0.28 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1y2z h LYS 132 CO -0.09 0.82 -0.03 0.28 -0.57 0.00 0.00 179.45 179.87 1y2z h VAL 133 N 1.28 1.31 -0.30 0.50 2.07 -0.75 -0.93 116.25 119.43 1y2z h VAL 133 Ca 0.39 -0.99 -0.05 0.00 0.82 0.00 0.00 66.70 66.86 1y2z h VAL 133 Cb -0.04 1.80 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 1y2z h VAL 133 CO -0.11 0.28 -0.04 -0.37 0.02 0.00 0.00 177.57 177.35 1y2z h VAL 134 N -0.19 1.20 -0.26 2.57 -1.51 -0.87 0.25 116.25 117.44 1y2z h VAL 134 Ca 0.02 -0.81 -0.06 0.00 -1.23 0.00 0.00 66.70 64.62 1y2z h VAL 134 Cb 0.45 1.01 -0.01 0.00 -2.13 0.00 0.00 31.29 30.62 1y2z h VAL 134 CO 0.01 0.27 -0.08 0.00 -1.23 0.00 0.00 177.57 176.54 1y2z h ALA 135 N 1.52 0.36 -0.84 5.19 0.00 -1.43 0.23 119.26 124.29 1y2z h ALA 135 Ca 0.09 -0.29 0.01 0.00 0.00 0.00 0.00 54.91 54.73 1y2z h ALA 135 Cb 0.35 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.01 1y2z h ALA 135 CO 0.01 0.19 0.55 0.78 0.00 0.00 0.00 179.25 180.79 1y2z h GLY 136 N 0.26 1.19 0.88 0.00 0.00 -0.59 -0.25 103.07 104.56 1y2z h GLY 136 Ca 0.06 -0.45 -0.06 0.00 0.00 0.00 0.00 47.33 46.89 1y2z h GLY 136 CO 0.03 0.44 -0.04 -2.08 0.00 0.00 0.00 176.54 174.89 1y2z h VAL 137 N 1.14 1.27 -0.77 4.60 2.07 -0.73 0.14 116.25 123.98 1y2z h VAL 137 Ca 0.31 -1.03 0.03 0.00 0.82 0.00 0.00 66.70 66.83 1y2z h VAL 137 Cb -0.12 1.36 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1y2z h VAL 137 CO -0.07 0.33 0.49 0.00 0.02 0.00 0.00 177.57 178.34 1y2z h ALA 138 N 0.80 1.01 -0.48 1.67 0.00 -0.64 0.64 119.26 122.26 1y2z h ALA 138 Ca 0.08 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1y2z h ALA 138 Cb 0.50 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.01 1y2z h ALA 138 CO 0.02 0.29 0.22 -0.91 0.00 0.00 0.00 179.25 178.87 1y2z h ASN 139 N 0.95 0.64 -0.59 0.00 -0.26 -0.87 -1.98 115.58 113.47 1y2z h ASN 139 Ca 0.31 -0.15 -0.05 0.00 -0.56 0.00 0.00 56.30 55.86 1y2z h ASN 139 Cb 0.02 -0.17 -0.03 0.00 -1.06 0.00 0.00 38.32 37.08 1y2z h ASN 139 CO -0.11 0.61 0.21 0.00 -1.06 0.00 0.00 177.43 177.08 1y2z h ALA 140 N 1.06 1.18 0.00 -0.83 0.00 -0.38 -1.66 119.26 118.63 1y2z h ALA 140 Ca 0.16 -0.19 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y2z h ALA 140 Cb 0.15 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.69 1y2z h ALA 140 CO -0.02 0.57 0.00 -0.07 0.00 0.00 0.00 179.25 179.74 1y2z h LEU 141 N 0.92 0.00 0.00 0.00 3.38 -0.56 -3.01 115.31 116.04 1y2z h LEU 141 Ca 0.21 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.18 1y2z h LEU 141 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1y2z h LEU 141 CO -0.01 0.00 -0.98 0.00 0.09 0.00 0.00 178.44 177.54 1y2z n ALA 142 N -1.85 4.46 -0.17 1.53 0.00 -0.77 -4.44 120.51 119.27 1y2z n ALA 142 Ca 0.03 -0.55 0.16 0.00 0.00 0.00 0.00 53.44 53.08 1y2z n ALA 142 Cb 0.32 -0.71 0.51 0.00 0.00 0.00 0.00 19.45 19.57 1y2z n ALA 142 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 177.50 178.62 1y2z h HIS 143 N 0.00 0.48 -0.49 0.00 2.07 -1.18 -1.91 115.15 114.12 1y2z h HIS 143 Ca 0.00 0.01 0.00 0.00 -2.85 0.00 0.00 60.37 57.53 1y2z h HIS 143 Cb 0.49 -0.15 0.00 0.00 2.57 0.00 0.00 27.41 30.32 1y2z h HIS 143 CO 0.00 0.17 0.00 1.63 -3.07 0.00 0.00 177.93 176.66 1y2z n LYS 144 N -4.48 2.22 -2.48 5.12 4.76 -1.26 -4.94 118.16 117.11 1y2z n LYS 144 Ca 0.15 -1.89 -0.34 0.00 -2.87 0.00 0.00 58.31 53.36 1y2z n LYS 144 Cb 0.56 -1.42 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 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 -1.35 2.92 0.00 2.13 2.02 -0.72 -4.76 117.35 117.59 1y2z s TYR 145 Ca 0.36 1.57 0.00 0.00 -0.37 0.00 0.00 57.07 58.63 1y2z s TYR 145 Cb 0.19 -3.12 0.00 0.00 -0.40 0.00 0.00 41.96 38.63 1y2z s TYR 145 CO 0.25 -1.01 0.00 -2.39 -1.57 0.00 0.00 175.55 170.84