#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y2z s LEU 2 N 0.00 4.34 0.60 7.52 1.43 -1.26 -5.07 118.68 126.25 1y2z s LEU 2 Ca 0.00 1.32 -0.06 0.00 -1.03 0.00 0.00 54.13 54.36 1y2z s LEU 2 Cb 0.00 -3.20 0.02 0.00 0.03 0.00 0.00 46.19 43.03 1y2z s LEU 2 CO 0.00 -0.14 0.91 -0.94 0.23 0.00 0.00 176.35 176.41 1y2z s SER 3 N 0.77 5.46 0.22 2.29 1.04 -1.26 -4.87 113.70 117.35 1y2z s SER 3 Ca 0.41 0.64 -0.08 0.00 0.48 0.00 0.00 55.95 57.39 1y2z s SER 3 Cb -0.19 -1.58 0.32 0.00 0.10 0.00 0.00 66.02 64.68 1y2z s SER 3 CO 0.21 -1.14 1.73 -0.65 0.98 0.00 0.00 173.24 174.37 1y2z h PRO 4 N -0.22 0.37 -0.24 4.02 0.11 -1.99 0.31 132.00 134.36 1y2z h PRO 4 Ca -0.45 -0.02 0.06 0.00 0.11 0.00 0.00 66.00 65.69 1y2z h PRO 4 Cb 1.27 -0.08 -0.06 0.00 0.11 0.00 0.00 31.00 32.24 1y2z h PRO 4 CO 0.60 0.24 -0.12 0.00 -0.21 0.00 0.00 178.00 178.52 1y2z h ALA 5 N 1.46 0.08 -0.30 -0.75 0.00 -1.99 0.11 119.26 117.87 1y2z h ALA 5 Ca 0.33 0.09 0.06 0.00 0.00 0.00 0.00 54.91 55.39 1y2z h ALA 5 Cb 0.45 0.29 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 1y2z h ALA 5 CO -0.35 -0.53 -0.05 -0.44 0.00 0.00 0.00 179.25 177.88 1y2z h ASP 6 N -0.09 -0.23 -0.43 0.00 3.32 -1.58 0.13 116.42 117.53 1y2z h ASP 6 Ca 0.13 0.08 0.07 0.00 0.02 0.00 0.00 57.03 57.33 1y2z h ASP 6 Cb 0.28 0.17 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 1y2z h ASP 6 CO -0.30 -0.08 0.10 0.11 -1.72 0.00 0.00 179.24 177.35 1y2z h LYS 7 N 0.02 0.24 -0.71 3.56 1.57 0.14 0.25 116.57 121.65 1y2z h LYS 7 Ca 0.14 -0.01 -0.03 0.00 -1.87 0.00 0.00 60.65 58.87 1y2z h LYS 7 Cb 0.21 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 32.44 1y2z h LYS 7 CO -0.29 0.16 0.31 1.15 -0.57 0.00 0.00 179.45 180.21 1y2z h THR 8 N 0.24 1.24 -0.46 -0.16 2.02 -0.48 -1.81 112.91 113.50 1y2z h THR 8 Ca 0.21 -0.73 -0.01 0.00 0.77 0.00 0.00 66.41 66.65 1y2z h THR 8 Cb 0.25 0.40 -0.02 0.00 -1.74 0.00 0.00 68.15 67.04 1y2z h THR 8 CO -0.26 0.30 0.26 0.78 0.37 0.00 0.00 175.52 176.96 1y2z h ASN 9 N 1.00 0.58 -0.33 4.18 -0.26 0.64 -1.76 115.58 119.63 1y2z h ASN 9 Ca 0.24 -0.09 -0.08 0.00 -0.56 0.00 0.00 56.30 55.81 1y2z h ASN 9 Cb 0.17 -0.15 -0.01 0.00 -1.06 0.00 0.00 38.32 37.28 1y2z h ASN 9 CO -0.02 0.50 -0.12 0.58 -1.06 0.00 0.00 177.43 177.31 1y2z h VAL 10 N 0.61 1.28 -0.45 2.81 2.07 -0.39 -1.18 116.25 121.00 1y2z h VAL 10 Ca 0.16 -1.20 -0.05 0.00 0.82 0.00 0.00 66.70 66.43 1y2z h VAL 10 Cb 0.05 1.37 -0.02 0.00 -1.52 0.00 0.00 31.29 31.16 1y2z h VAL 10 CO -0.03 0.39 0.07 0.11 0.02 0.00 0.00 177.57 178.14 1y2z h LYS 11 N 0.45 0.69 0.45 1.57 1.57 -1.25 0.11 116.57 120.15 1y2z h LYS 11 Ca 0.08 -0.14 -0.02 0.00 -1.87 0.00 0.00 60.65 58.69 1y2z h LYS 11 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 32.23 32.85 1y2z h LYS 11 CO 0.04 0.66 -0.21 0.00 -0.57 0.00 0.00 179.45 179.37 1y2z h ALA 12 N 1.41 -0.60 -0.54 3.86 0.00 -1.21 0.36 119.26 122.54 1y2z h ALA 12 Ca 0.15 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 1y2z h ALA 12 Cb 0.31 0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1y2z h ALA 12 CO 0.00 -0.65 0.11 0.00 0.00 0.00 0.00 179.25 178.71 1y2z h ALA 13 N -0.68 0.72 -0.08 0.00 0.00 -1.16 -1.71 119.26 116.34 1y2z h ALA 13 Ca -0.06 -0.23 -0.09 0.00 0.00 0.00 0.00 54.91 54.53 1y2z h ALA 13 Cb 0.57 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1y2z h ALA 13 CO 0.10 0.44 -0.35 2.35 0.00 0.00 0.00 179.25 181.80 1y2z h TRP 14 N 0.78 0.17 -0.52 0.00 2.91 -0.85 -2.41 115.95 116.03 1y2z h TRP 14 Ca 0.17 -0.04 0.06 0.00 1.13 0.00 0.00 58.89 60.21 1y2z h TRP 14 Cb 0.38 -0.04 -0.06 0.00 -0.51 0.00 0.00 29.16 28.93 1y2z h TRP 14 CO 0.03 0.49 0.21 0.78 -1.03 0.00 0.00 178.44 178.91 1y2z h GLY 15 N 1.11 0.70 1.62 2.65 0.00 0.60 -1.22 103.07 108.53 1y2z h GLY 15 Ca 0.02 -0.13 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 1y2z h GLY 15 CO 0.05 0.04 -0.04 0.50 0.00 0.00 0.00 176.54 177.09 1y2z h LYS 16 N 0.41 0.47 -0.49 4.80 1.79 -0.93 -2.59 116.57 120.03 1y2z h LYS 16 Ca 0.24 -0.10 0.06 0.00 -2.18 0.00 0.00 60.65 58.67 1y2z h LYS 16 Cb 0.24 -0.07 -0.06 0.00 -1.58 0.00 0.00 32.23 30.76 1y2z h LYS 16 CO -0.23 0.53 0.18 0.28 -1.08 0.00 0.00 179.45 179.13 1y2z h VAL 17 N 0.45 0.84 0.00 0.50 2.07 -0.89 -3.45 116.25 115.77 1y2z h VAL 17 Ca 0.09 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.49 1y2z h VAL 17 Cb 0.36 0.45 0.00 0.00 -1.52 0.00 0.00 31.29 30.58 1y2z h VAL 17 CO 0.01 0.07 0.00 0.61 0.02 0.00 0.00 177.57 178.28 1y2z n GLY 18 N -1.26 3.15 0.00 2.17 0.00 -0.98 -1.23 105.19 107.05 1y2z n GLY 18 Ca 0.05 0.02 0.08 0.00 0.00 0.00 0.00 46.02 46.17 1y2z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1y2z n ALA 19 N 10.05 1.98 1.04 4.61 0.00 -1.26 -2.94 120.51 133.99 1y2z n ALA 19 Ca 0.00 -0.09 0.11 0.00 0.00 0.00 0.00 53.44 53.47 1y2z n ALA 19 Cb 0.00 -1.26 0.06 0.00 0.00 0.00 0.00 19.45 18.24 1y2z n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1y2z n HIS 20 N -1.17 0.00 -0.25 0.00 8.25 -0.36 -4.52 115.22 117.17 1y2z n HIS 20 Ca 0.10 0.00 -0.02 0.00 -0.26 0.00 0.00 57.72 57.53 1y2z n HIS 20 Cb 0.10 -0.02 0.04 0.00 1.12 0.00 0.00 29.99 31.23 1y2z n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1y2z h ALA 21 N 3.87 0.17 -0.34 -1.41 0.00 -1.65 0.08 119.26 119.98 1y2z h ALA 21 Ca 0.00 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1y2z h ALA 21 Cb 0.72 0.76 -0.08 0.00 0.00 0.00 0.00 17.79 19.19 1y2z h ALA 21 CO 0.00 -0.58 -0.20 0.78 0.00 0.00 0.00 179.25 179.25 1y2z h GLY 22 N -0.09 0.02 1.60 0.00 0.00 -1.85 0.26 103.07 103.01 1y2z h GLY 22 Ca 0.29 0.25 -0.09 0.00 0.00 0.00 0.00 47.33 47.79 1y2z h GLY 22 CO -0.76 -0.19 -0.22 1.05 0.00 0.00 0.00 176.54 176.42 1y2z h GLU 23 N -0.15 0.48 -0.02 4.80 4.11 -1.63 -1.94 114.58 120.22 1y2z h GLU 23 Ca 0.17 -0.17 -0.15 0.00 0.07 0.00 0.00 59.36 59.29 1y2z h GLU 23 Cb 0.42 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1y2z h GLU 23 CO -0.43 0.67 -0.67 1.88 0.07 0.00 0.00 179.01 180.53 1y2z h TYR 24 N 0.43 0.13 -0.33 2.06 0.99 -0.07 -1.42 116.97 118.76 1y2z h TYR 24 Ca 0.07 -0.06 -0.05 0.00 2.00 0.00 0.00 58.73 60.69 1y2z h TYR 24 Cb 0.62 -0.02 -0.01 0.00 1.00 0.00 0.00 36.73 38.32 1y2z h TYR 24 CO 0.02 0.73 0.02 0.78 -0.00 0.00 0.00 178.16 179.71 1y2z h GLY 25 N 1.80 0.62 0.97 3.88 0.00 -0.11 -0.51 103.07 109.72 1y2z h GLY 25 Ca -0.01 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 46.86 1y2z h GLY 25 CO 0.09 0.41 0.22 0.00 0.00 0.00 0.00 176.54 177.26 1y2z h ALA 26 N 0.86 0.55 -0.64 3.60 0.00 -1.22 -2.19 119.26 120.22 1y2z h ALA 26 Ca 0.10 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 1y2z h ALA 26 Cb 0.42 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.01 1y2z h ALA 26 CO 0.01 0.09 0.16 1.49 0.00 0.00 0.00 179.25 181.01 1y2z h GLU 27 N 0.55 1.02 -0.55 0.00 4.81 -1.17 -1.13 114.58 118.12 1y2z h GLU 27 Ca 0.15 -0.24 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1y2z h GLU 27 Cb 0.09 -0.14 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 1y2z h GLU 27 CO -0.02 0.92 0.22 0.00 -0.73 0.00 0.00 179.01 179.40 1y2z h ALA 28 N 1.06 1.37 0.17 2.92 0.00 -0.90 -0.46 119.26 123.41 1y2z h ALA 28 Ca 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 1y2z h ALA 28 Cb 0.35 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1y2z h ALA 28 CO 0.00 0.48 -0.08 -0.07 0.00 0.00 0.00 179.25 179.58 1y2z h LEU 29 N 0.78 -0.19 -0.65 0.00 3.38 -0.85 -1.84 115.31 115.94 1y2z h LEU 29 Ca 0.19 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 58.04 1y2z h LEU 29 Cb 0.15 0.05 -0.05 0.00 0.09 0.00 0.00 40.66 40.89 1y2z h LEU 29 CO -0.02 0.07 0.36 -0.08 0.09 0.00 0.00 178.44 178.86 1y2z h GLU 30 N -0.46 0.65 -0.79 1.13 4.81 -0.99 0.44 114.58 119.37 1y2z h GLU 30 Ca -0.02 -0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1y2z h GLU 30 Cb 0.35 -0.15 -0.06 0.00 0.63 0.00 0.00 28.75 29.53 1y2z h GLU 30 CO 0.04 0.43 0.47 0.00 -0.73 0.00 0.00 179.01 179.22 1y2z h ARG 31 N 0.67 0.81 -0.49 1.92 3.08 -0.94 -1.71 114.38 117.73 1y2z h ARG 31 Ca 0.29 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.24 1y2z h ARG 31 Cb 0.18 -0.18 -0.02 0.00 0.08 0.00 0.00 29.97 30.02 1y2z h ARG 31 CO -0.18 0.54 0.12 1.98 -1.07 0.00 0.00 179.97 181.36 1y2z h MET 32 N 0.84 0.78 -0.66 0.04 4.05 -0.33 -0.28 114.93 119.36 1y2z h MET 32 Ca 0.36 -0.19 -0.02 0.00 -0.28 0.00 0.00 59.70 59.57 1y2z h MET 32 Cb 0.23 -0.10 -0.03 0.00 -0.80 0.00 0.00 31.60 30.90 1y2z h MET 32 CO -0.20 0.76 0.32 0.74 0.23 0.00 0.00 176.91 178.76 1y2z h PHE 33 N 0.66 0.95 -0.08 1.39 0.04 -0.59 0.20 116.94 119.51 1y2z h PHE 33 Ca 0.15 -0.05 -0.23 0.00 2.80 0.00 0.00 57.97 60.65 1y2z h PHE 33 Cb 0.33 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.20 1y2z h PHE 33 CO 0.02 0.71 -0.84 -0.07 -0.60 0.00 0.00 178.31 177.54 1y2z h LEU 34 N 0.92 0.87 0.02 1.54 3.38 -1.21 -3.19 115.31 117.65 1y2z h LEU 34 Ca 0.23 -0.68 -0.26 0.00 0.09 0.00 0.00 57.88 57.25 1y2z h LEU 34 Cb 0.12 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1y2z h LEU 34 CO -0.03 1.43 -1.40 0.28 0.09 0.00 0.00 178.44 178.81 1y2z h SER 35 N 0.39 0.08 -2.58 -0.43 0.02 -1.02 -3.41 113.55 106.59 1y2z h SER 35 Ca -0.08 -0.11 -0.60 0.00 -0.84 0.00 0.00 61.79 60.16 1y2z h SER 35 Cb 1.48 -0.02 -0.39 0.00 0.14 0.00 0.00 62.40 63.61 1y2z h SER 35 CO 0.17 1.09 -0.85 0.49 -1.14 0.00 0.00 176.83 176.59 1y2z n PHE 36 N -3.25 0.47 0.29 3.45 3.01 0.68 -4.98 117.46 117.13 1y2z n PHE 36 Ca -0.10 -3.64 0.19 0.00 1.01 0.00 0.00 57.45 54.91 1y2z n PHE 36 Cb 1.01 -0.04 1.01 0.00 -0.01 0.00 0.00 39.48 41.45 1y2z n PHE 36 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1y2z h PRO 37 N 5.49 0.00 0.00 -1.08 0.11 -1.70 -1.65 132.00 133.17 1y2z h PRO 37 Ca 0.23 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.32 1y2z h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.96 1y2z h PRO 37 CO 0.49 0.00 -0.10 1.79 -0.21 0.00 0.00 178.00 179.97 1y2z h THR 38 N 0.00 0.33 0.00 -1.15 1.35 -1.90 -2.53 112.91 109.01 1y2z h THR 38 Ca 0.00 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.22 1y2z h THR 38 Cb 0.02 1.48 0.00 0.00 -1.73 0.00 0.00 68.15 67.92 1y2z h THR 38 CO 0.00 0.10 0.00 0.71 -0.25 0.00 0.00 175.52 176.08 1y2z h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.61 -2.78 112.91 116.69 1y2z h THR 39 Ca -0.00 -0.44 -0.03 0.00 -0.55 0.00 0.00 66.41 65.39 1y2z h THR 39 Cb 0.47 1.37 -0.00 0.00 -1.73 0.00 0.00 68.15 68.26 1y2z h THR 39 CO 0.01 0.00 -0.12 0.11 -0.25 0.00 0.00 175.52 175.27 1y2z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.64 -2.78 116.57 118.43 1y2z h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1y2z h LYS 40 Cb 0.48 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.79 1y2z h LYS 40 CO 0.00 0.12 0.06 1.79 -0.57 0.00 0.00 179.45 180.85 1y2z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.68 0.64 112.91 113.05 1y2z h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1y2z h THR 41 Cb 0.48 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 1y2z h THR 41 CO 0.02 0.00 -0.46 -1.22 -0.25 0.00 0.00 175.52 173.60 1y2z n TYR 42 N -2.42 0.00 -2.63 4.73 4.01 -1.05 -4.33 117.16 115.47 1y2z n TYR 42 Ca -0.02 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.54 1y2z n TYR 42 Cb 0.09 -0.17 0.01 0.00 -0.31 0.00 0.00 39.34 38.96 1y2z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1y2z n PHE 43 N -1.13 2.23 0.26 -0.72 3.01 0.21 -4.84 117.46 116.47 1y2z n PHE 43 Ca 0.08 -3.06 0.11 0.00 1.01 0.00 0.00 57.45 55.59 1y2z n PHE 43 Cb 0.35 -0.26 0.69 0.00 -0.01 0.00 0.00 39.48 40.24 1y2z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1y2z h PRO 44 N 2.82 0.00 -0.01 -1.08 0.13 -1.75 -2.07 132.00 130.03 1y2z h PRO 44 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1y2z h PRO 44 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1y2z h PRO 44 CO 0.67 0.13 -0.06 -2.39 -0.23 0.00 0.00 178.00 176.12 1y2z n HIS 45 N -3.78 0.00 -3.92 1.56 1.44 -1.26 -4.90 115.22 104.36 1y2z n HIS 45 Ca -0.02 0.00 -0.28 0.00 -2.01 0.00 0.00 57.72 55.41 1y2z n HIS 45 Cb 0.24 -0.07 -0.03 0.00 0.12 0.00 0.00 29.99 30.24 1y2z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1y2z s PHE 46 N -2.20 3.50 -0.46 -1.40 0.40 -0.78 -5.06 117.98 111.98 1y2z s PHE 46 Ca 0.36 0.18 -0.22 0.00 -0.60 0.00 0.00 56.93 56.65 1y2z s PHE 46 Cb 0.21 -1.71 0.03 0.00 0.51 0.00 0.00 43.02 42.05 1y2z s PHE 46 CO 0.40 0.53 0.75 0.34 0.70 0.00 0.00 175.22 177.95 1y2z s ASP 47 N -2.99 6.38 -0.16 1.36 2.15 -1.26 -4.90 116.67 117.24 1y2z s ASP 47 Ca 0.35 -0.22 0.14 0.00 0.43 0.00 0.00 52.55 53.25 1y2z s ASP 47 Cb -0.12 -2.37 0.68 0.00 -0.30 0.00 0.00 42.92 40.82 1y2z s ASP 47 CO 0.28 -0.90 1.56 0.18 -0.17 0.00 0.00 175.17 176.13 1y2z n LEU 48 N 6.63 4.73 -4.78 -1.34 4.77 -1.26 -4.47 117.00 121.27 1y2z n LEU 48 Ca 0.01 -2.39 -0.33 0.00 -0.03 0.00 0.00 56.01 53.26 1y2z n LEU 48 Cb 0.48 -0.61 0.03 0.00 -2.33 0.00 0.00 43.42 40.99 1y2z n LEU 48 CO 0.58 0.65 0.74 -0.94 -1.33 0.00 0.00 177.39 177.09 1y2z s SER 49 N -0.76 5.36 -0.16 -1.43 1.04 -1.26 -4.89 113.70 111.60 1y2z s SER 49 Ca 0.47 1.96 -0.34 0.00 0.48 0.00 0.00 55.95 58.51 1y2z s SER 49 Cb 0.33 -2.55 -0.12 0.00 0.10 0.00 0.00 66.02 63.79 1y2z s SER 49 CO 0.18 -1.46 1.94 1.57 0.98 0.00 0.00 173.24 176.45 1y2z n HIS 50 N -2.21 2.17 -0.78 5.02 -0.00 -1.26 -0.44 115.22 117.72 1y2z n HIS 50 Ca 0.10 0.08 0.00 0.00 0.46 0.00 0.00 57.72 58.36 1y2z n HIS 50 Cb 0.52 -2.63 0.00 0.00 -0.12 0.00 0.00 29.99 27.76 1y2z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1y2z n GLY 51 N 4.81 0.52 3.74 1.57 0.00 -1.26 -5.01 105.19 109.56 1y2z n GLY 51 Ca 0.26 -0.77 -0.42 0.00 0.00 0.00 0.00 46.02 45.10 1y2z n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y2z s SER 52 N -2.70 6.50 0.35 1.61 0.15 0.41 -4.88 113.70 115.14 1y2z s SER 52 Ca 0.00 2.80 0.13 0.00 0.70 0.00 0.00 55.95 59.58 1y2z s SER 52 Cb 0.00 -2.62 0.64 0.00 -1.71 0.00 0.00 66.02 62.33 1y2z s SER 52 CO 0.00 -0.84 1.77 0.00 1.20 0.00 0.00 173.24 175.37 1y2z h ALA 53 N 5.39 1.24 -0.60 5.45 0.00 -1.89 -1.10 119.26 127.76 1y2z h ALA 53 Ca -0.46 -0.39 -0.04 0.00 0.00 0.00 0.00 54.91 54.02 1y2z h ALA 53 Cb 1.21 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.91 1y2z h ALA 53 CO 0.82 0.54 0.21 1.96 0.00 0.00 0.00 179.25 182.78 1y2z h GLN 54 N 0.00 0.91 -0.34 0.00 4.20 -1.90 0.49 115.11 118.47 1y2z h GLN 54 Ca -0.00 -0.18 -0.10 0.00 0.06 0.00 0.00 58.65 58.42 1y2z h GLN 54 Cb 0.79 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 1y2z h GLN 54 CO 0.06 0.80 -0.17 0.28 -0.67 0.00 0.00 178.83 179.13 1y2z h VAL 55 N 0.84 1.29 -0.23 -0.54 2.07 -1.71 0.27 116.25 118.23 1y2z h VAL 55 Ca 0.19 -1.28 0.03 0.00 0.82 0.00 0.00 66.70 66.46 1y2z h VAL 55 Cb 0.25 1.39 -0.03 0.00 -1.52 0.00 0.00 31.29 31.38 1y2z h VAL 55 CO -0.01 0.42 0.04 0.11 0.02 0.00 0.00 177.57 178.15 1y2z h LYS 56 N 0.49 0.13 -0.49 1.57 1.79 -0.82 0.64 116.57 119.88 1y2z h LYS 56 Ca 0.08 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.54 1y2z h LYS 56 Cb 0.71 -0.03 -0.02 0.00 -1.58 0.00 0.00 32.23 31.30 1y2z h LYS 56 CO 0.05 0.08 0.32 0.78 -1.08 0.00 0.00 179.45 179.61 1y2z h GLY 57 N 0.13 0.69 0.88 3.86 0.00 0.07 -2.42 103.07 106.28 1y2z h GLY 57 Ca 0.11 -0.26 -0.08 0.00 0.00 0.00 0.00 47.33 47.10 1y2z h GLY 57 CO -0.14 0.25 -0.12 0.84 0.00 0.00 0.00 176.54 177.37 1y2z h HIS 58 N 0.66 0.65 -0.94 5.60 -0.00 -0.47 -2.78 115.15 117.87 1y2z h HIS 58 Ca 0.18 -0.16 0.14 0.00 -0.00 0.00 0.00 60.37 60.53 1y2z h HIS 58 Cb -0.07 -0.15 -0.09 0.00 -0.00 0.00 0.00 27.41 27.10 1y2z h HIS 58 CO -0.04 0.81 0.56 0.78 -0.00 0.00 0.00 177.93 180.04 1y2z h GLY 59 N 0.31 1.56 0.90 5.26 0.00 0.49 -1.49 103.07 110.10 1y2z h GLY 59 Ca 0.06 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1y2z h GLY 59 CO 0.04 0.06 0.07 1.70 0.00 0.00 0.00 176.54 178.40 1y2z h LYS 60 N 0.83 0.51 -0.88 4.80 3.64 -1.36 -1.42 116.57 122.69 1y2z h LYS 60 Ca 0.49 -0.13 0.02 0.00 -1.27 0.00 0.00 60.65 59.76 1y2z h LYS 60 Cb 0.60 -0.06 -0.05 0.00 -0.41 0.00 0.00 32.23 32.31 1y2z h LYS 60 CO -0.31 0.59 0.58 0.87 -2.27 0.00 0.00 179.45 178.91 1y2z h LYS 61 N 0.35 1.13 -0.40 1.90 1.57 -1.03 0.20 116.57 120.30 1y2z h LYS 61 Ca 0.10 -0.07 -0.08 0.00 -1.87 0.00 0.00 60.65 58.73 1y2z h LYS 61 Cb 0.31 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.36 1y2z h LYS 61 CO 0.00 0.75 -0.06 0.28 -0.57 0.00 0.00 179.45 179.85 1y2z h VAL 62 N 1.16 1.27 -0.64 0.50 2.07 -1.15 -2.00 116.25 117.46 1y2z h VAL 62 Ca 0.33 -1.11 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1y2z h VAL 62 Cb -0.09 1.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.84 1y2z h VAL 62 CO -0.09 0.37 0.19 0.00 0.02 0.00 0.00 177.57 178.07 1y2z h ALA 63 N 0.86 0.83 -0.95 1.67 0.00 -0.87 -0.92 119.26 119.88 1y2z h ALA 63 Ca 0.11 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1y2z h ALA 63 Cb 0.56 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.05 1y2z h ALA 63 CO 0.03 0.51 0.63 -0.44 0.00 0.00 0.00 179.25 179.98 1y2z h ASP 64 N 0.92 1.05 -0.07 0.00 5.19 -0.43 0.15 116.42 123.22 1y2z h ASP 64 Ca 0.20 -0.02 -0.15 0.00 -0.62 0.00 0.00 57.03 56.45 1y2z h ASP 64 Cb 0.30 -0.25 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 1y2z h ASP 64 CO -0.01 0.73 -0.48 0.00 -3.12 0.00 0.00 179.24 176.36 1y2z h ALA 65 N 1.44 0.71 -0.32 3.45 0.00 -0.77 -0.80 119.26 122.98 1y2z h ALA 65 Ca 0.37 -0.48 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 1y2z h ALA 65 Cb -0.03 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1y2z h ALA 65 CO -0.11 0.67 -0.17 -0.07 0.00 0.00 0.00 179.25 179.58 1y2z h LEU 66 N 0.50 0.69 -1.22 0.00 3.38 -0.28 -1.50 115.31 116.87 1y2z h LEU 66 Ca 0.03 -0.41 0.09 0.00 0.09 0.00 0.00 57.88 57.67 1y2z h LEU 66 Cb 1.03 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.52 1y2z h LEU 66 CO 0.10 0.95 0.56 0.74 0.09 0.00 0.00 178.44 180.88 1y2z h THR 67 N 0.43 0.99 -0.15 0.22 2.02 -0.63 -0.79 112.91 114.99 1y2z h THR 67 Ca 0.07 -0.30 -0.13 0.00 0.77 0.00 0.00 66.41 66.82 1y2z h THR 67 Cb 0.70 0.03 -0.01 0.00 -1.74 0.00 0.00 68.15 67.13 1y2z h THR 67 CO 0.05 0.16 -0.45 -1.13 0.37 0.00 0.00 175.52 174.52 1y2z h ASN 68 N 0.89 0.40 0.25 4.18 -1.24 -0.82 -2.01 115.58 117.22 1y2z h ASN 68 Ca 0.39 -0.18 -0.15 0.00 0.71 0.00 0.00 56.30 57.07 1y2z h ASN 68 Cb 0.35 -0.11 -0.01 0.00 0.73 0.00 0.00 38.32 39.28 1y2z h ASN 68 CO -0.16 0.80 -0.56 0.00 -1.29 0.00 0.00 177.43 176.21 1y2z h ALA 69 N 1.22 0.83 -0.35 1.57 0.00 -0.14 -2.37 119.26 120.03 1y2z h ALA 69 Ca 0.02 -0.52 -0.08 0.00 0.00 0.00 0.00 54.91 54.33 1y2z h ALA 69 Cb 0.91 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 1y2z h ALA 69 CO 0.08 0.70 -0.11 0.28 0.00 0.00 0.00 179.25 180.20 1y2z h VAL 70 N 0.25 1.28 0.00 0.00 2.07 -1.09 -1.13 116.25 117.64 1y2z h VAL 70 Ca 0.00 -1.19 -0.02 0.00 0.82 0.00 0.00 66.70 66.31 1y2z h VAL 70 Cb 1.07 1.33 -0.00 0.00 -1.52 0.00 0.00 31.29 32.16 1y2z h VAL 70 CO 0.09 0.39 -0.07 0.00 0.02 0.00 0.00 177.57 178.00 1y2z h ALA 71 N 0.81 1.44 -0.54 1.67 0.00 -1.23 -2.64 119.26 118.76 1y2z h ALA 71 Ca 0.09 -0.07 -0.39 0.00 0.00 0.00 0.00 54.91 54.53 1y2z h ALA 71 Cb 0.63 -0.01 -0.34 0.00 0.00 0.00 0.00 17.79 18.06 1y2z h ALA 71 CO 0.04 0.09 -0.80 0.72 0.00 0.00 0.00 179.25 179.30 1y2z n HIS 72 N -3.81 1.95 -0.03 0.00 8.25 -0.90 -4.84 115.22 115.82 1y2z n HIS 72 Ca -0.02 -2.01 0.24 0.00 -0.26 0.00 0.00 57.72 55.66 1y2z n HIS 72 Cb 0.17 -0.30 0.66 0.00 1.12 0.00 0.00 29.99 31.64 1y2z n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1y2z h VAL 73 N 2.55 0.26 -0.25 1.59 3.04 -0.82 0.50 116.25 123.11 1y2z h VAL 73 Ca 0.22 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.91 1y2z h VAL 73 Cb 1.42 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1y2z h VAL 73 CO 0.52 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.55 1y2z n ASP 74 N -3.60 2.36 -2.71 3.17 8.00 -1.26 -4.43 116.55 118.08 1y2z n ASP 74 Ca 0.14 -1.83 -0.04 0.00 0.71 0.00 0.00 54.79 53.77 1y2z n ASP 74 Cb 0.95 -0.16 0.10 0.00 -0.02 0.00 0.00 41.12 41.99 1y2z n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1y2z n ASP 75 N 0.78 -0.67 -0.22 -2.24 2.03 0.17 -5.00 116.55 111.41 1y2z n ASP 75 Ca 0.17 -2.32 -0.02 0.00 0.52 0.00 0.00 54.79 53.15 1y2z n ASP 75 Cb 0.44 0.41 0.09 0.00 -0.72 0.00 0.00 41.12 41.35 1y2z n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1y2z h MET 76 N 1.84 0.60 -0.87 -0.67 2.86 -1.70 0.14 114.93 117.14 1y2z h MET 76 Ca -0.30 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.43 1y2z h MET 76 Cb 1.28 -0.14 -0.08 0.00 0.06 0.00 0.00 31.60 32.72 1y2z h MET 76 CO 0.00 0.40 0.49 -1.35 1.06 0.00 0.00 176.91 177.50 1y2z h PRO 77 N 0.62 0.73 0.02 -0.22 0.11 -1.94 0.52 132.00 131.83 1y2z h PRO 77 Ca 0.29 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.33 1y2z h PRO 77 Cb 0.21 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 31.16 1y2z h PRO 77 CO -0.20 0.48 -0.13 -0.91 -0.21 0.00 0.00 178.00 177.04 1y2z h ASN 78 N 0.75 0.08 -0.28 -2.05 2.35 -1.88 -2.03 115.58 112.53 1y2z h ASN 78 Ca 0.44 -0.94 0.08 0.00 -0.55 0.00 0.00 56.30 55.33 1y2z h ASN 78 Cb 0.51 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.85 1y2z h ASN 78 CO -0.30 1.01 0.24 0.00 -1.65 0.00 0.00 177.43 176.74 1y2z h ALA 79 N 0.07 2.10 -0.11 -0.83 0.00 -0.30 -2.87 119.26 117.31 1y2z h ALA 79 Ca -0.02 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1y2z h ALA 79 Cb 1.05 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.86 1y2z h ALA 79 CO 0.02 -0.39 0.00 1.28 0.00 0.00 0.00 179.25 180.17 1y2z n LEU 80 N -4.12 2.30 -0.30 0.00 4.77 0.18 -4.75 117.00 115.07 1y2z n LEU 80 Ca 0.04 -1.25 0.00 0.00 -0.03 0.00 0.00 56.01 54.77 1y2z n LEU 80 Cb 0.40 -0.06 0.04 0.00 -2.33 0.00 0.00 43.42 41.47 1y2z n LEU 80 CO 0.32 0.48 0.47 -1.20 -1.33 0.00 0.00 177.39 176.12 1y2z n SER 81 N 0.69 -0.47 -0.31 -1.43 7.64 -0.76 -1.29 113.62 117.69 1y2z n SER 81 Ca 0.09 1.37 -0.04 0.00 1.01 0.00 0.00 58.87 61.30 1y2z n SER 81 Cb 0.35 -0.33 0.08 0.00 -1.01 0.00 0.00 64.21 63.30 1y2z n SER 81 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1y2z h ALA 82 N 1.16 1.06 0.00 -0.43 0.00 -1.85 -0.82 119.26 118.38 1y2z h ALA 82 Ca 0.29 -0.06 -0.14 0.00 0.00 0.00 0.00 54.91 55.01 1y2z h ALA 82 Cb 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1y2z h ALA 82 CO -0.78 0.47 -0.65 1.25 0.00 0.00 0.00 179.25 179.53 1y2z h LEU 83 N 1.13 0.00 -0.52 0.00 5.85 -1.54 -1.91 115.31 118.33 1y2z h LEU 83 Ca 0.31 0.00 -0.13 0.00 0.84 0.00 0.00 57.88 58.89 1y2z h LEU 83 Cb -0.13 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 1y2z h LEU 83 CO -0.07 0.65 -0.23 -1.28 -0.34 0.00 0.00 178.44 177.17 1y2z h SER 84 N 0.00 0.98 -0.05 1.25 0.87 -0.60 -2.46 113.55 113.55 1y2z h SER 84 Ca -0.01 -0.38 -0.01 0.00 -1.23 0.00 0.00 61.79 60.16 1y2z h SER 84 Cb 1.19 -0.27 -0.00 0.00 -0.44 0.00 0.00 62.40 62.88 1y2z h SER 84 CO 0.08 1.17 -0.03 0.44 -0.53 0.00 0.00 176.83 177.97 1y2z h ASP 85 N 0.82 0.10 -0.45 6.23 3.32 -1.07 -2.20 116.42 123.17 1y2z h ASP 85 Ca 0.10 -0.42 0.07 0.00 0.02 0.00 0.00 57.03 56.80 1y2z h ASP 85 Cb 0.81 -0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.27 1y2z h ASP 85 CO 0.07 0.51 0.12 0.25 -1.72 0.00 0.00 179.24 178.46 1y2z h LEU 86 N -0.30 0.07 -0.26 1.55 5.85 -1.34 -0.45 115.31 120.44 1y2z h LEU 86 Ca 0.01 0.07 -0.20 0.00 0.84 0.00 0.00 57.88 58.60 1y2z h LEU 86 Cb 0.47 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.58 1y2z h LEU 86 CO 0.01 0.07 -0.61 0.45 -0.34 0.00 0.00 178.44 178.02 1y2z h HIS 87 N 0.26 1.10 -0.28 1.25 3.86 -1.49 -0.15 115.15 119.70 1y2z h HIS 87 Ca 0.22 -0.42 -0.07 0.00 -1.16 0.00 0.00 60.37 58.94 1y2z h HIS 87 Cb 0.26 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 1y2z h HIS 87 CO -0.19 1.25 -0.10 0.00 0.86 0.00 0.00 177.93 179.75 1y2z h ALA 88 N 0.64 0.39 0.00 2.45 0.00 -1.23 0.20 119.26 121.72 1y2z h ALA 88 Ca -0.00 -0.30 -0.37 0.00 0.00 0.00 0.00 54.91 54.24 1y2z h ALA 88 Cb 1.22 -0.10 -0.07 0.00 0.00 0.00 0.00 17.79 18.85 1y2z h ALA 88 CO 0.13 0.23 -2.36 0.72 0.00 0.00 0.00 179.25 177.98 1y2z n HIS 89 N -4.47 0.11 -0.02 0.00 8.25 -0.19 -4.55 115.22 114.34 1y2z n HIS 89 Ca -0.03 0.03 -0.03 0.00 -0.26 0.00 0.00 57.72 57.43 1y2z n HIS 89 Cb 0.34 -1.02 -0.01 0.00 1.12 0.00 0.00 29.99 30.42 1y2z n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1y2z n LYS 90 N -2.94 0.16 -0.22 -0.41 4.81 -0.18 -4.79 118.16 114.59 1y2z n LYS 90 Ca -0.36 0.06 -0.07 0.00 -0.87 0.00 0.00 58.31 57.08 1y2z n LYS 90 Cb 1.10 -0.69 0.03 0.00 0.02 0.00 0.00 35.03 35.50 1y2z n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1y2z h LEU 91 N -0.30 0.81 -1.90 3.14 3.38 -1.39 -3.47 115.31 115.57 1y2z h LEU 91 Ca 0.00 -0.14 -0.50 0.00 0.09 0.00 0.00 57.88 57.33 1y2z h LEU 91 Cb 0.30 -0.21 -0.05 0.00 0.09 0.00 0.00 40.66 40.79 1y2z h LEU 91 CO 0.00 0.72 -0.89 0.54 0.09 0.00 0.00 178.44 178.91 1y2z n ARG 92 N -4.50 -3.30 -2.19 1.13 1.74 0.70 -4.91 116.66 105.32 1y2z n ARG 92 Ca 0.04 0.41 -0.42 0.00 -0.77 0.00 0.00 57.85 57.11 1y2z n ARG 92 Cb 0.13 -4.53 -0.03 0.00 -1.02 0.00 0.00 32.46 27.01 1y2z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1y2z s VAL 93 N -3.96 3.35 0.37 1.55 1.01 -1.25 -4.96 120.40 116.51 1y2z s VAL 93 Ca 0.00 0.98 -0.28 0.00 0.00 0.00 0.00 61.98 62.68 1y2z s VAL 93 Cb -0.00 -3.63 -0.11 0.00 0.00 0.00 0.00 36.38 32.64 1y2z s VAL 93 CO 0.89 0.08 1.44 -0.62 0.00 0.00 0.00 175.10 176.89 1y2z s ASP 94 N 1.03 6.43 0.43 3.32 2.15 -1.26 -4.87 116.67 123.90 1y2z s ASP 94 Ca 0.63 2.95 0.19 0.00 0.43 0.00 0.00 52.55 56.75 1y2z s ASP 94 Cb -0.36 -2.66 1.13 0.00 -0.30 0.00 0.00 42.92 40.72 1y2z s ASP 94 CO 0.31 -0.80 1.87 -0.65 -0.17 0.00 0.00 175.17 175.72 1y2z h PRO 95 N 3.05 0.35 0.00 4.34 0.11 -2.00 -2.18 132.00 135.67 1y2z h PRO 95 Ca -0.50 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.59 1y2z h PRO 95 Cb 1.24 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1y2z h PRO 95 CO 0.64 0.23 -0.00 -0.39 -0.21 0.00 0.00 178.00 178.27 1y2z h VAL 96 N 0.36 0.75 0.00 3.15 -1.51 -2.04 -2.42 116.25 114.55 1y2z h VAL 96 Ca 0.45 -0.01 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 1y2z h VAL 96 Cb 1.20 1.01 0.00 0.00 -2.13 0.00 0.00 31.29 31.37 1y2z h VAL 96 CO -0.15 0.00 0.00 0.78 -1.23 0.00 0.00 177.57 176.97 1y2z h ASN 97 N 0.00 0.00 -0.49 4.19 4.21 -1.76 -3.07 115.58 118.66 1y2z h ASN 97 Ca -0.00 0.00 -0.12 0.00 1.21 0.00 0.00 56.30 57.39 1y2z h ASN 97 Cb 0.01 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.19 1y2z h ASN 97 CO 0.00 0.00 -0.16 -0.26 -1.29 0.00 0.00 177.43 175.72 1y2z h PHE 98 N 0.00 1.12 -0.13 1.19 0.04 -1.63 -2.74 116.94 114.79 1y2z h PHE 98 Ca 0.00 -0.25 -0.05 0.00 2.80 0.00 0.00 57.97 60.47 1y2z h PHE 98 Cb 0.39 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.26 1y2z h PHE 98 CO 0.00 1.07 -0.14 1.57 -0.60 0.00 0.00 178.31 180.20 1y2z h LYS 99 N 0.87 0.21 -0.25 1.51 2.10 -1.71 -0.85 116.57 118.45 1y2z h LYS 99 Ca 0.13 -0.05 -0.13 0.00 -2.00 0.00 0.00 60.65 58.60 1y2z h LYS 99 Cb 0.73 -0.03 -0.00 0.00 -0.90 0.00 0.00 32.23 32.03 1y2z h LYS 99 CO 0.06 0.36 -0.36 -0.07 -2.00 0.00 0.00 179.45 177.44 1y2z h LEU 100 N 0.20 0.74 -0.12 7.07 3.38 -1.59 -1.76 115.31 123.23 1y2z h LEU 100 Ca 0.04 -0.51 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1y2z h LEU 100 Cb 0.38 -0.21 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1y2z h LEU 100 CO 0.02 1.11 -0.13 0.25 0.09 0.00 0.00 178.44 179.78 1y2z h LEU 101 N 0.40 0.33 -0.45 1.67 5.85 -1.27 -1.95 115.31 119.89 1y2z h LEU 101 Ca 0.03 -0.49 0.09 0.00 0.84 0.00 0.00 57.88 58.35 1y2z h LEU 101 Cb 0.94 -0.09 -0.10 0.00 0.37 0.00 0.00 40.66 41.78 1y2z h LEU 101 CO 0.08 0.75 -0.25 0.28 -0.34 0.00 0.00 178.44 178.96 1y2z h SER 102 N -0.09 -0.86 -0.35 1.25 0.02 -1.17 0.86 113.55 113.21 1y2z h SER 102 Ca 0.02 0.18 0.05 0.00 -0.84 0.00 0.00 61.79 61.20 1y2z h SER 102 Cb 0.66 0.44 -0.04 0.00 0.14 0.00 0.00 62.40 63.60 1y2z h SER 102 CO 0.03 -0.27 0.09 -0.74 -1.14 0.00 0.00 176.83 174.80 1y2z h HIS 103 N -0.16 0.15 0.00 3.45 -0.00 -1.24 -1.62 115.15 115.73 1y2z h HIS 103 Ca 0.21 0.02 -0.04 0.00 -0.00 0.00 0.00 60.37 60.56 1y2z h HIS 103 Cb 0.49 -0.02 -0.01 0.00 -0.00 0.00 0.00 27.41 27.88 1y2z h HIS 103 CO -0.50 0.04 -0.17 0.00 -0.00 0.00 0.00 177.93 177.30 1y2z h LEU 105 N 0.00 0.88 -0.72 0.00 5.85 -0.08 -2.50 115.31 118.74 1y2z h LEU 105 Ca -0.00 -0.57 -0.06 0.00 0.84 0.00 0.00 57.88 58.09 1y2z h LEU 105 Cb 0.47 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.22 1y2z h LEU 105 CO 0.02 1.29 0.20 -0.07 -0.34 0.00 0.00 178.44 179.54 1y2z h LEU 106 N 0.51 1.07 -0.35 2.25 3.38 -1.03 -1.44 115.31 119.70 1y2z h LEU 106 Ca -0.01 -0.22 -0.07 0.00 0.09 0.00 0.00 57.88 57.68 1y2z h LEU 106 Cb 1.17 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 41.63 1y2z h LEU 106 CO 0.12 1.01 -0.04 0.58 0.09 0.00 0.00 178.44 180.20 1y2z h VAL 107 N 1.08 1.27 -0.25 1.22 2.07 -1.45 -1.63 116.25 118.55 1y2z h VAL 107 Ca 0.23 -1.07 -0.01 0.00 0.82 0.00 0.00 66.70 66.67 1y2z h VAL 107 Cb 0.34 1.26 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1y2z h VAL 107 CO -0.00 0.35 0.11 0.74 0.02 0.00 0.00 177.57 178.79 1y2z h THR 108 N 0.45 1.16 -0.43 2.57 2.02 -1.24 -0.89 112.91 116.54 1y2z h THR 108 Ca 0.09 -0.46 -0.03 0.00 0.77 0.00 0.00 66.41 66.79 1y2z h THR 108 Cb 0.53 0.99 -0.02 0.00 -1.74 0.00 0.00 68.15 67.91 1y2z h THR 108 CO 0.03 0.16 0.17 -0.07 0.37 0.00 0.00 175.52 176.17 1y2z h LEU 109 N 0.27 0.60 -0.55 2.58 3.38 -1.27 -2.00 115.31 118.32 1y2z h LEU 109 Ca 0.09 -0.17 0.06 0.00 0.09 0.00 0.00 57.88 57.94 1y2z h LEU 109 Cb 0.15 -0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 1y2z h LEU 109 CO -0.01 0.61 0.26 0.00 0.09 0.00 0.00 178.44 179.38 1y2z h ALA 110 N 1.01 0.71 0.00 1.53 0.00 -1.13 0.69 119.26 122.07 1y2z h ALA 110 Ca 0.14 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1y2z h ALA 110 Cb 0.20 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1y2z h ALA 110 CO -0.01 -0.11 -0.01 0.00 0.00 0.00 0.00 179.25 179.12 1y2z h ALA 111 N 1.32 1.01 0.00 0.00 0.00 -0.84 -3.29 119.26 117.46 1y2z h ALA 111 Ca 0.25 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.12 1y2z h ALA 111 Cb 0.21 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.99 1y2z h ALA 111 CO -0.20 0.01 -1.47 0.72 0.00 0.00 0.00 179.25 178.31 1y2z n HIS 112 N -3.11 0.00 -3.14 0.00 -0.00 -0.50 -4.81 115.22 103.66 1y2z n HIS 112 Ca -0.01 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.45 1y2z n HIS 112 Cb 0.23 -0.26 -0.05 0.00 -0.00 0.00 0.00 29.99 29.90 1y2z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1y2z n LEU 113 N -1.94 3.68 -0.19 2.41 4.77 0.12 -4.95 117.00 120.89 1y2z n LEU 113 Ca -0.05 -5.49 -0.04 0.00 -0.03 0.00 0.00 56.01 50.41 1y2z n LEU 113 Cb 0.37 -0.41 0.06 0.00 -2.33 0.00 0.00 43.42 41.11 1y2z n LEU 113 CO 0.19 2.24 1.05 1.55 -1.33 0.00 0.00 177.39 181.09 1y2z h PRO 114 N 3.44 0.56 -0.23 3.23 0.13 -1.82 0.15 132.00 137.46 1y2z h PRO 114 Ca 0.15 -0.03 -0.12 0.00 -0.87 0.00 0.00 66.00 65.12 1y2z h PRO 114 Cb 0.62 -0.13 -0.01 0.00 0.13 0.00 0.00 31.00 31.61 1y2z h PRO 114 CO 0.78 0.37 -0.36 0.00 -0.23 0.00 0.00 178.00 178.55 1y2z h ALA 115 N 1.29 0.95 0.00 -0.56 0.00 -1.93 -3.25 119.26 115.76 1y2z h ALA 115 Ca 0.24 -0.41 -0.17 0.00 0.00 0.00 0.00 54.91 54.57 1y2z h ALA 115 Cb 0.13 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 17.78 1y2z h ALA 115 CO -0.15 0.62 -1.36 1.05 0.00 0.00 0.00 179.25 179.40 1y2z h GLU 116 N 0.42 0.00 -3.72 0.00 9.09 -1.91 -3.41 114.58 115.06 1y2z h GLU 116 Ca 0.04 0.00 -0.43 0.00 0.05 0.00 0.00 59.36 59.02 1y2z h GLU 116 Cb 0.83 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 27.95 1y2z h GLU 116 CO 0.07 0.31 2.48 0.34 0.05 0.00 0.00 179.01 182.26 1y2z n PHE 117 N -2.92 1.45 -2.24 2.06 7.35 0.48 -4.68 117.46 118.97 1y2z n PHE 117 Ca -0.09 -1.88 -0.28 0.00 -0.76 0.00 0.00 57.45 54.45 1y2z n PHE 117 Cb 0.84 -1.64 0.03 0.00 0.35 0.00 0.00 39.48 39.06 1y2z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1y2z s THR 118 N 3.86 3.71 0.24 -2.13 -4.23 -1.26 -4.81 115.64 111.01 1y2z s THR 118 Ca 0.42 0.19 -0.06 0.00 -1.18 0.00 0.00 61.69 61.06 1y2z s THR 118 Cb 0.11 -3.50 0.21 0.00 1.34 0.00 0.00 72.50 70.66 1y2z s THR 118 CO 0.00 -0.56 1.70 -0.65 -0.54 0.00 0.00 174.62 174.58 1y2z h PRO 119 N -0.30 0.31 -0.32 3.99 0.11 -1.99 0.27 132.00 134.06 1y2z h PRO 119 Ca -0.45 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.60 1y2z h PRO 119 Cb 1.25 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y2z h PRO 119 CO 0.62 0.20 0.06 0.00 -0.21 0.00 0.00 178.00 178.67 1y2z h ALA 120 N 1.56 0.43 -0.27 -0.75 0.00 -1.94 -2.36 119.26 115.93 1y2z h ALA 120 Ca 0.39 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 55.06 1y2z h ALA 120 Cb 0.63 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.29 1y2z h ALA 120 CO -0.45 0.12 -0.02 0.28 0.00 0.00 0.00 179.25 179.17 1y2z h VAL 121 N 0.36 1.27 -0.39 0.00 2.07 -1.58 -2.32 116.25 115.65 1y2z h VAL 121 Ca 0.10 -0.99 0.08 0.00 0.82 0.00 0.00 66.70 66.71 1y2z h VAL 121 Cb 0.34 1.36 -0.08 0.00 -1.52 0.00 0.00 31.29 31.39 1y2z h VAL 121 CO 0.01 0.31 -0.16 -0.74 0.02 0.00 0.00 177.57 177.01 1y2z h HIS 122 N 0.27 -0.39 -0.58 1.57 6.17 -0.47 -0.45 115.15 121.27 1y2z h HIS 122 Ca 0.07 0.04 -0.02 0.00 0.71 0.00 0.00 60.37 61.17 1y2z h HIS 122 Cb 0.47 0.23 -0.03 0.00 2.52 0.00 0.00 27.41 30.61 1y2z h HIS 122 CO 0.04 -0.24 0.28 0.00 0.71 0.00 0.00 177.93 178.72 1y2z h ALA 123 N 1.23 0.75 -0.52 5.26 0.00 -1.38 -1.25 119.26 123.35 1y2z h ALA 123 Ca 0.19 -0.13 -0.05 0.00 0.00 0.00 0.00 54.91 54.93 1y2z h ALA 123 Cb 0.38 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1y2z h ALA 123 CO -0.45 0.32 0.15 0.77 0.00 0.00 0.00 179.25 180.04 1y2z h SER 124 N 0.79 0.77 -0.12 0.00 0.02 -0.84 -1.35 113.55 112.82 1y2z h SER 124 Ca 0.20 -0.22 -0.09 0.00 -0.84 0.00 0.00 61.79 60.84 1y2z h SER 124 Cb 0.13 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 62.45 1y2z h SER 124 CO -0.02 0.79 -0.20 -0.07 -1.14 0.00 0.00 176.83 176.19 1y2z h LEU 125 N 0.72 0.53 -0.12 5.07 3.38 -1.01 -1.46 115.31 122.43 1y2z h LEU 125 Ca 0.17 -0.16 -0.07 0.00 0.09 0.00 0.00 57.88 57.91 1y2z h LEU 125 Cb 0.30 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 40.91 1y2z h LEU 125 CO -0.00 0.73 -0.19 -0.78 0.09 0.00 0.00 178.44 178.29 1y2z h ASP 126 N 0.48 0.37 -0.88 -0.43 3.58 -0.98 -1.64 116.42 116.92 1y2z h ASP 126 Ca 0.08 -0.54 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1y2z h ASP 126 Cb 0.61 -0.11 -0.04 0.00 1.72 0.00 0.00 39.33 41.51 1y2z h ASP 126 CO 0.04 0.84 0.50 0.11 -2.88 0.00 0.00 179.24 177.84 1y2z h LYS 127 N -0.08 1.22 0.52 0.28 1.57 -1.08 -1.75 116.57 117.25 1y2z h LYS 127 Ca 0.01 -0.13 -0.02 0.00 -1.87 0.00 0.00 60.65 58.64 1y2z h LYS 127 Cb 0.76 -0.24 -0.01 0.00 0.08 0.00 0.00 32.23 32.82 1y2z h LYS 127 CO 0.04 0.88 -0.35 0.35 -0.57 0.00 0.00 179.45 179.81 1y2z h PHE 128 N 1.23 -0.93 -0.43 -1.35 3.57 -1.22 -1.63 116.94 116.18 1y2z h PHE 128 Ca 0.31 -0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.81 1y2z h PHE 128 Cb 0.01 0.34 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1y2z h PHE 128 CO 0.01 -0.52 0.28 -0.07 -2.23 0.00 0.00 178.31 175.78 1y2z h LEU 129 N -0.84 0.48 -0.87 0.59 3.38 -1.15 -0.40 115.31 116.51 1y2z h LEU 129 Ca -0.06 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 1y2z h LEU 129 Cb 0.70 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 41.30 1y2z h LEU 129 CO 0.04 0.35 0.04 0.00 0.09 0.00 0.00 178.44 178.96 1y2z h ALA 130 N 1.74 1.06 -0.21 1.53 0.00 -0.98 -1.42 119.26 120.98 1y2z h ALA 130 Ca 0.16 -0.26 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1y2z h ALA 130 Cb -0.05 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 1y2z h ALA 130 CO -0.04 0.59 -0.33 0.77 0.00 0.00 0.00 179.25 180.25 1y2z h SER 131 N 0.82 0.66 -0.27 0.00 0.02 -0.32 -1.87 113.55 112.60 1y2z h SER 131 Ca 0.16 -0.52 0.00 0.00 -0.84 0.00 0.00 61.79 60.60 1y2z h SER 131 Cb 0.44 -0.19 -0.01 0.00 0.14 0.00 0.00 62.40 62.77 1y2z h SER 131 CO 0.02 1.05 0.18 0.58 -1.14 0.00 0.00 176.83 177.52 1y2z h VAL 132 N 0.29 1.07 -0.90 2.27 2.07 -0.96 -1.90 116.25 118.19 1y2z h VAL 132 Ca 0.02 -0.13 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1y2z h VAL 132 Cb 0.91 0.67 -0.06 0.00 -1.52 0.00 0.00 31.29 31.30 1y2z h VAL 132 CO 0.08 0.07 0.57 0.28 0.02 0.00 0.00 177.57 178.58 1y2z h SER 133 N 0.36 0.93 -0.77 0.57 0.02 -1.24 -0.92 113.55 112.51 1y2z h SER 133 Ca 0.10 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.01 1y2z h SER 133 Cb -0.04 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.27 1y2z h SER 133 CO -0.02 0.62 0.31 0.74 -1.14 0.00 0.00 176.83 177.33 1y2z h THR 134 N 1.08 1.26 -0.03 -2.27 2.02 -1.10 -2.52 112.91 111.35 1y2z h THR 134 Ca 0.37 -0.81 -0.01 0.00 0.77 0.00 0.00 66.41 66.73 1y2z h THR 134 Cb 0.08 0.35 -0.00 0.00 -1.74 0.00 0.00 68.15 66.83 1y2z h THR 134 CO -0.14 0.33 -0.00 0.58 0.37 0.00 0.00 175.52 176.65 1y2z h VAL 135 N 1.12 1.28 0.00 3.16 2.07 -0.76 -1.48 116.25 121.63 1y2z h VAL 135 Ca 0.26 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.94 1y2z h VAL 135 Cb 0.22 1.77 0.00 0.00 -1.52 0.00 0.00 31.29 31.76 1y2z h VAL 135 CO -0.02 0.22 0.00 -0.07 0.02 0.00 0.00 177.57 177.72 1y2z h LEU 136 N -0.27 0.00 -0.89 2.57 3.38 -1.01 -2.57 115.31 116.52 1y2z h LEU 136 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1y2z h LEU 136 Cb 0.36 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.11 1y2z h LEU 136 CO 0.00 0.00 -0.11 0.41 0.09 0.00 0.00 178.44 178.83 1y2z n THR 137 N -2.37 0.00 0.24 0.22 -1.04 -0.96 -4.47 114.28 105.90 1y2z n THR 137 Ca -0.01 -0.44 0.07 0.00 -2.04 0.00 0.00 64.05 61.63 1y2z n THR 137 Cb 0.09 1.12 0.57 0.00 -1.82 0.00 0.00 70.33 70.29 1y2z n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1y2z h SER 138 N 1.09 0.01 -0.62 8.00 4.64 -0.84 -2.93 113.55 122.90 1y2z h SER 138 Ca 0.00 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y2z h SER 138 Cb 0.29 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.38 1y2z h SER 138 CO 0.00 0.10 0.00 0.29 -0.87 0.00 0.00 176.83 176.35 1y2z n LYS 139 N -4.43 4.08 -0.06 4.77 5.02 -1.26 -4.63 118.16 121.64 1y2z n LYS 139 Ca -0.03 -2.98 -0.02 0.00 -2.02 0.00 0.00 58.31 53.27 1y2z n LYS 139 Cb 0.16 -2.01 0.23 0.00 -0.02 0.00 0.00 35.03 33.40 1y2z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1y2z h TYR 140 N 3.99 0.69 0.00 2.13 0.99 -1.84 -3.46 116.97 119.47 1y2z h TYR 140 Ca 0.00 -0.08 0.00 0.00 2.00 0.00 0.00 58.73 60.65 1y2z h TYR 140 Cb 1.62 -0.20 0.00 0.00 1.00 0.00 0.00 36.73 39.15 1y2z h TYR 140 CO 0.86 0.66 0.00 2.89 -0.00 0.00 0.00 178.16 182.57