#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0z s LEU 2 N 0.00 4.27 0.78 7.52 1.43 -1.26 -5.04 118.68 126.38 1a0z s LEU 2 Ca 0.00 1.59 -0.10 0.00 -1.03 0.00 0.00 54.13 54.59 1a0z s LEU 2 Cb 0.00 -3.56 0.09 0.00 0.03 0.00 0.00 46.19 42.75 1a0z s LEU 2 CO 0.00 -0.43 1.12 -0.94 0.23 0.00 0.00 176.35 176.33 1a0z s SER 3 N 1.12 4.46 0.27 2.29 1.04 -1.26 -4.90 113.70 116.73 1a0z s SER 3 Ca 0.50 0.55 -0.03 0.00 0.48 0.00 0.00 55.95 57.45 1a0z s SER 3 Cb -0.20 -1.05 0.36 0.00 0.10 0.00 0.00 66.02 65.23 1a0z s SER 3 CO 0.20 -1.88 1.90 -0.65 0.98 0.00 0.00 173.24 173.80 1a0z h PRO 4 N -0.92 1.09 -0.78 4.02 0.11 -2.00 -1.83 132.00 131.69 1a0z h PRO 4 Ca -0.45 -0.12 -0.01 0.00 0.11 0.00 0.00 66.00 65.54 1a0z h PRO 4 Cb 1.31 -0.22 -0.04 0.00 0.11 0.00 0.00 31.00 32.16 1a0z h PRO 4 CO 0.60 0.79 0.47 0.00 -0.21 0.00 0.00 178.00 179.65 1a0z h ALA 5 N 1.39 1.00 -0.13 -0.75 0.00 -1.99 -1.84 119.26 116.93 1a0z h ALA 5 Ca 0.28 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.09 1a0z h ALA 5 Cb 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 17.79 17.48 1a0z h ALA 5 CO -0.05 0.47 0.06 -0.44 0.00 0.00 0.00 179.25 179.30 1a0z h ASP 6 N 1.08 0.18 -0.95 0.00 3.32 -1.77 -0.72 116.42 117.56 1a0z h ASP 6 Ca 0.28 -0.12 0.05 0.00 0.02 0.00 0.00 57.03 57.26 1a0z h ASP 6 Cb -0.03 -0.05 -0.06 0.00 0.22 0.00 0.00 39.33 39.41 1a0z h ASP 6 CO -0.05 0.25 0.61 0.11 -1.72 0.00 0.00 179.24 178.43 1a0z h LYS 7 N 0.09 1.10 0.11 3.56 1.57 -0.92 0.28 116.57 122.35 1a0z h LYS 7 Ca 0.05 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1a0z h LYS 7 Cb 0.12 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.16 1a0z h LYS 7 CO -0.01 0.73 -0.18 1.15 -0.57 0.00 0.00 179.45 180.57 1a0z h THR 8 N 1.13 0.58 -0.19 -0.16 2.02 -1.15 -0.38 112.91 114.76 1a0z h THR 8 Ca 0.40 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.62 1a0z h THR 8 Cb 0.11 0.58 -0.04 0.00 -1.74 0.00 0.00 68.15 67.06 1a0z h THR 8 CO -0.15 0.00 -0.08 0.78 0.37 0.00 0.00 175.52 176.44 1a0z h ASN 9 N -0.36 -0.26 -0.24 4.18 2.35 -0.48 -1.52 115.58 119.25 1a0z h ASN 9 Ca 0.02 0.07 -0.01 0.00 -0.55 0.00 0.00 56.30 55.84 1a0z h ASN 9 Cb 0.38 0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.89 1a0z h ASN 9 CO -0.10 -0.10 0.13 0.58 -1.65 0.00 0.00 177.43 176.29 1a0z h VAL 10 N -0.04 1.12 -0.95 2.81 2.07 -0.72 -1.28 116.25 119.26 1a0z h VAL 10 Ca 0.10 -0.32 0.07 0.00 0.82 0.00 0.00 66.70 67.37 1a0z h VAL 10 Cb 0.20 0.89 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 1a0z h VAL 10 CO -0.22 0.12 0.61 0.11 0.02 0.00 0.00 177.57 178.21 1a0z h LYS 11 N 0.28 1.04 -0.08 1.57 1.57 -0.89 0.04 116.57 120.12 1a0z h LYS 11 Ca 0.09 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1a0z h LYS 11 Cb 0.07 -0.24 -0.00 0.00 0.08 0.00 0.00 32.23 32.14 1a0z h LYS 11 CO -0.01 0.69 -0.00 0.00 -0.57 0.00 0.00 179.45 179.56 1a0z h ALA 12 N 1.49 0.11 -0.27 3.86 0.00 -0.93 -1.54 119.26 121.98 1a0z h ALA 12 Ca 0.41 -0.18 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1a0z h ALA 12 Cb 0.22 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.98 1a0z h ALA 12 CO -0.16 -0.21 -0.57 0.00 0.00 0.00 0.00 179.25 178.31 1a0z h ALA 13 N 0.72 0.49 0.00 0.00 0.00 -1.05 -2.95 119.26 116.47 1a0z h ALA 13 Ca 0.02 -0.52 -0.07 0.00 0.00 0.00 0.00 54.91 54.34 1a0z h ALA 13 Cb 0.35 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 1a0z h ALA 13 CO 0.00 0.68 -0.35 2.35 0.00 0.00 0.00 179.25 181.94 1a0z h TRP 14 N 0.63 0.00 -0.35 0.00 2.91 -1.02 -2.80 115.95 115.32 1a0z h TRP 14 Ca 0.01 0.00 -0.01 0.00 1.13 0.00 0.00 58.89 60.01 1a0z h TRP 14 Cb 1.17 0.00 -0.02 0.00 -0.51 0.00 0.00 29.16 29.80 1a0z h TRP 14 CO 0.07 0.35 0.16 0.78 -1.03 0.00 0.00 178.44 178.77 1a0z h GLY 15 N 1.81 0.55 2.00 2.65 0.00 -1.14 -2.69 103.07 106.25 1a0z h GLY 15 Ca -0.00 -0.28 -0.07 0.00 0.00 0.00 0.00 47.33 46.98 1a0z h GLY 15 CO 0.05 0.27 -0.34 0.50 0.00 0.00 0.00 176.54 177.01 1a0z h LYS 16 N 0.43 0.00 -0.11 4.80 1.79 -1.34 -3.00 116.57 119.14 1a0z h LYS 16 Ca 0.12 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.58 1a0z h LYS 16 Cb 0.14 0.00 -0.00 0.00 -1.58 0.00 0.00 32.23 30.78 1a0z h LYS 16 CO -0.01 0.34 0.01 0.28 -1.08 0.00 0.00 179.45 178.99 1a0z h VAL 17 N 0.00 1.23 0.00 0.50 2.07 -1.30 -3.46 116.25 115.29 1a0z h VAL 17 Ca -0.00 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.80 1a0z h VAL 17 Cb 0.70 1.49 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1a0z h VAL 17 CO 0.04 0.20 0.00 0.61 0.02 0.00 0.00 177.57 178.45 1a0z n GLY 18 N -0.38 2.69 0.11 2.17 0.00 -1.03 -0.89 105.19 107.86 1a0z n GLY 18 Ca -0.06 0.26 0.10 0.00 0.00 0.00 0.00 46.02 46.33 1a0z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0z n ALA 19 N 10.53 1.48 1.48 4.61 0.00 -1.26 -2.22 120.51 135.14 1a0z n ALA 19 Ca 0.00 0.09 0.14 0.00 0.00 0.00 0.00 53.44 53.67 1a0z n ALA 19 Cb 0.00 -1.33 0.57 0.00 0.00 0.00 0.00 19.45 18.69 1a0z n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0z n HIS 20 N -2.11 0.00 -0.27 0.00 8.25 -0.07 -4.53 115.22 116.50 1a0z n HIS 20 Ca 0.01 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.36 1a0z n HIS 20 Cb 0.16 -0.08 -0.09 0.00 1.12 0.00 0.00 29.99 31.10 1a0z n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a0z h ALA 21 N 3.95 -0.64 -0.78 -1.41 0.00 -1.52 -1.66 119.26 117.20 1a0z h ALA 21 Ca 0.00 0.06 0.10 0.00 0.00 0.00 0.00 54.91 55.07 1a0z h ALA 21 Cb 0.39 1.24 -0.05 0.00 0.00 0.00 0.00 17.79 19.37 1a0z h ALA 21 CO 0.00 -0.96 0.51 0.78 0.00 0.00 0.00 179.25 179.58 1a0z h GLY 22 N -0.18 0.98 1.09 0.00 0.00 -1.82 0.19 103.07 103.32 1a0z h GLY 22 Ca 0.11 -0.28 -0.18 0.00 0.00 0.00 0.00 47.33 46.98 1a0z h GLY 22 CO -0.73 0.15 -0.56 -2.09 0.00 0.00 0.00 176.54 173.32 1a0z h GLU 23 N 0.66 0.79 -0.47 4.80 4.81 -1.68 -1.99 114.58 121.50 1a0z h GLU 23 Ca 0.36 -0.54 -0.12 0.00 -0.13 0.00 0.00 59.36 58.94 1a0z h GLU 23 Cb 0.51 0.08 -0.02 0.00 0.63 0.00 0.00 28.75 29.95 1a0z h GLU 23 CO -0.14 1.16 -0.17 1.88 -0.73 0.00 0.00 179.01 181.01 1a0z h TYR 24 N 0.54 1.04 0.23 0.92 -1.99 -0.62 -1.60 116.97 115.49 1a0z h TYR 24 Ca -0.00 -0.23 0.01 0.00 2.00 0.00 0.00 58.73 60.51 1a0z h TYR 24 Cb 1.17 -0.25 -0.03 0.00 2.00 0.00 0.00 36.73 39.62 1a0z h TYR 24 CO 0.08 1.01 -0.32 0.78 -0.00 0.00 0.00 178.16 179.72 1a0z h GLY 25 N 0.93 -0.68 1.51 3.88 0.00 -0.58 0.96 103.07 109.09 1a0z h GLY 25 Ca 0.12 0.37 -0.03 0.00 0.00 0.00 0.00 47.33 47.79 1a0z h GLY 25 CO 0.06 -0.26 0.14 0.00 0.00 0.00 0.00 176.54 176.48 1a0z h ALA 26 N -0.02 1.43 -0.31 3.60 0.00 -1.26 -2.05 119.26 120.64 1a0z h ALA 26 Ca 0.00 -0.14 -0.04 0.00 0.00 0.00 0.00 54.91 54.74 1a0z h ALA 26 Cb 0.59 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1a0z h ALA 26 CO -0.12 0.42 0.06 1.49 0.00 0.00 0.00 179.25 181.10 1a0z h GLU 27 N 0.63 0.51 -0.72 0.00 4.81 -0.71 -1.89 114.58 117.20 1a0z h GLU 27 Ca 0.15 -0.13 -0.01 0.00 -0.13 0.00 0.00 59.36 59.23 1a0z h GLU 27 Cb 0.18 -0.06 -0.03 0.00 0.63 0.00 0.00 28.75 29.46 1a0z h GLU 27 CO -0.01 0.60 0.39 0.00 -0.73 0.00 0.00 179.01 179.26 1a0z h ALA 28 N 0.89 0.92 -0.37 2.92 0.00 -0.61 0.61 119.26 123.63 1a0z h ALA 28 Ca 0.10 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1a0z h ALA 28 Cb 0.33 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1a0z h ALA 28 CO 0.00 0.43 0.24 -0.07 0.00 0.00 0.00 179.25 179.86 1a0z h LEU 29 N 0.99 0.43 -0.25 0.00 3.38 -1.22 -0.58 115.31 118.04 1a0z h LEU 29 Ca 0.25 -0.02 0.02 0.00 0.09 0.00 0.00 57.88 58.22 1a0z h LEU 29 Cb 0.04 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.66 1a0z h LEU 29 CO -0.04 0.33 0.10 -0.08 0.09 0.00 0.00 178.44 178.83 1a0z h GLU 30 N 0.49 0.21 -0.75 1.13 4.81 -1.02 0.17 114.58 119.62 1a0z h GLU 30 Ca 0.13 -0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.41 1a0z h GLU 30 Cb -0.04 -0.05 -0.06 0.00 0.63 0.00 0.00 28.75 29.24 1a0z h GLU 30 CO -0.03 0.14 0.45 0.00 -0.73 0.00 0.00 179.01 178.85 1a0z h ARG 31 N 0.22 0.82 0.18 1.92 3.08 -0.58 -2.21 114.38 117.80 1a0z h ARG 31 Ca 0.11 -0.05 -0.01 0.00 0.07 0.00 0.00 59.98 60.10 1a0z h ARG 31 Cb 0.07 -0.18 0.00 0.00 0.08 0.00 0.00 29.97 29.94 1a0z h ARG 31 CO -0.10 0.54 -0.09 1.98 -1.07 0.00 0.00 179.97 181.23 1a0z h MET 32 N 0.84 -0.23 -0.62 0.04 4.05 -0.38 0.16 114.93 118.79 1a0z h MET 32 Ca 0.33 0.02 0.07 0.00 -0.28 0.00 0.00 59.70 59.83 1a0z h MET 32 Cb 0.15 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.96 1a0z h MET 32 CO -0.16 -0.10 0.41 0.74 0.23 0.00 0.00 176.91 178.03 1a0z h PHE 33 N -0.32 0.58 0.16 1.39 0.04 -0.81 0.60 116.94 118.59 1a0z h PHE 33 Ca -0.02 0.01 -0.34 0.00 2.80 0.00 0.00 57.97 60.42 1a0z h PHE 33 Cb 0.24 -0.19 0.00 0.00 2.20 0.00 0.00 35.95 38.21 1a0z h PHE 33 CO -0.04 0.30 -1.68 -0.07 -0.60 0.00 0.00 178.31 176.22 1a0z h LEU 34 N 0.57 0.54 -0.05 1.54 3.38 -1.22 -3.28 115.31 116.79 1a0z h LEU 34 Ca 0.27 -0.80 -0.25 0.00 0.09 0.00 0.00 57.88 57.20 1a0z h LEU 34 Cb 0.33 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.91 1a0z h LEU 34 CO -0.08 1.67 -1.07 0.28 0.09 0.00 0.00 178.44 179.33 1a0z h SER 35 N 0.09 0.53 -2.69 -0.43 0.02 -0.18 -3.40 113.55 107.49 1a0z h SER 35 Ca -0.31 -0.48 -0.60 0.00 -0.84 0.00 0.00 61.79 59.56 1a0z h SER 35 Cb 2.08 -0.17 -0.39 0.00 0.14 0.00 0.00 62.40 64.05 1a0z h SER 35 CO 0.17 1.30 -0.82 -0.36 -1.14 0.00 0.00 176.83 175.98 1a0z s PHE 36 N -3.05 1.95 0.59 3.45 0.08 0.21 -4.99 117.98 116.22 1a0z s PHE 36 Ca -0.06 -2.64 0.29 0.00 0.12 0.00 0.00 56.93 54.64 1a0z s PHE 36 Cb 0.08 -1.57 1.57 0.00 -0.57 0.00 0.00 43.02 42.53 1a0z s PHE 36 CO 0.88 -0.73 2.00 -1.35 -0.10 0.00 0.00 175.22 175.91 1a0z h PRO 37 N 5.69 0.00 0.00 0.24 0.11 -1.72 -1.88 132.00 134.43 1a0z h PRO 37 Ca 0.20 0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.29 1a0z h PRO 37 Cb 0.86 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.97 1a0z h PRO 37 CO 0.49 0.00 -0.11 1.79 -0.21 0.00 0.00 178.00 179.96 1a0z h THR 38 N 0.00 0.54 0.00 -1.15 1.35 -1.91 -1.71 112.91 110.03 1a0z h THR 38 Ca 0.14 -0.51 -0.01 0.00 -0.55 0.00 0.00 66.41 65.48 1a0z h THR 38 Cb 0.83 1.34 -0.00 0.00 -1.73 0.00 0.00 68.15 68.58 1a0z h THR 38 CO -0.00 0.11 -0.06 0.71 -0.25 0.00 0.00 175.52 176.03 1a0z h THR 39 N 0.00 0.24 0.00 6.82 1.35 -1.67 -2.30 112.91 117.36 1a0z h THR 39 Ca -0.00 -0.44 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 1a0z h THR 39 Cb 0.33 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 1a0z h THR 39 CO 0.01 0.06 0.00 0.11 -0.25 0.00 0.00 175.52 175.45 1a0z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.50 -2.63 116.57 118.73 1a0z h LYS 40 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a0z h LYS 40 Cb 0.34 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.65 1a0z h LYS 40 CO 0.01 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.68 1a0z h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.58 -0.88 112.91 111.64 1a0z h THR 41 Ca 0.00 -0.19 0.00 0.00 -0.55 0.00 0.00 66.41 65.67 1a0z h THR 41 Cb 0.27 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.80 1a0z h THR 41 CO 0.00 0.00 -0.38 -1.22 -0.25 0.00 0.00 175.52 173.67 1a0z n TYR 42 N -2.92 0.00 -2.79 4.73 4.01 -0.99 -4.29 117.16 114.91 1a0z n TYR 42 Ca -0.01 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.52 1a0z n TYR 42 Cb 0.16 -0.26 -0.01 0.00 -0.31 0.00 0.00 39.34 38.92 1a0z n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a0z n PHE 43 N -1.36 2.32 0.25 -0.72 3.01 -0.34 -4.83 117.46 115.80 1a0z n PHE 43 Ca 0.07 -3.40 0.13 0.00 1.01 0.00 0.00 57.45 55.25 1a0z n PHE 43 Cb 0.33 -0.33 0.62 0.00 -0.01 0.00 0.00 39.48 40.09 1a0z n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a0z h PRO 44 N 2.87 0.00 -0.31 -1.08 0.13 -1.74 -2.68 132.00 129.20 1a0z h PRO 44 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 1a0z h PRO 44 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1a0z h PRO 44 CO 0.68 0.15 0.00 -2.39 -0.23 0.00 0.00 178.00 176.21 1a0z n HIS 45 N -3.41 0.40 -4.15 1.56 1.44 -1.26 -4.90 115.22 104.91 1a0z n HIS 45 Ca -0.01 -0.20 -0.29 0.00 -2.01 0.00 0.00 57.72 55.21 1a0z n HIS 45 Cb 0.33 0.00 -0.08 0.00 0.12 0.00 0.00 29.99 30.36 1a0z n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a0z s PHE 46 N -1.60 2.95 -0.43 -1.40 0.40 -1.01 -5.07 117.98 111.83 1a0z s PHE 46 Ca 0.29 -0.06 -0.24 0.00 -0.60 0.00 0.00 56.93 56.32 1a0z s PHE 46 Cb 0.15 -1.50 0.02 0.00 0.51 0.00 0.00 43.02 42.21 1a0z s PHE 46 CO 0.21 0.49 0.84 0.34 0.70 0.00 0.00 175.22 177.79 1a0z s ASP 47 N -2.47 6.48 0.00 1.36 2.15 -1.26 -4.90 116.67 118.03 1a0z s ASP 47 Ca 0.26 0.10 0.19 0.00 0.43 0.00 0.00 52.55 53.53 1a0z s ASP 47 Cb -0.11 -2.41 0.53 0.00 -0.30 0.00 0.00 42.92 40.63 1a0z s ASP 47 CO 0.18 -0.92 1.44 0.18 -0.17 0.00 0.00 175.17 175.89 1a0z n LEU 48 N 6.80 3.17 -4.76 -1.34 4.77 -1.26 -4.52 117.00 119.86 1a0z n LEU 48 Ca 0.04 -1.56 -0.33 0.00 -0.03 0.00 0.00 56.01 54.14 1a0z n LEU 48 Cb 0.48 -0.37 0.07 0.00 -2.33 0.00 0.00 43.42 41.26 1a0z n LEU 48 CO 0.59 0.78 0.74 -0.94 -1.33 0.00 0.00 177.39 177.23 1a0z s SER 49 N -1.07 4.79 0.05 -1.43 1.04 -1.26 -4.90 113.70 110.92 1a0z s SER 49 Ca 0.40 2.01 -0.35 0.00 0.48 0.00 0.00 55.95 58.49 1a0z s SER 49 Cb 0.21 -2.55 -0.14 0.00 0.10 0.00 0.00 66.02 63.64 1a0z s SER 49 CO 0.28 -1.84 1.65 1.57 0.98 0.00 0.00 173.24 175.88 1a0z n HIS 50 N -2.74 2.18 -1.17 5.02 -0.00 -1.26 -0.89 115.22 116.36 1a0z n HIS 50 Ca 0.10 0.25 -0.06 0.00 0.46 0.00 0.00 57.72 58.47 1a0z n HIS 50 Cb 0.52 -2.55 -0.02 0.00 -0.12 0.00 0.00 29.99 27.82 1a0z n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a0z n GLY 51 N 3.66 0.78 3.59 1.57 0.00 -1.26 -4.98 105.19 108.55 1a0z n GLY 51 Ca 0.19 -0.37 -0.41 0.00 0.00 0.00 0.00 46.02 45.44 1a0z n GLY 51 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1a0z n SER 52 N 0.11 0.91 0.12 1.61 3.41 -0.07 -4.82 113.62 114.88 1a0z n SER 52 Ca -0.06 0.98 -0.00 0.00 -0.26 0.00 0.00 58.87 59.53 1a0z n SER 52 Cb 0.28 -1.33 0.28 0.00 -0.26 0.00 0.00 64.21 63.18 1a0z n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1a0z h ALA 53 N 1.27 1.24 -0.33 7.33 0.00 -1.90 -2.02 119.26 124.86 1a0z h ALA 53 Ca -0.45 -0.36 -0.01 0.00 0.00 0.00 0.00 54.91 54.09 1a0z h ALA 53 Cb 1.35 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1a0z h ALA 53 CO 0.55 0.52 0.16 1.96 0.00 0.00 0.00 179.25 182.44 1a0z h GLN 54 N 0.16 0.47 -0.32 0.00 4.20 -1.88 0.77 115.11 118.51 1a0z h GLN 54 Ca 0.02 -0.07 -0.12 0.00 0.06 0.00 0.00 58.65 58.54 1a0z h GLN 54 Cb 0.70 -0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.38 1a0z h GLN 54 CO 0.05 0.44 -0.29 0.28 -0.67 0.00 0.00 178.83 178.64 1a0z h VAL 55 N 0.40 1.28 -0.03 -0.54 2.07 -1.76 0.34 116.25 118.01 1a0z h VAL 55 Ca 0.11 -1.41 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1a0z h VAL 55 Cb 0.12 1.34 -0.00 0.00 -1.52 0.00 0.00 31.29 31.23 1a0z h VAL 55 CO -0.01 0.46 0.01 0.11 0.02 0.00 0.00 177.57 178.16 1a0z h LYS 56 N 0.58 0.05 -0.19 1.57 1.57 -1.03 0.43 116.57 119.55 1a0z h LYS 56 Ca 0.07 -0.01 -0.00 0.00 -1.87 0.00 0.00 60.65 58.84 1a0z h LYS 56 Cb 0.79 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 33.08 1a0z h LYS 56 CO 0.06 0.18 0.10 0.78 -0.57 0.00 0.00 179.45 180.01 1a0z h GLY 57 N -0.10 0.28 1.00 3.86 0.00 0.79 -1.99 103.07 106.91 1a0z h GLY 57 Ca 0.01 -0.13 0.00 0.00 0.00 0.00 0.00 47.33 47.21 1a0z h GLY 57 CO -0.00 0.13 0.15 0.84 0.00 0.00 0.00 176.54 177.65 1a0z h HIS 58 N 0.19 0.29 -0.41 5.60 -0.00 -0.17 -1.18 115.15 119.47 1a0z h HIS 58 Ca 0.06 0.01 0.09 0.00 -0.00 0.00 0.00 60.37 60.53 1a0z h HIS 58 Cb 0.09 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1a0z h HIS 58 CO -0.03 0.19 0.28 0.78 -0.00 0.00 0.00 177.93 179.15 1a0z h GLY 59 N 0.30 0.22 1.05 5.26 0.00 0.06 -1.82 103.07 108.14 1a0z h GLY 59 Ca 0.08 -0.07 -0.17 0.00 0.00 0.00 0.00 47.33 47.18 1a0z h GLY 59 CO -0.02 0.05 -0.53 1.70 0.00 0.00 0.00 176.54 177.74 1a0z h LYS 60 N 0.17 0.74 -0.20 4.80 3.64 -0.45 -1.52 116.57 123.73 1a0z h LYS 60 Ca 0.19 -0.51 0.03 0.00 -1.27 0.00 0.00 60.65 59.10 1a0z h LYS 60 Cb 0.53 0.08 -0.03 0.00 -0.41 0.00 0.00 32.23 32.39 1a0z h LYS 60 CO -0.03 1.13 -0.01 0.87 -2.27 0.00 0.00 179.45 179.14 1a0z h LYS 61 N 0.46 0.05 -0.27 1.90 1.57 -0.95 0.20 116.57 119.53 1a0z h LYS 61 Ca -0.01 -0.00 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 1a0z h LYS 61 Cb 1.14 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 33.42 1a0z h LYS 61 CO 0.12 0.04 0.16 0.28 -0.57 0.00 0.00 179.45 179.47 1a0z h VAL 62 N 0.05 1.03 -0.59 0.50 2.07 -1.35 -1.22 116.25 116.75 1a0z h VAL 62 Ca 0.10 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.47 1a0z h VAL 62 Cb 0.12 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1a0z h VAL 62 CO -0.17 0.06 0.22 0.00 0.02 0.00 0.00 177.57 177.70 1a0z h ALA 63 N 1.12 1.29 -0.90 1.67 0.00 -0.80 -2.02 119.26 119.63 1a0z h ALA 63 Ca 0.11 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1a0z h ALA 63 Cb -0.00 -0.24 -0.04 0.00 0.00 0.00 0.00 17.79 17.51 1a0z h ALA 63 CO -0.05 0.52 0.57 -0.44 0.00 0.00 0.00 179.25 179.85 1a0z h ASP 64 N 0.84 1.05 -0.51 0.00 3.32 -0.56 0.15 116.42 120.72 1a0z h ASP 64 Ca 0.20 -0.05 -0.08 0.00 0.02 0.00 0.00 57.03 57.12 1a0z h ASP 64 Cb 0.18 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.45 1a0z h ASP 64 CO -0.02 0.79 -0.01 0.00 -1.72 0.00 0.00 179.24 178.28 1a0z h ALA 65 N 1.31 0.69 -0.37 3.45 0.00 -0.70 -1.91 119.26 121.73 1a0z h ALA 65 Ca 0.33 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 1a0z h ALA 65 Cb -0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 1a0z h ALA 65 CO -0.07 0.51 0.20 -0.07 0.00 0.00 0.00 179.25 179.82 1a0z h LEU 66 N 0.77 0.47 -0.33 0.00 3.38 -0.91 0.18 115.31 118.86 1a0z h LEU 66 Ca 0.14 -0.10 0.05 0.00 0.09 0.00 0.00 57.88 58.06 1a0z h LEU 66 Cb 0.54 -0.12 -0.04 0.00 0.09 0.00 0.00 40.66 41.13 1a0z h LEU 66 CO 0.03 0.43 0.06 0.74 0.09 0.00 0.00 178.44 179.79 1a0z h THR 67 N 0.47 0.83 -0.88 0.22 2.02 -0.52 0.42 112.91 115.48 1a0z h THR 67 Ca 0.13 -0.06 0.09 0.00 0.77 0.00 0.00 66.41 67.34 1a0z h THR 67 Cb 0.07 0.64 -0.07 0.00 -1.74 0.00 0.00 68.15 67.05 1a0z h THR 67 CO -0.02 0.03 0.53 -1.13 0.37 0.00 0.00 175.52 175.30 1a0z h ASN 68 N 0.18 0.79 0.06 4.18 -1.24 -1.10 -0.62 115.58 117.83 1a0z h ASN 68 Ca 0.16 0.04 -0.10 0.00 0.71 0.00 0.00 56.30 57.10 1a0z h ASN 68 Cb 0.17 -0.12 -0.01 0.00 0.73 0.00 0.00 38.32 39.09 1a0z h ASN 68 CO -0.21 0.46 -0.31 0.00 -1.29 0.00 0.00 177.43 176.09 1a0z h ALA 69 N 1.46 1.12 -0.25 1.57 0.00 0.57 -1.74 119.26 122.00 1a0z h ALA 69 Ca 0.41 -0.36 -0.19 0.00 0.00 0.00 0.00 54.91 54.77 1a0z h ALA 69 Cb 0.32 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1a0z h ALA 69 CO -0.23 0.56 -0.61 0.28 0.00 0.00 0.00 179.25 179.25 1a0z h VAL 70 N 0.32 1.28 -0.91 0.00 2.07 -0.18 -1.89 116.25 116.94 1a0z h VAL 70 Ca 0.04 -1.80 0.03 0.00 0.82 0.00 0.00 66.70 65.79 1a0z h VAL 70 Cb 0.71 1.73 -0.05 0.00 -1.52 0.00 0.00 31.29 32.16 1a0z h VAL 70 CO 0.05 0.58 0.60 0.00 0.02 0.00 0.00 177.57 178.82 1a0z h ALA 71 N 0.69 1.41 -0.82 1.67 0.00 -0.93 -2.97 119.26 118.31 1a0z h ALA 71 Ca -0.00 -0.05 -0.56 0.00 0.00 0.00 0.00 54.91 54.30 1a0z h ALA 71 Cb 1.22 -0.33 -0.33 0.00 0.00 0.00 0.00 17.79 18.35 1a0z h ALA 71 CO 0.13 0.50 0.03 0.72 0.00 0.00 0.00 179.25 180.63 1a0z n HIS 72 N -4.44 2.78 -0.02 0.00 8.25 -0.67 -4.81 115.22 116.31 1a0z n HIS 72 Ca 0.12 -2.49 0.24 0.00 -0.26 0.00 0.00 57.72 55.33 1a0z n HIS 72 Cb 0.09 -0.85 0.72 0.00 1.12 0.00 0.00 29.99 31.07 1a0z n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a0z h VAL 73 N 1.51 0.43 -0.00 1.59 3.04 -1.17 0.21 116.25 121.86 1a0z h VAL 73 Ca 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.15 1a0z h VAL 73 Cb 1.29 0.58 0.00 0.00 -2.01 0.00 0.00 31.29 31.15 1a0z h VAL 73 CO 1.09 0.00 -0.29 0.47 -1.01 0.00 0.00 177.57 177.82 1a0z n ASP 74 N -3.91 0.43 -2.90 3.17 8.00 -1.26 -4.25 116.55 115.83 1a0z n ASP 74 Ca 0.12 -0.18 -0.12 0.00 0.71 0.00 0.00 54.79 55.32 1a0z n ASP 74 Cb 0.79 0.01 0.04 0.00 -0.02 0.00 0.00 41.12 41.94 1a0z n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a0z n ASP 75 N -1.33 -0.71 -0.26 -2.24 2.03 0.71 -4.97 116.55 109.79 1a0z n ASP 75 Ca 0.08 -3.22 -0.01 0.00 0.52 0.00 0.00 54.79 52.16 1a0z n ASP 75 Cb 0.33 0.61 0.11 0.00 -0.72 0.00 0.00 41.12 41.45 1a0z n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a0z h MET 76 N 2.90 0.78 -0.57 -0.67 2.86 -1.64 -1.04 114.93 117.55 1a0z h MET 76 Ca -0.04 -0.05 0.11 0.00 -2.06 0.00 0.00 59.70 57.66 1a0z h MET 76 Cb 1.08 -0.18 -0.11 0.00 0.06 0.00 0.00 31.60 32.45 1a0z h MET 76 CO 0.29 0.52 -0.21 -1.35 1.06 0.00 0.00 176.91 177.22 1a0z h PRO 77 N 0.81 -0.07 0.13 -0.22 0.11 -1.93 0.56 132.00 131.39 1a0z h PRO 77 Ca 0.32 0.00 -0.25 0.00 0.11 0.00 0.00 66.00 66.19 1a0z h PRO 77 Cb 0.16 0.02 0.03 0.00 0.11 0.00 0.00 31.00 31.31 1a0z h PRO 77 CO -0.17 -0.05 -1.05 -0.91 -0.21 0.00 0.00 178.00 175.61 1a0z h ASN 78 N -0.07 0.69 -0.63 -2.05 2.35 -1.94 -1.95 115.58 111.98 1a0z h ASN 78 Ca 0.26 -0.87 0.10 0.00 -0.55 0.00 0.00 56.30 55.24 1a0z h ASN 78 Cb 0.48 -0.22 -0.04 0.00 0.05 0.00 0.00 38.32 38.59 1a0z h ASN 78 CO -0.62 1.50 0.42 0.00 -1.65 0.00 0.00 177.43 177.08 1a0z h ALA 79 N 0.20 2.01 -0.33 -0.83 0.00 -0.24 -2.55 119.26 117.52 1a0z h ALA 79 Ca -0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.73 1a0z h ALA 79 Cb 1.78 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.49 1a0z h ALA 79 CO 0.20 -0.15 0.00 1.28 0.00 0.00 0.00 179.25 180.58 1a0z n LEU 80 N -4.47 2.96 -0.30 0.00 4.77 0.19 -4.80 117.00 115.34 1a0z n LEU 80 Ca 0.10 -1.68 0.01 0.00 -0.03 0.00 0.00 56.01 54.41 1a0z n LEU 80 Cb 0.38 -0.22 0.07 0.00 -2.33 0.00 0.00 43.42 41.33 1a0z n LEU 80 CO 0.34 0.69 0.65 -1.28 -1.33 0.00 0.00 177.39 176.46 1a0z h SER 81 N 2.85 -1.02 0.34 -1.43 0.87 -0.90 0.33 113.55 114.59 1a0z h SER 81 Ca 0.00 0.26 -0.04 0.00 -1.23 0.00 0.00 61.79 60.78 1a0z h SER 81 Cb 0.76 0.59 -0.01 0.00 -0.44 0.00 0.00 62.40 63.31 1a0z h SER 81 CO 0.00 -0.29 -0.20 0.00 -0.53 0.00 0.00 176.83 175.81 1a0z h ALA 82 N 1.56 1.41 0.18 6.23 0.00 -1.87 -0.65 119.26 126.12 1a0z h ALA 82 Ca 0.36 -0.19 -0.30 0.00 0.00 0.00 0.00 54.91 54.78 1a0z h ALA 82 Cb 0.60 -0.03 0.02 0.00 0.00 0.00 0.00 17.79 18.38 1a0z h ALA 82 CO -0.86 0.26 -1.34 -0.07 0.00 0.00 0.00 179.25 177.23 1a0z h LEU 83 N 0.00 0.64 -1.15 0.00 3.38 -0.85 -2.39 115.31 114.94 1a0z h LEU 83 Ca -0.00 -0.67 -0.08 0.00 0.09 0.00 0.00 57.88 57.22 1a0z h LEU 83 Cb 0.43 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1a0z h LEU 83 CO 0.03 1.52 -0.36 0.77 0.09 0.00 0.00 178.44 180.49 1a0z h SER 84 N 0.12 0.00 0.10 -0.43 4.64 -0.09 -1.96 113.55 115.93 1a0z h SER 84 Ca -0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.13 1a0z h SER 84 Cb 2.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.14 1a0z h SER 84 CO 0.24 0.36 -0.05 0.44 -0.87 0.00 0.00 176.83 176.95 1a0z h ASP 85 N 0.00 -0.12 -0.90 4.97 3.32 -1.14 -1.80 116.42 120.75 1a0z h ASP 85 Ca -0.00 -0.26 0.05 0.00 0.02 0.00 0.00 57.03 56.84 1a0z h ASP 85 Cb 0.77 0.03 -0.06 0.00 0.22 0.00 0.00 39.33 40.29 1a0z h ASP 85 CO 0.05 0.21 0.57 0.25 -1.72 0.00 0.00 179.24 178.59 1a0z h LEU 86 N -0.45 0.91 -0.07 1.55 5.85 -1.28 0.22 115.31 122.05 1a0z h LEU 86 Ca -0.01 0.01 -0.03 0.00 0.84 0.00 0.00 57.88 58.68 1a0z h LEU 86 Cb 0.37 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.22 1a0z h LEU 86 CO 0.02 0.60 -0.07 0.45 -0.34 0.00 0.00 178.44 179.10 1a0z h HIS 87 N 1.06 0.21 -0.42 1.25 3.86 -1.36 0.16 115.15 119.90 1a0z h HIS 87 Ca 0.38 -0.06 -0.04 0.00 -1.16 0.00 0.00 60.37 59.48 1a0z h HIS 87 Cb 0.12 -0.04 -0.02 0.00 1.06 0.00 0.00 27.41 28.53 1a0z h HIS 87 CO -0.02 0.62 0.09 0.00 0.86 0.00 0.00 177.93 179.49 1a0z h ALA 88 N 0.55 0.56 0.00 2.45 0.00 -1.12 0.44 119.26 122.14 1a0z h ALA 88 Ca 0.01 -0.20 -0.27 0.00 0.00 0.00 0.00 54.91 54.45 1a0z h ALA 88 Cb 0.59 -0.16 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1a0z h ALA 88 CO 0.02 0.25 -2.27 0.72 0.00 0.00 0.00 179.25 177.97 1a0z n HIS 89 N -4.52 0.02 -0.00 0.00 8.25 0.76 -4.58 115.22 115.15 1a0z n HIS 89 Ca -0.00 0.01 -0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1a0z n HIS 89 Cb 0.22 -0.87 -0.00 0.00 1.12 0.00 0.00 29.99 30.46 1a0z n HIS 89 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 1a0z n LYS 90 N -2.62 0.01 -0.07 -0.41 4.76 -0.11 -4.82 118.16 114.90 1a0z n LYS 90 Ca -0.25 0.00 -0.08 0.00 -2.87 0.00 0.00 58.31 55.12 1a0z n LYS 90 Cb 1.00 -0.34 -0.01 0.00 -1.84 0.00 0.00 35.03 33.84 1a0z n LYS 90 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1a0z h LEU 91 N -0.02 0.11 -2.04 -0.35 3.38 -0.84 -3.47 115.31 112.08 1a0z h LEU 91 Ca 0.00 0.03 -0.41 0.00 0.09 0.00 0.00 57.88 57.59 1a0z h LEU 91 Cb 0.02 0.01 0.07 0.00 0.09 0.00 0.00 40.66 40.85 1a0z h LEU 91 CO 0.00 0.10 -0.85 0.54 0.09 0.00 0.00 178.44 178.32 1a0z n ARG 92 N -5.03 -4.10 -2.55 1.13 1.74 0.15 -4.95 116.66 103.06 1a0z n ARG 92 Ca -0.01 0.61 -0.42 0.00 -0.77 0.00 0.00 57.85 57.25 1a0z n ARG 92 Cb 0.09 -5.05 -0.03 0.00 -1.02 0.00 0.00 32.46 26.46 1a0z n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a0z s VAL 93 N -3.64 4.47 0.23 1.55 1.01 -1.26 -4.98 120.40 117.78 1a0z s VAL 93 Ca 0.10 1.77 -0.32 0.00 0.00 0.00 0.00 61.98 63.54 1a0z s VAL 93 Cb -0.03 -4.14 -0.13 0.00 0.00 0.00 0.00 36.38 32.09 1a0z s VAL 93 CO 0.82 0.01 1.60 -0.67 0.00 0.00 0.00 175.10 176.85 1a0z n ASP 94 N 5.07 3.54 -0.36 3.32 -0.08 -1.26 -4.86 116.55 121.92 1a0z n ASP 94 Ca 0.10 1.11 0.36 0.00 -1.51 0.00 0.00 54.79 54.85 1a0z n ASP 94 Cb 0.47 -1.52 0.75 0.00 2.34 0.00 0.00 41.12 43.16 1a0z n ASP 94 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 1a0z h PRO 95 N 5.52 0.02 -0.24 -0.67 0.11 -2.00 -1.88 132.00 132.86 1a0z h PRO 95 Ca -0.45 -0.00 0.03 0.00 0.11 0.00 0.00 66.00 65.69 1a0z h PRO 95 Cb 1.23 -0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.33 1a0z h PRO 95 CO 0.86 0.01 0.16 -0.39 -0.21 0.00 0.00 178.00 178.43 1a0z h VAL 96 N 0.02 0.98 -0.23 3.15 -1.51 -2.04 -2.76 116.25 113.86 1a0z h VAL 96 Ca 0.61 -0.06 -0.02 0.00 -1.23 0.00 0.00 66.70 66.00 1a0z h VAL 96 Cb 2.38 0.78 -0.01 0.00 -2.13 0.00 0.00 31.29 32.31 1a0z h VAL 96 CO -0.03 0.03 0.07 0.78 -1.23 0.00 0.00 177.57 177.19 1a0z h ASN 97 N 0.18 0.29 -0.79 4.19 2.35 -1.70 -2.34 115.58 117.76 1a0z h ASN 97 Ca 0.10 -0.03 0.09 0.00 -0.55 0.00 0.00 56.30 55.92 1a0z h ASN 97 Cb 0.19 -0.07 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 1a0z h ASN 97 CO -0.02 0.29 0.52 -0.26 -1.65 0.00 0.00 177.43 176.31 1a0z h PHE 98 N 0.32 0.79 -0.11 1.19 -1.00 -1.68 -1.58 116.94 114.88 1a0z h PHE 98 Ca 0.08 0.02 -0.12 0.00 2.81 0.00 0.00 57.97 60.76 1a0z h PHE 98 Cb 0.11 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.40 1a0z h PHE 98 CO 0.00 0.38 -0.47 1.57 -1.61 0.00 0.00 178.31 178.18 1a0z h LYS 99 N 0.75 0.27 -0.14 1.51 2.10 -1.56 -1.44 116.57 118.06 1a0z h LYS 99 Ca 0.36 -0.15 -0.02 0.00 -2.00 0.00 0.00 60.65 58.84 1a0z h LYS 99 Cb 0.41 0.01 -0.00 0.00 -0.90 0.00 0.00 32.23 31.74 1a0z h LYS 99 CO -0.14 0.69 -0.01 -0.07 -2.00 0.00 0.00 179.45 177.93 1a0z h LEU 100 N 0.22 0.24 -0.47 7.07 3.38 -1.35 -1.92 115.31 122.48 1a0z h LEU 100 Ca 0.01 -0.32 -0.07 0.00 0.09 0.00 0.00 57.88 57.59 1a0z h LEU 100 Cb 0.91 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.58 1a0z h LEU 100 CO 0.07 0.51 0.02 0.25 0.09 0.00 0.00 178.44 179.38 1a0z h LEU 101 N -0.02 0.80 -0.89 1.67 5.85 -1.36 -2.40 115.31 118.96 1a0z h LEU 101 Ca 0.04 -0.30 0.03 0.00 0.84 0.00 0.00 57.88 58.49 1a0z h LEU 101 Cb 0.38 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.15 1a0z h LEU 101 CO 0.01 0.90 0.58 0.28 -0.34 0.00 0.00 178.44 179.87 1a0z h SER 102 N 0.68 0.98 -0.34 1.25 0.02 -1.20 -0.91 113.55 114.03 1a0z h SER 102 Ca 0.14 -0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 61.06 1a0z h SER 102 Cb 0.48 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.78 1a0z h SER 102 CO 0.02 0.69 0.16 -0.74 -1.14 0.00 0.00 176.83 175.82 1a0z h HIS 103 N 1.15 0.49 0.00 3.45 -0.00 -1.14 -2.19 115.15 116.91 1a0z h HIS 103 Ca 0.35 -0.03 -0.04 0.00 -0.00 0.00 0.00 60.37 60.65 1a0z h HIS 103 Cb -0.04 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 1a0z h HIS 103 CO -0.01 0.43 -0.19 0.00 -0.00 0.00 0.00 177.93 178.16 1a0z h LEU 105 N 0.00 0.71 -0.76 0.00 3.38 -0.95 -2.32 115.31 115.37 1a0z h LEU 105 Ca -0.00 -0.67 -0.01 0.00 0.09 0.00 0.00 57.88 57.29 1a0z h LEU 105 Cb 0.50 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.00 1a0z h LEU 105 CO 0.02 1.27 0.44 -0.07 0.09 0.00 0.00 178.44 180.20 1a0z h LEU 106 N 0.21 0.93 -0.22 1.67 3.38 -0.94 -0.70 115.31 119.63 1a0z h LEU 106 Ca -0.05 -0.08 -0.00 0.00 0.09 0.00 0.00 57.88 57.84 1a0z h LEU 106 Cb 1.28 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.79 1a0z h LEU 106 CO 0.13 0.73 0.14 0.58 0.09 0.00 0.00 178.44 180.11 1a0z h VAL 107 N 1.04 1.08 -0.08 1.22 2.07 -1.10 0.62 116.25 121.11 1a0z h VAL 107 Ca 0.27 -0.18 0.03 0.00 0.82 0.00 0.00 66.70 67.63 1a0z h VAL 107 Cb -0.01 0.80 -0.03 0.00 -1.52 0.00 0.00 31.29 30.53 1a0z h VAL 107 CO -0.05 0.08 -0.08 0.74 0.02 0.00 0.00 177.57 178.28 1a0z h THR 108 N 0.28 0.77 -0.19 2.57 2.02 -1.10 -1.94 112.91 115.33 1a0z h THR 108 Ca 0.08 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1a0z h THR 108 Cb 0.00 0.77 -0.03 0.00 -1.74 0.00 0.00 68.15 67.16 1a0z h THR 108 CO -0.02 0.00 0.02 -0.07 0.37 0.00 0.00 175.52 175.82 1a0z h LEU 109 N -0.11 -0.03 -0.67 2.58 4.07 -0.94 -2.41 115.31 117.81 1a0z h LEU 109 Ca 0.06 0.03 0.01 0.00 0.08 0.00 0.00 57.88 58.06 1a0z h LEU 109 Cb 0.19 0.05 -0.03 0.00 1.08 0.00 0.00 40.66 41.95 1a0z h LEU 109 CO -0.14 0.01 0.44 0.00 -1.08 0.00 0.00 178.44 177.67 1a0z h ALA 110 N 1.15 0.85 0.00 1.53 0.00 -0.61 0.12 119.26 122.29 1a0z h ALA 110 Ca 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a0z h ALA 110 Cb 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.62 1a0z h ALA 110 CO -0.13 0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.38 1a0z n ALA 111 N -2.28 1.63 0.08 0.00 0.00 -0.75 -3.35 120.51 115.83 1a0z n ALA 111 Ca 0.06 0.08 0.01 0.00 0.00 0.00 0.00 53.44 53.59 1a0z n ALA 111 Cb 0.03 -1.37 -0.02 0.00 0.00 0.00 0.00 19.45 18.09 1a0z n ALA 111 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0z n HIS 112 N -2.17 0.00 -3.18 0.00 -0.00 -0.93 -4.85 115.22 104.09 1a0z n HIS 112 Ca 0.02 0.00 -0.22 0.00 -0.00 0.00 0.00 57.72 57.52 1a0z n HIS 112 Cb 0.21 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.99 30.13 1a0z n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a0z n LEU 113 N -1.25 1.54 -0.11 2.41 4.77 0.37 -4.96 117.00 119.77 1a0z n LEU 113 Ca 0.00 -5.07 -0.05 0.00 -0.03 0.00 0.00 56.01 50.87 1a0z n LEU 113 Cb 0.05 0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.50 1a0z n LEU 113 CO 0.05 2.20 0.84 -0.65 -1.33 0.00 0.00 177.39 178.51 1a0z h PRO 114 N 3.45 0.09 -0.49 3.23 0.11 -1.82 0.28 132.00 136.85 1a0z h PRO 114 Ca 0.11 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 66.15 1a0z h PRO 114 Cb 0.83 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.90 1a0z h PRO 114 CO 0.58 0.06 0.04 0.00 -0.21 0.00 0.00 178.00 178.47 1a0z h ALA 115 N 1.34 0.65 0.02 -0.75 0.00 -1.93 -3.28 119.26 115.31 1a0z h ALA 115 Ca 0.19 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.64 1a0z h ALA 115 Cb 0.27 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1a0z h ALA 115 CO -0.33 0.42 -0.94 0.93 0.00 0.00 0.00 179.25 179.33 1a0z h GLU 116 N 0.70 0.10 -3.60 0.00 3.07 -1.87 -3.41 114.58 109.56 1a0z h GLU 116 Ca 0.14 -0.13 -0.58 0.00 -0.50 0.00 0.00 59.36 58.30 1a0z h GLU 116 Cb 0.45 0.04 0.02 0.00 -0.84 0.00 0.00 28.75 28.42 1a0z h GLU 116 CO 0.02 0.96 3.04 0.34 -1.40 0.00 0.00 179.01 181.97 1a0z n PHE 117 N -3.53 2.20 -2.05 4.33 7.35 0.95 -4.79 117.46 121.92 1a0z n PHE 117 Ca -0.02 -2.47 -0.27 0.00 -0.76 0.00 0.00 57.45 53.92 1a0z n PHE 117 Cb 0.87 -2.10 0.08 0.00 0.35 0.00 0.00 39.48 38.68 1a0z n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a0z s THR 118 N 3.28 2.18 0.19 -2.13 -4.23 -1.26 -4.81 115.64 108.86 1a0z s THR 118 Ca 0.53 -0.12 -0.12 0.00 -1.18 0.00 0.00 61.69 60.81 1a0z s THR 118 Cb 0.14 -3.02 0.10 0.00 1.34 0.00 0.00 72.50 71.06 1a0z s THR 118 CO -0.03 -0.02 1.81 -0.65 -0.54 0.00 0.00 174.62 175.19 1a0z h PRO 119 N -0.83 0.61 -0.39 3.99 0.11 -1.99 0.11 132.00 133.61 1a0z h PRO 119 Ca -0.45 -0.04 -0.05 0.00 0.11 0.00 0.00 66.00 65.57 1a0z h PRO 119 Cb 1.32 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.28 1a0z h PRO 119 CO 0.63 0.40 0.01 0.00 -0.21 0.00 0.00 178.00 178.83 1a0z h ALA 120 N 1.29 1.29 0.06 -0.75 0.00 -1.96 -0.63 119.26 118.56 1a0z h ALA 120 Ca 0.25 -0.22 -0.28 0.00 0.00 0.00 0.00 54.91 54.66 1a0z h ALA 120 Cb 0.10 -0.17 0.03 0.00 0.00 0.00 0.00 17.79 17.75 1a0z h ALA 120 CO -0.14 0.48 -1.15 0.28 0.00 0.00 0.00 179.25 178.72 1a0z h VAL 121 N 0.59 1.28 -0.35 0.00 2.07 -1.63 -2.57 116.25 115.63 1a0z h VAL 121 Ca 0.12 -2.36 0.07 0.00 0.82 0.00 0.00 66.70 65.36 1a0z h VAL 121 Cb 0.35 2.55 -0.07 0.00 -1.52 0.00 0.00 31.29 32.60 1a0z h VAL 121 CO 0.01 0.72 -0.11 -0.74 0.02 0.00 0.00 177.57 177.47 1a0z h HIS 122 N 0.33 -0.25 -0.77 1.57 6.17 -0.55 0.05 115.15 121.70 1a0z h HIS 122 Ca -0.16 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 60.94 1a0z h HIS 122 Cb 1.82 0.16 -0.04 0.00 2.52 0.00 0.00 27.41 31.87 1a0z h HIS 122 CO 0.11 -0.18 0.45 0.00 0.71 0.00 0.00 177.93 179.02 1a0z h ALA 123 N 1.30 0.98 -0.51 5.26 0.00 -1.11 0.25 119.26 125.43 1a0z h ALA 123 Ca 0.17 -0.10 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1a0z h ALA 123 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 1a0z h ALA 123 CO -0.38 0.47 -0.00 0.77 0.00 0.00 0.00 179.25 180.11 1a0z h SER 124 N 1.06 0.88 -0.32 0.00 0.02 -0.95 -2.12 113.55 112.12 1a0z h SER 124 Ca 0.27 -0.31 -0.06 0.00 -0.84 0.00 0.00 61.79 60.86 1a0z h SER 124 Cb -0.01 -0.24 -0.01 0.00 0.14 0.00 0.00 62.40 62.28 1a0z h SER 124 CO -0.05 0.97 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.50 1a0z h LEU 125 N 0.76 0.59 -0.27 5.07 3.38 -0.77 0.92 115.31 124.99 1a0z h LEU 125 Ca 0.14 -0.34 0.03 0.00 0.09 0.00 0.00 57.88 57.81 1a0z h LEU 125 Cb 0.52 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 41.08 1a0z h LEU 125 CO 0.03 0.79 0.06 -0.78 0.09 0.00 0.00 178.44 178.63 1a0z h ASP 126 N 0.38 0.04 -0.84 -0.43 3.58 -0.83 -0.64 116.42 117.68 1a0z h ASP 126 Ca 0.08 0.04 -0.03 0.00 0.42 0.00 0.00 57.03 57.55 1a0z h ASP 126 Cb 0.52 0.04 -0.04 0.00 1.72 0.00 0.00 39.33 41.57 1a0z h ASP 126 CO 0.02 0.06 0.42 0.11 -2.88 0.00 0.00 179.24 176.97 1a0z h LYS 127 N 0.17 1.20 -0.31 0.28 1.57 -1.19 -1.87 116.57 116.42 1a0z h LYS 127 Ca 0.12 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.71 1a0z h LYS 127 Cb 0.11 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.19 1a0z h LYS 127 CO -0.15 0.91 0.09 0.35 -0.57 0.00 0.00 179.45 180.08 1a0z h PHE 128 N 1.19 0.51 -0.31 -1.35 3.57 -0.33 -1.54 116.94 118.68 1a0z h PHE 128 Ca 0.29 -0.05 -0.07 0.00 3.53 0.00 0.00 57.97 61.66 1a0z h PHE 128 Cb 0.10 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1a0z h PHE 128 CO 0.01 0.53 -0.12 -0.07 -2.23 0.00 0.00 178.31 176.42 1a0z h LEU 129 N 0.34 0.52 -1.00 0.59 3.38 -1.06 0.29 115.31 118.38 1a0z h LEU 129 Ca 0.10 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 1a0z h LEU 129 Cb 0.26 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 1a0z h LEU 129 CO -0.00 0.68 0.11 0.00 0.09 0.00 0.00 178.44 179.32 1a0z h ALA 130 N 1.38 1.18 -0.14 1.53 0.00 -1.11 -0.33 119.26 121.77 1a0z h ALA 130 Ca 0.09 -0.22 -0.15 0.00 0.00 0.00 0.00 54.91 54.63 1a0z h ALA 130 Cb 0.51 -0.22 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1a0z h ALA 130 CO 0.03 0.55 -0.52 0.77 0.00 0.00 0.00 179.25 180.09 1a0z h SER 131 N 0.80 0.70 -0.73 0.00 0.02 -0.69 -0.99 113.55 112.67 1a0z h SER 131 Ca 0.17 -0.61 0.00 0.00 -0.84 0.00 0.00 61.79 60.51 1a0z h SER 131 Cb 0.32 -0.20 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1a0z h SER 131 CO 0.00 1.19 0.46 0.58 -1.14 0.00 0.00 176.83 177.92 1a0z h VAL 132 N 0.25 1.20 -0.71 2.27 2.07 -0.73 -1.30 116.25 119.29 1a0z h VAL 132 Ca -0.02 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.13 1a0z h VAL 132 Cb 1.14 0.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.03 1a0z h VAL 132 CO 0.11 0.20 0.44 0.28 0.02 0.00 0.00 177.57 178.62 1a0z h SER 133 N 0.99 0.73 -0.74 0.57 0.02 -0.87 -1.39 113.55 112.85 1a0z h SER 133 Ca 0.26 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 61.15 1a0z h SER 133 Cb -0.07 -0.16 -0.03 0.00 0.14 0.00 0.00 62.40 62.28 1a0z h SER 133 CO -0.05 0.50 0.24 0.74 -1.14 0.00 0.00 176.83 177.12 1a0z h THR 134 N 0.87 1.26 -0.44 -2.27 2.02 -0.73 -2.19 112.91 111.43 1a0z h THR 134 Ca 0.29 -0.91 -0.03 0.00 0.77 0.00 0.00 66.41 66.53 1a0z h THR 134 Cb 0.03 0.43 -0.02 0.00 -1.74 0.00 0.00 68.15 66.85 1a0z h THR 134 CO -0.11 0.36 0.15 0.58 0.37 0.00 0.00 175.52 176.87 1a0z h VAL 135 N 1.11 1.22 0.00 3.16 2.07 -0.76 -0.98 116.25 122.07 1a0z h VAL 135 Ca 0.24 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 67.04 1a0z h VAL 135 Cb 0.30 0.84 -0.00 0.00 -1.52 0.00 0.00 31.29 30.91 1a0z h VAL 135 CO -0.01 0.25 -0.13 -0.07 0.02 0.00 0.00 177.57 177.63 1a0z h LEU 136 N 0.57 0.00 -2.83 2.57 3.38 -1.08 -2.65 115.31 115.27 1a0z h LEU 136 Ca 0.14 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.11 1a0z h LEU 136 Cb 0.24 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1a0z h LEU 136 CO -0.01 0.13 0.00 0.35 0.09 0.00 0.00 178.44 179.01 1a0z n THR 137 N -3.54 0.95 0.28 0.22 -2.24 -0.84 -4.43 114.28 104.69 1a0z n THR 137 Ca -0.01 -0.98 0.14 0.00 -2.27 0.00 0.00 64.05 60.93 1a0z n THR 137 Cb 0.28 0.53 0.84 0.00 -2.10 0.00 0.00 70.33 69.88 1a0z n THR 137 CO 0.00 0.00 0.00 0.77 -0.57 0.00 0.00 175.07 175.27 1a0z h SER 138 N 1.75 0.00 -0.37 3.42 4.64 -0.80 -2.93 113.55 119.27 1a0z h SER 138 Ca 0.00 0.00 -0.05 0.00 -0.47 0.00 0.00 61.79 61.27 1a0z h SER 138 Cb 0.69 0.00 -0.03 0.00 -0.31 0.00 0.00 62.40 62.75 1a0z h SER 138 CO 0.00 0.06 0.03 0.29 -0.87 0.00 0.00 176.83 176.33 1a0z n LYS 139 N -3.70 3.11 -0.04 4.77 5.02 -1.26 -4.68 118.16 121.38 1a0z n LYS 139 Ca -0.02 -2.95 -0.01 0.00 -2.02 0.00 0.00 58.31 53.30 1a0z n LYS 139 Cb 0.16 -1.94 0.25 0.00 -0.02 0.00 0.00 35.03 33.48 1a0z n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a0z h TYR 140 N 2.05 0.65 0.00 2.13 -1.99 -1.84 -3.45 116.97 114.52 1a0z h TYR 140 Ca 0.06 -0.07 0.00 0.00 2.00 0.00 0.00 58.73 60.72 1a0z h TYR 140 Cb 1.64 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 40.19 1a0z h TYR 140 CO 0.73 0.61 0.00 2.89 -0.00 0.00 0.00 178.16 182.39