#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 4.07 0.85 7.52 1.43 -1.26 -5.03 118.68 126.26 1a0z s LEU 2 Ca 0.00 0.96 -0.12 0.00 -1.03 0.00 0.00 54.13 53.93 1a0z s LEU 2 Cb 0.00 -3.19 0.13 0.00 0.03 0.00 0.00 46.19 43.16 1a0z s LEU 2 CO 0.00 -0.56 1.20 -0.94 0.23 0.00 0.00 176.35 176.28 1a0z s SER 3 N 1.42 3.99 0.26 2.29 1.04 -1.26 -4.85 113.70 116.60 1a0z s SER 3 Ca 0.35 0.48 -0.04 0.00 0.48 0.00 0.00 55.95 57.22 1a0z s SER 3 Cb -0.15 -0.80 0.34 0.00 0.10 0.00 0.00 66.02 65.51 1a0z s SER 3 CO 0.09 -2.19 1.92 -0.65 0.98 0.00 0.00 173.24 173.39 1a0z h PRO 4 N -1.20 1.23 -0.48 4.02 0.11 -1.99 -0.63 132.00 133.06 1a0z h PRO 4 Ca -0.45 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 65.48 1a0z h PRO 4 Cb 1.29 -0.28 -0.02 0.00 0.11 0.00 0.00 31.00 32.10 1a0z h PRO 4 CO 0.53 0.81 -0.14 0.00 -0.21 0.00 0.00 178.00 179.00 1a0z h ALA 5 N 1.42 0.86 -0.55 -0.75 0.00 -2.00 -2.11 119.26 116.12 1a0z h ALA 5 Ca 0.39 -0.35 0.00 0.00 0.00 0.00 0.00 54.91 54.95 1a0z h ALA 5 Cb -0.03 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1a0z h ALA 5 CO -0.11 0.64 0.35 -0.44 0.00 0.00 0.00 179.25 179.70 1a0z h ASP 6 N 0.80 0.65 -0.56 0.00 3.32 -1.54 -1.89 116.42 117.21 1a0z h ASP 6 Ca 0.12 -0.03 -0.05 0.00 0.02 0.00 0.00 57.03 57.09 1a0z h ASP 6 Cb 0.67 -0.16 -0.03 0.00 0.22 0.00 0.00 39.33 40.03 1a0z h ASP 6 CO 0.05 0.49 0.19 0.11 -1.72 0.00 0.00 179.24 178.36 1a0z h LYS 7 N 0.75 0.90 -0.36 3.56 1.57 -0.91 -1.22 116.57 120.86 1a0z h LYS 7 Ca 0.20 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.74 1a0z h LYS 7 Cb -0.06 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.10 1a0z h LYS 7 CO -0.04 0.78 -0.05 1.15 -0.57 0.00 0.00 179.45 180.71 1a0z h THR 8 N 0.88 1.27 -0.45 -0.16 2.02 -1.23 -2.35 112.91 112.88 1a0z h THR 8 Ca 0.20 -1.09 0.01 0.00 0.77 0.00 0.00 66.41 66.30 1a0z h THR 8 Cb 0.25 1.25 -0.03 0.00 -1.74 0.00 0.00 68.15 67.88 1a0z h THR 8 CO -0.01 0.36 0.28 0.78 0.37 0.00 0.00 175.52 177.30 1a0z h ASN 9 N 0.47 0.46 0.04 4.18 2.35 -0.94 -1.50 115.58 120.65 1a0z h ASN 9 Ca 0.10 -0.00 -0.00 0.00 -0.55 0.00 0.00 56.30 55.84 1a0z h ASN 9 Cb 0.55 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.82 1a0z h ASN 9 CO 0.03 0.33 -0.02 0.58 -1.65 0.00 0.00 177.43 176.70 1a0z h VAL 10 N 0.56 1.13 -0.69 2.81 2.07 -1.21 -1.21 116.25 119.70 1a0z h VAL 10 Ca 0.17 -0.55 0.04 0.00 0.82 0.00 0.00 66.70 67.18 1a0z h VAL 10 Cb -0.01 1.49 -0.05 0.00 -1.52 0.00 0.00 31.29 31.20 1a0z h VAL 10 CO -0.07 0.14 0.42 0.11 0.02 0.00 0.00 177.57 178.19 1a0z h LYS 11 N -0.30 0.79 0.74 1.57 1.57 -1.35 0.36 116.57 119.94 1a0z h LYS 11 Ca -0.01 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.69 1a0z h LYS 11 Cb 0.27 -0.18 0.00 0.00 0.08 0.00 0.00 32.23 32.41 1a0z h LYS 11 CO 0.01 0.52 -0.41 0.00 -0.57 0.00 0.00 179.45 179.00 1a0z h ALA 12 N 1.31 -1.08 -0.07 3.86 0.00 -1.28 0.59 119.26 122.59 1a0z h ALA 12 Ca 0.28 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 55.01 1a0z h ALA 12 Cb 0.06 0.48 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1a0z h ALA 12 CO -0.12 -1.12 -0.19 0.00 0.00 0.00 0.00 179.25 177.82 1a0z h ALA 13 N -0.85 -0.18 0.00 0.00 0.00 -0.96 -1.45 119.26 115.81 1a0z h ALA 13 Ca -0.10 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 1a0z h ALA 13 Cb 0.84 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.98 1a0z h ALA 13 CO 0.13 -0.67 -0.30 2.35 0.00 0.00 0.00 179.25 180.76 1a0z h TRP 14 N -0.27 0.00 -0.83 0.00 2.91 -0.23 -2.28 115.95 115.25 1a0z h TRP 14 Ca 0.08 0.00 -0.03 0.00 1.13 0.00 0.00 58.89 60.07 1a0z h TRP 14 Cb 0.39 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 29.00 1a0z h TRP 14 CO -0.27 0.30 0.41 0.78 -1.03 0.00 0.00 178.44 178.62 1a0z h GLY 15 N 1.17 1.28 1.87 2.65 0.00 0.99 -2.18 103.07 108.85 1a0z h GLY 15 Ca -0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 47.33 46.61 1a0z h GLY 15 CO 0.04 0.60 -0.36 1.70 0.00 0.00 0.00 176.54 178.52 1a0z h LYS 16 N 1.18 0.15 -0.77 4.80 3.11 -0.73 -2.67 116.57 121.64 1a0z h LYS 16 Ca 0.29 -0.06 -0.03 0.00 -2.81 0.00 0.00 60.65 58.03 1a0z h LYS 16 Cb 0.11 -0.01 -0.03 0.00 -1.00 0.00 0.00 32.23 31.30 1a0z h LYS 16 CO -0.04 0.50 0.35 0.28 -2.81 0.00 0.00 179.45 177.73 1a0z h VAL 17 N 0.13 1.25 0.00 2.00 2.07 -1.05 -3.45 116.25 117.20 1a0z h VAL 17 Ca 0.01 -0.72 0.00 0.00 0.82 0.00 0.00 66.70 66.82 1a0z h VAL 17 Cb 0.70 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.77 1a0z h VAL 17 CO 0.05 0.30 0.00 0.61 0.02 0.00 0.00 177.57 178.55 1a0z n GLY 18 N -0.95 2.18 0.21 2.17 0.00 -1.01 -0.69 105.19 107.10 1a0z n GLY 18 Ca 0.07 0.35 0.15 0.00 0.00 0.00 0.00 46.02 46.59 1a0z n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0z h ALA 19 N -0.06 1.00 -0.01 4.61 0.00 -1.88 -3.11 119.26 119.81 1a0z h ALA 19 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 1a0z h ALA 19 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 1a0z h ALA 19 CO 0.00 0.00 -0.02 0.72 0.00 0.00 0.00 179.25 179.95 1a0z n HIS 20 N -2.62 0.00 -0.26 0.00 -0.00 0.13 -4.54 115.22 107.93 1a0z n HIS 20 Ca -0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 57.72 57.71 1a0z n HIS 20 Cb 0.17 -0.01 0.06 0.00 -0.00 0.00 0.00 29.99 30.21 1a0z n HIS 20 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1a0z h ALA 21 N 4.21 0.29 -0.48 -1.41 0.00 -1.64 0.82 119.26 121.05 1a0z h ALA 21 Ca 0.00 0.26 -0.04 0.00 0.00 0.00 0.00 54.91 55.13 1a0z h ALA 21 Cb 0.38 0.71 -0.02 0.00 0.00 0.00 0.00 17.79 18.86 1a0z h ALA 21 CO 0.00 -0.52 0.13 0.78 0.00 0.00 0.00 179.25 179.64 1a0z h GLY 22 N -0.05 0.77 1.26 0.00 0.00 -1.84 0.96 103.07 104.16 1a0z h GLY 22 Ca 0.33 -0.41 -0.16 0.00 0.00 0.00 0.00 47.33 47.08 1a0z h GLY 22 CO -0.79 0.39 -0.47 -2.09 0.00 0.00 0.00 176.54 173.58 1a0z h GLU 23 N 0.70 0.79 -0.33 4.80 4.81 -1.36 -1.95 114.58 122.03 1a0z h GLU 23 Ca 0.16 -0.46 -0.15 0.00 -0.13 0.00 0.00 59.36 58.79 1a0z h GLU 23 Cb 0.23 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 29.64 1a0z h GLU 23 CO -0.01 1.09 -0.38 1.88 -0.73 0.00 0.00 179.01 180.86 1a0z h TYR 24 N 0.63 0.95 -0.72 0.92 -1.99 -0.46 -2.17 116.97 114.12 1a0z h TYR 24 Ca 0.03 -0.28 -0.03 0.00 2.00 0.00 0.00 58.73 60.46 1a0z h TYR 24 Cb 1.05 -0.20 -0.03 0.00 2.00 0.00 0.00 36.73 39.54 1a0z h TYR 24 CO 0.06 1.05 0.35 0.78 -0.00 0.00 0.00 178.16 180.40 1a0z h GLY 25 N 0.90 1.12 0.99 3.88 0.00 -0.69 0.44 103.07 109.70 1a0z h GLY 25 Ca 0.06 -0.56 -0.03 0.00 0.00 0.00 0.00 47.33 46.80 1a0z h GLY 25 CO 0.09 0.53 0.27 0.00 0.00 0.00 0.00 176.54 177.42 1a0z h ALA 26 N 1.17 0.79 -0.42 3.60 0.00 -1.21 -2.26 119.26 120.92 1a0z h ALA 26 Ca 0.25 -0.15 -0.04 0.00 0.00 0.00 0.00 54.91 54.97 1a0z h ALA 26 Cb 0.12 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1a0z h ALA 26 CO -0.03 0.37 0.12 1.49 0.00 0.00 0.00 179.25 181.20 1a0z h GLU 27 N 0.84 0.66 -0.72 0.00 4.81 -1.03 -1.48 114.58 117.67 1a0z h GLU 27 Ca 0.21 -0.15 0.04 0.00 -0.13 0.00 0.00 59.36 59.32 1a0z h GLU 27 Cb 0.16 -0.09 -0.05 0.00 0.63 0.00 0.00 28.75 29.40 1a0z h GLU 27 CO -0.02 0.66 0.44 0.00 -0.73 0.00 0.00 179.01 179.36 1a0z h ALA 28 N 0.97 0.95 -0.23 2.92 0.00 -0.84 0.36 119.26 123.38 1a0z h ALA 28 Ca 0.13 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1a0z h ALA 28 Cb 0.29 -0.20 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1a0z h ALA 28 CO -0.00 0.19 0.13 -0.07 0.00 0.00 0.00 179.25 179.50 1a0z h LEU 29 N 0.84 0.29 -0.91 0.00 3.38 -1.01 -0.98 115.31 116.92 1a0z h LEU 29 Ca 0.30 -0.08 -0.01 0.00 0.09 0.00 0.00 57.88 58.18 1a0z h LEU 29 Cb 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.71 1a0z h LEU 29 CO -0.13 0.28 0.52 -0.08 0.09 0.00 0.00 178.44 179.12 1a0z h GLU 30 N 0.27 1.25 -0.80 1.13 4.81 -1.03 0.15 114.58 120.36 1a0z h GLU 30 Ca 0.08 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1a0z h GLU 30 Cb 0.06 -0.25 -0.04 0.00 0.63 0.00 0.00 28.75 29.15 1a0z h GLU 30 CO -0.01 0.90 0.39 0.00 -0.73 0.00 0.00 179.01 179.55 1a0z h ARG 31 N 1.26 1.14 -0.10 1.92 3.08 -0.61 -2.48 114.38 118.60 1a0z h ARG 31 Ca 0.32 -0.16 -0.02 0.00 0.07 0.00 0.00 59.98 60.20 1a0z h ARG 31 Cb -0.01 -0.21 -0.00 0.00 0.08 0.00 0.00 29.97 29.83 1a0z h ARG 31 CO -0.06 0.88 -0.00 1.98 -1.07 0.00 0.00 179.97 181.70 1a0z h MET 32 N 1.14 0.18 -0.65 0.04 4.05 -0.01 -1.64 114.93 118.04 1a0z h MET 32 Ca 0.28 -0.06 0.03 0.00 -0.28 0.00 0.00 59.70 59.66 1a0z h MET 32 Cb 0.10 -0.02 -0.04 0.00 -0.80 0.00 0.00 31.60 30.85 1a0z h MET 32 CO -0.04 0.43 0.43 0.74 0.23 0.00 0.00 176.91 178.71 1a0z h PHE 33 N -0.10 0.77 0.03 1.39 0.04 -0.65 0.76 116.94 119.19 1a0z h PHE 33 Ca 0.03 0.02 -0.13 0.00 2.80 0.00 0.00 57.97 60.69 1a0z h PHE 33 Cb 0.35 -0.26 0.01 0.00 2.20 0.00 0.00 35.95 38.26 1a0z h PHE 33 CO 0.03 0.46 -0.53 -0.07 -0.60 0.00 0.00 178.31 177.60 1a0z h LEU 34 N 0.80 0.42 0.11 1.54 3.38 -1.39 -3.27 115.31 116.91 1a0z h LEU 34 Ca 0.25 -0.82 -0.27 0.00 0.09 0.00 0.00 57.88 57.14 1a0z h LEU 34 Cb 0.02 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.65 1a0z h LEU 34 CO -0.07 1.19 -1.23 0.28 0.09 0.00 0.00 178.44 178.70 1a0z h SER 35 N -0.30 0.41 -2.65 -0.43 0.02 -1.21 -3.40 113.55 106.00 1a0z h SER 35 Ca -0.08 -0.44 -0.60 0.00 -0.84 0.00 0.00 61.79 59.83 1a0z h SER 35 Cb 1.30 -0.13 -0.41 0.00 0.14 0.00 0.00 62.40 63.30 1a0z h SER 35 CO 0.10 1.34 -0.74 0.49 -1.14 0.00 0.00 176.83 176.88 1a0z n PHE 36 N -3.53 1.77 0.26 3.45 3.72 0.25 -4.99 117.46 118.39 1a0z n PHE 36 Ca -0.08 -3.93 0.18 0.00 -0.05 0.00 0.00 57.45 53.57 1a0z n PHE 36 Cb 1.02 -0.33 0.89 0.00 -0.94 0.00 0.00 39.48 40.12 1a0z n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a0z h PRO 37 N 5.16 0.00 0.00 -1.08 0.11 -1.73 -1.17 132.00 133.29 1a0z h PRO 37 Ca 0.19 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.26 1a0z h PRO 37 Cb 0.80 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.90 1a0z h PRO 37 CO 0.61 0.00 -0.18 1.79 -0.21 0.00 0.00 178.00 180.01 1a0z h THR 38 N 0.00 0.73 0.00 -1.15 1.35 -1.91 -1.76 112.91 110.17 1a0z h THR 38 Ca 0.05 -0.73 0.00 0.00 -0.55 0.00 0.00 66.41 65.19 1a0z h THR 38 Cb 0.52 1.44 0.00 0.00 -1.73 0.00 0.00 68.15 68.39 1a0z h THR 38 CO -0.00 0.17 0.00 0.71 -0.25 0.00 0.00 175.52 176.15 1a0z h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.54 -2.23 112.91 117.31 1a0z h THR 39 Ca -0.00 -0.18 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1a0z h THR 39 Cb 0.43 1.11 0.00 0.00 -1.73 0.00 0.00 68.15 67.96 1a0z h THR 39 CO 0.02 0.00 0.00 0.11 -0.25 0.00 0.00 175.52 175.40 1a0z h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.49 -3.02 116.57 118.35 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 0.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.49 1a0z h LYS 40 CO 0.00 0.00 0.00 1.79 -0.57 0.00 0.00 179.45 180.67 1a0z h THR 41 N 0.00 0.00 0.00 -0.16 1.35 -1.58 -0.99 112.91 111.53 1a0z h THR 41 Ca 0.00 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.81 1a0z h THR 41 Cb 0.44 1.01 0.00 0.00 -1.73 0.00 0.00 68.15 67.86 1a0z h THR 41 CO 0.00 0.00 -0.43 -1.22 -0.25 0.00 0.00 175.52 173.62 1a0z n TYR 42 N -3.01 0.17 -2.65 4.73 4.01 -1.14 -4.36 117.16 114.91 1a0z n TYR 42 Ca -0.02 0.05 -0.23 0.00 -0.16 0.00 0.00 57.90 57.54 1a0z n TYR 42 Cb 0.09 -0.42 -0.00 0.00 -0.31 0.00 0.00 39.34 38.70 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 -1.68 2.84 0.28 -0.72 3.01 -0.38 -4.84 117.46 115.97 1a0z n PHE 43 Ca 0.05 -3.27 0.16 0.00 1.01 0.00 0.00 57.45 55.41 1a0z n PHE 43 Cb 0.37 -0.24 0.74 0.00 -0.01 0.00 0.00 39.48 40.33 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 2.77 0.00 -0.02 -1.08 0.13 -1.76 -2.81 132.00 129.23 1a0z h PRO 44 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1a0z h PRO 44 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1a0z h PRO 44 CO 0.75 0.05 0.00 -2.39 -0.23 0.00 0.00 178.00 176.18 1a0z n HIS 45 N -3.21 0.01 -4.00 1.56 1.44 -1.26 -4.93 115.22 104.83 1a0z n HIS 45 Ca -0.00 -0.01 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 1a0z n HIS 45 Cb 0.28 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.34 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 -1.99 3.31 -0.34 -1.40 0.40 -1.06 -5.08 117.98 111.82 1a0z s PHE 46 Ca 0.36 0.12 -0.21 0.00 -0.60 0.00 0.00 56.93 56.61 1a0z s PHE 46 Cb 0.21 -1.65 0.00 0.00 0.51 0.00 0.00 43.02 42.08 1a0z s PHE 46 CO 0.33 0.54 0.64 0.34 0.70 0.00 0.00 175.22 177.77 1a0z s ASP 47 N -2.58 6.45 0.00 1.36 2.15 -1.26 -4.92 116.67 117.87 1a0z s ASP 47 Ca 0.32 0.23 0.21 0.00 0.43 0.00 0.00 52.55 53.74 1a0z s ASP 47 Cb -0.12 -2.33 0.54 0.00 -0.30 0.00 0.00 42.92 40.70 1a0z s ASP 47 CO 0.25 -0.57 1.46 0.18 -0.17 0.00 0.00 175.17 176.31 1a0z n LEU 48 N 6.03 3.25 -4.74 -1.34 4.77 -1.26 -4.50 117.00 119.20 1a0z n LEU 48 Ca -0.01 -1.53 -0.36 0.00 -0.03 0.00 0.00 56.01 54.08 1a0z n LEU 48 Cb 0.49 -0.33 0.05 0.00 -2.33 0.00 0.00 43.42 41.29 1a0z n LEU 48 CO 0.48 0.76 0.87 -0.94 -1.33 0.00 0.00 177.39 177.23 1a0z s SER 49 N -1.23 4.95 0.05 -1.43 1.04 -1.26 -4.85 113.70 110.96 1a0z s SER 49 Ca 0.40 2.48 -0.36 0.00 0.48 0.00 0.00 55.95 58.96 1a0z s SER 49 Cb 0.22 -2.61 -0.15 0.00 0.10 0.00 0.00 66.02 63.58 1a0z s SER 49 CO 0.30 -1.76 1.50 1.57 0.98 0.00 0.00 173.24 175.82 1a0z n HIS 50 N -1.72 1.85 -0.97 5.02 -0.00 -1.26 -1.06 115.22 117.07 1a0z n HIS 50 Ca 0.15 0.48 0.00 0.00 0.46 0.00 0.00 57.72 58.80 1a0z n HIS 50 Cb 0.49 -2.43 0.00 0.00 -0.12 0.00 0.00 29.99 27.93 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 3.12 0.78 3.52 1.57 0.00 -1.26 -5.00 105.19 107.92 1a0z n GLY 51 Ca 0.19 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.78 1a0z n GLY 51 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1a0z n SER 52 N -0.02 0.16 -0.06 1.61 2.88 -0.23 -4.83 113.62 113.13 1a0z n SER 52 Ca 0.00 1.03 -0.04 0.00 -1.33 0.00 0.00 58.87 58.52 1a0z n SER 52 Cb 0.01 -1.20 0.17 0.00 -0.75 0.00 0.00 64.21 62.44 1a0z n SER 52 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a0z h ALA 53 N 1.29 1.07 -0.73 -1.46 0.00 -1.89 -2.13 119.26 115.42 1a0z h ALA 53 Ca -0.40 -0.31 -0.07 0.00 0.00 0.00 0.00 54.91 54.14 1a0z h ALA 53 Cb 1.37 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1a0z h ALA 53 CO 0.56 0.57 0.20 1.96 0.00 0.00 0.00 179.25 182.53 1a0z h GLN 54 N 0.61 1.15 -0.18 0.00 4.20 -1.91 -1.52 115.11 117.47 1a0z h GLN 54 Ca 0.11 -0.27 -0.02 0.00 0.06 0.00 0.00 58.65 58.53 1a0z h GLN 54 Cb 0.57 -0.16 -0.01 0.00 0.30 0.00 0.00 27.48 28.19 1a0z h GLN 54 CO 0.04 1.00 0.04 0.28 -0.67 0.00 0.00 178.83 179.51 1a0z h VAL 55 N 1.10 1.21 -0.21 -0.54 2.07 -1.73 0.92 116.25 119.08 1a0z h VAL 55 Ca 0.23 -0.68 0.02 0.00 0.82 0.00 0.00 66.70 67.09 1a0z h VAL 55 Cb 0.35 1.33 -0.02 0.00 -1.52 0.00 0.00 31.29 31.43 1a0z h VAL 55 CO -0.00 0.21 0.06 0.11 0.02 0.00 0.00 177.57 177.97 1a0z h LYS 56 N 0.09 0.14 0.11 1.57 1.57 -1.35 0.45 116.57 119.15 1a0z h LYS 56 Ca 0.05 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1a0z h LYS 56 Cb 0.29 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.55 1a0z h LYS 56 CO 0.00 0.10 -0.11 0.78 -0.57 0.00 0.00 179.45 179.65 1a0z h GLY 57 N 0.15 -0.22 1.01 3.86 0.00 -1.14 -1.05 103.07 105.67 1a0z h GLY 57 Ca 0.09 0.12 0.01 0.00 0.00 0.00 0.00 47.33 47.55 1a0z h GLY 57 CO -0.11 -0.11 0.51 0.84 0.00 0.00 0.00 176.54 177.67 1a0z h HIS 58 N -0.24 0.97 -1.00 5.60 -0.00 -0.59 -1.95 115.15 117.93 1a0z h HIS 58 Ca 0.01 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.43 1a0z h HIS 58 Cb 0.23 -0.33 -0.06 0.00 -0.00 0.00 0.00 27.41 27.26 1a0z h HIS 58 CO -0.12 0.61 0.66 0.78 -0.00 0.00 0.00 177.93 179.86 1a0z h GLY 59 N 1.04 1.46 0.99 5.26 0.00 0.22 -0.68 103.07 111.35 1a0z h GLY 59 Ca 0.28 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.10 1a0z h GLY 59 CO -0.06 0.43 0.29 1.70 0.00 0.00 0.00 176.54 178.90 1a0z h LYS 60 N 1.27 0.78 -0.30 4.80 3.11 -0.57 -1.59 116.57 124.08 1a0z h LYS 60 Ca 0.40 -0.10 0.00 0.00 -2.81 0.00 0.00 60.65 58.14 1a0z h LYS 60 Cb -0.01 -0.15 -0.01 0.00 -1.00 0.00 0.00 32.23 31.06 1a0z h LYS 60 CO -0.12 0.62 0.19 0.87 -2.81 0.00 0.00 179.45 178.20 1a0z h LYS 61 N 0.75 0.40 -0.57 1.90 1.79 -0.50 -0.43 116.57 119.90 1a0z h LYS 61 Ca 0.19 -0.03 -0.00 0.00 -2.18 0.00 0.00 60.65 58.63 1a0z h LYS 61 Cb 0.07 -0.09 -0.03 0.00 -1.58 0.00 0.00 32.23 30.61 1a0z h LYS 61 CO -0.03 0.28 0.35 0.28 -1.08 0.00 0.00 179.45 179.26 1a0z h VAL 62 N 0.39 1.17 -0.30 0.50 2.07 -1.11 -2.11 116.25 116.86 1a0z h VAL 62 Ca 0.11 -0.36 -0.00 0.00 0.82 0.00 0.00 66.70 67.27 1a0z h VAL 62 Cb -0.02 0.38 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 1a0z h VAL 62 CO -0.02 0.17 0.17 0.00 0.02 0.00 0.00 177.57 177.90 1a0z h ALA 63 N 1.18 0.39 -0.62 1.67 0.00 -0.85 -1.92 119.26 119.10 1a0z h ALA 63 Ca 0.20 -0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a0z h ALA 63 Cb -0.03 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.61 1a0z h ALA 63 CO -0.04 -0.09 0.37 -0.44 0.00 0.00 0.00 179.25 179.05 1a0z h ASP 64 N 0.37 0.74 -0.49 0.00 3.32 -0.98 0.29 116.42 119.67 1a0z h ASP 64 Ca 0.11 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.03 1a0z h ASP 64 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1a0z h ASP 64 CO -0.02 0.57 -0.06 0.00 -1.72 0.00 0.00 179.24 178.01 1a0z h ALA 65 N 1.56 0.66 -0.57 3.45 0.00 -0.97 -1.73 119.26 121.66 1a0z h ALA 65 Ca 0.22 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1a0z h ALA 65 Cb -0.03 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1a0z h ALA 65 CO -0.04 0.52 0.12 -0.07 0.00 0.00 0.00 179.25 179.78 1a0z h LEU 66 N 0.75 0.88 -0.44 0.00 3.38 -0.70 -0.62 115.31 118.57 1a0z h LEU 66 Ca 0.13 -0.25 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1a0z h LEU 66 Cb 0.60 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.07 1a0z h LEU 66 CO 0.04 0.90 0.19 0.74 0.09 0.00 0.00 178.44 180.40 1a0z h THR 67 N 0.83 0.91 -0.49 0.22 2.02 -0.82 0.13 112.91 115.71 1a0z h THR 67 Ca 0.18 -0.13 -0.00 0.00 0.77 0.00 0.00 66.41 67.22 1a0z h THR 67 Cb 0.38 0.50 -0.02 0.00 -1.74 0.00 0.00 68.15 67.27 1a0z h THR 67 CO 0.01 0.07 0.30 -1.13 0.37 0.00 0.00 175.52 175.14 1a0z h ASN 68 N 0.38 0.59 -0.41 4.18 -1.24 -1.09 -1.43 115.58 116.56 1a0z h ASN 68 Ca 0.20 -0.05 0.04 0.00 0.71 0.00 0.00 56.30 57.20 1a0z h ASN 68 Cb 0.15 -0.15 -0.04 0.00 0.73 0.00 0.00 38.32 39.01 1a0z h ASN 68 CO -0.17 0.47 0.17 0.00 -1.29 0.00 0.00 177.43 176.61 1a0z h ALA 69 N 1.15 0.50 -0.52 1.57 0.00 -0.17 0.12 119.26 121.91 1a0z h ALA 69 Ca 0.18 0.04 0.01 0.00 0.00 0.00 0.00 54.91 55.14 1a0z h ALA 69 Cb -0.02 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 1a0z h ALA 69 CO -0.03 -0.21 0.33 0.28 0.00 0.00 0.00 179.25 179.63 1a0z h VAL 70 N 0.35 1.10 -0.19 0.00 2.07 -0.44 -0.09 116.25 119.07 1a0z h VAL 70 Ca 0.19 -0.23 -0.02 0.00 0.82 0.00 0.00 66.70 67.45 1a0z h VAL 70 Cb 0.14 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.27 1a0z h VAL 70 CO -0.17 0.12 0.01 0.00 0.02 0.00 0.00 177.57 177.56 1a0z h ALA 71 N 1.21 1.67 -0.68 1.67 0.00 -0.49 -3.01 119.26 119.63 1a0z h ALA 71 Ca 0.20 -0.11 -0.49 0.00 0.00 0.00 0.00 54.91 54.51 1a0z h ALA 71 Cb -0.04 -0.09 -0.37 0.00 0.00 0.00 0.00 17.79 17.29 1a0z h ALA 71 CO -0.06 0.25 -0.68 0.72 0.00 0.00 0.00 179.25 179.48 1a0z n HIS 72 N -4.39 2.46 0.03 0.00 8.25 0.36 -4.83 115.22 117.10 1a0z n HIS 72 Ca -0.00 -2.18 0.22 0.00 -0.26 0.00 0.00 57.72 55.50 1a0z n HIS 72 Cb 0.17 -0.39 0.73 0.00 1.12 0.00 0.00 29.99 31.62 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 1.97 0.45 -0.00 1.59 3.04 -0.89 0.12 116.25 122.52 1a0z h VAL 73 Ca 0.34 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.03 1a0z h VAL 73 Cb 1.45 0.64 0.00 0.00 -2.01 0.00 0.00 31.29 31.37 1a0z h VAL 73 CO 0.72 0.00 -0.43 0.47 -1.01 0.00 0.00 177.57 177.31 1a0z n ASP 74 N -3.89 0.68 -2.67 3.17 8.00 -1.26 -4.22 116.55 116.36 1a0z n ASP 74 Ca 0.09 -0.47 -0.09 0.00 0.71 0.00 0.00 54.79 55.03 1a0z n ASP 74 Cb 0.68 0.23 0.03 0.00 -0.02 0.00 0.00 41.12 42.04 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 -1.23 1.84 -0.10 -2.24 2.03 0.36 -4.99 116.55 112.23 1a0z n ASP 75 Ca 0.08 -2.66 -0.09 0.00 0.52 0.00 0.00 54.79 52.64 1a0z n ASP 75 Cb 0.34 -0.51 -0.01 0.00 -0.72 0.00 0.00 41.12 40.22 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 2.85 0.46 -0.57 -0.67 2.86 -1.60 -0.25 114.93 118.00 1a0z h MET 76 Ca -0.06 -0.04 0.09 0.00 -2.06 0.00 0.00 59.70 57.63 1a0z h MET 76 Cb 1.19 -0.09 -0.07 0.00 0.06 0.00 0.00 31.60 32.68 1a0z h MET 76 CO 0.46 0.35 0.18 -1.35 1.06 0.00 0.00 176.91 177.62 1a0z h PRO 77 N 0.43 0.34 -0.14 -0.22 0.11 -1.94 0.21 132.00 130.79 1a0z h PRO 77 Ca 0.12 -0.02 -0.08 0.00 0.11 0.00 0.00 66.00 66.12 1a0z h PRO 77 Cb 0.02 -0.08 -0.00 0.00 0.11 0.00 0.00 31.00 31.05 1a0z h PRO 77 CO -0.02 0.22 -0.24 -0.97 -0.21 0.00 0.00 178.00 176.78 1a0z h ASN 78 N 0.35 0.46 -0.93 -2.05 -1.24 -1.94 -2.54 115.58 107.69 1a0z h ASN 78 Ca 0.29 -0.54 0.06 0.00 0.71 0.00 0.00 56.30 56.82 1a0z h ASN 78 Cb 0.37 -0.13 -0.06 0.00 0.73 0.00 0.00 38.32 39.23 1a0z h ASN 78 CO -0.32 0.91 0.59 0.00 -1.29 0.00 0.00 177.43 177.33 1a0z h ALA 79 N 0.56 1.28 -0.62 1.57 0.00 -0.15 -2.76 119.26 119.14 1a0z h ALA 79 Ca 0.01 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1a0z h ALA 79 Cb 0.82 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 18.34 1a0z h ALA 79 CO 0.06 0.37 0.00 1.28 0.00 0.00 0.00 179.25 180.96 1a0z n LEU 80 N -4.55 5.06 -0.18 0.00 4.77 0.64 -4.66 117.00 118.09 1a0z n LEU 80 Ca 0.14 -2.56 -0.02 0.00 -0.03 0.00 0.00 56.01 53.54 1a0z n LEU 80 Cb 0.17 -0.62 0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1a0z n LEU 80 CO 0.32 0.73 0.75 -1.28 -1.33 0.00 0.00 177.39 176.58 1a0z h SER 81 N 4.01 -0.54 -0.82 -1.43 0.87 -1.14 -0.65 113.55 113.86 1a0z h SER 81 Ca 0.00 0.17 0.01 0.00 -1.23 0.00 0.00 61.79 60.74 1a0z h SER 81 Cb 1.63 0.35 -0.04 0.00 -0.44 0.00 0.00 62.40 63.89 1a0z h SER 81 CO 0.32 -0.19 0.54 0.00 -0.53 0.00 0.00 176.83 176.98 1a0z h ALA 82 N 1.51 1.43 -0.05 6.23 0.00 -1.85 -2.32 119.26 124.21 1a0z h ALA 82 Ca 0.26 -0.05 -0.20 0.00 0.00 0.00 0.00 54.91 54.91 1a0z h ALA 82 Cb 0.41 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.87 1a0z h ALA 82 CO -0.56 0.53 -0.82 -0.07 0.00 0.00 0.00 179.25 178.32 1a0z h LEU 83 N 1.10 0.53 -0.52 0.00 3.38 -1.51 -1.58 115.31 116.71 1a0z h LEU 83 Ca 0.30 -0.38 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1a0z h LEU 83 Cb -0.11 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.46 1a0z h LEU 83 CO -0.07 1.15 0.31 0.28 0.09 0.00 0.00 178.44 180.20 1a0z h SER 84 N 0.27 0.62 0.41 -0.43 0.02 -1.18 0.20 113.55 113.46 1a0z h SER 84 Ca -0.05 -0.06 -0.02 0.00 -0.84 0.00 0.00 61.79 60.82 1a0z h SER 84 Cb 1.43 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 63.81 1a0z h SER 84 CO 0.14 0.50 -0.19 0.44 -1.14 0.00 0.00 176.83 176.58 1a0z h ASP 85 N 0.69 -0.46 -0.50 3.07 5.19 -1.39 -0.23 116.42 122.79 1a0z h ASP 85 Ca 0.19 -0.02 0.07 0.00 -0.62 0.00 0.00 57.03 56.64 1a0z h ASP 85 Cb -0.01 0.12 -0.06 0.00 0.18 0.00 0.00 39.33 39.57 1a0z h ASP 85 CO -0.03 -0.28 0.18 0.25 -3.12 0.00 0.00 179.24 176.24 1a0z h LEU 86 N -0.61 0.19 -0.29 1.55 5.85 -1.11 0.19 115.31 121.07 1a0z h LEU 86 Ca -0.06 0.06 -0.14 0.00 0.84 0.00 0.00 57.88 58.58 1a0z h LEU 86 Cb 0.46 0.04 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1a0z h LEU 86 CO 0.09 0.13 -0.37 0.45 -0.34 0.00 0.00 178.44 178.41 1a0z h HIS 87 N 0.36 0.93 -0.42 1.25 3.86 -0.89 -1.14 115.15 119.09 1a0z h HIS 87 Ca 0.24 -0.30 -0.06 0.00 -1.16 0.00 0.00 60.37 59.09 1a0z h HIS 87 Cb 0.25 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 1a0z h HIS 87 CO -0.16 1.08 0.02 0.00 0.86 0.00 0.00 177.93 179.73 1a0z h ALA 88 N 0.69 0.56 0.00 2.45 0.00 -0.81 0.60 119.26 122.75 1a0z h ALA 88 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1a0z h ALA 88 Cb 0.96 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.59 1a0z h ALA 88 CO 0.09 0.32 -1.18 0.72 0.00 0.00 0.00 179.25 179.20 1a0z n HIS 89 N -4.45 0.00 0.04 0.00 8.25 0.64 -4.56 115.22 115.15 1a0z n HIS 89 Ca -0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 57.72 57.45 1a0z n HIS 89 Cb 0.27 -0.15 -0.00 0.00 1.12 0.00 0.00 29.99 31.23 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 -1.67 0.01 0.01 -0.41 4.76 -0.53 -4.85 118.16 115.48 1a0z n LYS 90 Ca 0.01 0.00 -0.12 0.00 -2.87 0.00 0.00 58.31 55.33 1a0z n LYS 90 Cb 0.34 -0.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.97 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 0.04 -1.63 -0.35 3.38 -1.36 -3.47 115.31 111.88 1a0z h LEU 91 Ca 0.00 -0.22 -0.39 0.00 0.09 0.00 0.00 57.88 57.36 1a0z h LEU 91 Cb 0.02 -0.01 0.10 0.00 0.09 0.00 0.00 40.66 40.86 1a0z h LEU 91 CO 0.00 0.25 -0.80 0.54 0.09 0.00 0.00 178.44 178.53 1a0z n ARG 92 N -4.96 -5.75 -2.60 1.13 3.00 0.21 -4.94 116.66 102.74 1a0z n ARG 92 Ca -0.07 0.72 -0.42 0.00 -0.01 0.00 0.00 57.85 58.06 1a0z n ARG 92 Cb 0.14 -5.49 -0.03 0.00 0.00 0.00 0.00 32.46 27.08 1a0z n ARG 92 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.63 177.71 1a0z s VAL 93 N -3.51 4.58 0.33 1.55 1.01 -1.26 -4.97 120.40 118.12 1a0z s VAL 93 Ca 0.07 1.85 -0.29 0.00 0.00 0.00 0.00 61.98 63.62 1a0z s VAL 93 Cb -0.03 -4.19 -0.12 0.00 0.00 0.00 0.00 36.38 32.04 1a0z s VAL 93 CO 0.78 0.09 1.42 -0.67 0.00 0.00 0.00 175.10 176.72 1a0z n ASP 94 N 4.36 3.29 -0.01 3.32 -0.08 -1.26 -4.84 116.55 121.32 1a0z n ASP 94 Ca 0.08 1.20 0.23 0.00 -1.51 0.00 0.00 54.79 54.79 1a0z n ASP 94 Cb 0.49 -1.54 0.69 0.00 2.34 0.00 0.00 41.12 43.10 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 3.28 0.00 0.00 -0.67 0.11 -2.00 -2.28 132.00 130.44 1a0z h PRO 95 Ca -0.48 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.59 1a0z h PRO 95 Cb 1.26 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.36 1a0z h PRO 95 CO 0.68 0.00 -0.21 -0.39 -0.21 0.00 0.00 178.00 177.86 1a0z h VAL 96 N 0.00 0.89 -0.30 3.15 -1.51 -2.03 -3.01 116.25 113.43 1a0z h VAL 96 Ca 0.29 -0.81 -0.06 0.00 -1.23 0.00 0.00 66.70 64.89 1a0z h VAL 96 Cb 1.54 1.47 -0.02 0.00 -2.13 0.00 0.00 31.29 32.16 1a0z h VAL 96 CO -0.00 0.21 -0.09 0.78 -1.23 0.00 0.00 177.57 177.24 1a0z h ASN 97 N 0.00 0.47 -0.39 4.19 2.35 -1.77 -2.22 115.58 118.21 1a0z h ASN 97 Ca -0.00 -0.11 0.02 0.00 -0.55 0.00 0.00 56.30 55.65 1a0z h ASN 97 Cb 0.46 -0.13 -0.02 0.00 0.05 0.00 0.00 38.32 38.68 1a0z h ASN 97 CO 0.03 0.61 0.26 -0.26 -1.65 0.00 0.00 177.43 176.41 1a0z h PHE 98 N 0.46 0.44 -0.00 1.19 -1.00 -1.70 -0.19 116.94 116.14 1a0z h PHE 98 Ca 0.09 0.01 -0.14 0.00 2.81 0.00 0.00 57.97 60.74 1a0z h PHE 98 Cb 0.44 -0.15 -0.02 0.00 3.61 0.00 0.00 35.95 39.83 1a0z h PHE 98 CO 0.01 0.27 -0.68 -0.22 -1.61 0.00 0.00 178.31 176.08 1a0z h LYS 99 N 0.47 0.01 -0.14 1.51 3.11 -1.54 -1.45 116.57 118.54 1a0z h LYS 99 Ca 0.15 -0.01 -0.06 0.00 -2.81 0.00 0.00 60.65 57.92 1a0z h LYS 99 Cb 0.03 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.27 1a0z h LYS 99 CO -0.03 0.69 -0.16 -0.07 -2.81 0.00 0.00 179.45 177.06 1a0z h LEU 100 N 0.01 0.38 -0.66 5.20 3.38 -1.06 -2.53 115.31 120.03 1a0z h LEU 100 Ca -0.01 -0.50 -0.07 0.00 0.09 0.00 0.00 57.88 57.39 1a0z h LEU 100 Cb 1.21 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.82 1a0z h LEU 100 CO 0.09 0.80 0.12 0.25 0.09 0.00 0.00 178.44 179.79 1a0z h LEU 101 N -0.04 1.03 -0.55 1.67 5.85 -1.08 -2.56 115.31 119.63 1a0z h LEU 101 Ca 0.02 -0.25 0.07 0.00 0.84 0.00 0.00 57.88 58.55 1a0z h LEU 101 Cb 0.71 -0.27 -0.06 0.00 0.37 0.00 0.00 40.66 41.41 1a0z h LEU 101 CO 0.04 1.02 0.24 0.28 -0.34 0.00 0.00 178.44 179.68 1a0z h SER 102 N 1.00 0.30 -0.48 1.25 0.02 -1.18 0.02 113.55 114.48 1a0z h SER 102 Ca 0.20 0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.20 1a0z h SER 102 Cb 0.42 0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.94 1a0z h SER 102 CO 0.01 0.20 0.31 -0.74 -1.14 0.00 0.00 176.83 175.47 1a0z h HIS 103 N 0.45 0.62 0.00 3.45 -0.00 -1.34 -1.65 115.15 116.68 1a0z h HIS 103 Ca 0.26 0.01 -0.06 0.00 -0.00 0.00 0.00 60.37 60.57 1a0z h HIS 103 Cb 0.24 -0.21 -0.01 0.00 -0.00 0.00 0.00 27.41 27.44 1a0z h HIS 103 CO -0.13 0.41 -0.31 0.00 -0.00 0.00 0.00 177.93 177.90 1a0z h LEU 105 N 0.00 0.64 -0.58 0.00 5.85 -0.53 -2.33 115.31 118.37 1a0z h LEU 105 Ca -0.00 -0.45 -0.01 0.00 0.84 0.00 0.00 57.88 58.25 1a0z h LEU 105 Cb 0.61 -0.18 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 1a0z h LEU 105 CO 0.04 0.96 0.31 -0.07 -0.34 0.00 0.00 178.44 179.34 1a0z h LEU 106 N 0.33 0.72 -0.31 2.25 3.38 -1.02 -1.10 115.31 119.56 1a0z h LEU 106 Ca 0.05 -0.09 -0.01 0.00 0.09 0.00 0.00 57.88 57.91 1a0z h LEU 106 Cb 0.76 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.31 1a0z h LEU 106 CO 0.06 0.61 0.15 0.58 0.09 0.00 0.00 178.44 179.92 1a0z h VAL 107 N 0.78 1.15 -0.04 1.22 2.07 -1.21 -0.57 116.25 119.65 1a0z h VAL 107 Ca 0.20 -0.44 0.03 0.00 0.82 0.00 0.00 66.70 67.31 1a0z h VAL 107 Cb 0.05 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.67 1a0z h VAL 107 CO -0.03 0.16 -0.12 0.74 0.02 0.00 0.00 177.57 178.34 1a0z h THR 108 N 0.36 0.69 -0.68 2.57 2.02 -1.16 -0.81 112.91 115.91 1a0z h THR 108 Ca 0.11 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.32 1a0z h THR 108 Cb 0.12 0.69 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1a0z h THR 108 CO -0.01 0.00 0.42 -0.07 0.37 0.00 0.00 175.52 176.23 1a0z h LEU 109 N -0.18 0.69 -0.71 2.58 3.38 -1.03 -2.42 115.31 117.61 1a0z h LEU 109 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1a0z h LEU 109 Cb 0.26 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1a0z h LEU 109 CO -0.15 0.47 0.36 0.00 0.09 0.00 0.00 178.44 179.21 1a0z h ALA 110 N 1.29 0.92 0.00 1.53 0.00 -0.75 0.30 119.26 122.54 1a0z h ALA 110 Ca 0.27 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1a0z h ALA 110 Cb 0.03 -0.28 0.00 0.00 0.00 0.00 0.00 17.79 17.53 1a0z h ALA 110 CO -0.11 0.46 0.00 0.00 0.00 0.00 0.00 179.25 179.61 1a0z h ALA 111 N 1.18 1.00 0.00 0.00 0.00 -0.70 -3.30 119.26 117.43 1a0z h ALA 111 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1a0z h ALA 111 Cb 0.09 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1a0z h ALA 111 CO -0.03 0.00 -1.17 0.72 0.00 0.00 0.00 179.25 178.77 1a0z n HIS 112 N -2.79 0.00 -3.43 0.00 -0.00 -0.86 -4.82 115.22 103.31 1a0z n HIS 112 Ca 0.01 0.00 -0.30 0.00 -0.00 0.00 0.00 57.72 57.43 1a0z n HIS 112 Cb 0.27 -0.13 -0.07 0.00 -0.00 0.00 0.00 29.99 30.06 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 -1.65 4.12 -0.08 2.41 4.77 0.98 -4.93 117.00 122.63 1a0z n LEU 113 Ca -0.01 -5.37 -0.08 0.00 -0.03 0.00 0.00 56.01 50.53 1a0z n LEU 113 Cb 0.15 -0.80 -0.00 0.00 -2.33 0.00 0.00 43.42 40.44 1a0z n LEU 113 CO 0.13 1.94 0.94 1.55 -1.33 0.00 0.00 177.39 180.61 1a0z h PRO 114 N 4.63 0.25 -0.31 3.23 0.13 -1.84 -2.05 132.00 136.04 1a0z h PRO 114 Ca 0.19 -0.02 -0.18 0.00 -0.87 0.00 0.00 66.00 65.12 1a0z h PRO 114 Cb 0.67 -0.06 -0.00 0.00 0.13 0.00 0.00 31.00 31.75 1a0z h PRO 114 CO 0.90 0.17 -0.52 0.00 -0.23 0.00 0.00 178.00 178.32 1a0z h ALA 115 N 1.17 0.49 0.00 -0.56 0.00 -1.95 -3.35 119.26 115.06 1a0z h ALA 115 Ca 0.13 -0.50 -0.20 0.00 0.00 0.00 0.00 54.91 54.33 1a0z h ALA 115 Cb 0.08 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 1a0z h ALA 115 CO -0.12 0.68 -1.01 0.93 0.00 0.00 0.00 179.25 179.73 1a0z h GLU 116 N 0.69 0.00 -3.59 0.00 3.07 -1.95 -3.41 114.58 109.40 1a0z h GLU 116 Ca 0.02 0.00 -0.43 0.00 -0.50 0.00 0.00 59.36 58.46 1a0z h GLU 116 Cb 1.12 0.00 0.02 0.00 -0.84 0.00 0.00 28.75 29.05 1a0z h GLU 116 CO 0.12 0.85 2.60 0.34 -1.40 0.00 0.00 179.01 181.52 1a0z n PHE 117 N -3.29 1.49 -1.94 4.33 7.35 -0.78 -4.72 117.46 119.90 1a0z n PHE 117 Ca -0.02 -1.98 -0.29 0.00 -0.76 0.00 0.00 57.45 54.40 1a0z n PHE 117 Cb 0.92 -1.71 0.06 0.00 0.35 0.00 0.00 39.48 39.10 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 3.61 2.95 0.25 -2.13 -4.23 -1.26 -4.77 115.64 110.05 1a0z s THR 118 Ca 0.43 0.25 -0.04 0.00 -1.18 0.00 0.00 61.69 61.16 1a0z s THR 118 Cb 0.11 -3.30 0.22 0.00 1.34 0.00 0.00 72.50 70.87 1a0z s THR 118 CO -0.01 -0.38 1.78 -0.65 -0.54 0.00 0.00 174.62 174.81 1a0z h PRO 119 N -0.75 0.63 -0.51 3.99 0.11 -1.98 0.38 132.00 133.87 1a0z h PRO 119 Ca -0.45 -0.04 -0.04 0.00 0.11 0.00 0.00 66.00 65.58 1a0z h PRO 119 Cb 1.28 -0.14 -0.02 0.00 0.11 0.00 0.00 31.00 32.23 1a0z h PRO 119 CO 0.64 0.42 0.15 0.00 -0.21 0.00 0.00 178.00 179.00 1a0z h ALA 120 N 1.50 0.66 -0.36 -0.75 0.00 -1.95 -0.62 119.26 117.74 1a0z h ALA 120 Ca 0.41 -0.19 -0.17 0.00 0.00 0.00 0.00 54.91 54.97 1a0z h ALA 120 Cb 0.51 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 1a0z h ALA 120 CO -0.31 0.33 -0.42 0.28 0.00 0.00 0.00 179.25 179.13 1a0z h VAL 121 N 0.69 1.27 -0.19 0.00 2.07 -1.69 -1.94 116.25 116.46 1a0z h VAL 121 Ca 0.16 -1.59 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1a0z h VAL 121 Cb 0.29 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.46 1a0z h VAL 121 CO -0.00 0.53 -0.01 -0.74 0.02 0.00 0.00 177.57 177.37 1a0z h HIS 122 N 0.74 -0.03 -0.82 1.57 6.17 -0.09 0.17 115.15 122.87 1a0z h HIS 122 Ca 0.05 0.01 -0.01 0.00 0.71 0.00 0.00 60.37 61.13 1a0z h HIS 122 Cb 1.02 0.04 -0.04 0.00 2.52 0.00 0.00 27.41 30.95 1a0z h HIS 122 CO 0.07 -0.04 0.47 0.00 0.71 0.00 0.00 177.93 179.14 1a0z h ALA 123 N 1.17 1.04 -0.35 5.26 0.00 -0.96 -1.68 119.26 123.74 1a0z h ALA 123 Ca 0.09 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1a0z h ALA 123 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1a0z h ALA 123 CO -0.16 0.53 0.17 0.77 0.00 0.00 0.00 179.25 180.56 1a0z h SER 124 N 1.13 0.46 -0.53 0.00 0.02 -0.82 -1.62 113.55 112.18 1a0z h SER 124 Ca 0.29 -0.12 -0.08 0.00 -0.84 0.00 0.00 61.79 61.03 1a0z h SER 124 Cb -0.00 -0.12 -0.02 0.00 0.14 0.00 0.00 62.40 62.40 1a0z h SER 124 CO -0.05 0.45 0.01 -0.07 -1.14 0.00 0.00 176.83 176.03 1a0z h LEU 125 N 0.43 0.91 -0.26 5.07 3.38 -0.85 0.20 115.31 124.19 1a0z h LEU 125 Ca 0.12 -0.30 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1a0z h LEU 125 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 1a0z h LEU 125 CO -0.02 0.99 0.17 -0.78 0.09 0.00 0.00 178.44 178.90 1a0z h ASP 126 N 0.81 0.29 -0.72 -0.43 3.58 -1.18 -0.25 116.42 118.51 1a0z h ASP 126 Ca 0.15 -0.01 -0.03 0.00 0.42 0.00 0.00 57.03 57.56 1a0z h ASP 126 Cb 0.52 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 41.47 1a0z h ASP 126 CO 0.03 0.21 0.32 0.11 -2.88 0.00 0.00 179.24 177.03 1a0z h LYS 127 N 0.34 1.05 -0.60 0.28 1.57 -1.10 -1.72 116.57 116.40 1a0z h LYS 127 Ca 0.10 -0.17 -0.07 0.00 -1.87 0.00 0.00 60.65 58.64 1a0z h LYS 127 Cb -0.03 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 1a0z h LYS 127 CO -0.03 0.84 0.11 0.35 -0.57 0.00 0.00 179.45 180.16 1a0z h PHE 128 N 1.02 1.05 -0.06 -1.35 3.57 -0.18 -2.03 116.94 118.95 1a0z h PHE 128 Ca 0.24 -0.14 -0.12 0.00 3.53 0.00 0.00 57.97 61.48 1a0z h PHE 128 Cb 0.15 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1a0z h PHE 128 CO 0.01 0.90 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.40 1a0z h LEU 129 N 0.90 0.18 -0.66 0.59 3.38 -0.87 -0.64 115.31 118.17 1a0z h LEU 129 Ca 0.18 -0.09 -0.11 0.00 0.09 0.00 0.00 57.88 57.96 1a0z h LEU 129 Cb 0.40 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.09 1a0z h LEU 129 CO 0.01 0.67 -0.11 0.00 0.09 0.00 0.00 178.44 179.10 1a0z h ALA 130 N 1.34 0.86 -0.40 1.53 0.00 -1.16 -1.06 119.26 120.36 1a0z h ALA 130 Ca 0.00 -0.34 -0.10 0.00 0.00 0.00 0.00 54.91 54.47 1a0z h ALA 130 Cb 0.96 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.56 1a0z h ALA 130 CO 0.08 0.65 -0.15 0.77 0.00 0.00 0.00 179.25 180.60 1a0z h SER 131 N 0.83 0.83 -0.58 0.00 0.02 -0.86 -1.22 113.55 112.57 1a0z h SER 131 Ca 0.13 -0.38 -0.02 0.00 -0.84 0.00 0.00 61.79 60.68 1a0z h SER 131 Cb 0.64 -0.23 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 1a0z h SER 131 CO 0.04 1.03 0.29 0.58 -1.14 0.00 0.00 176.83 177.64 1a0z h VAL 132 N 0.63 1.20 -0.85 2.27 2.07 -1.00 -1.44 116.25 119.13 1a0z h VAL 132 Ca 0.10 -0.54 0.01 0.00 0.82 0.00 0.00 66.70 67.08 1a0z h VAL 132 Cb 0.69 0.50 -0.04 0.00 -1.52 0.00 0.00 31.29 30.92 1a0z h VAL 132 CO 0.05 0.22 0.56 0.28 0.02 0.00 0.00 177.57 178.70 1a0z h SER 133 N 0.78 0.97 -0.36 0.57 0.02 -1.00 -0.64 113.55 113.89 1a0z h SER 133 Ca 0.20 -0.02 -0.01 0.00 -0.84 0.00 0.00 61.79 61.12 1a0z h SER 133 Cb 0.09 -0.24 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 1a0z h SER 133 CO -0.03 0.70 0.19 0.74 -1.14 0.00 0.00 176.83 177.29 1a0z h THR 134 N 1.14 1.15 0.03 -2.27 2.02 -1.00 -1.91 112.91 112.08 1a0z h THR 134 Ca 0.31 -0.42 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 1a0z h THR 134 Cb -0.12 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.06 1a0z h THR 134 CO -0.07 0.16 -0.01 0.58 0.37 0.00 0.00 175.52 176.55 1a0z h VAL 135 N 0.45 1.05 0.00 3.16 2.07 -0.84 -2.04 116.25 120.11 1a0z h VAL 135 Ca 0.13 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 1a0z h VAL 135 Cb 0.09 1.22 -0.00 0.00 -1.52 0.00 0.00 31.29 31.08 1a0z h VAL 135 CO -0.02 0.06 -0.01 -0.07 0.02 0.00 0.00 177.57 177.55 1a0z h LEU 136 N -0.14 0.00 -2.89 2.57 3.38 -0.98 -2.14 115.31 115.11 1a0z h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a0z h LEU 136 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1a0z h LEU 136 CO 0.01 0.01 0.00 0.35 0.09 0.00 0.00 178.44 178.90 1a0z n THR 137 N -3.79 1.13 0.31 0.22 -2.24 -0.73 -4.51 114.28 104.66 1a0z n THR 137 Ca -0.03 -1.07 0.16 0.00 -2.27 0.00 0.00 64.05 60.85 1a0z n THR 137 Cb 0.10 0.43 0.67 0.00 -2.10 0.00 0.00 70.33 69.43 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 2.73 0.00 -0.41 3.42 4.64 -0.67 -2.86 113.55 120.41 1a0z h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a0z h SER 138 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1a0z h SER 138 CO 0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.28 1a0z n LYS 139 N -2.89 3.22 -0.06 4.77 5.02 -1.26 -4.66 118.16 122.31 1a0z n LYS 139 Ca 0.01 -2.62 0.00 0.00 -2.02 0.00 0.00 58.31 53.68 1a0z n LYS 139 Cb 0.27 -1.69 0.30 0.00 -0.02 0.00 0.00 35.03 33.89 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 2.61 0.66 0.00 2.13 -1.99 -1.82 -3.46 116.97 115.10 1a0z h TYR 140 Ca 0.00 -0.03 0.00 0.00 2.00 0.00 0.00 58.73 60.70 1a0z h TYR 140 Cb 1.24 -0.20 0.00 0.00 2.00 0.00 0.00 36.73 39.77 1a0z h TYR 140 CO 0.51 0.53 0.00 2.89 -0.00 0.00 0.00 178.16 182.09