#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1a0u s LEU 2 N 0.00 4.28 0.63 7.52 1.43 -1.26 -5.06 118.68 126.22 1a0u s LEU 2 Ca 0.00 1.42 -0.05 0.00 -1.03 0.00 0.00 54.13 54.47 1a0u s LEU 2 Cb 0.00 -3.39 0.03 0.00 0.03 0.00 0.00 46.19 42.86 1a0u s LEU 2 CO 0.00 -0.32 0.92 -0.94 0.23 0.00 0.00 176.35 176.24 1a0u s SER 3 N 1.03 5.24 0.24 2.29 1.04 -1.26 -4.88 113.70 117.40 1a0u s SER 3 Ca 0.45 0.49 -0.05 0.00 0.48 0.00 0.00 55.95 57.32 1a0u s SER 3 Cb -0.19 -1.34 0.43 0.00 0.10 0.00 0.00 66.02 65.03 1a0u s SER 3 CO 0.19 -1.28 1.74 -0.65 0.98 0.00 0.00 173.24 174.23 1a0u h PRO 4 N -0.29 0.48 -0.18 4.02 0.11 -1.99 -0.32 132.00 133.83 1a0u h PRO 4 Ca -0.45 -0.03 0.04 0.00 0.11 0.00 0.00 66.00 65.68 1a0u h PRO 4 Cb 1.29 -0.11 -0.04 0.00 0.11 0.00 0.00 31.00 32.25 1a0u h PRO 4 CO 0.59 0.32 -0.08 0.00 -0.21 0.00 0.00 178.00 178.62 1a0u h ALA 5 N 1.52 0.07 -0.37 -0.75 0.00 -1.99 -0.06 119.26 117.68 1a0u h ALA 5 Ca 0.40 0.07 0.05 0.00 0.00 0.00 0.00 54.91 55.43 1a0u h ALA 5 Cb 0.56 0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.51 1a0u h ALA 5 CO -0.37 -0.52 0.09 -0.44 0.00 0.00 0.00 179.25 178.02 1a0u h ASP 6 N -0.06 0.05 -0.85 0.00 3.32 -1.62 0.06 116.42 117.33 1a0u h ASP 6 Ca 0.10 0.05 0.00 0.00 0.02 0.00 0.00 57.03 57.20 1a0u h ASP 6 Cb 0.21 0.06 -0.04 0.00 0.22 0.00 0.00 39.33 39.78 1a0u h ASP 6 CO -0.22 0.07 0.54 0.11 -1.72 0.00 0.00 179.24 178.02 1a0u h LYS 7 N 0.22 1.13 -0.47 3.56 1.57 -0.23 0.17 116.57 122.53 1a0u h LYS 7 Ca 0.17 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.83 1a0u h LYS 7 Cb 0.18 -0.25 -0.02 0.00 0.08 0.00 0.00 32.23 32.23 1a0u h LYS 7 CO -0.21 0.76 0.12 1.15 -0.57 0.00 0.00 179.45 180.71 1a0u h THR 8 N 1.15 1.23 -0.22 -0.16 2.02 -0.75 -1.19 112.91 114.99 1a0u h THR 8 Ca 0.31 -0.80 0.02 0.00 0.77 0.00 0.00 66.41 66.71 1a0u h THR 8 Cb -0.10 0.87 -0.02 0.00 -1.74 0.00 0.00 68.15 67.15 1a0u h THR 8 CO -0.06 0.29 0.09 0.78 0.37 0.00 0.00 175.52 176.98 1a0u h ASN 9 N 0.62 0.12 -0.40 4.18 -0.26 -0.29 -0.85 115.58 118.69 1a0u h ASN 9 Ca 0.15 0.02 -0.04 0.00 -0.56 0.00 0.00 56.30 55.86 1a0u h ASN 9 Cb 0.31 -0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.55 1a0u h ASN 9 CO -0.00 0.10 0.08 0.58 -1.06 0.00 0.00 177.43 177.13 1a0u h VAL 10 N 0.20 1.23 -0.59 2.81 2.07 -0.59 -0.96 116.25 120.43 1a0u h VAL 10 Ca 0.09 -0.82 -0.08 0.00 0.82 0.00 0.00 66.70 66.71 1a0u h VAL 10 Cb 0.04 1.00 -0.02 0.00 -1.52 0.00 0.00 31.29 30.79 1a0u h VAL 10 CO -0.08 0.28 0.05 0.11 0.02 0.00 0.00 177.57 177.96 1a0u h LYS 11 N 0.51 0.99 0.64 1.57 1.57 -1.12 -0.46 116.57 120.26 1a0u h LYS 11 Ca 0.12 -0.27 -0.03 0.00 -1.87 0.00 0.00 60.65 58.60 1a0u h LYS 11 Cb 0.34 -0.11 0.01 0.00 0.08 0.00 0.00 32.23 32.54 1a0u h LYS 11 CO 0.00 0.94 -0.31 0.00 -0.57 0.00 0.00 179.45 179.52 1a0u h ALA 12 N 1.13 -0.86 -0.43 3.86 0.00 -1.04 0.30 119.26 122.23 1a0u h ALA 12 Ca 0.18 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1a0u h ALA 12 Cb 0.46 0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.56 1a0u h ALA 12 CO 0.02 -0.88 0.23 0.00 0.00 0.00 0.00 179.25 178.61 1a0u h ALA 13 N -0.83 0.55 -0.21 0.00 0.00 -1.17 -1.84 119.26 115.75 1a0u h ALA 13 Ca -0.09 -0.09 -0.06 0.00 0.00 0.00 0.00 54.91 54.68 1a0u h ALA 13 Cb 0.70 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.31 1a0u h ALA 13 CO 0.14 0.08 -0.12 2.35 0.00 0.00 0.00 179.25 181.70 1a0u h TRP 14 N 0.56 0.36 -0.61 0.00 2.91 -1.12 -2.39 115.95 115.65 1a0u h TRP 14 Ca 0.15 -0.05 0.08 0.00 1.13 0.00 0.00 58.89 60.21 1a0u h TRP 14 Cb 0.06 -0.10 -0.07 0.00 -0.51 0.00 0.00 29.16 28.55 1a0u h TRP 14 CO -0.02 0.46 0.26 0.78 -1.03 0.00 0.00 178.44 178.89 1a0u h GLY 15 N 0.82 0.87 1.82 2.65 0.00 0.44 -1.37 103.07 108.30 1a0u h GLY 15 Ca 0.06 -0.15 -0.09 0.00 0.00 0.00 0.00 47.33 47.15 1a0u h GLY 15 CO 0.02 0.02 -0.36 0.50 0.00 0.00 0.00 176.54 176.73 1a0u h LYS 16 N 0.47 0.21 -0.39 4.80 1.79 -1.03 -2.84 116.57 119.57 1a0u h LYS 16 Ca 0.30 -0.09 0.04 0.00 -2.18 0.00 0.00 60.65 58.72 1a0u h LYS 16 Cb 0.33 -0.01 -0.04 0.00 -1.58 0.00 0.00 32.23 30.93 1a0u h LYS 16 CO -0.27 0.54 0.16 0.28 -1.08 0.00 0.00 179.45 179.08 1a0u h VAL 17 N 0.18 0.92 0.00 0.50 2.07 -0.90 -3.45 116.25 115.56 1a0u h VAL 17 Ca 0.02 -0.11 0.00 0.00 0.82 0.00 0.00 66.70 67.43 1a0u h VAL 17 Cb 0.72 0.56 0.00 0.00 -1.52 0.00 0.00 31.29 31.05 1a0u h VAL 17 CO 0.05 0.06 0.00 0.61 0.02 0.00 0.00 177.57 178.31 1a0u n GLY 18 N -1.22 3.16 0.00 2.17 0.00 -1.06 -1.14 105.19 107.11 1a0u n GLY 18 Ca 0.02 0.06 0.09 0.00 0.00 0.00 0.00 46.02 46.19 1a0u n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1a0u n ALA 19 N 10.25 2.23 0.98 4.61 0.00 -1.26 -2.84 120.51 134.49 1a0u n ALA 19 Ca 0.00 -0.12 0.10 0.00 0.00 0.00 0.00 53.44 53.43 1a0u n ALA 19 Cb 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 19.45 18.07 1a0u n ALA 19 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1a0u n HIS 20 N -0.97 0.00 -0.37 0.00 8.25 -0.29 -4.53 115.22 117.31 1a0u n HIS 20 Ca 0.14 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.62 1a0u n HIS 20 Cb 0.06 -0.04 0.08 0.00 1.12 0.00 0.00 29.99 31.21 1a0u n HIS 20 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1a0u h ALA 21 N 2.98 0.35 -0.03 -1.41 0.00 -1.62 -0.17 119.26 119.36 1a0u h ALA 21 Ca 0.00 0.32 0.04 0.00 0.00 0.00 0.00 54.91 55.26 1a0u h ALA 21 Cb 0.51 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.16 1a0u h ALA 21 CO 0.00 -0.53 -0.31 0.78 0.00 0.00 0.00 179.25 179.19 1a0u h GLY 22 N -0.00 -0.48 1.38 0.00 0.00 -1.85 0.15 103.07 102.27 1a0u h GLY 22 Ca 0.40 0.37 -0.04 0.00 0.00 0.00 0.00 47.33 48.06 1a0u h GLY 22 CO -1.00 -0.23 0.17 -2.09 0.00 0.00 0.00 176.54 173.39 1a0u h GLU 23 N -0.44 0.79 -0.06 4.80 4.81 -1.51 -1.95 114.58 121.02 1a0u h GLU 23 Ca 0.07 -0.14 -0.15 0.00 -0.13 0.00 0.00 59.36 59.01 1a0u h GLU 23 Cb 0.54 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1a0u h GLU 23 CO -0.28 0.69 -0.61 1.88 -0.73 0.00 0.00 179.01 179.96 1a0u h TYR 24 N 0.77 0.28 -0.29 0.92 0.05 -0.65 -1.56 116.97 116.50 1a0u h TYR 24 Ca 0.18 -0.11 -0.04 0.00 0.05 0.00 0.00 58.73 58.81 1a0u h TYR 24 Cb 0.23 -0.05 -0.01 0.00 1.01 0.00 0.00 36.73 37.91 1a0u h TYR 24 CO 0.01 0.77 0.04 0.78 -1.05 0.00 0.00 178.16 178.72 1a0u h GLY 25 N 1.51 0.52 0.99 3.88 0.00 -0.15 -1.25 103.07 108.57 1a0u h GLY 25 Ca -0.01 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 46.97 1a0u h GLY 25 CO 0.09 0.32 0.27 0.00 0.00 0.00 0.00 176.54 177.23 1a0u h ALA 26 N 0.87 0.57 -0.77 3.60 0.00 -1.26 -2.07 119.26 120.19 1a0u h ALA 26 Ca 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 1a0u h ALA 26 Cb 0.35 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 1a0u h ALA 26 CO 0.01 0.06 0.30 1.49 0.00 0.00 0.00 179.25 181.10 1a0u h GLU 27 N 0.60 1.17 -0.92 0.00 4.81 -1.17 -1.18 114.58 117.89 1a0u h GLU 27 Ca 0.16 -0.22 -0.01 0.00 -0.13 0.00 0.00 59.36 59.16 1a0u h GLU 27 Cb -0.01 -0.19 -0.04 0.00 0.63 0.00 0.00 28.75 29.14 1a0u h GLU 27 CO -0.03 0.96 0.54 0.00 -0.73 0.00 0.00 179.01 179.74 1a0u h ALA 28 N 1.16 1.17 0.17 2.92 0.00 -0.97 -0.34 119.26 123.36 1a0u h ALA 28 Ca 0.26 -0.11 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1a0u h ALA 28 Cb 0.23 -0.37 0.00 0.00 0.00 0.00 0.00 17.79 17.66 1a0u h ALA 28 CO -0.02 0.65 -0.08 -0.07 0.00 0.00 0.00 179.25 179.73 1a0u h LEU 29 N 1.27 -0.19 -0.65 0.00 3.38 -0.78 -1.29 115.31 117.05 1a0u h LEU 29 Ca 0.33 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.21 1a0u h LEU 29 Cb -0.03 0.05 -0.06 0.00 0.09 0.00 0.00 40.66 40.71 1a0u h LEU 29 CO -0.06 0.04 0.33 -0.08 0.09 0.00 0.00 178.44 178.77 1a0u h GLU 30 N -0.43 0.59 -0.93 1.13 4.81 -1.03 0.75 114.58 119.48 1a0u h GLU 30 Ca -0.02 -0.04 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1a0u h GLU 30 Cb 0.33 -0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.53 1a0u h GLU 30 CO 0.04 0.39 0.62 0.00 -0.73 0.00 0.00 179.01 179.32 1a0u h ARG 31 N 0.61 1.21 -0.53 1.92 3.08 -0.90 -1.78 114.38 117.99 1a0u h ARG 31 Ca 0.30 -0.07 -0.12 0.00 0.07 0.00 0.00 59.98 60.16 1a0u h ARG 31 Cb 0.25 -0.27 -0.02 0.00 0.08 0.00 0.00 29.97 30.01 1a0u h ARG 31 CO -0.21 0.80 -0.14 1.98 -1.07 0.00 0.00 179.97 181.32 1a0u h MET 32 N 1.25 1.02 -0.75 0.04 4.05 0.14 -0.55 114.93 120.13 1a0u h MET 32 Ca 0.35 -0.40 -0.06 0.00 -0.28 0.00 0.00 59.70 59.30 1a0u h MET 32 Cb -0.12 -0.05 -0.03 0.00 -0.80 0.00 0.00 31.60 30.59 1a0u h MET 32 CO -0.08 1.09 0.23 0.74 0.23 0.00 0.00 176.91 179.12 1a0u h PHE 33 N 0.90 1.21 -0.02 1.39 0.04 -0.54 0.87 116.94 120.79 1a0u h PHE 33 Ca 0.13 -0.12 -0.19 0.00 2.80 0.00 0.00 57.97 60.58 1a0u h PHE 33 Cb 0.72 -0.35 0.01 0.00 2.20 0.00 0.00 35.95 38.53 1a0u h PHE 33 CO 0.05 0.95 -0.75 -0.07 -0.60 0.00 0.00 178.31 177.89 1a0u h LEU 34 N 1.12 0.69 0.06 1.54 3.38 -1.22 -3.21 115.31 117.67 1a0u h LEU 34 Ca 0.24 -0.73 -0.27 0.00 0.09 0.00 0.00 57.88 57.21 1a0u h LEU 34 Cb 0.32 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1a0u h LEU 34 CO -0.01 1.33 -1.35 0.28 0.09 0.00 0.00 178.44 178.79 1a0u h SER 35 N 0.12 0.20 -2.57 -0.43 0.02 -1.10 -3.41 113.55 106.38 1a0u h SER 35 Ca -0.09 -0.26 -0.60 0.00 -0.84 0.00 0.00 61.79 60.00 1a0u h SER 35 Cb 1.43 -0.07 -0.40 0.00 0.14 0.00 0.00 62.40 63.51 1a0u h SER 35 CO 0.15 1.22 -0.83 0.49 -1.14 0.00 0.00 176.83 176.72 1a0u n PHE 36 N -3.36 0.78 0.32 3.45 3.72 0.30 -4.98 117.46 117.69 1a0u n PHE 36 Ca -0.10 -3.71 0.20 0.00 -0.05 0.00 0.00 57.45 53.79 1a0u n PHE 36 Cb 1.01 -0.13 1.07 0.00 -0.94 0.00 0.00 39.48 40.49 1a0u n PHE 36 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1a0u h PRO 37 N 5.35 0.00 0.00 -1.08 0.11 -1.70 -1.80 132.00 132.87 1a0u h PRO 37 Ca 0.21 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.32 1a0u h PRO 37 Cb 0.84 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1a0u h PRO 37 CO 0.52 0.00 0.00 1.79 -0.21 0.00 0.00 178.00 180.10 1a0u h THR 38 N 0.00 0.00 0.00 -1.15 1.35 -1.90 -2.51 112.91 108.70 1a0u h THR 38 Ca 0.01 -0.29 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 1a0u h THR 38 Cb 0.19 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 67.83 1a0u h THR 38 CO -0.00 0.00 0.00 0.71 -0.25 0.00 0.00 175.52 175.98 1a0u h THR 39 N 0.00 0.00 0.00 6.82 1.35 -1.64 -2.99 112.91 116.45 1a0u h THR 39 Ca 0.00 -0.52 -0.02 0.00 -0.55 0.00 0.00 66.41 65.32 1a0u h THR 39 Cb 0.31 1.44 -0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1a0u h THR 39 CO 0.00 0.00 -0.10 0.11 -0.25 0.00 0.00 175.52 175.28 1a0u h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.65 -2.85 116.57 118.36 1a0u h LYS 40 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1a0u h LYS 40 Cb 0.59 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.90 1a0u h LYS 40 CO 0.00 0.10 0.03 1.79 -0.57 0.00 0.00 179.45 180.81 1a0u h THR 41 N 0.00 0.00 -0.00 -0.16 1.35 -1.72 -0.27 112.91 112.11 1a0u h THR 41 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 1a0u h THR 41 Cb 0.41 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.70 1a0u h THR 41 CO 0.01 0.00 -0.46 -1.22 -0.25 0.00 0.00 175.52 173.61 1a0u n TYR 42 N -2.91 0.00 -2.58 4.73 4.01 -1.08 -4.26 117.16 115.07 1a0u n TYR 42 Ca -0.03 0.00 -0.19 0.00 -0.16 0.00 0.00 57.90 57.52 1a0u n TYR 42 Cb 0.10 -0.19 0.01 0.00 -0.31 0.00 0.00 39.34 38.94 1a0u n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1a0u n PHE 43 N -1.23 2.44 0.29 -0.72 3.01 -0.11 -4.83 117.46 116.31 1a0u n PHE 43 Ca 0.07 -3.01 0.17 0.00 1.01 0.00 0.00 57.45 55.69 1a0u n PHE 43 Cb 0.34 -0.22 0.88 0.00 -0.01 0.00 0.00 39.48 40.47 1a0u n PHE 43 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1a0u h PRO 44 N 2.77 0.00 -0.01 -1.08 0.13 -1.74 -2.04 132.00 130.03 1a0u h PRO 44 Ca 0.13 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.26 1a0u h PRO 44 Cb 1.02 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.15 1a0u h PRO 44 CO 0.70 0.05 -0.07 -2.39 -0.23 0.00 0.00 178.00 176.06 1a0u n HIS 45 N -3.34 0.00 -3.92 1.56 1.44 -1.26 -4.91 115.22 104.79 1a0u n HIS 45 Ca -0.02 0.00 -0.30 0.00 -2.01 0.00 0.00 57.72 55.40 1a0u n HIS 45 Cb 0.20 -0.03 -0.04 0.00 0.12 0.00 0.00 29.99 30.24 1a0u n HIS 45 CO 0.00 0.00 0.00 -0.06 -2.81 0.00 0.00 176.34 173.47 1a0u s PHE 46 N -2.14 3.51 -0.44 -1.40 0.40 -0.77 -5.06 117.98 112.09 1a0u s PHE 46 Ca 0.34 0.22 -0.24 0.00 -0.60 0.00 0.00 56.93 56.66 1a0u s PHE 46 Cb 0.21 -1.74 0.02 0.00 0.51 0.00 0.00 43.02 42.02 1a0u s PHE 46 CO 0.39 0.56 0.81 0.34 0.70 0.00 0.00 175.22 178.02 1a0u s ASP 47 N -2.73 6.45 -0.21 1.36 2.15 -1.26 -4.90 116.67 117.53 1a0u s ASP 47 Ca 0.35 0.01 0.13 0.00 0.43 0.00 0.00 52.55 53.47 1a0u s ASP 47 Cb -0.12 -2.40 0.74 0.00 -0.30 0.00 0.00 42.92 40.84 1a0u s ASP 47 CO 0.28 -0.91 1.63 0.18 -0.17 0.00 0.00 175.17 176.18 1a0u n LEU 48 N 6.75 5.26 -4.79 -1.34 4.77 -1.26 -4.50 117.00 121.88 1a0u n LEU 48 Ca 0.03 -2.67 -0.32 0.00 -0.03 0.00 0.00 56.01 53.02 1a0u n LEU 48 Cb 0.48 -0.67 0.04 0.00 -2.33 0.00 0.00 43.42 40.95 1a0u n LEU 48 CO 0.59 0.60 0.72 -0.94 -1.33 0.00 0.00 177.39 177.03 1a0u s SER 49 N -0.71 5.33 -0.09 -1.43 1.04 -1.26 -4.90 113.70 111.68 1a0u s SER 49 Ca 0.49 1.86 -0.33 0.00 0.48 0.00 0.00 55.95 58.45 1a0u s SER 49 Cb 0.37 -2.53 -0.10 0.00 0.10 0.00 0.00 66.02 63.86 1a0u s SER 49 CO 0.15 -1.48 1.96 1.57 0.98 0.00 0.00 173.24 176.43 1a0u n HIS 50 N -2.49 2.29 -0.79 5.02 -0.00 -1.26 -0.61 115.22 117.37 1a0u n HIS 50 Ca 0.09 -0.09 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1a0u n HIS 50 Cb 0.53 -2.70 0.00 0.00 -0.12 0.00 0.00 29.99 27.70 1a0u n HIS 50 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1a0u n GLY 51 N 4.74 0.58 3.74 1.57 0.00 -1.26 -5.01 105.19 109.56 1a0u n GLY 51 Ca 0.24 -0.78 -0.42 0.00 0.00 0.00 0.00 46.02 45.07 1a0u n GLY 51 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1a0u s SER 52 N -2.72 6.41 0.33 1.61 0.15 0.22 -4.87 113.70 114.83 1a0u s SER 52 Ca 0.00 2.89 0.12 0.00 0.70 0.00 0.00 55.95 59.66 1a0u s SER 52 Cb 0.00 -2.62 0.56 0.00 -1.71 0.00 0.00 66.02 62.25 1a0u s SER 52 CO 0.00 -0.90 1.73 0.00 1.20 0.00 0.00 173.24 175.27 1a0u h ALA 53 N 5.33 1.18 -0.41 5.45 0.00 -1.89 -1.94 119.26 126.98 1a0u h ALA 53 Ca -0.46 -0.44 -0.04 0.00 0.00 0.00 0.00 54.91 53.97 1a0u h ALA 53 Cb 1.22 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 1a0u h ALA 53 CO 0.83 0.60 0.10 1.96 0.00 0.00 0.00 179.25 182.74 1a0u h GLN 54 N 0.00 0.64 -0.51 0.00 4.20 -1.89 0.15 115.11 117.70 1a0u h GLN 54 Ca -0.00 -0.15 -0.06 0.00 0.06 0.00 0.00 58.65 58.50 1a0u h GLN 54 Cb 0.87 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.54 1a0u h GLN 54 CO 0.06 0.66 0.11 0.28 -0.67 0.00 0.00 178.83 179.27 1a0u h VAL 55 N 0.51 1.25 -0.07 -0.54 2.07 -1.73 0.12 116.25 117.86 1a0u h VAL 55 Ca 0.13 -0.89 0.03 0.00 0.82 0.00 0.00 66.70 66.78 1a0u h VAL 55 Cb 0.30 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 1a0u h VAL 55 CO 0.00 0.32 -0.09 0.11 0.02 0.00 0.00 177.57 177.93 1a0u h LYS 56 N 0.72 -0.13 -0.88 1.57 1.79 -1.15 0.55 116.57 119.05 1a0u h LYS 56 Ca 0.16 0.01 -0.02 0.00 -2.18 0.00 0.00 60.65 58.62 1a0u h LYS 56 Cb 0.37 0.03 -0.04 0.00 -1.58 0.00 0.00 32.23 31.00 1a0u h LYS 56 CO 0.01 -0.08 0.49 0.78 -1.08 0.00 0.00 179.45 179.56 1a0u h GLY 57 N -0.13 1.31 1.28 3.86 0.00 -0.49 -2.10 103.07 106.79 1a0u h GLY 57 Ca 0.06 -0.59 -0.23 0.00 0.00 0.00 0.00 47.33 46.57 1a0u h GLY 57 CO -0.14 0.57 -0.84 0.84 0.00 0.00 0.00 176.54 176.96 1a0u h HIS 58 N 1.23 0.96 -1.00 5.60 -0.00 -0.28 -2.81 115.15 118.86 1a0u h HIS 58 Ca 0.31 -0.45 0.08 0.00 -0.00 0.00 0.00 60.37 60.31 1a0u h HIS 58 Cb 0.02 -0.14 -0.07 0.00 -0.00 0.00 0.00 27.41 27.22 1a0u h HIS 58 CO 0.01 1.27 0.64 0.78 -0.00 0.00 0.00 177.93 180.63 1a0u h GLY 59 N 0.69 1.55 0.91 5.26 0.00 0.44 -1.26 103.07 110.66 1a0u h GLY 59 Ca -0.07 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 46.78 1a0u h GLY 59 CO 0.17 0.29 0.10 1.70 0.00 0.00 0.00 176.54 178.79 1a0u h LYS 60 N 1.12 0.53 -0.35 4.80 3.64 -1.35 -1.09 116.57 123.86 1a0u h LYS 60 Ca 0.45 -0.12 0.03 0.00 -1.27 0.00 0.00 60.65 59.75 1a0u h LYS 60 Cb 0.25 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.96 1a0u h LYS 60 CO -0.20 0.56 0.15 0.87 -2.27 0.00 0.00 179.45 178.56 1a0u h LYS 61 N 0.39 0.31 -0.48 1.90 1.57 -1.05 0.28 116.57 119.49 1a0u h LYS 61 Ca 0.11 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 1a0u h LYS 61 Cb 0.26 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.48 1a0u h LYS 61 CO -0.00 0.21 0.20 0.28 -0.57 0.00 0.00 179.45 179.57 1a0u h VAL 62 N 0.32 1.20 -0.51 0.50 2.07 -1.14 -2.11 116.25 116.58 1a0u h VAL 62 Ca 0.16 -0.61 -0.01 0.00 0.82 0.00 0.00 66.70 67.06 1a0u h VAL 62 Cb 0.10 0.72 -0.02 0.00 -1.52 0.00 0.00 31.29 30.56 1a0u h VAL 62 CO -0.13 0.23 0.29 0.00 0.02 0.00 0.00 177.57 177.97 1a0u h ALA 63 N 1.05 0.65 -0.98 1.67 0.00 -0.74 -1.01 119.26 119.90 1a0u h ALA 63 Ca 0.16 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.01 1a0u h ALA 63 Cb 0.17 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.70 1a0u h ALA 63 CO -0.02 0.16 0.64 -0.44 0.00 0.00 0.00 179.25 179.60 1a0u h ASP 64 N 0.68 1.09 -0.55 0.00 3.32 -0.22 0.96 116.42 121.70 1a0u h ASP 64 Ca 0.18 -0.02 -0.10 0.00 0.02 0.00 0.00 57.03 57.11 1a0u h ASP 64 Cb 0.03 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.31 1a0u h ASP 64 CO -0.03 0.76 -0.05 0.00 -1.72 0.00 0.00 179.24 178.20 1a0u h ALA 65 N 1.42 0.74 -0.45 3.45 0.00 -0.70 -0.21 119.26 123.50 1a0u h ALA 65 Ca 0.38 -0.33 -0.06 0.00 0.00 0.00 0.00 54.91 54.90 1a0u h ALA 65 Cb -0.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 1a0u h ALA 65 CO -0.11 0.62 0.03 -0.07 0.00 0.00 0.00 179.25 179.72 1a0u h LEU 66 N 0.88 0.75 -1.19 0.00 3.38 -0.45 -0.88 115.31 117.81 1a0u h LEU 66 Ca 0.15 -0.29 0.03 0.00 0.09 0.00 0.00 57.88 57.86 1a0u h LEU 66 Cb 0.61 -0.20 -0.05 0.00 0.09 0.00 0.00 40.66 41.11 1a0u h LEU 66 CO 0.04 0.86 0.56 0.74 0.09 0.00 0.00 178.44 180.72 1a0u h THR 67 N 0.63 1.15 -0.16 0.22 2.02 -0.65 -0.42 112.91 115.69 1a0u h THR 67 Ca 0.13 -0.37 -0.11 0.00 0.77 0.00 0.00 66.41 66.84 1a0u h THR 67 Cb 0.45 -0.01 -0.01 0.00 -1.74 0.00 0.00 68.15 66.84 1a0u h THR 67 CO 0.02 0.19 -0.38 -1.13 0.37 0.00 0.00 175.52 174.59 1a0u h ASN 68 N 1.07 0.36 0.20 4.18 -1.24 -0.60 -1.77 115.58 117.77 1a0u h ASN 68 Ca 0.33 -0.15 -0.17 0.00 0.71 0.00 0.00 56.30 57.02 1a0u h ASN 68 Cb 0.00 -0.10 -0.01 0.00 0.73 0.00 0.00 38.32 38.95 1a0u h ASN 68 CO -0.09 0.71 -0.66 0.00 -1.29 0.00 0.00 177.43 176.11 1a0u h ALA 69 N 1.31 0.66 -0.41 1.57 0.00 -0.10 -2.60 119.26 119.69 1a0u h ALA 69 Ca 0.03 -0.57 -0.06 0.00 0.00 0.00 0.00 54.91 54.31 1a0u h ALA 69 Cb 0.81 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 1a0u h ALA 69 CO 0.06 0.73 0.02 0.28 0.00 0.00 0.00 179.25 180.34 1a0u h VAL 70 N 0.31 1.26 0.00 0.00 2.07 -0.89 -1.40 116.25 117.59 1a0u h VAL 70 Ca -0.02 -0.98 -0.00 0.00 0.82 0.00 0.00 66.70 66.52 1a0u h VAL 70 Cb 1.21 1.09 -0.00 0.00 -1.52 0.00 0.00 31.29 32.06 1a0u h VAL 70 CO 0.11 0.33 -0.00 0.00 0.02 0.00 0.00 177.57 178.04 1a0u h ALA 71 N 0.90 1.62 -0.57 1.67 0.00 -1.25 -2.72 119.26 118.92 1a0u h ALA 71 Ca 0.12 -0.00 -0.41 0.00 0.00 0.00 0.00 54.91 54.62 1a0u h ALA 71 Cb 0.45 -0.00 -0.37 0.00 0.00 0.00 0.00 17.79 17.87 1a0u h ALA 71 CO 0.02 0.00 -0.85 0.72 0.00 0.00 0.00 179.25 179.13 1a0u n HIS 72 N -3.99 2.02 0.18 0.00 8.25 -0.99 -4.85 115.22 115.85 1a0u n HIS 72 Ca -0.03 -2.06 0.17 0.00 -0.26 0.00 0.00 57.72 55.54 1a0u n HIS 72 Cb 0.08 -0.30 0.68 0.00 1.12 0.00 0.00 29.99 31.57 1a0u n HIS 72 CO 0.00 0.00 0.00 -0.24 0.64 0.00 0.00 176.34 176.74 1a0u h VAL 73 N 2.95 0.15 -0.23 1.59 3.04 -0.93 0.51 116.25 123.33 1a0u h VAL 73 Ca 0.20 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.89 1a0u h VAL 73 Cb 1.44 0.53 0.00 0.00 -2.01 0.00 0.00 31.29 31.25 1a0u h VAL 73 CO 0.53 0.00 0.00 0.47 -1.01 0.00 0.00 177.57 177.56 1a0u n ASP 74 N -3.22 2.80 -2.71 3.17 8.00 -1.26 -4.46 116.55 118.86 1a0u n ASP 74 Ca 0.04 -1.89 -0.04 0.00 0.71 0.00 0.00 54.79 53.61 1a0u n ASP 74 Cb 0.65 -0.14 0.09 0.00 -0.02 0.00 0.00 41.12 41.70 1a0u n ASP 74 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 1a0u n ASP 75 N 1.09 -0.50 -0.21 -2.24 2.03 0.17 -4.99 116.55 111.91 1a0u n ASP 75 Ca 0.17 -2.32 -0.04 0.00 0.52 0.00 0.00 54.79 53.12 1a0u n ASP 75 Cb 0.52 0.35 0.06 0.00 -0.72 0.00 0.00 41.12 41.33 1a0u n ASP 75 CO 0.00 0.00 0.00 0.24 -1.92 0.00 0.00 177.20 175.52 1a0u h MET 76 N 1.93 0.67 -0.94 -0.67 2.86 -1.67 0.25 114.93 117.37 1a0u h MET 76 Ca -0.28 -0.04 0.12 0.00 -2.06 0.00 0.00 59.70 57.44 1a0u h MET 76 Cb 1.27 -0.15 -0.08 0.00 0.06 0.00 0.00 31.60 32.70 1a0u h MET 76 CO 0.03 0.44 0.56 -1.35 1.06 0.00 0.00 176.91 177.66 1a0u h PRO 77 N 0.69 0.86 0.12 -0.22 0.11 -1.94 0.39 132.00 132.01 1a0u h PRO 77 Ca 0.25 -0.05 -0.16 0.00 0.11 0.00 0.00 66.00 66.15 1a0u h PRO 77 Cb 0.07 -0.19 0.02 0.00 0.11 0.00 0.00 31.00 31.00 1a0u h PRO 77 CO -0.12 0.57 -0.69 -0.91 -0.21 0.00 0.00 178.00 176.63 1a0u h ASN 78 N 0.89 0.39 -0.04 -2.05 2.35 -1.87 -2.12 115.58 113.13 1a0u h ASN 78 Ca 0.47 -0.96 0.01 0.00 -0.55 0.00 0.00 56.30 55.27 1a0u h ASN 78 Cb 0.49 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.73 1a0u h ASN 78 CO -0.28 1.33 0.04 0.00 -1.65 0.00 0.00 177.43 176.87 1a0u h ALA 79 N 0.07 1.80 -0.09 -0.83 0.00 0.10 -2.88 119.26 117.42 1a0u h ALA 79 Ca -0.12 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1a0u h ALA 79 Cb 1.54 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.34 1a0u h ALA 79 CO 0.13 -0.06 0.00 1.28 0.00 0.00 0.00 179.25 180.60 1a0u n LEU 80 N -4.16 2.41 -0.34 0.00 4.77 0.13 -4.74 117.00 115.08 1a0u n LEU 80 Ca -0.02 -1.16 0.02 0.00 -0.03 0.00 0.00 56.01 54.82 1a0u n LEU 80 Cb 0.13 -0.05 0.08 0.00 -2.33 0.00 0.00 43.42 41.25 1a0u n LEU 80 CO 0.31 0.47 0.56 -0.24 -1.33 0.00 0.00 177.39 177.16 1a0u n SER 81 N 0.85 -0.46 -0.19 -1.43 2.88 -0.80 -1.22 113.62 113.25 1a0u n SER 81 Ca 0.10 1.56 -0.03 0.00 -1.33 0.00 0.00 58.87 59.17 1a0u n SER 81 Cb 0.39 -0.41 0.07 0.00 -0.75 0.00 0.00 64.21 63.51 1a0u n SER 81 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1a0u h ALA 82 N 1.50 0.74 -0.10 -1.46 0.00 -1.85 -0.84 119.26 117.26 1a0u h ALA 82 Ca 0.37 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 55.16 1a0u h ALA 82 Cb 0.59 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1a0u h ALA 82 CO -0.91 -0.03 -0.56 1.25 0.00 0.00 0.00 179.25 179.00 1a0u h LEU 83 N 0.58 0.33 -0.59 0.00 5.85 -1.54 -1.98 115.31 117.95 1a0u h LEU 83 Ca 0.25 -0.18 -0.07 0.00 0.84 0.00 0.00 57.88 58.73 1a0u h LEU 83 Cb 0.15 -0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.06 1a0u h LEU 83 CO -0.16 0.82 0.10 -1.28 -0.34 0.00 0.00 178.44 177.58 1a0u h SER 84 N 0.23 0.94 -0.21 1.25 0.87 -0.58 -2.06 113.55 113.97 1a0u h SER 84 Ca 0.00 -0.26 -0.05 0.00 -1.23 0.00 0.00 61.79 60.26 1a0u h SER 84 Cb 1.05 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 62.76 1a0u h SER 84 CO 0.09 0.96 -0.05 0.44 -0.53 0.00 0.00 176.83 177.73 1a0u h ASP 85 N 0.88 0.41 -0.43 6.23 3.32 -1.02 -2.09 116.42 123.71 1a0u h ASP 85 Ca 0.18 -0.37 0.02 0.00 0.02 0.00 0.00 57.03 56.88 1a0u h ASP 85 Cb 0.41 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 39.82 1a0u h ASP 85 CO 0.01 0.68 0.25 0.25 -1.72 0.00 0.00 179.24 178.71 1a0u h LEU 86 N 0.13 0.40 -0.29 1.55 5.85 -1.26 -0.42 115.31 121.27 1a0u h LEU 86 Ca 0.05 0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1a0u h LEU 86 Cb 0.50 -0.08 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1a0u h LEU 86 CO 0.02 0.29 -0.16 0.45 -0.34 0.00 0.00 178.44 178.70 1a0u h HIS 87 N 0.50 0.72 -0.45 1.25 3.86 -1.41 0.37 115.15 119.99 1a0u h HIS 87 Ca 0.17 -0.19 -0.11 0.00 -1.16 0.00 0.00 60.37 59.09 1a0u h HIS 87 Cb 0.02 -0.16 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 1a0u h HIS 87 CO -0.07 0.87 -0.14 0.00 0.86 0.00 0.00 177.93 179.44 1a0u h ALA 88 N 0.74 0.62 0.00 2.45 0.00 -1.26 0.41 119.26 122.22 1a0u h ALA 88 Ca 0.06 -0.35 -0.37 0.00 0.00 0.00 0.00 54.91 54.25 1a0u h ALA 88 Cb 0.69 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.25 1a0u h ALA 88 CO 0.05 0.55 -2.40 0.72 0.00 0.00 0.00 179.25 178.17 1a0u n HIS 89 N -4.23 0.00 -0.02 0.00 8.25 -0.18 -4.56 115.22 114.48 1a0u n HIS 89 Ca -0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.42 1a0u n HIS 89 Cb 0.40 -0.99 -0.01 0.00 1.12 0.00 0.00 29.99 30.51 1a0u n HIS 89 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1a0u n LYS 90 N -2.84 0.22 -0.16 -0.41 4.81 -0.02 -4.79 118.16 114.96 1a0u n LYS 90 Ca -0.35 0.09 -0.09 0.00 -0.87 0.00 0.00 58.31 57.09 1a0u n LYS 90 Cb 1.12 -0.83 0.00 0.00 0.02 0.00 0.00 35.03 35.35 1a0u n LYS 90 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1a0u h LEU 91 N -0.41 0.68 -1.80 3.14 3.38 -1.30 -3.47 115.31 115.53 1a0u h LEU 91 Ca 0.00 -0.20 -0.51 0.00 0.09 0.00 0.00 57.88 57.27 1a0u h LEU 91 Cb 0.41 -0.18 -0.07 0.00 0.09 0.00 0.00 40.66 40.91 1a0u h LEU 91 CO 0.00 0.69 -0.88 0.54 0.09 0.00 0.00 178.44 178.89 1a0u n ARG 92 N -4.54 -3.33 -2.23 1.13 1.74 0.14 -4.91 116.66 104.67 1a0u n ARG 92 Ca 0.01 0.40 -0.42 0.00 -0.77 0.00 0.00 57.85 57.08 1a0u n ARG 92 Cb 0.18 -4.61 -0.03 0.00 -1.02 0.00 0.00 32.46 26.98 1a0u n ARG 92 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1a0u s VAL 93 N -3.88 3.36 0.30 1.55 1.01 -1.26 -4.96 120.40 116.52 1a0u s VAL 93 Ca 0.10 1.04 -0.29 0.00 0.00 0.00 0.00 61.98 62.82 1a0u s VAL 93 Cb -0.05 -3.66 -0.11 0.00 0.00 0.00 0.00 36.38 32.56 1a0u s VAL 93 CO 0.89 0.11 1.48 -0.62 0.00 0.00 0.00 175.10 176.97 1a0u s ASP 94 N 0.74 6.52 0.42 3.32 -1.08 -1.26 -4.87 116.67 120.46 1a0u s ASP 94 Ca 0.60 2.83 0.22 0.00 -0.52 0.00 0.00 52.55 55.68 1a0u s ASP 94 Cb -0.36 -2.64 1.20 0.00 -1.46 0.00 0.00 42.92 39.67 1a0u s ASP 94 CO 0.34 -0.78 1.75 -0.65 0.52 0.00 0.00 175.17 176.34 1a0u h PRO 95 N 4.41 0.29 0.00 4.34 0.11 -2.00 -1.57 132.00 137.58 1a0u h PRO 95 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.61 1a0u h PRO 95 Cb 1.22 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.27 1a0u h PRO 95 CO 0.74 0.19 -0.04 -0.39 -0.21 0.00 0.00 178.00 178.30 1a0u h VAL 96 N 0.30 0.49 0.00 3.15 -1.51 -2.04 -2.51 116.25 114.14 1a0u h VAL 96 Ca 0.63 -0.18 -0.01 0.00 -1.23 0.00 0.00 66.70 65.92 1a0u h VAL 96 Cb 1.77 1.12 -0.00 0.00 -2.13 0.00 0.00 31.29 32.04 1a0u h VAL 96 CO -0.29 0.04 -0.04 0.78 -1.23 0.00 0.00 177.57 176.83 1a0u h ASN 97 N 0.00 0.00 -0.54 4.19 4.21 -1.65 -3.06 115.58 118.72 1a0u h ASN 97 Ca -0.00 0.00 -0.08 0.00 1.21 0.00 0.00 56.30 57.43 1a0u h ASN 97 Cb 0.11 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.29 1a0u h ASN 97 CO 0.00 0.04 0.02 -0.26 -1.29 0.00 0.00 177.43 175.94 1a0u h PHE 98 N 0.00 1.03 -0.00 1.19 -1.00 -1.63 -2.47 116.94 114.05 1a0u h PHE 98 Ca -0.00 -0.17 -0.05 0.00 2.81 0.00 0.00 57.97 60.56 1a0u h PHE 98 Cb 0.51 -0.27 -0.01 0.00 3.61 0.00 0.00 35.95 39.79 1a0u h PHE 98 CO 0.00 0.93 -0.22 1.57 -1.61 0.00 0.00 178.31 178.98 1a0u h LYS 99 N 0.83 0.01 -0.19 1.51 5.09 -1.70 -0.02 116.57 122.08 1a0u h LYS 99 Ca 0.16 -0.00 -0.15 0.00 0.09 0.00 0.00 60.65 60.75 1a0u h LYS 99 Cb 0.51 -0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.84 1a0u h LYS 99 CO 0.02 0.22 -0.46 -0.07 -2.09 0.00 0.00 179.45 177.08 1a0u h LEU 100 N 0.00 0.74 -0.14 7.07 3.38 -1.55 -2.11 115.31 122.71 1a0u h LEU 100 Ca -0.00 -0.57 -0.10 0.00 0.09 0.00 0.00 57.88 57.30 1a0u h LEU 100 Cb 0.39 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 40.93 1a0u h LEU 100 CO 0.03 1.17 -0.32 0.25 0.09 0.00 0.00 178.44 179.67 1a0u h LEU 101 N 0.34 0.51 -0.52 1.67 5.85 -1.09 -2.59 115.31 119.49 1a0u h LEU 101 Ca -0.00 -0.57 0.10 0.00 0.84 0.00 0.00 57.88 58.25 1a0u h LEU 101 Cb 1.07 -0.15 -0.10 0.00 0.37 0.00 0.00 40.66 41.85 1a0u h LEU 101 CO 0.10 0.99 -0.14 0.28 -0.34 0.00 0.00 178.44 179.34 1a0u h SER 102 N 0.06 -0.50 -0.26 1.25 0.02 -1.02 0.73 113.55 113.83 1a0u h SER 102 Ca -0.00 0.16 0.04 0.00 -0.84 0.00 0.00 61.79 61.15 1a0u h SER 102 Cb 0.92 0.33 -0.04 0.00 0.14 0.00 0.00 62.40 63.75 1a0u h SER 102 CO 0.07 -0.18 -0.01 -0.74 -1.14 0.00 0.00 176.83 174.83 1a0u h HIS 103 N -0.01 -0.03 0.00 3.45 -0.00 -1.35 -0.82 115.15 116.40 1a0u h HIS 103 Ca 0.25 0.02 -0.02 0.00 -0.00 0.00 0.00 60.37 60.62 1a0u h HIS 103 Cb 0.39 0.05 -0.00 0.00 -0.00 0.00 0.00 27.41 27.85 1a0u h HIS 103 CO -0.45 -0.05 -0.11 0.00 -0.00 0.00 0.00 177.93 177.32 1a0u h LEU 105 N 0.00 0.65 -0.70 0.00 5.85 0.11 -2.39 115.31 118.83 1a0u h LEU 105 Ca -0.00 -0.61 -0.04 0.00 0.84 0.00 0.00 57.88 58.07 1a0u h LEU 105 Cb 0.45 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.26 1a0u h LEU 105 CO 0.01 1.14 0.27 -0.07 -0.34 0.00 0.00 178.44 179.46 1a0u h LEU 106 N 0.19 0.98 -0.25 2.25 3.38 -0.73 -1.72 115.31 119.41 1a0u h LEU 106 Ca -0.02 -0.18 -0.01 0.00 0.09 0.00 0.00 57.88 57.76 1a0u h LEU 106 Cb 1.09 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.58 1a0u h LEU 106 CO 0.10 0.90 0.10 0.58 0.09 0.00 0.00 178.44 180.21 1a0u h VAL 107 N 1.01 1.17 -0.21 1.22 2.07 -1.36 -1.70 116.25 118.45 1a0u h VAL 107 Ca 0.23 -0.51 0.00 0.00 0.82 0.00 0.00 66.70 67.25 1a0u h VAL 107 Cb 0.23 1.03 -0.01 0.00 -1.52 0.00 0.00 31.29 31.02 1a0u h VAL 107 CO -0.02 0.17 0.14 0.74 0.02 0.00 0.00 177.57 178.62 1a0u h THR 108 N 0.26 1.05 -0.30 2.57 2.02 -1.18 -1.14 112.91 116.18 1a0u h THR 108 Ca 0.09 -0.10 -0.01 0.00 0.77 0.00 0.00 66.41 67.16 1a0u h THR 108 Cb 0.17 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.31 1a0u h THR 108 CO -0.01 0.05 0.15 -0.07 0.37 0.00 0.00 175.52 176.02 1a0u h LEU 109 N 0.28 0.39 -0.56 2.58 3.38 -1.30 -2.16 115.31 117.93 1a0u h LEU 109 Ca 0.08 -0.11 0.09 0.00 0.09 0.00 0.00 57.88 58.02 1a0u h LEU 109 Cb -0.03 -0.10 -0.07 0.00 0.09 0.00 0.00 40.66 40.55 1a0u h LEU 109 CO -0.02 0.39 0.18 0.00 0.09 0.00 0.00 178.44 179.09 1a0u h ALA 110 N 1.01 0.69 0.00 1.53 0.00 -1.17 0.47 119.26 121.80 1a0u h ALA 110 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1a0u h ALA 110 Cb 0.10 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1a0u h ALA 110 CO -0.01 -0.23 0.00 0.00 0.00 0.00 0.00 179.25 179.01 1a0u h ALA 111 N 1.40 1.00 0.00 0.00 0.00 -0.97 -3.30 119.26 117.39 1a0u h ALA 111 Ca 0.28 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 55.12 1a0u h ALA 111 Cb 0.35 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.12 1a0u h ALA 111 CO -0.30 0.00 -1.51 0.72 0.00 0.00 0.00 179.25 178.16 1a0u n HIS 112 N -3.03 0.00 -3.18 0.00 -0.00 -0.38 -4.81 115.22 103.83 1a0u n HIS 112 Ca 0.00 0.00 -0.26 0.00 -0.00 0.00 0.00 57.72 57.47 1a0u n HIS 112 Cb 0.29 -0.31 -0.06 0.00 -0.00 0.00 0.00 29.99 29.91 1a0u n HIS 112 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 1a0u n LEU 113 N -2.04 3.43 -0.38 2.41 4.77 0.15 -4.94 117.00 120.40 1a0u n LEU 113 Ca -0.07 -5.43 -0.00 0.00 -0.03 0.00 0.00 56.01 50.48 1a0u n LEU 113 Cb 0.48 -0.36 0.13 0.00 -2.33 0.00 0.00 43.42 41.34 1a0u n LEU 113 CO 0.20 2.20 1.29 1.55 -1.33 0.00 0.00 177.39 181.30 1a0u h PRO 114 N 3.57 1.26 -0.24 3.23 0.13 -1.80 0.25 132.00 138.40 1a0u h PRO 114 Ca 0.15 -0.08 -0.16 0.00 -0.87 0.00 0.00 66.00 65.04 1a0u h PRO 114 Cb 0.65 -0.28 -0.01 0.00 0.13 0.00 0.00 31.00 31.49 1a0u h PRO 114 CO 0.76 0.83 -0.50 0.00 -0.23 0.00 0.00 178.00 178.87 1a0u h ALA 115 N 1.40 0.68 0.00 -0.56 0.00 -1.93 -3.25 119.26 115.60 1a0u h ALA 115 Ca 0.39 -0.49 -0.15 0.00 0.00 0.00 0.00 54.91 54.66 1a0u h ALA 115 Cb -0.04 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.63 1a0u h ALA 115 CO -0.11 0.68 -1.13 1.05 0.00 0.00 0.00 179.25 179.73 1a0u h GLU 116 N 0.52 0.00 -3.56 0.00 9.09 -1.91 -3.41 114.58 115.32 1a0u h GLU 116 Ca 0.02 0.00 -0.46 0.00 0.05 0.00 0.00 59.36 58.98 1a0u h GLU 116 Cb 1.05 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.17 1a0u h GLU 116 CO 0.10 0.38 2.71 0.34 0.05 0.00 0.00 179.01 182.59 1a0u n PHE 117 N -3.01 1.61 -2.11 2.06 7.35 0.84 -4.71 117.46 119.49 1a0u n PHE 117 Ca -0.06 -2.09 -0.28 0.00 -0.76 0.00 0.00 57.45 54.26 1a0u n PHE 117 Cb 0.82 -1.79 0.04 0.00 0.35 0.00 0.00 39.48 38.90 1a0u n PHE 117 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1a0u s THR 118 N 3.51 3.42 0.24 -2.13 -4.23 -1.26 -4.80 115.64 110.38 1a0u s THR 118 Ca 0.45 0.23 -0.05 0.00 -1.18 0.00 0.00 61.69 61.14 1a0u s THR 118 Cb 0.12 -3.42 0.20 0.00 1.34 0.00 0.00 72.50 70.74 1a0u s THR 118 CO -0.02 -0.50 1.75 -0.65 -0.54 0.00 0.00 174.62 174.67 1a0u h PRO 119 N -0.48 0.52 -0.40 3.99 0.11 -1.99 0.40 132.00 134.16 1a0u h PRO 119 Ca -0.45 -0.03 -0.05 0.00 0.11 0.00 0.00 66.00 65.58 1a0u h PRO 119 Cb 1.26 -0.12 -0.02 0.00 0.11 0.00 0.00 31.00 32.24 1a0u h PRO 119 CO 0.62 0.34 0.06 0.00 -0.21 0.00 0.00 178.00 178.82 1a0u h ALA 120 N 1.50 0.53 -0.34 -0.75 0.00 -1.95 -1.58 119.26 116.67 1a0u h ALA 120 Ca 0.39 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1a0u h ALA 120 Cb 0.51 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 1a0u h ALA 120 CO -0.34 0.25 -0.15 0.28 0.00 0.00 0.00 179.25 179.30 1a0u h VAL 121 N 0.51 1.29 -0.36 0.00 2.07 -1.63 -2.17 116.25 115.96 1a0u h VAL 121 Ca 0.12 -1.25 0.06 0.00 0.82 0.00 0.00 66.70 66.45 1a0u h VAL 121 Cb 0.38 1.38 -0.06 0.00 -1.52 0.00 0.00 31.29 31.48 1a0u h VAL 121 CO 0.01 0.41 0.01 -0.74 0.02 0.00 0.00 177.57 177.28 1a0u h HIS 122 N 0.47 0.00 -0.49 1.57 6.17 -0.14 -0.29 115.15 122.44 1a0u h HIS 122 Ca 0.08 0.03 -0.01 0.00 0.71 0.00 0.00 60.37 61.18 1a0u h HIS 122 Cb 0.68 0.05 -0.02 0.00 2.52 0.00 0.00 27.41 30.64 1a0u h HIS 122 CO 0.06 -0.05 0.28 0.00 0.71 0.00 0.00 177.93 178.93 1a0u h ALA 123 N 1.31 0.63 -0.36 5.26 0.00 -1.19 -1.30 119.26 123.60 1a0u h ALA 123 Ca 0.17 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 1a0u h ALA 123 Cb 0.24 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1a0u h ALA 123 CO -0.28 0.14 0.12 0.77 0.00 0.00 0.00 179.25 180.00 1a0u h SER 124 N 0.66 0.52 -0.49 0.00 0.02 -0.97 -1.49 113.55 111.80 1a0u h SER 124 Ca 0.18 -0.19 -0.07 0.00 -0.84 0.00 0.00 61.79 60.86 1a0u h SER 124 Cb 0.03 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 1a0u h SER 124 CO -0.03 0.58 0.06 -0.07 -1.14 0.00 0.00 176.83 176.22 1a0u h LEU 125 N 0.44 0.84 -0.08 5.07 3.38 -0.99 -0.45 115.31 123.52 1a0u h LEU 125 Ca 0.12 -0.19 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 1a0u h LEU 125 Cb 0.23 -0.22 -0.00 0.00 0.09 0.00 0.00 40.66 40.76 1a0u h LEU 125 CO -0.01 0.87 -0.01 -0.78 0.09 0.00 0.00 178.44 178.60 1a0u h ASP 126 N 0.83 0.15 -0.67 -0.43 3.58 -1.07 -1.22 116.42 117.59 1a0u h ASP 126 Ca 0.17 -0.35 -0.02 0.00 0.42 0.00 0.00 57.03 57.25 1a0u h ASP 126 Cb 0.41 -0.04 -0.03 0.00 1.72 0.00 0.00 39.33 41.39 1a0u h ASP 126 CO 0.01 0.47 0.36 0.11 -2.88 0.00 0.00 179.24 177.31 1a0u h LYS 127 N -0.17 0.96 0.41 0.28 1.57 -1.13 -1.39 116.57 117.10 1a0u h LYS 127 Ca 0.02 -0.11 -0.02 0.00 -1.87 0.00 0.00 60.65 58.67 1a0u h LYS 127 Cb 0.40 -0.19 0.00 0.00 0.08 0.00 0.00 32.23 32.52 1a0u h LYS 127 CO 0.01 0.72 -0.20 0.35 -0.57 0.00 0.00 179.45 179.76 1a0u h PHE 128 N 0.97 -0.52 -0.59 -1.35 3.57 -0.92 -2.22 116.94 115.88 1a0u h PHE 128 Ca 0.24 -0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.76 1a0u h PHE 128 Cb 0.06 0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.93 1a0u h PHE 128 CO 0.01 -0.24 0.39 -0.07 -2.23 0.00 0.00 178.31 176.17 1a0u h LEU 129 N -0.72 0.59 -0.93 0.59 3.38 -1.09 -0.89 115.31 116.24 1a0u h LEU 129 Ca -0.06 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 1a0u h LEU 129 Cb 0.51 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1a0u h LEU 129 CO 0.09 0.41 0.21 0.00 0.09 0.00 0.00 178.44 179.24 1a0u h ALA 130 N 1.66 1.14 -0.24 1.53 0.00 -1.08 -1.81 119.26 120.47 1a0u h ALA 130 Ca 0.24 -0.20 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1a0u h ALA 130 Cb 0.09 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.62 1a0u h ALA 130 CO -0.06 0.60 -0.14 0.77 0.00 0.00 0.00 179.25 180.42 1a0u h SER 131 N 0.96 0.54 -0.08 0.00 0.02 -0.65 -1.56 113.55 112.77 1a0u h SER 131 Ca 0.22 -0.42 0.01 0.00 -0.84 0.00 0.00 61.79 60.76 1a0u h SER 131 Cb 0.26 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1a0u h SER 131 CO -0.01 0.84 -0.00 0.58 -1.14 0.00 0.00 176.83 177.10 1a0u h VAL 132 N 0.23 0.94 -0.50 2.27 2.07 -1.09 -1.64 116.25 118.53 1a0u h VAL 132 Ca 0.05 -0.01 0.07 0.00 0.82 0.00 0.00 66.70 67.64 1a0u h VAL 132 Cb 0.65 0.91 -0.06 0.00 -1.52 0.00 0.00 31.29 31.27 1a0u h VAL 132 CO 0.04 0.00 0.15 0.28 0.02 0.00 0.00 177.57 178.06 1a0u h SER 133 N 0.02 0.12 -0.89 0.57 0.02 -1.30 -1.19 113.55 110.90 1a0u h SER 133 Ca 0.04 0.07 -0.02 0.00 -0.84 0.00 0.00 61.79 61.04 1a0u h SER 133 Cb 0.05 0.07 -0.04 0.00 0.14 0.00 0.00 62.40 62.62 1a0u h SER 133 CO -0.07 0.09 0.46 0.74 -1.14 0.00 0.00 176.83 176.92 1a0u h THR 134 N 0.31 1.26 0.02 -2.27 2.02 -1.08 -2.74 112.91 110.43 1a0u h THR 134 Ca 0.24 -0.68 -0.00 0.00 0.77 0.00 0.00 66.41 66.74 1a0u h THR 134 Cb 0.29 0.08 0.00 0.00 -1.74 0.00 0.00 68.15 66.78 1a0u h THR 134 CO -0.27 0.30 -0.01 0.58 0.37 0.00 0.00 175.52 176.49 1a0u h VAL 135 N 1.25 1.20 0.00 3.16 2.07 -0.52 -1.77 116.25 121.64 1a0u h VAL 135 Ca 0.31 -0.64 0.00 0.00 0.82 0.00 0.00 66.70 67.18 1a0u h VAL 135 Cb 0.06 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.46 1a0u h VAL 135 CO -0.05 0.17 0.00 -0.07 0.02 0.00 0.00 177.57 177.64 1a0u h LEU 136 N -0.30 0.00 -1.04 2.57 3.38 -1.11 -2.36 115.31 116.45 1a0u h LEU 136 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1a0u h LEU 136 Cb 0.29 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1a0u h LEU 136 CO 0.00 0.00 -0.11 0.41 0.09 0.00 0.00 178.44 178.84 1a0u n THR 137 N -2.78 0.00 0.24 0.22 -1.04 -1.04 -4.40 114.28 105.47 1a0u n THR 137 Ca -0.01 -0.45 0.08 0.00 -2.04 0.00 0.00 64.05 61.63 1a0u n THR 137 Cb 0.12 1.16 0.60 0.00 -1.82 0.00 0.00 70.33 70.39 1a0u n THR 137 CO 0.00 0.00 0.00 0.77 -0.64 0.00 0.00 175.07 175.20 1a0u h SER 138 N 1.50 0.00 -0.44 8.00 4.64 -0.75 -3.03 113.55 123.46 1a0u h SER 138 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1a0u h SER 138 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1a0u h SER 138 CO 0.00 0.17 0.00 0.29 -0.87 0.00 0.00 176.83 176.42 1a0u n LYS 139 N -4.00 3.75 -0.04 4.77 5.02 -1.26 -4.65 118.16 121.75 1a0u n LYS 139 Ca -0.02 -2.90 -0.01 0.00 -2.02 0.00 0.00 58.31 53.35 1a0u n LYS 139 Cb 0.25 -1.96 0.26 0.00 -0.02 0.00 0.00 35.03 33.57 1a0u n LYS 139 CO 0.00 0.00 0.00 1.88 -0.52 0.00 0.00 177.40 178.76 1a0u h TYR 140 N 2.98 0.65 0.00 2.13 -1.99 -1.85 -3.46 116.97 115.42 1a0u h TYR 140 Ca 0.00 -0.06 0.00 0.00 2.00 0.00 0.00 58.73 60.67 1a0u h TYR 140 Cb 1.58 -0.19 0.00 0.00 2.00 0.00 0.00 36.73 40.12 1a0u h TYR 140 CO 0.73 0.59 0.00 2.89 -0.00 0.00 0.00 178.16 182.37