#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ouu s LEU 2 N 0.00 4.32 0.82 2.46 1.43 -1.26 -5.05 118.68 121.40 1ouu s LEU 2 Ca 0.00 2.05 -0.06 0.00 -1.03 0.00 0.00 54.13 55.10 1ouu s LEU 2 Cb 0.00 -3.56 0.16 0.00 0.03 0.00 0.00 46.19 42.82 1ouu s LEU 2 CO 0.00 -0.67 1.12 0.42 0.23 0.00 0.00 176.35 177.46 1ouu s THR 3 N 2.17 2.05 0.17 5.49 -4.23 -1.26 -4.89 115.64 115.13 1ouu s THR 3 Ca 0.62 -0.40 -0.14 0.00 -1.18 0.00 0.00 61.69 60.58 1ouu s THR 3 Cb -0.30 -2.65 0.06 0.00 1.34 0.00 0.00 72.50 70.95 1ouu s THR 3 CO 0.26 0.00 1.81 0.00 -0.54 0.00 0.00 174.62 176.15 1ouu h ALA 4 N -0.95 0.66 -0.63 3.99 0.00 -1.99 -0.86 119.26 119.48 1ouu h ALA 4 Ca -0.38 -0.06 -0.06 0.00 0.00 0.00 0.00 54.91 54.41 1ouu h ALA 4 Cb 1.25 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 18.80 1ouu h ALA 4 CO 0.37 0.14 0.16 -0.22 0.00 0.00 0.00 179.25 179.70 1ouu h LYS 5 N 0.70 1.00 -0.96 0.00 3.64 -2.00 -2.06 116.57 116.89 1ouu h LYS 5 Ca 0.19 -0.24 0.05 0.00 -1.27 0.00 0.00 60.65 59.38 1ouu h LYS 5 Cb -0.03 -0.13 -0.06 0.00 -0.41 0.00 0.00 32.23 31.60 1ouu h LYS 5 CO -0.04 0.91 0.62 -0.44 -2.27 0.00 0.00 179.45 178.23 1ouu h ASP 6 N 0.92 1.00 -0.66 4.20 3.32 -1.74 -2.71 116.42 120.75 1ouu h ASP 6 Ca 0.20 0.00 -0.07 0.00 0.02 0.00 0.00 57.03 57.18 1ouu h ASP 6 Cb 0.35 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.66 1ouu h ASP 6 CO 0.00 0.66 0.15 0.11 -1.72 0.00 0.00 179.24 178.45 1ouu h LYS 7 N 1.16 1.06 -0.24 3.56 1.57 -0.94 -2.35 116.57 120.39 1ouu h LYS 7 Ca 0.40 -0.26 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 1ouu h LYS 7 Cb 0.09 -0.14 -0.01 0.00 0.08 0.00 0.00 32.23 32.25 1ouu h LYS 7 CO -0.15 0.95 0.09 0.77 -0.57 0.00 0.00 179.45 180.54 1ouu h SER 8 N 0.99 0.34 -0.50 0.86 0.02 -1.11 -1.65 113.55 112.51 1ouu h SER 8 Ca 0.21 -0.18 -0.09 0.00 -0.84 0.00 0.00 61.79 60.88 1ouu h SER 8 Cb 0.37 -0.09 -0.02 0.00 0.14 0.00 0.00 62.40 62.81 1ouu h SER 8 CO 0.00 0.43 -0.04 0.58 -1.14 0.00 0.00 176.83 176.66 1ouu h VAL 9 N 0.23 1.26 -0.08 2.27 2.07 -1.52 -1.99 116.25 118.50 1ouu h VAL 9 Ca 0.08 -1.15 -0.03 0.00 0.82 0.00 0.00 66.70 66.42 1ouu h VAL 9 Cb 0.20 0.89 -0.00 0.00 -1.52 0.00 0.00 31.29 30.86 1ouu h VAL 9 CO -0.01 0.41 -0.05 0.58 0.02 0.00 0.00 177.57 178.52 1ouu h VAL 10 N 0.86 1.34 -0.95 2.57 2.07 -1.30 -0.38 116.25 120.47 1ouu h VAL 10 Ca 0.15 -1.12 0.07 0.00 0.82 0.00 0.00 66.70 66.63 1ouu h VAL 10 Cb 0.57 1.92 -0.07 0.00 -1.52 0.00 0.00 31.29 32.19 1ouu h VAL 10 CO 0.03 0.31 0.60 0.11 0.02 0.00 0.00 177.57 178.65 1ouu h LYS 11 N -0.22 1.03 -0.12 1.57 1.57 -1.29 0.35 116.57 119.46 1ouu h LYS 11 Ca 0.02 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.64 1ouu h LYS 11 Cb 0.52 -0.23 0.00 0.00 0.08 0.00 0.00 32.23 32.60 1ouu h LYS 11 CO 0.01 0.68 -0.29 0.00 -0.57 0.00 0.00 179.45 179.29 1ouu h ALA 12 N 1.45 0.20 -0.61 3.86 0.00 -1.29 -2.54 119.26 120.32 1ouu h ALA 12 Ca 0.42 -0.41 -0.05 0.00 0.00 0.00 0.00 54.91 54.87 1ouu h ALA 12 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 1ouu h ALA 12 CO -0.19 0.21 0.17 0.35 0.00 0.00 0.00 179.25 179.79 1ouu h PHE 13 N -0.01 0.98 -0.84 0.00 3.57 -0.90 -1.69 116.94 118.05 1ouu h PHE 13 Ca -0.00 -0.09 0.02 0.00 3.53 0.00 0.00 57.97 61.42 1ouu h PHE 13 Cb 0.90 -0.28 -0.04 0.00 2.79 0.00 0.00 35.95 39.31 1ouu h PHE 13 CO 0.11 0.80 0.56 2.35 -2.23 0.00 0.00 178.31 179.89 1ouu h TRP 14 N 0.91 1.05 -0.69 0.41 2.91 -0.30 -2.05 115.95 118.19 1ouu h TRP 14 Ca 0.20 0.03 -0.04 0.00 1.13 0.00 0.00 58.89 60.20 1ouu h TRP 14 Cb 0.30 -0.35 -0.03 0.00 -0.51 0.00 0.00 29.16 28.56 1ouu h TRP 14 CO 0.02 0.64 0.26 0.78 -1.03 0.00 0.00 178.44 179.12 1ouu h GLY 15 N 1.11 1.12 1.77 2.65 0.00 -0.86 0.28 103.07 109.14 1ouu h GLY 15 Ca 0.32 -0.62 -0.17 0.00 0.00 0.00 0.00 47.33 46.86 1ouu h GLY 15 CO -0.08 0.58 -0.72 0.07 0.00 0.00 0.00 176.54 176.40 1ouu h LYS 16 N 0.99 0.23 0.00 4.80 2.10 -1.23 -3.29 116.57 120.16 1ouu h LYS 16 Ca 0.23 -0.19 -0.11 0.00 -2.00 0.00 0.00 60.65 58.58 1ouu h LYS 16 Cb 0.23 0.04 -0.02 0.00 -0.90 0.00 0.00 32.23 31.58 1ouu h LYS 16 CO -0.02 0.85 -0.74 -0.84 -2.00 0.00 0.00 179.45 176.70 1ouu h ILE 17 N 0.15 0.71 -0.35 0.07 3.07 -1.12 -3.39 117.51 116.67 1ouu h ILE 17 Ca -0.02 -2.08 0.03 0.00 1.55 0.00 0.00 64.86 64.34 1ouu h ILE 17 Cb 1.27 2.28 -0.04 0.00 -0.27 0.00 0.00 36.82 40.06 1ouu h ILE 17 CO 0.11 0.41 -0.20 -1.20 -1.05 0.00 0.00 178.15 176.21 1ouu n SER 18 N -3.12 -0.37 -0.29 2.16 7.64 0.98 -1.36 113.62 119.27 1ouu n SER 18 Ca -0.01 0.81 0.11 0.00 1.01 0.00 0.00 58.87 60.79 1ouu n SER 18 Cb 0.75 -0.18 0.26 0.00 -1.01 0.00 0.00 64.21 64.03 1ouu n SER 18 CO 0.00 0.00 0.00 1.23 -3.01 0.00 0.00 175.04 173.26 1ouu h GLY 19 N 0.00 1.29 -0.87 0.23 0.00 -1.80 -0.90 103.07 101.02 1ouu h GLY 19 Ca 0.06 -0.05 0.00 0.00 0.00 0.00 0.00 47.33 47.34 1ouu h GLY 19 CO -0.33 -0.31 0.00 0.28 0.00 0.00 0.00 176.54 176.18 1ouu n LYS 20 N -5.19 1.68 -0.34 4.80 5.02 -0.47 -4.60 118.16 119.06 1ouu n LYS 20 Ca 0.19 -1.04 0.26 0.00 -2.02 0.00 0.00 58.31 55.71 1ouu n LYS 20 Cb 0.62 -1.32 0.51 0.00 -0.02 0.00 0.00 35.03 34.81 1ouu n LYS 20 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1ouu h ALA 21 N 3.82 2.07 -0.46 7.82 0.00 -0.99 0.06 119.26 131.58 1ouu h ALA 21 Ca 0.00 0.19 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ouu h ALA 21 Cb 0.43 0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 1ouu h ALA 21 CO 0.00 -0.71 0.27 -0.44 0.00 0.00 0.00 179.25 178.37 1ouu h ASP 22 N 0.26 0.56 -0.20 0.00 3.32 -1.83 -1.76 116.42 116.76 1ouu h ASP 22 Ca 0.76 -0.07 -0.01 0.00 0.02 0.00 0.00 57.03 57.73 1ouu h ASP 22 Cb 1.84 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 41.24 1ouu h ASP 22 CO -0.60 0.46 0.09 0.58 -1.72 0.00 0.00 179.24 178.05 1ouu h VAL 23 N 0.61 1.14 0.08 -1.35 2.07 -1.37 -2.17 116.25 115.26 1ouu h VAL 23 Ca 0.16 -0.41 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1ouu h VAL 23 Cb 0.01 1.04 -0.02 0.00 -1.52 0.00 0.00 31.29 30.80 1ouu h VAL 23 CO -0.03 0.14 -0.14 0.58 0.02 0.00 0.00 177.57 178.14 1ouu h VAL 24 N 0.19 0.68 0.36 2.57 2.07 -1.25 -2.47 116.25 118.40 1ouu h VAL 24 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 1ouu h VAL 24 Cb 0.13 0.68 -0.03 0.00 -1.52 0.00 0.00 31.29 30.55 1ouu h VAL 24 CO -0.01 0.00 -0.51 1.23 0.02 0.00 0.00 177.57 178.30 1ouu h GLY 25 N -0.27 -1.23 0.45 2.17 0.00 -1.31 0.14 103.07 103.02 1ouu h GLY 25 Ca 0.02 0.61 0.09 0.00 0.00 0.00 0.00 47.33 48.06 1ouu h GLY 25 CO -0.08 -0.34 0.34 0.00 0.00 0.00 0.00 176.54 176.46 1ouu h ALA 26 N -0.79 0.95 -0.21 3.60 0.00 -1.48 -0.92 119.26 120.41 1ouu h ALA 26 Ca -0.04 0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 1ouu h ALA 26 Cb 0.83 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.58 1ouu h ALA 26 CO -0.14 -0.07 -0.56 1.49 0.00 0.00 0.00 179.25 179.96 1ouu h GLU 27 N 0.57 0.66 -0.57 0.00 4.81 -1.26 -2.69 114.58 116.10 1ouu h GLU 27 Ca 0.34 -0.43 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1ouu h GLU 27 Cb 0.37 0.05 -0.02 0.00 0.63 0.00 0.00 28.75 29.79 1ouu h GLU 27 CO -0.28 1.05 0.07 0.00 -0.73 0.00 0.00 179.01 179.12 1ouu h ALA 28 N 0.86 0.76 0.12 2.92 0.00 -0.22 -2.52 119.26 121.20 1ouu h ALA 28 Ca 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.64 1ouu h ALA 28 Cb 1.13 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.71 1ouu h ALA 28 CO 0.11 0.54 -0.06 1.25 0.00 0.00 0.00 179.25 181.09 1ouu h LEU 29 N 0.86 -0.14 -1.28 0.00 5.85 -1.23 -2.56 115.31 116.81 1ouu h LEU 29 Ca 0.17 -0.28 0.20 0.00 0.84 0.00 0.00 57.88 58.81 1ouu h LEU 29 Cb 0.45 0.04 -0.09 0.00 0.37 0.00 0.00 40.66 41.43 1ouu h LEU 29 CO 0.02 0.22 0.61 1.23 -0.34 0.00 0.00 178.44 180.18 1ouu h GLY 30 N -0.52 1.29 1.41 3.75 0.00 -1.48 0.11 103.07 107.62 1ouu h GLY 30 Ca -0.02 -0.27 -0.18 0.00 0.00 0.00 0.00 47.33 46.87 1ouu h GLY 30 CO 0.03 -0.03 -0.62 3.21 0.00 0.00 0.00 176.54 179.12 1ouu h ARG 31 N 0.57 0.60 0.20 4.80 3.08 -1.45 -1.67 114.38 120.51 1ouu h ARG 31 Ca 0.52 -0.42 -0.01 0.00 0.07 0.00 0.00 59.98 60.15 1ouu h ARG 31 Cb 1.07 0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1ouu h ARG 31 CO -0.27 1.04 -0.09 1.98 -1.07 0.00 0.00 179.97 181.55 1ouu h MET 32 N 0.44 -0.25 -0.63 0.04 4.05 -0.37 0.17 114.93 118.38 1ouu h MET 32 Ca -0.01 0.02 -0.03 0.00 -0.28 0.00 0.00 59.70 59.39 1ouu h MET 32 Cb 1.20 0.06 -0.03 0.00 -0.80 0.00 0.00 31.60 32.02 1ouu h MET 32 CO 0.12 -0.10 0.26 -0.07 0.23 0.00 0.00 176.91 177.35 1ouu h LEU 33 N -0.35 0.84 -0.01 3.39 3.38 -1.47 0.22 115.31 121.31 1ouu h LEU 33 Ca -0.03 -0.11 -0.17 0.00 0.09 0.00 0.00 57.88 57.67 1ouu h LEU 33 Cb 0.27 -0.22 0.01 0.00 0.09 0.00 0.00 40.66 40.82 1ouu h LEU 33 CO 0.04 0.75 -0.64 0.74 0.09 0.00 0.00 178.44 179.42 1ouu h THR 34 N 0.91 1.41 0.00 0.22 2.02 -1.13 -3.33 112.91 113.00 1ouu h THR 34 Ca 0.21 -2.09 0.00 0.00 0.77 0.00 0.00 66.41 65.31 1ouu h THR 34 Cb 0.17 2.55 0.00 0.00 -1.74 0.00 0.00 68.15 69.14 1ouu h THR 34 CO -0.02 0.61 -1.17 0.00 0.37 0.00 0.00 175.52 175.31 1ouu n ALA 35 N -2.59 4.10 -3.54 6.16 0.00 0.59 -4.63 120.51 120.59 1ouu n ALA 35 Ca -0.10 -0.54 -0.27 0.00 0.00 0.00 0.00 53.44 52.53 1ouu n ALA 35 Cb 0.69 -0.82 -0.10 0.00 0.00 0.00 0.00 19.45 19.22 1ouu n ALA 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ouu n TYR 36 N -1.72 1.08 0.52 0.00 4.01 0.75 -5.01 117.16 116.79 1ouu n TYR 36 Ca 0.02 -3.78 0.07 0.00 -0.16 0.00 0.00 57.90 54.05 1ouu n TYR 36 Cb 0.39 -0.21 0.31 0.00 -0.31 0.00 0.00 39.34 39.52 1ouu n TYR 36 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 1ouu n PRO 37 N 2.13 0.04 0.27 -0.72 -0.04 -1.25 -2.77 135.00 132.66 1ouu n PRO 37 Ca 0.25 0.24 0.16 0.00 -0.04 0.00 0.00 63.50 64.12 1ouu n PRO 37 Cb 0.43 -1.50 0.64 0.00 -0.04 0.00 0.00 33.50 33.03 1ouu n PRO 37 CO 0.00 0.00 0.00 -0.56 -0.04 0.00 0.00 175.50 174.90 1ouu h GLN 38 N 0.00 0.00 0.00 0.54 3.07 -1.91 -2.24 115.11 114.57 1ouu h GLN 38 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.74 1ouu h GLN 38 Cb 0.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.78 1ouu h GLN 38 CO 0.00 0.02 0.00 1.79 0.09 0.00 0.00 178.83 180.73 1ouu h THR 39 N 0.00 0.00 0.00 1.86 1.35 -1.86 -3.33 112.91 110.93 1ouu h THR 39 Ca -0.00 -0.69 -0.01 0.00 -0.55 0.00 0.00 66.41 65.15 1ouu h THR 39 Cb 0.56 1.68 -0.00 0.00 -1.73 0.00 0.00 68.15 68.66 1ouu h THR 39 CO 0.00 0.00 -0.06 0.11 -0.25 0.00 0.00 175.52 175.32 1ouu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.60 -2.89 116.57 118.36 1ouu h LYS 40 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1ouu h LYS 40 Cb 0.83 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 33.14 1ouu h LYS 40 CO 0.00 0.06 -0.04 1.79 -0.57 0.00 0.00 179.45 180.69 1ouu h THR 41 N 0.00 0.71 0.00 -0.16 1.35 -1.78 -2.54 112.91 110.49 1ouu h THR 41 Ca -0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 1ouu h THR 41 Cb 0.15 1.09 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 1ouu h THR 41 CO 0.01 0.04 0.00 -1.22 -0.25 0.00 0.00 175.52 174.10 1ouu n TYR 42 N -4.03 0.83 -1.51 4.73 4.01 -1.09 -3.84 117.16 116.26 1ouu n TYR 42 Ca -0.03 0.24 0.07 0.00 -0.16 0.00 0.00 57.90 58.02 1ouu n TYR 42 Cb 0.13 -0.90 0.20 0.00 -0.31 0.00 0.00 39.34 38.46 1ouu n TYR 42 CO 0.00 0.00 0.00 1.19 -0.46 0.00 0.00 176.86 177.59 1ouu n PHE 43 N -2.18 0.00 0.33 -0.72 3.72 -0.96 -4.79 117.46 112.86 1ouu n PHE 43 Ca 0.06 -1.41 0.12 0.00 -0.05 0.00 0.00 57.45 56.17 1ouu n PHE 43 Cb 0.41 -0.23 0.55 0.00 -0.94 0.00 0.00 39.48 39.27 1ouu n PHE 43 CO 0.00 0.00 0.00 0.77 -0.05 0.00 0.00 176.76 177.48 1ouu h SER 44 N 0.82 0.00 -0.16 4.37 0.02 -1.66 -2.66 113.55 114.28 1ouu h SER 44 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1ouu h SER 44 Cb 1.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.54 1ouu h SER 44 CO 0.00 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.69 1ouu n HIS 45 N -2.34 0.21 -3.64 3.45 1.44 -1.26 -4.88 115.22 108.19 1ouu n HIS 45 Ca 0.01 -0.10 -0.30 0.00 -2.01 0.00 0.00 57.72 55.32 1ouu n HIS 45 Cb 0.19 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.25 1ouu n HIS 45 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 1ouu s TRP 46 N -1.79 3.47 0.13 -1.40 0.51 -1.00 -5.03 118.94 113.83 1ouu s TRP 46 Ca 0.30 0.52 -0.09 0.00 -2.12 0.00 0.00 56.10 54.71 1ouu s TRP 46 Cb 0.16 -1.98 -0.07 0.00 -0.81 0.00 0.00 33.47 30.77 1ouu s TRP 46 CO 0.24 0.39 1.37 0.00 -0.51 0.00 0.00 176.95 178.44 1ouu h ALA 47 N 2.49 0.44 -3.83 0.98 0.00 -1.90 -3.45 119.26 113.99 1ouu h ALA 47 Ca -0.47 -0.58 -0.31 0.00 0.00 0.00 0.00 54.91 53.56 1ouu h ALA 47 Cb 1.17 -0.04 -0.29 0.00 0.00 0.00 0.00 17.79 18.63 1ouu h ALA 47 CO 0.71 0.70 -0.75 0.34 0.00 0.00 0.00 179.25 180.25 1ouu s ASP 48 N -7.04 0.47 -0.06 0.00 -1.08 -1.26 -5.02 116.67 102.68 1ouu s ASP 48 Ca -0.09 -0.07 0.09 0.00 -0.52 0.00 0.00 52.55 51.96 1ouu s ASP 48 Cb 0.10 -0.07 0.14 0.00 -1.46 0.00 0.00 42.92 41.62 1ouu s ASP 48 CO 0.88 0.04 1.06 0.18 0.52 0.00 0.00 175.17 177.84 1ouu n LEU 49 N 3.09 2.02 -4.76 -1.34 4.77 -1.26 -4.47 117.00 115.04 1ouu n LEU 49 Ca -0.14 -2.42 -0.39 0.00 -0.03 0.00 0.00 56.01 53.03 1ouu n LEU 49 Cb 0.58 -0.21 -0.06 0.00 -2.33 0.00 0.00 43.42 41.40 1ouu n LEU 49 CO 0.25 0.57 0.67 -0.94 -1.33 0.00 0.00 177.39 176.62 1ouu s SER 50 N -1.89 7.50 0.12 -1.43 1.04 -1.26 -4.81 113.70 112.98 1ouu s SER 50 Ca 0.16 1.97 -0.35 0.00 0.48 0.00 0.00 55.95 58.21 1ouu s SER 50 Cb 0.14 -2.61 -0.16 0.00 0.10 0.00 0.00 66.02 63.49 1ouu s SER 50 CO 0.01 0.05 1.36 -2.65 0.98 0.00 0.00 173.24 172.99 1ouu n PRO 51 N 1.20 1.40 -0.94 4.02 -0.02 -1.26 -0.40 135.00 139.00 1ouu n PRO 51 Ca -0.01 0.50 0.00 0.00 -2.02 0.00 0.00 63.50 61.98 1ouu n PRO 51 Cb 0.47 -2.15 0.00 0.00 -0.02 0.00 0.00 33.50 31.81 1ouu n PRO 51 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ouu n GLY 52 N 2.59 0.66 3.81 -1.23 0.00 -1.26 -5.03 105.19 104.73 1ouu n GLY 52 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.88 1ouu n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ouu s SER 53 N -2.29 5.30 0.17 1.61 1.04 0.47 -4.73 113.70 115.27 1ouu s SER 53 Ca 0.00 1.68 -0.15 0.00 0.48 0.00 0.00 55.95 57.97 1ouu s SER 53 Cb 0.00 -2.51 0.14 0.00 0.10 0.00 0.00 66.02 63.75 1ouu s SER 53 CO 0.00 -1.50 1.70 1.23 0.98 0.00 0.00 173.24 175.65 1ouu h GLY 54 N -0.60 0.45 1.64 7.32 0.00 -1.89 1.34 103.07 111.32 1ouu h GLY 54 Ca -0.44 0.04 -0.15 0.00 0.00 0.00 0.00 47.33 46.78 1ouu h GLY 54 CO 0.56 -0.10 -0.58 -0.56 0.00 0.00 0.00 176.54 175.86 1ouu h PRO 55 N 0.13 0.38 0.25 4.80 0.13 -1.93 -1.50 132.00 134.25 1ouu h PRO 55 Ca 0.22 -0.25 -0.01 0.00 -0.87 0.00 0.00 66.00 65.09 1ouu h PRO 55 Cb 0.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 31.47 1ouu h PRO 55 CO -0.34 0.85 -0.12 0.28 -0.23 0.00 0.00 178.00 178.43 1ouu h VAL 56 N 0.28 0.77 -0.39 1.56 2.07 -1.51 -0.68 116.25 118.35 1ouu h VAL 56 Ca -0.00 -0.78 0.04 0.00 0.82 0.00 0.00 66.70 66.78 1ouu h VAL 56 Cb 1.09 1.17 -0.06 0.00 -1.52 0.00 0.00 31.29 31.97 1ouu h VAL 56 CO 0.10 0.15 -0.38 0.11 0.02 0.00 0.00 177.57 177.57 1ouu h LYS 57 N -0.78 -0.19 -0.89 1.57 1.57 0.17 -0.05 116.57 117.99 1ouu h LYS 57 Ca -0.03 0.01 0.07 0.00 -1.87 0.00 0.00 60.65 58.82 1ouu h LYS 57 Cb 0.50 0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.79 1ouu h LYS 57 CO 0.06 -0.12 0.56 -0.22 -0.57 0.00 0.00 179.45 179.15 1ouu h LYS 58 N -0.19 0.98 -0.04 3.15 3.11 -1.32 -1.99 116.57 120.25 1ouu h LYS 58 Ca 0.07 -0.06 -0.14 0.00 -2.81 0.00 0.00 60.65 57.71 1ouu h LYS 58 Cb 0.37 -0.22 -0.01 0.00 -1.00 0.00 0.00 32.23 31.36 1ouu h LYS 58 CO -0.47 0.65 -0.61 1.25 -2.81 0.00 0.00 179.45 177.46 1ouu h HIS 59 N 1.00 0.20 -0.72 1.91 2.76 -0.64 -3.18 115.15 116.48 1ouu h HIS 59 Ca 0.39 -0.08 0.08 0.00 -2.20 0.00 0.00 60.37 58.56 1ouu h HIS 59 Cb 0.19 -0.04 -0.07 0.00 1.55 0.00 0.00 27.41 29.05 1ouu h HIS 59 CO -0.03 0.72 0.39 0.78 -1.30 0.00 0.00 177.93 178.49 1ouu h GLY 60 N 1.60 1.08 1.65 5.26 0.00 -0.25 -0.61 103.07 111.80 1ouu h GLY 60 Ca -0.01 -0.26 -0.04 0.00 0.00 0.00 0.00 47.33 47.03 1ouu h GLY 60 CO 0.09 0.11 0.02 -1.33 0.00 0.00 0.00 176.54 175.43 1ouu h GLY 61 N 0.68 0.48 0.91 4.60 0.00 -1.50 -2.25 103.07 105.98 1ouu h GLY 61 Ca 0.34 -0.26 -0.01 0.00 0.00 0.00 0.00 47.33 47.40 1ouu h GLY 61 CO -0.23 0.25 -0.07 -2.22 0.00 0.00 0.00 176.54 174.26 1ouu h ILE 62 N 0.44 0.90 -0.53 2.60 2.04 -1.12 0.18 117.51 122.01 1ouu h ILE 62 Ca 0.10 -0.20 0.05 0.00 1.00 0.00 0.00 64.86 65.80 1ouu h ILE 62 Cb 0.26 1.03 -0.05 0.00 -0.74 0.00 0.00 36.82 37.33 1ouu h ILE 62 CO 0.01 0.05 0.27 0.40 0.00 0.00 0.00 178.15 178.87 1ouu h ILE 63 N -0.30 0.95 -0.37 -0.67 2.04 -1.36 -1.88 117.51 115.93 1ouu h ILE 63 Ca -0.02 -0.18 -0.12 0.00 1.00 0.00 0.00 64.86 65.54 1ouu h ILE 63 Cb 0.23 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.69 1ouu h ILE 63 CO 0.03 0.10 -0.27 0.24 0.00 0.00 0.00 178.15 178.25 1ouu h MET 64 N 0.52 0.76 -0.78 2.37 2.86 -1.07 -2.10 114.93 117.49 1ouu h MET 64 Ca 0.23 -0.33 -0.02 0.00 -2.06 0.00 0.00 59.70 57.52 1ouu h MET 64 Cb 0.14 -0.02 -0.04 0.00 0.06 0.00 0.00 31.60 31.74 1ouu h MET 64 CO -0.16 0.94 0.39 0.78 1.06 0.00 0.00 176.91 179.92 1ouu h GLY 65 N 0.96 1.19 1.35 8.32 0.00 -0.23 0.89 103.07 115.55 1ouu h GLY 65 Ca 0.08 -0.56 -0.05 0.00 0.00 0.00 0.00 47.33 46.79 1ouu h GLY 65 CO 0.06 0.54 0.10 0.00 0.00 0.00 0.00 176.54 177.25 1ouu h ALA 66 N 1.32 1.21 -0.47 3.60 0.00 -0.98 0.34 119.26 124.28 1ouu h ALA 66 Ca 0.27 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1ouu h ALA 66 Cb 0.08 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1ouu h ALA 66 CO -0.04 0.54 -0.01 0.82 0.00 0.00 0.00 179.25 180.56 1ouu h ILE 67 N 0.77 1.26 -0.11 0.00 2.04 -0.81 -0.95 117.51 119.71 1ouu h ILE 67 Ca 0.17 -1.08 0.03 0.00 1.00 0.00 0.00 64.86 64.98 1ouu h ILE 67 Cb 0.32 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 37.39 1ouu h ILE 67 CO 0.00 0.37 -0.09 1.23 0.00 0.00 0.00 178.15 179.66 1ouu h GLY 68 N 0.68 -0.01 2.00 5.37 0.00 -0.23 0.39 103.07 111.28 1ouu h GLY 68 Ca 0.13 0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.55 1ouu h GLY 68 CO 0.03 -0.11 -0.11 1.70 0.00 0.00 0.00 176.54 178.05 1ouu h LYS 69 N -0.11 0.00 0.00 4.80 3.64 -0.81 -2.10 116.57 121.99 1ouu h LYS 69 Ca 0.07 0.00 -0.10 0.00 -1.27 0.00 0.00 60.65 59.36 1ouu h LYS 69 Cb 0.22 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.02 1ouu h LYS 69 CO -0.18 0.11 -0.46 0.00 -2.27 0.00 0.00 179.45 176.66 1ouu h ALA 70 N 1.89 1.19 -0.81 5.00 0.00 0.48 -3.02 119.26 123.98 1ouu h ALA 70 Ca -0.00 -0.42 0.12 0.00 0.00 0.00 0.00 54.91 54.62 1ouu h ALA 70 Cb 0.29 -0.07 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 1ouu h ALA 70 CO 0.01 0.57 0.42 0.28 0.00 0.00 0.00 179.25 180.53 1ouu h VAL 71 N 0.00 0.79 -0.00 0.00 2.07 -0.64 -0.43 116.25 118.03 1ouu h VAL 71 Ca -0.00 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.29 1ouu h VAL 71 Cb 0.84 0.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.69 1ouu h VAL 71 CO 0.06 0.12 -0.14 0.61 0.02 0.00 0.00 177.57 178.23 1ouu n GLY 72 N -1.32 -0.92 0.77 2.17 0.00 -1.14 -3.57 105.19 101.17 1ouu n GLY 72 Ca 0.15 -0.29 0.07 0.00 0.00 0.00 0.00 46.02 45.95 1ouu n GLY 72 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1ouu n LEU 73 N -0.94 3.43 0.12 0.99 4.77 -0.23 -4.77 117.00 120.37 1ouu n LEU 73 Ca 0.13 -2.53 0.20 0.00 -0.03 0.00 0.00 56.01 53.77 1ouu n LEU 73 Cb 0.29 -0.39 0.72 0.00 -2.33 0.00 0.00 43.42 41.71 1ouu n LEU 73 CO 0.25 0.70 1.17 0.24 -1.33 0.00 0.00 177.39 178.42 1ouu h MET 74 N 1.90 0.00 0.00 3.23 2.86 -1.46 -1.52 114.93 119.93 1ouu h MET 74 Ca 0.00 0.00 -0.08 0.00 -2.06 0.00 0.00 59.70 57.56 1ouu h MET 74 Cb 1.11 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.76 1ouu h MET 74 CO 0.12 0.00 -0.37 -0.44 1.06 0.00 0.00 176.91 177.28 1ouu h ASP 75 N 0.00 0.00 -1.77 1.22 3.32 -1.90 -3.40 116.42 113.89 1ouu h ASP 75 Ca 0.17 0.00 -0.39 0.00 0.02 0.00 0.00 57.03 56.83 1ouu h ASP 75 Cb 1.15 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 40.41 1ouu h ASP 75 CO -0.00 0.37 -0.76 -0.62 -1.72 0.00 0.00 179.24 176.51 1ouu s ASP 76 N -6.36 0.21 0.08 6.45 2.15 -0.58 -5.01 116.67 113.63 1ouu s ASP 76 Ca 0.03 -2.40 -0.07 0.00 0.43 0.00 0.00 52.55 50.54 1ouu s ASP 76 Cb 0.09 0.60 -0.24 0.00 -0.30 0.00 0.00 42.92 43.07 1ouu s ASP 76 CO 0.70 -0.13 1.17 -0.07 -0.17 0.00 0.00 175.17 176.67 1ouu h LEU 77 N 5.51 0.58 -0.31 -1.34 3.38 -1.77 -0.09 115.31 121.27 1ouu h LEU 77 Ca 0.17 -0.56 -0.06 0.00 0.09 0.00 0.00 57.88 57.52 1ouu h LEU 77 Cb 1.00 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.56 1ouu h LEU 77 CO 0.21 1.40 -0.04 -0.37 0.09 0.00 0.00 178.44 179.73 1ouu h VAL 78 N 0.16 1.27 -0.04 1.22 -1.51 -1.90 -0.90 116.25 114.55 1ouu h VAL 78 Ca -0.14 -1.05 0.02 0.00 -1.23 0.00 0.00 66.70 64.30 1ouu h VAL 78 Cb 1.88 1.33 -0.02 0.00 -2.13 0.00 0.00 31.29 32.34 1ouu h VAL 78 CO 0.21 0.34 -0.07 1.23 -1.23 0.00 0.00 177.57 178.04 1ouu h GLY 79 N 0.36 -0.04 1.74 5.19 0.00 -1.95 -2.60 103.07 105.76 1ouu h GLY 79 Ca 0.08 0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 1ouu h GLY 79 CO 0.02 -0.08 0.11 -1.33 0.00 0.00 0.00 176.54 175.26 1ouu h GLY 80 N -0.11 0.37 -2.62 4.60 0.00 -0.92 -3.04 103.07 101.36 1ouu h GLY 80 Ca 0.04 -0.16 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1ouu h GLY 80 CO -0.11 0.15 0.00 1.03 0.00 0.00 0.00 176.54 177.62 1ouu n MET 81 N -4.44 3.48 -0.03 4.80 2.00 -0.35 -4.74 117.12 117.83 1ouu n MET 81 Ca 0.01 -2.76 -0.09 0.00 0.00 0.00 0.00 57.70 54.85 1ouu n MET 81 Cb 0.12 -1.78 -0.03 0.00 0.00 0.00 0.00 33.22 31.52 1ouu n MET 81 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 175.97 176.74 1ouu h SER 82 N 3.55 -0.91 -0.82 7.83 0.02 -1.34 -1.83 113.55 120.04 1ouu h SER 82 Ca 0.00 0.15 0.02 0.00 -0.84 0.00 0.00 61.79 61.12 1ouu h SER 82 Cb 1.33 0.41 -0.04 0.00 0.14 0.00 0.00 62.40 64.23 1ouu h SER 82 CO 0.19 -0.32 0.54 0.00 -1.14 0.00 0.00 176.83 176.10 1ouu h ALA 83 N 0.62 1.46 0.00 3.77 0.00 -1.86 -1.79 119.26 121.46 1ouu h ALA 83 Ca 0.12 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 1ouu h ALA 83 Cb 0.51 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 1ouu h ALA 83 CO -0.39 0.47 -0.37 -0.07 0.00 0.00 0.00 179.25 178.90 1ouu h LEU 84 N 1.06 0.00 -0.72 0.00 3.38 -1.80 -2.45 115.31 114.78 1ouu h LEU 84 Ca 0.32 0.00 -0.11 0.00 0.09 0.00 0.00 57.88 58.18 1ouu h LEU 84 Cb -0.04 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.70 1ouu h LEU 84 CO -0.08 0.37 -0.19 -1.28 0.09 0.00 0.00 178.44 177.35 1ouu h SER 85 N 0.00 0.79 -0.37 -0.43 0.87 -0.51 -2.20 113.55 111.71 1ouu h SER 85 Ca -0.00 -0.27 -0.08 0.00 -1.23 0.00 0.00 61.79 60.20 1ouu h SER 85 Cb 0.86 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1ouu h SER 85 CO 0.05 0.97 -0.10 0.44 -0.53 0.00 0.00 176.83 177.66 1ouu h ASP 86 N 0.69 0.72 -0.45 6.23 3.32 -1.37 0.65 116.42 126.20 1ouu h ASP 86 Ca 0.10 -0.37 0.00 0.00 0.02 0.00 0.00 57.03 56.78 1ouu h ASP 86 Cb 0.70 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 40.03 1ouu h ASP 86 CO 0.05 0.92 0.29 0.25 -1.72 0.00 0.00 179.24 179.03 1ouu h LEU 87 N 0.51 0.53 0.05 1.55 5.85 -1.38 0.24 115.31 122.67 1ouu h LEU 87 Ca 0.09 -0.03 -0.28 0.00 0.84 0.00 0.00 57.88 58.50 1ouu h LEU 87 Cb 0.61 -0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.52 1ouu h LEU 87 CO 0.04 0.41 -1.19 0.45 -0.34 0.00 0.00 178.44 177.81 1ouu h HIS 88 N 0.61 0.75 0.19 1.25 3.86 -1.38 1.23 115.15 121.65 1ouu h HIS 88 Ca 0.17 -0.48 -0.01 0.00 -1.16 0.00 0.00 60.37 58.89 1ouu h HIS 88 Cb -0.04 -0.05 0.00 0.00 1.06 0.00 0.00 27.41 28.38 1ouu h HIS 88 CO -0.04 1.34 -0.09 0.00 0.86 0.00 0.00 177.93 180.00 1ouu h ALA 89 N 0.49 -0.25 0.00 2.45 0.00 0.52 0.11 119.26 122.58 1ouu h ALA 89 Ca -0.15 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.20 1ouu h ALA 89 Cb 1.87 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.70 1ouu h ALA 89 CO 0.21 -0.42 -2.06 1.19 0.00 0.00 0.00 179.25 178.18 1ouu n PHE 90 N -5.01 0.26 0.07 0.00 3.72 0.82 -3.32 117.46 114.00 1ouu n PHE 90 Ca -0.09 0.11 -0.13 0.00 -0.05 0.00 0.00 57.45 57.30 1ouu n PHE 90 Cb 0.25 -0.97 -0.09 0.00 -0.94 0.00 0.00 39.48 37.74 1ouu n PHE 90 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 1ouu h LYS 91 N -1.00 -0.20 0.01 -1.08 6.56 -1.34 -3.33 116.57 116.19 1ouu h LYS 91 Ca -0.54 0.01 -0.28 0.00 -1.06 0.00 0.00 60.65 58.78 1ouu h LYS 91 Cb 1.46 0.04 -0.04 0.00 -0.57 0.00 0.00 32.23 33.12 1ouu h LYS 91 CO -0.33 0.17 -1.58 -0.07 -2.06 0.00 0.00 179.45 175.58 1ouu h LEU 92 N -0.60 0.04 -1.81 2.94 3.38 0.14 -3.49 115.31 115.91 1ouu h LEU 92 Ca -0.02 -0.07 -0.29 0.00 0.09 0.00 0.00 57.88 57.59 1ouu h LEU 92 Cb 0.46 -0.01 0.16 0.00 0.09 0.00 0.00 40.66 41.35 1ouu h LEU 92 CO 0.03 1.06 -0.70 0.54 0.09 0.00 0.00 178.44 179.46 1ouu n ARG 93 N -3.14 -5.36 -2.97 1.13 1.74 0.31 -4.97 116.66 103.41 1ouu n ARG 93 Ca -0.14 0.77 -0.42 0.00 -0.77 0.00 0.00 57.85 57.28 1ouu n ARG 93 Cb 1.03 -5.50 -0.05 0.00 -1.02 0.00 0.00 32.46 26.92 1ouu n ARG 93 CO 0.00 0.00 0.00 0.08 -1.52 0.00 0.00 177.63 176.19 1ouu s VAL 94 N -3.33 4.81 0.18 1.55 1.01 -0.82 -5.02 120.40 118.79 1ouu s VAL 94 Ca 0.06 1.11 -0.33 0.00 0.00 0.00 0.00 61.98 62.82 1ouu s VAL 94 Cb -0.01 -4.13 -0.14 0.00 0.00 0.00 0.00 36.38 32.10 1ouu s VAL 94 CO 0.66 -0.25 1.43 -0.67 0.00 0.00 0.00 175.10 176.27 1ouu n ASP 95 N 6.18 2.57 0.00 3.32 -0.08 -1.26 -4.82 116.55 122.46 1ouu n ASP 95 Ca 0.03 1.12 0.07 0.00 -1.51 0.00 0.00 54.79 54.49 1ouu n ASP 95 Cb 0.48 -1.37 0.38 0.00 2.34 0.00 0.00 41.12 42.95 1ouu n ASP 95 CO 0.00 0.00 0.00 -2.65 0.12 0.00 0.00 177.20 174.67 1ouu n PRO 96 N 2.54 0.38 0.03 -0.67 -0.02 -1.26 -2.94 135.00 133.07 1ouu n PRO 96 Ca 0.15 0.02 0.14 0.00 -2.02 0.00 0.00 63.50 61.78 1ouu n PRO 96 Cb 0.28 -1.50 0.53 0.00 -0.02 0.00 0.00 33.50 32.79 1ouu n PRO 96 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ouu n GLY 97 N -0.18 -1.55 0.19 -1.23 0.00 -1.26 -2.98 105.19 98.18 1ouu n GLY 97 Ca 0.09 -0.09 0.12 0.00 0.00 0.00 0.00 46.02 46.14 1ouu n GLY 97 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1ouu h ASN 98 N 0.00 0.00 -0.61 1.61 2.35 -1.91 -3.33 115.58 113.69 1ouu h ASN 98 Ca 0.00 -0.00 -0.05 0.00 -0.55 0.00 0.00 56.30 55.70 1ouu h ASN 98 Cb 0.58 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.92 1ouu h ASN 98 CO 0.00 0.00 0.21 -0.26 -1.65 0.00 0.00 177.43 175.73 1ouu h PHE 99 N 0.00 1.00 -0.49 1.19 0.04 -1.76 -2.40 116.94 114.51 1ouu h PHE 99 Ca 0.00 -0.08 -0.04 0.00 2.80 0.00 0.00 57.97 60.64 1ouu h PHE 99 Cb 0.98 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.82 1ouu h PHE 99 CO 0.00 0.79 0.15 0.87 -0.60 0.00 0.00 178.31 179.52 1ouu h LYS 100 N 0.94 0.77 -0.60 1.51 1.79 -1.79 -2.57 116.57 116.63 1ouu h LYS 100 Ca 0.21 -0.17 0.01 0.00 -2.18 0.00 0.00 60.65 58.52 1ouu h LYS 100 Cb 0.26 -0.11 -0.03 0.00 -1.58 0.00 0.00 32.23 30.77 1ouu h LYS 100 CO -0.01 0.73 0.40 0.82 -1.08 0.00 0.00 179.45 180.31 1ouu h ILE 101 N 0.67 1.16 -0.71 1.86 2.04 -1.63 -1.24 117.51 119.65 1ouu h ILE 101 Ca 0.16 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1ouu h ILE 101 Cb 0.28 0.27 -0.03 0.00 -0.74 0.00 0.00 36.82 36.60 1ouu h ILE 101 CO -0.00 0.15 0.29 0.25 0.00 0.00 0.00 178.15 178.84 1ouu h LEU 102 N 0.82 0.97 -0.71 1.44 5.85 -1.36 -2.72 115.31 119.60 1ouu h LEU 102 Ca 0.22 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.67 1ouu h LEU 102 Cb -0.09 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 1ouu h LEU 102 CO -0.05 0.87 -0.15 0.28 -0.34 0.00 0.00 178.44 179.05 1ouu h SER 103 N 1.01 0.84 -0.15 1.25 0.02 -1.22 -2.88 113.55 112.42 1ouu h SER 103 Ca 0.24 -0.28 -0.12 0.00 -0.84 0.00 0.00 61.79 60.79 1ouu h SER 103 Cb 0.20 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.50 1ouu h SER 103 CO -0.02 0.99 -0.30 -0.74 -1.14 0.00 0.00 176.83 175.62 1ouu h HIS 104 N 0.75 0.73 0.00 3.45 -0.00 -1.05 -2.46 115.15 116.56 1ouu h HIS 104 Ca 0.12 -0.18 -0.04 0.00 -0.00 0.00 0.00 60.37 60.27 1ouu h HIS 104 Cb 0.66 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.90 1ouu h HIS 104 CO 0.04 0.86 -0.17 -0.91 -0.00 0.00 0.00 177.93 177.75 1ouu h ASN 105 N 0.54 0.00 0.14 3.26 2.35 -1.46 -2.24 115.58 118.18 1ouu h ASN 105 Ca 0.07 0.00 -0.30 0.00 -0.55 0.00 0.00 56.30 55.52 1ouu h ASN 105 Cb 0.79 0.00 0.03 0.00 0.05 0.00 0.00 38.32 39.18 1ouu h ASN 105 CO 0.06 0.17 -1.24 0.40 -1.65 0.00 0.00 177.43 175.17 1ouu h ILE 106 N 0.00 1.29 -0.20 2.81 2.04 -1.29 -2.42 117.51 119.74 1ouu h ILE 106 Ca -0.00 -2.47 -0.11 0.00 1.00 0.00 0.00 64.86 63.28 1ouu h ILE 106 Cb 0.81 2.69 -0.01 0.00 -0.74 0.00 0.00 36.82 39.57 1ouu h ILE 106 CO 0.02 0.75 -0.36 -0.07 0.00 0.00 0.00 178.15 178.49 1ouu h LEU 107 N 0.28 0.45 -0.69 1.44 3.38 -1.34 -2.24 115.31 116.58 1ouu h LEU 107 Ca -0.19 -0.18 -0.10 0.00 0.09 0.00 0.00 57.88 57.50 1ouu h LEU 107 Cb 1.91 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 42.52 1ouu h LEU 107 CO 0.24 0.78 -0.11 0.58 0.09 0.00 0.00 178.44 180.02 1ouu h VAL 108 N 0.36 1.26 -0.05 1.22 2.07 -1.41 -2.17 116.25 117.53 1ouu h VAL 108 Ca 0.04 -1.22 -0.12 0.00 0.82 0.00 0.00 66.70 66.22 1ouu h VAL 108 Cb 0.81 1.00 -0.01 0.00 -1.52 0.00 0.00 31.29 31.56 1ouu h VAL 108 CO 0.07 0.42 -0.52 0.74 0.02 0.00 0.00 177.57 178.30 1ouu h THR 109 N 0.81 1.36 -0.11 2.57 2.02 -1.33 -2.35 112.91 115.88 1ouu h THR 109 Ca 0.13 -1.78 -0.23 0.00 0.77 0.00 0.00 66.41 65.30 1ouu h THR 109 Cb 0.63 1.90 0.01 0.00 -1.74 0.00 0.00 68.15 68.95 1ouu h THR 109 CO 0.04 0.52 -0.83 -0.07 0.37 0.00 0.00 175.52 175.55 1ouu h LEU 110 N 0.11 0.88 -0.38 2.58 3.38 -1.17 -2.59 115.31 118.13 1ouu h LEU 110 Ca 0.00 -0.61 -0.04 0.00 0.09 0.00 0.00 57.88 57.33 1ouu h LEU 110 Cb 0.95 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.42 1ouu h LEU 110 CO 0.07 1.40 0.09 0.00 0.09 0.00 0.00 178.44 180.10 1ouu h ALA 111 N 0.57 0.50 -0.60 1.53 0.00 -1.39 0.12 119.26 120.00 1ouu h ALA 111 Ca -0.07 -0.18 -0.03 0.00 0.00 0.00 0.00 54.91 54.63 1ouu h ALA 111 Cb 1.46 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.08 1ouu h ALA 111 CO 0.17 0.17 0.24 0.82 0.00 0.00 0.00 179.25 180.65 1ouu h ILE 112 N 0.47 1.21 0.00 0.00 2.04 -1.38 -2.85 117.51 117.00 1ouu h ILE 112 Ca 0.12 -0.66 -0.29 0.00 1.00 0.00 0.00 64.86 65.02 1ouu h ILE 112 Cb 0.30 0.50 -0.05 0.00 -0.74 0.00 0.00 36.82 36.83 1ouu h ILE 112 CO 0.00 0.26 -1.76 1.41 0.00 0.00 0.00 178.15 178.07 1ouu n HIS 113 N -4.32 0.91 -3.14 1.37 8.25 -0.98 -4.66 115.22 112.65 1ouu n HIS 113 Ca 0.05 0.33 -0.20 0.00 -0.26 0.00 0.00 57.72 57.64 1ouu n HIS 113 Cb 0.16 -1.17 -0.03 0.00 1.12 0.00 0.00 29.99 30.07 1ouu n HIS 113 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1ouu n PHE 114 N -3.01 1.01 -0.26 4.41 3.72 0.42 -5.00 117.46 118.74 1ouu n PHE 114 Ca -0.18 -3.85 0.03 0.00 -0.05 0.00 0.00 57.45 53.40 1ouu n PHE 114 Cb 1.06 -0.43 0.17 0.00 -0.94 0.00 0.00 39.48 39.33 1ouu n PHE 114 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1ouu h PRO 115 N 3.03 0.57 -0.09 -1.08 0.10 -1.66 0.15 132.00 133.03 1ouu h PRO 115 Ca 0.11 -0.03 -0.18 0.00 0.10 0.00 0.00 66.00 65.99 1ouu h PRO 115 Cb 0.87 -0.13 -0.00 0.00 0.10 0.00 0.00 31.00 31.83 1ouu h PRO 115 CO 0.57 0.38 -0.71 0.77 0.10 0.00 0.00 178.00 179.11 1ouu h SER 116 N 0.59 0.50 0.11 -2.05 0.02 -1.94 -3.23 113.55 107.54 1ouu h SER 116 Ca 0.39 -0.32 -0.24 0.00 -0.84 0.00 0.00 61.79 60.78 1ouu h SER 116 Cb 0.47 -0.15 0.01 0.00 0.14 0.00 0.00 62.40 62.88 1ouu h SER 116 CO -0.31 1.05 -0.94 0.44 -1.14 0.00 0.00 176.83 175.93 1ouu h ASP 117 N 0.29 0.76 -0.59 3.07 3.32 -1.83 -3.39 116.42 118.06 1ouu h ASP 117 Ca -0.03 -0.58 -0.60 0.00 0.02 0.00 0.00 57.03 55.84 1ouu h ASP 117 Cb 1.28 -0.23 -0.06 0.00 0.22 0.00 0.00 39.33 40.54 1ouu h ASP 117 CO 0.12 1.38 2.10 0.33 -1.72 0.00 0.00 179.24 181.45 1ouu n PHE 118 N -3.83 3.88 -2.38 4.55 7.35 0.49 -4.72 117.46 122.81 1ouu n PHE 118 Ca -0.08 -2.48 -0.26 0.00 -0.76 0.00 0.00 57.45 53.86 1ouu n PHE 118 Cb 0.83 -2.56 0.04 0.00 0.35 0.00 0.00 39.48 38.14 1ouu n PHE 118 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1ouu s THR 119 N 5.68 3.38 0.32 -2.13 -4.23 -1.26 -4.85 115.64 112.54 1ouu s THR 119 Ca 0.56 -0.08 -0.00 0.00 -1.18 0.00 0.00 61.69 61.00 1ouu s THR 119 Cb 0.05 -3.36 0.27 0.00 1.34 0.00 0.00 72.50 70.80 1ouu s THR 119 CO 0.07 -0.36 1.98 -0.65 -0.54 0.00 0.00 174.62 175.11 1ouu h PRO 120 N -0.24 0.99 0.00 3.99 0.11 -1.97 0.41 132.00 135.29 1ouu h PRO 120 Ca -0.45 -0.06 -0.03 0.00 0.11 0.00 0.00 66.00 65.57 1ouu h PRO 120 Cb 1.27 -0.22 -0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ouu h PRO 120 CO 0.60 0.66 -0.14 0.93 -0.21 0.00 0.00 178.00 179.84 1ouu h GLU 121 N 1.02 0.00 0.09 1.05 3.07 -1.95 -2.12 114.58 115.74 1ouu h GLU 121 Ca 0.29 0.00 -0.29 0.00 -0.50 0.00 0.00 59.36 58.86 1ouu h GLU 121 Cb -0.07 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 27.82 1ouu h GLU 121 CO -0.07 0.14 -1.51 0.28 -1.40 0.00 0.00 179.01 176.44 1ouu h VAL 122 N 0.00 1.15 -0.71 3.13 2.07 -1.20 -3.34 116.25 117.36 1ouu h VAL 122 Ca -0.00 -2.84 0.01 0.00 0.82 0.00 0.00 66.70 64.69 1ouu h VAL 122 Cb 0.86 2.71 -0.04 0.00 -1.52 0.00 0.00 31.29 33.30 1ouu h VAL 122 CO 0.02 0.79 0.47 -0.74 0.02 0.00 0.00 177.57 178.13 1ouu h HIS 123 N 0.05 0.89 0.14 1.57 6.17 -0.19 -1.60 115.15 122.18 1ouu h HIS 123 Ca -0.23 0.02 0.01 0.00 0.71 0.00 0.00 60.37 60.89 1ouu h HIS 123 Cb 1.99 -0.30 -0.03 0.00 2.52 0.00 0.00 27.41 31.59 1ouu h HIS 123 CO 0.05 0.55 -0.23 0.82 0.71 0.00 0.00 177.93 179.82 1ouu h ILE 124 N 0.95 0.49 -0.51 6.26 1.08 -1.51 -0.54 117.51 123.73 1ouu h ILE 124 Ca 0.27 0.00 -0.06 0.00 -0.39 0.00 0.00 64.86 64.67 1ouu h ILE 124 Cb -0.09 0.49 -0.02 0.00 -3.07 0.00 0.00 36.82 34.13 1ouu h ILE 124 CO -0.07 0.00 0.07 0.00 -0.69 0.00 0.00 178.15 177.47 1ouu h ALA 125 N 0.31 0.68 -0.47 1.87 0.00 -1.64 -1.57 119.26 118.43 1ouu h ALA 125 Ca 0.02 -0.24 -0.10 0.00 0.00 0.00 0.00 54.91 54.58 1ouu h ALA 125 Cb 0.45 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1ouu h ALA 125 CO -0.11 0.42 -0.11 0.28 0.00 0.00 0.00 179.25 179.73 1ouu h VAL 126 N 0.73 1.27 -0.51 0.00 2.07 -1.25 -0.93 116.25 117.63 1ouu h VAL 126 Ca 0.15 -1.24 0.03 0.00 0.82 0.00 0.00 66.70 66.47 1ouu h VAL 126 Cb 0.41 1.09 -0.04 0.00 -1.52 0.00 0.00 31.29 31.24 1ouu h VAL 126 CO 0.01 0.43 0.29 -0.78 0.02 0.00 0.00 177.57 177.54 1ouu h ASP 127 N 0.76 0.44 -0.30 0.57 3.58 -1.04 -0.12 116.42 120.32 1ouu h ASP 127 Ca 0.12 0.01 -0.05 0.00 0.42 0.00 0.00 57.03 57.53 1ouu h ASP 127 Cb 0.66 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 41.62 1ouu h ASP 127 CO 0.05 0.31 0.02 0.11 -2.88 0.00 0.00 179.24 176.85 1ouu h LYS 128 N 0.57 0.62 -0.12 0.28 1.57 -1.06 0.30 116.57 118.72 1ouu h LYS 128 Ca 0.21 -0.14 -0.11 0.00 -1.87 0.00 0.00 60.65 58.75 1ouu h LYS 128 Cb 0.07 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.29 1ouu h LYS 128 CO -0.12 0.63 -0.36 0.35 -0.57 0.00 0.00 179.45 179.38 1ouu h PHE 129 N 0.59 0.60 -0.54 -1.35 3.57 -0.66 -2.62 116.94 116.52 1ouu h PHE 129 Ca 0.13 -0.24 -0.10 0.00 3.53 0.00 0.00 57.97 61.29 1ouu h PHE 129 Cb 0.34 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.96 1ouu h PHE 129 CO 0.01 0.97 -0.05 -0.07 -2.23 0.00 0.00 178.31 176.95 1ouu h LEU 130 N 0.05 0.94 -1.06 0.59 4.07 -0.84 -1.78 115.31 117.29 1ouu h LEU 130 Ca -0.01 -0.27 -0.03 0.00 0.08 0.00 0.00 57.88 57.65 1ouu h LEU 130 Cb 0.97 -0.25 -0.03 0.00 1.08 0.00 0.00 40.66 42.43 1ouu h LEU 130 CO 0.08 1.02 0.31 0.00 -1.08 0.00 0.00 178.44 178.77 1ouu h ALA 131 N 1.07 1.26 -0.05 1.53 0.00 -0.97 -2.36 119.26 119.74 1ouu h ALA 131 Ca 0.15 -0.15 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1ouu h ALA 131 Cb 0.57 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 1ouu h ALA 131 CO 0.03 0.56 -0.58 0.00 0.00 0.00 0.00 179.25 179.27 1ouu h ALA 132 N 1.37 0.95 -0.21 0.00 0.00 -1.14 -2.13 119.26 118.10 1ouu h ALA 132 Ca 0.23 -0.52 -0.16 0.00 0.00 0.00 0.00 54.91 54.46 1ouu h ALA 132 Cb 0.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1ouu h ALA 132 CO -0.03 0.71 -0.51 0.28 0.00 0.00 0.00 179.25 179.71 1ouu h VAL 133 N 0.11 1.31 0.07 0.00 2.07 -1.07 -2.37 116.25 116.36 1ouu h VAL 133 Ca -0.00 -1.72 -0.00 0.00 0.82 0.00 0.00 66.70 65.79 1ouu h VAL 133 Cb 1.05 1.83 -0.00 0.00 -1.52 0.00 0.00 31.29 32.65 1ouu h VAL 133 CO 0.08 0.54 -0.05 0.28 0.02 0.00 0.00 177.57 178.45 1ouu h SER 134 N 0.44 -0.12 -0.84 0.57 0.02 -1.43 -1.54 113.55 110.64 1ouu h SER 134 Ca -0.00 0.01 -0.01 0.00 -0.84 0.00 0.00 61.79 60.95 1ouu h SER 134 Cb 1.12 0.04 -0.04 0.00 0.14 0.00 0.00 62.40 63.66 1ouu h SER 134 CO 0.11 -0.08 0.51 0.00 -1.14 0.00 0.00 176.83 176.23 1ouu h ALA 135 N 0.81 1.29 -0.23 3.77 0.00 -1.38 -1.24 119.26 122.29 1ouu h ALA 135 Ca -0.00 -0.10 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 1ouu h ALA 135 Cb 0.10 -0.34 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1ouu h ALA 135 CO -0.00 0.60 -0.35 0.00 0.00 0.00 0.00 179.25 179.50 1ouu h ALA 136 N 1.39 0.97 0.00 0.00 0.00 -1.20 -2.47 119.26 117.95 1ouu h ALA 136 Ca 0.30 -0.40 -0.11 0.00 0.00 0.00 0.00 54.91 54.70 1ouu h ALA 136 Cb -0.04 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ouu h ALA 136 CO -0.06 0.61 -0.55 -0.07 0.00 0.00 0.00 179.25 179.19 1ouu h LEU 137 N 0.42 0.00 -1.97 0.00 3.38 -0.67 -3.15 115.31 113.32 1ouu h LEU 137 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1ouu h LEU 137 Cb 0.81 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.56 1ouu h LEU 137 CO 0.07 0.55 0.00 0.00 0.09 0.00 0.00 178.44 179.14 1ouu n ALA 138 N -2.34 2.43 0.00 1.53 0.00 -0.52 -4.32 120.51 117.30 1ouu n ALA 138 Ca -0.00 -0.92 -0.19 0.00 0.00 0.00 0.00 53.44 52.33 1ouu n ALA 138 Cb 0.62 -0.96 -0.09 0.00 0.00 0.00 0.00 19.45 19.02 1ouu n ALA 138 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1ouu h ASP 139 N 3.36 0.89 -0.15 0.00 3.58 -1.40 -3.31 116.42 119.38 1ouu h ASP 139 Ca 0.00 -0.68 0.00 0.00 0.42 0.00 0.00 57.03 56.77 1ouu h ASP 139 Cb 0.76 -0.27 0.00 0.00 1.72 0.00 0.00 39.33 41.54 1ouu h ASP 139 CO 0.00 1.44 0.00 0.29 -2.88 0.00 0.00 179.24 178.09 1ouu n LYS 140 N -3.94 1.89 0.08 0.28 4.76 -1.26 -4.34 118.16 115.62 1ouu n LYS 140 Ca -0.09 -0.78 -0.08 0.00 -2.87 0.00 0.00 58.31 54.49 1ouu n LYS 140 Cb 0.79 -1.59 0.03 0.00 -1.84 0.00 0.00 35.03 32.42 1ouu n LYS 140 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1ouu h TYR 141 N 1.03 0.37 0.00 2.13 -1.99 -1.87 -3.47 116.97 113.17 1ouu h TYR 141 Ca 0.00 -0.18 0.00 0.00 2.00 0.00 0.00 58.73 60.55 1ouu h TYR 141 Cb 0.76 -0.05 0.00 0.00 2.00 0.00 0.00 36.73 39.44 1ouu h TYR 141 CO 0.25 0.94 0.00 2.89 -0.00 0.00 0.00 178.16 182.24