#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 4.04 0.97 2.46 1.43 -1.26 -5.04 118.68 121.27 1ouu s LEU 2 Ca 0.00 1.29 -0.15 0.00 -1.03 0.00 0.00 54.13 54.23 1ouu s LEU 2 Cb 0.00 -3.54 0.19 0.00 0.03 0.00 0.00 46.19 42.87 1ouu s LEU 2 CO 0.00 -0.77 1.25 0.42 0.23 0.00 0.00 176.35 177.48 1ouu s THR 3 N 3.44 1.94 0.24 5.49 -4.23 -1.26 -4.84 115.64 116.42 1ouu s THR 3 Ca 0.46 0.00 -0.03 0.00 -1.18 0.00 0.00 61.69 60.94 1ouu s THR 3 Cb -0.15 -2.90 0.09 0.00 1.34 0.00 0.00 72.50 70.89 1ouu s THR 3 CO 0.11 0.00 1.72 0.00 -0.54 0.00 0.00 174.62 175.91 1ouu h ALA 4 N -1.68 1.03 0.50 3.99 0.00 -1.99 -1.54 119.26 119.57 1ouu h ALA 4 Ca -0.45 -0.29 -0.02 0.00 0.00 0.00 0.00 54.91 54.14 1ouu h ALA 4 Cb 1.27 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.88 1ouu h ALA 4 CO 0.44 0.59 -0.24 -0.22 0.00 0.00 0.00 179.25 179.83 1ouu h LYS 5 N 0.75 -0.65 -0.57 0.00 3.64 -2.00 -2.74 116.57 115.00 1ouu h LYS 5 Ca 0.14 0.04 0.11 0.00 -1.27 0.00 0.00 60.65 59.67 1ouu h LYS 5 Cb 0.52 0.15 -0.09 0.00 -0.41 0.00 0.00 32.23 32.40 1ouu h LYS 5 CO 0.03 -0.41 0.06 -0.44 -2.27 0.00 0.00 179.45 176.41 1ouu h ASP 6 N -0.72 -0.13 0.16 4.20 3.32 -1.86 -1.14 116.42 120.24 1ouu h ASP 6 Ca -0.07 0.12 -0.11 0.00 0.02 0.00 0.00 57.03 57.00 1ouu h ASP 6 Cb 0.54 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.28 1ouu h ASP 6 CO 0.11 -0.05 -0.39 0.11 -1.72 0.00 0.00 179.24 177.30 1ouu h LYS 7 N 0.18 0.31 -0.21 3.56 1.57 -1.29 -1.23 116.57 119.47 1ouu h LYS 7 Ca 0.30 -0.15 -0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1ouu h LYS 7 Cb 0.46 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.76 1ouu h LYS 7 CO -0.44 0.66 -0.08 0.77 -0.57 0.00 0.00 179.45 179.79 1ouu h SER 8 N 0.26 0.43 -0.65 0.86 0.02 -1.07 -0.62 113.55 112.79 1ouu h SER 8 Ca 0.03 -0.40 -0.04 0.00 -0.84 0.00 0.00 61.79 60.54 1ouu h SER 8 Cb 0.81 -0.12 -0.03 0.00 0.14 0.00 0.00 62.40 63.20 1ouu h SER 8 CO 0.06 0.73 0.27 0.58 -1.14 0.00 0.00 176.83 177.34 1ouu h VAL 9 N 0.13 1.23 0.58 2.27 2.07 -1.16 0.31 116.25 121.68 1ouu h VAL 9 Ca 0.05 -0.72 -0.03 0.00 0.82 0.00 0.00 66.70 66.82 1ouu h VAL 9 Cb 0.56 0.42 0.01 0.00 -1.52 0.00 0.00 31.29 30.76 1ouu h VAL 9 CO 0.03 0.29 -0.28 0.58 0.02 0.00 0.00 177.57 178.21 1ouu h VAL 10 N 0.97 0.38 -0.55 2.57 2.07 -1.03 -1.33 116.25 119.33 1ouu h VAL 10 Ca 0.23 -0.19 0.07 0.00 0.82 0.00 0.00 66.70 67.63 1ouu h VAL 10 Cb 0.18 0.45 -0.06 0.00 -1.52 0.00 0.00 31.29 30.34 1ouu h VAL 10 CO -0.02 0.03 0.23 0.11 0.02 0.00 0.00 177.57 177.93 1ouu h LYS 11 N -0.92 0.42 0.43 1.57 1.57 -0.95 0.89 116.57 119.58 1ouu h LYS 11 Ca -0.08 -0.03 -0.01 0.00 -1.87 0.00 0.00 60.65 58.66 1ouu h LYS 11 Cb 0.65 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1ouu h LYS 11 CO 0.13 0.28 -0.29 0.00 -0.57 0.00 0.00 179.45 179.00 1ouu h ALA 12 N 1.35 -0.70 -0.98 3.86 0.00 -0.85 -1.61 119.26 120.33 1ouu h ALA 12 Ca 0.26 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.09 1ouu h ALA 12 Cb 0.26 0.37 -0.06 0.00 0.00 0.00 0.00 17.79 18.36 1ouu h ALA 12 CO -0.24 -0.91 0.64 0.35 0.00 0.00 0.00 179.25 179.09 1ouu h PHE 13 N -0.70 1.19 -0.70 0.00 3.57 -1.09 -0.89 116.94 118.32 1ouu h PHE 13 Ca -0.04 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.54 1ouu h PHE 13 Cb 0.59 -0.39 -0.04 0.00 2.79 0.00 0.00 35.95 38.89 1ouu h PHE 13 CO -0.12 0.65 0.46 2.35 -2.23 0.00 0.00 178.31 179.42 1ouu h TRP 14 N 1.19 0.75 -0.81 0.41 2.91 -0.62 0.13 115.95 119.91 1ouu h TRP 14 Ca 0.41 0.02 -0.04 0.00 1.13 0.00 0.00 58.89 60.41 1ouu h TRP 14 Cb 0.09 -0.25 -0.04 0.00 -0.51 0.00 0.00 29.16 28.45 1ouu h TRP 14 CO -0.01 0.41 0.35 0.78 -1.03 0.00 0.00 178.44 178.94 1ouu h GLY 15 N 0.75 1.28 0.60 2.65 0.00 -0.16 0.11 103.07 108.31 1ouu h GLY 15 Ca 0.29 -0.67 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 1ouu h GLY 15 CO -0.09 0.64 -0.01 0.50 0.00 0.00 0.00 176.54 177.58 1ouu h LYS 16 N 1.17 0.03 0.00 4.80 1.57 -0.39 -3.31 116.57 120.45 1ouu h LYS 16 Ca 0.27 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.98 1ouu h LYS 16 Cb 0.18 -0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1ouu h LYS 16 CO -0.03 0.44 -0.31 -0.84 -0.57 0.00 0.00 179.45 178.14 1ouu h ILE 17 N -0.37 0.58 -0.55 1.86 3.07 -0.88 -3.38 117.51 117.84 1ouu h ILE 17 Ca 0.00 -1.63 0.05 0.00 1.55 0.00 0.00 64.86 64.84 1ouu h ILE 17 Cb 0.43 2.14 -0.07 0.00 -0.27 0.00 0.00 36.82 39.05 1ouu h ILE 17 CO 0.00 0.30 -0.31 -1.20 -1.05 0.00 0.00 178.15 175.89 1ouu n SER 18 N -3.24 -0.56 -0.31 2.16 7.64 0.38 -1.28 113.62 118.41 1ouu n SER 18 Ca 0.02 0.97 0.24 0.00 1.01 0.00 0.00 58.87 61.11 1ouu n SER 18 Cb 0.60 -0.13 0.54 0.00 -1.01 0.00 0.00 64.21 64.21 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 1.03 -0.96 0.23 0.00 -1.82 -2.52 103.07 99.02 1ouu h GLY 19 Ca 0.10 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 47.25 1ouu h GLY 19 CO -0.52 -0.11 -0.26 0.28 0.00 0.00 0.00 176.54 175.94 1ouu n LYS 20 N -4.56 1.49 -0.26 4.80 4.76 -0.41 -4.79 118.16 119.20 1ouu n LYS 20 Ca 0.25 -1.15 0.10 0.00 -2.87 0.00 0.00 58.31 54.64 1ouu n LYS 20 Cb 0.91 -1.48 0.21 0.00 -1.84 0.00 0.00 35.03 32.83 1ouu n LYS 20 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1ouu n ALA 21 N 0.25 0.36 0.15 7.82 0.00 -0.95 -0.81 120.51 127.33 1ouu n ALA 21 Ca 0.12 0.79 0.03 0.00 0.00 0.00 0.00 53.44 54.38 1ouu n ALA 21 Cb 0.47 -0.57 0.41 0.00 0.00 0.00 0.00 19.45 19.76 1ouu n ALA 21 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ouu h ASP 22 N 0.00 0.14 -0.10 0.00 3.32 -1.86 -0.27 116.42 117.64 1ouu h ASP 22 Ca 0.44 -0.03 -0.11 0.00 0.02 0.00 0.00 57.03 57.34 1ouu h ASP 22 Cb 0.89 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1ouu h ASP 22 CO -0.70 0.34 -0.38 0.58 -1.72 0.00 0.00 179.24 177.36 1ouu h VAL 23 N 0.14 1.38 -0.30 -1.35 2.07 -1.35 -2.13 116.25 114.72 1ouu h VAL 23 Ca 0.03 -1.72 -0.04 0.00 0.82 0.00 0.00 66.70 65.79 1ouu h VAL 23 Cb 0.41 2.18 -0.01 0.00 -1.52 0.00 0.00 31.29 32.36 1ouu h VAL 23 CO 0.03 0.51 0.03 0.58 0.02 0.00 0.00 177.57 178.73 1ouu h VAL 24 N 0.02 1.24 0.29 2.57 2.07 -1.12 0.50 116.25 121.81 1ouu h VAL 24 Ca -0.02 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1ouu h VAL 24 Cb 1.02 1.23 -0.01 0.00 -1.52 0.00 0.00 31.29 32.01 1ouu h VAL 24 CO 0.08 0.28 -0.18 1.23 0.02 0.00 0.00 177.57 179.00 1ouu h GLY 25 N 0.32 -0.47 0.06 2.17 0.00 -1.13 0.17 103.07 104.18 1ouu h GLY 25 Ca 0.09 0.20 0.09 0.00 0.00 0.00 0.00 47.33 47.72 1ouu h GLY 25 CO 0.01 -0.19 -0.12 0.00 0.00 0.00 0.00 176.54 176.25 1ouu h ALA 26 N 0.23 0.31 -0.59 3.60 0.00 -1.39 0.47 119.26 121.89 1ouu h ALA 26 Ca -0.03 0.18 -0.10 0.00 0.00 0.00 0.00 54.91 54.97 1ouu h ALA 26 Cb 0.38 0.36 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1ouu h ALA 26 CO 0.03 -0.44 -0.02 1.49 0.00 0.00 0.00 179.25 180.30 1ouu h GLU 27 N -0.00 1.05 -0.65 0.00 4.81 -0.61 -2.26 114.58 116.92 1ouu h GLU 27 Ca 0.23 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 59.04 1ouu h GLU 27 Cb 0.35 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.61 1ouu h GLU 27 CO -0.49 1.03 0.09 0.00 -0.73 0.00 0.00 179.01 178.92 1ouu h ALA 28 N 1.01 0.92 -0.28 2.92 0.00 -0.10 -2.01 119.26 121.72 1ouu h ALA 28 Ca 0.17 -0.28 -0.02 0.00 0.00 0.00 0.00 54.91 54.78 1ouu h ALA 28 Cb 0.58 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.11 1ouu h ALA 28 CO 0.03 0.66 0.12 1.25 0.00 0.00 0.00 179.25 181.31 1ouu h LEU 29 N 1.01 0.39 -1.94 0.00 5.85 -0.78 -1.63 115.31 118.21 1ouu h LEU 29 Ca 0.20 -0.16 0.01 0.00 0.84 0.00 0.00 57.88 58.77 1ouu h LEU 29 Cb 0.45 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 41.38 1ouu h LEU 29 CO 0.02 0.44 0.07 1.23 -0.34 0.00 0.00 178.44 179.86 1ouu h GLY 30 N 0.31 0.09 1.51 3.75 0.00 -1.31 -1.08 103.07 106.34 1ouu h GLY 30 Ca 0.09 -0.03 -0.22 0.00 0.00 0.00 0.00 47.33 47.17 1ouu h GLY 30 CO -0.01 0.03 -0.91 3.21 0.00 0.00 0.00 176.54 178.86 1ouu h ARG 31 N 0.08 0.44 -0.29 4.80 3.08 -0.83 -2.85 114.38 118.82 1ouu h ARG 31 Ca 0.04 -0.45 -0.04 0.00 0.07 0.00 0.00 59.98 59.60 1ouu h ARG 31 Cb 0.06 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.23 1ouu h ARG 31 CO -0.01 1.10 0.02 1.98 -1.07 0.00 0.00 179.97 182.00 1ouu h MET 32 N 0.26 0.49 -0.13 0.04 4.05 -0.27 0.44 114.93 119.81 1ouu h MET 32 Ca -0.07 -0.15 -0.13 0.00 -0.28 0.00 0.00 59.70 59.07 1ouu h MET 32 Cb 1.53 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 32.27 1ouu h MET 32 CO 0.16 0.62 -0.48 -0.07 0.23 0.00 0.00 176.91 177.37 1ouu h LEU 33 N 0.29 0.37 0.07 3.39 3.38 -1.51 0.12 115.31 121.42 1ouu h LEU 33 Ca 0.08 -0.18 -0.16 0.00 0.09 0.00 0.00 57.88 57.71 1ouu h LEU 33 Cb 0.39 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.03 1ouu h LEU 33 CO 0.01 0.79 -0.81 0.74 0.09 0.00 0.00 178.44 179.26 1ouu h THR 34 N 0.27 1.36 0.00 0.22 2.02 -1.50 -3.31 112.91 111.98 1ouu h THR 34 Ca 0.01 -2.38 -0.14 0.00 0.77 0.00 0.00 66.41 64.67 1ouu h THR 34 Cb 0.95 2.96 -0.02 0.00 -1.74 0.00 0.00 68.15 70.29 1ouu h THR 34 CO 0.08 0.61 -0.74 0.00 0.37 0.00 0.00 175.52 175.84 1ouu h ALA 35 N -0.08 0.58 -2.83 6.16 0.00 -0.18 -3.40 119.26 119.51 1ouu h ALA 35 Ca -0.18 -0.64 -0.61 0.00 0.00 0.00 0.00 54.91 53.48 1ouu h ALA 35 Cb 1.42 -0.06 -0.41 0.00 0.00 0.00 0.00 17.79 18.74 1ouu h ALA 35 CO 0.02 0.85 -0.70 0.66 0.00 0.00 0.00 179.25 180.07 1ouu n TYR 36 N -3.23 1.93 0.34 0.00 4.01 0.41 -5.00 117.16 115.61 1ouu n TYR 36 Ca 0.00 -3.99 0.23 0.00 -0.16 0.00 0.00 57.90 53.98 1ouu n TYR 36 Cb 0.81 -0.34 1.21 0.00 -0.31 0.00 0.00 39.34 40.71 1ouu n TYR 36 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1ouu h PRO 37 N 5.43 0.00 0.00 -0.72 0.13 -1.72 -2.91 132.00 132.20 1ouu h PRO 37 Ca 0.19 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.32 1ouu h PRO 37 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1ouu h PRO 37 CO 0.61 0.00 0.00 0.00 -0.23 0.00 0.00 178.00 178.38 1ouu n GLN 38 N -3.07 0.03 0.15 0.86 10.64 -1.26 -1.98 117.38 122.74 1ouu n GLN 38 Ca -0.03 0.30 0.08 0.00 -1.83 0.00 0.00 57.00 55.52 1ouu n GLN 38 Cb 0.07 -1.50 0.06 0.00 -0.86 0.00 0.00 30.24 28.01 1ouu n GLN 38 CO 0.00 0.00 0.00 1.79 -1.83 0.00 0.00 177.06 177.02 1ouu h THR 39 N 0.00 0.25 -0.13 -0.39 1.35 -1.83 -3.37 112.91 108.80 1ouu h THR 39 Ca 0.00 -1.40 0.04 0.00 -0.55 0.00 0.00 66.41 64.50 1ouu h THR 39 Cb 0.16 1.96 -0.01 0.00 -1.73 0.00 0.00 68.15 68.54 1ouu h THR 39 CO 0.00 0.14 0.14 0.11 -0.25 0.00 0.00 175.52 175.66 1ouu h LYS 40 N 0.00 0.00 0.00 4.72 1.57 -1.61 -2.82 116.57 118.43 1ouu h LYS 40 Ca -0.02 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 58.69 1ouu h LYS 40 Cb 1.16 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.46 1ouu h LYS 40 CO 0.02 0.00 -0.31 1.79 -0.57 0.00 0.00 179.45 180.38 1ouu h THR 41 N 0.00 1.13 0.00 -0.16 1.35 -1.79 -2.28 112.91 111.15 1ouu h THR 41 Ca 0.06 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.83 1ouu h THR 41 Cb 0.33 1.60 0.00 0.00 -1.73 0.00 0.00 68.15 68.35 1ouu h THR 41 CO -0.00 0.30 0.00 1.88 -0.25 0.00 0.00 175.52 177.45 1ouu h TYR 42 N 0.00 0.00 -0.07 4.73 0.05 -1.81 -3.25 116.97 116.62 1ouu h TYR 42 Ca -0.00 0.00 -0.03 0.00 0.05 0.00 0.00 58.73 58.75 1ouu h TYR 42 Cb 0.58 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.30 1ouu h TYR 42 CO 0.00 0.00 -0.24 1.19 -1.05 0.00 0.00 178.16 178.06 1ouu n PHE 43 N -2.43 0.22 0.25 4.88 3.72 -0.86 -4.84 117.46 118.40 1ouu n PHE 43 Ca 0.02 -1.30 0.18 0.00 -0.05 0.00 0.00 57.45 56.30 1ouu n PHE 43 Cb 0.28 -0.26 0.88 0.00 -0.94 0.00 0.00 39.48 39.44 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 0.73 0.00 -0.01 4.37 0.02 -1.60 -2.60 113.55 114.46 1ouu h SER 44 Ca 0.03 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.98 1ouu h SER 44 Cb 1.13 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.67 1ouu h SER 44 CO 0.07 0.00 0.00 0.00 -1.14 0.00 0.00 176.83 175.76 1ouu n HIS 45 N -3.44 0.01 -3.44 3.45 -0.00 -1.26 -4.82 115.22 105.72 1ouu n HIS 45 Ca 0.01 -0.00 -0.38 0.00 -0.00 0.00 0.00 57.72 57.34 1ouu n HIS 45 Cb 0.33 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.26 1ouu n HIS 45 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.34 174.76 1ouu s TRP 46 N -1.99 3.65 0.08 -1.40 0.51 -0.98 -5.03 118.94 113.78 1ouu s TRP 46 Ca 0.43 0.95 -0.31 0.00 -2.12 0.00 0.00 56.10 55.05 1ouu s TRP 46 Cb 0.21 -2.38 -0.16 0.00 -0.81 0.00 0.00 33.47 30.32 1ouu s TRP 46 CO 0.34 0.47 1.64 0.00 -0.51 0.00 0.00 176.95 178.89 1ouu h ALA 47 N 5.46 -0.73 -3.25 0.98 0.00 -1.88 -3.43 119.26 116.41 1ouu h ALA 47 Ca -0.47 -0.14 -0.62 0.00 0.00 0.00 0.00 54.91 53.67 1ouu h ALA 47 Cb 1.20 0.36 -0.34 0.00 0.00 0.00 0.00 17.79 19.01 1ouu h ALA 47 CO 0.67 -0.92 -0.85 0.34 0.00 0.00 0.00 179.25 178.48 1ouu s ASP 48 N -4.57 2.72 0.00 0.00 -1.08 -1.26 -5.00 116.67 107.48 1ouu s ASP 48 Ca -0.17 -0.50 0.20 0.00 -0.52 0.00 0.00 52.55 51.57 1ouu s ASP 48 Cb 0.05 -1.24 0.26 0.00 -1.46 0.00 0.00 42.92 40.53 1ouu s ASP 48 CO 0.63 0.05 1.23 0.18 0.52 0.00 0.00 175.17 177.77 1ouu n LEU 49 N 4.11 2.95 -4.80 -1.34 4.77 -1.26 -4.52 117.00 116.90 1ouu n LEU 49 Ca -0.19 -1.23 -0.34 0.00 -0.03 0.00 0.00 56.01 54.21 1ouu n LEU 49 Cb 0.51 -0.10 -0.06 0.00 -2.33 0.00 0.00 43.42 41.45 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 -1.55 6.90 -0.27 -1.43 1.04 -1.26 -4.82 113.70 112.30 1ouu s SER 50 Ca 0.28 1.81 -0.40 0.00 0.48 0.00 0.00 55.95 58.12 1ouu s SER 50 Cb 0.18 -2.56 -0.16 0.00 0.10 0.00 0.00 66.02 63.59 1ouu s SER 50 CO 0.27 -0.39 1.72 -0.81 0.98 0.00 0.00 173.24 175.01 1ouu n PRO 51 N -0.37 1.12 -0.18 4.02 -0.04 -1.26 0.23 135.00 138.52 1ouu n PRO 51 Ca 0.06 0.41 0.00 0.00 -0.04 0.00 0.00 63.50 63.93 1ouu n PRO 51 Cb 0.52 -2.09 0.00 0.00 -0.04 0.00 0.00 33.50 31.90 1ouu n PRO 51 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ouu n GLY 52 N 4.12 0.78 3.72 0.55 0.00 -1.26 -5.06 105.19 108.05 1ouu n GLY 52 Ca 0.26 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.98 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 -2.84 3.75 0.12 1.61 1.04 0.14 -4.75 113.70 112.77 1ouu s SER 53 Ca 0.00 1.75 -0.26 0.00 0.48 0.00 0.00 55.95 57.92 1ouu s SER 53 Cb 0.00 -2.40 -0.07 0.00 0.10 0.00 0.00 66.02 63.66 1ouu s SER 53 CO 0.00 -2.50 1.65 1.23 0.98 0.00 0.00 173.24 174.60 1ouu h GLY 54 N -1.45 -0.36 1.73 7.32 0.00 -1.88 0.55 103.07 108.98 1ouu h GLY 54 Ca -0.46 0.27 -0.13 0.00 0.00 0.00 0.00 47.33 47.01 1ouu h GLY 54 CO 0.51 -0.20 -0.49 -0.56 0.00 0.00 0.00 176.54 175.80 1ouu h PRO 55 N -0.38 0.29 -0.09 4.80 0.13 -1.93 0.27 132.00 135.09 1ouu h PRO 55 Ca 0.05 -0.16 -0.01 0.00 -0.87 0.00 0.00 66.00 65.01 1ouu h PRO 55 Cb 0.44 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 31.58 1ouu h PRO 55 CO -0.18 0.72 0.03 0.28 -0.23 0.00 0.00 178.00 178.62 1ouu h VAL 56 N 0.23 1.18 0.32 1.56 2.07 -1.72 0.10 116.25 120.00 1ouu h VAL 56 Ca 0.01 -0.54 -0.02 0.00 0.82 0.00 0.00 66.70 66.98 1ouu h VAL 56 Cb 0.95 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 32.10 1ouu h VAL 56 CO 0.08 0.15 -0.16 0.11 0.02 0.00 0.00 177.57 177.78 1ouu h LYS 57 N -0.05 -0.42 -0.48 1.57 1.57 0.29 -1.45 116.57 117.60 1ouu h LYS 57 Ca 0.03 0.03 0.05 0.00 -1.87 0.00 0.00 60.65 58.88 1ouu h LYS 57 Cb 0.22 0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.58 1ouu h LYS 57 CO -0.00 -0.24 0.23 -0.22 -0.57 0.00 0.00 179.45 178.64 1ouu h LYS 58 N -0.49 0.43 -0.34 3.15 3.11 -0.41 -2.84 116.57 119.18 1ouu h LYS 58 Ca -0.04 -0.03 -0.13 0.00 -2.81 0.00 0.00 60.65 57.64 1ouu h LYS 58 Cb 0.37 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 31.49 1ouu h LYS 58 CO 0.07 0.29 -0.33 1.25 -2.81 0.00 0.00 179.45 177.92 1ouu h HIS 59 N 0.45 0.87 -0.12 1.91 2.76 -0.69 -2.93 115.15 117.38 1ouu h HIS 59 Ca 0.21 -0.23 0.04 0.00 -2.20 0.00 0.00 60.37 58.19 1ouu h HIS 59 Cb 0.15 -0.19 -0.00 0.00 1.55 0.00 0.00 27.41 28.91 1ouu h HIS 59 CO -0.11 0.97 0.10 0.78 -1.30 0.00 0.00 177.93 178.37 1ouu h GLY 60 N 0.95 0.00 1.93 5.26 0.00 -1.03 0.12 103.07 110.31 1ouu h GLY 60 Ca 0.07 0.00 -0.21 0.00 0.00 0.00 0.00 47.33 47.19 1ouu h GLY 60 CO 0.07 0.00 -1.03 -1.33 0.00 0.00 0.00 176.54 174.26 1ouu h GLY 61 N 0.00 0.00 0.92 4.60 0.00 -1.41 -2.95 103.07 104.23 1ouu h GLY 61 Ca 0.06 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ouu h GLY 61 CO -0.00 0.00 0.11 -2.22 0.00 0.00 0.00 176.54 174.43 1ouu h ILE 62 N 0.00 1.21 -0.87 2.60 2.04 -0.60 -1.54 117.51 120.35 1ouu h ILE 62 Ca -0.03 -0.67 0.01 0.00 1.00 0.00 0.00 64.86 65.17 1ouu h ILE 62 Cb 1.77 0.99 -0.04 0.00 -0.74 0.00 0.00 36.82 38.80 1ouu h ILE 62 CO 0.12 0.23 0.58 0.40 0.00 0.00 0.00 178.15 179.48 1ouu h ILE 63 N 0.41 1.21 0.00 -0.67 2.04 -1.46 -2.28 117.51 116.77 1ouu h ILE 63 Ca 0.11 -0.40 -0.13 0.00 1.00 0.00 0.00 64.86 65.45 1ouu h ILE 63 Cb 0.25 -0.06 -0.02 0.00 -0.74 0.00 0.00 36.82 36.25 1ouu h ILE 63 CO -0.00 0.21 -0.60 0.24 0.00 0.00 0.00 178.15 178.00 1ouu h MET 64 N 1.17 0.00 0.00 2.37 2.86 -1.31 -1.75 114.93 118.27 1ouu h MET 64 Ca 0.32 0.00 -0.09 0.00 -2.06 0.00 0.00 59.70 57.87 1ouu h MET 64 Cb -0.12 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.53 1ouu h MET 64 CO -0.08 0.60 -0.44 0.78 1.06 0.00 0.00 176.91 178.83 1ouu h GLY 65 N 2.13 0.00 1.02 8.32 0.00 -1.02 0.14 103.07 113.66 1ouu h GLY 65 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 47.33 47.13 1ouu h GLY 65 CO 0.08 0.00 -0.69 0.00 0.00 0.00 0.00 176.54 175.93 1ouu h ALA 66 N 1.56 0.21 -0.44 3.60 0.00 -1.03 -2.95 119.26 120.22 1ouu h ALA 66 Ca -0.00 -0.57 -0.11 0.00 0.00 0.00 0.00 54.91 54.22 1ouu h ALA 66 Cb 1.00 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.78 1ouu h ALA 66 CO 0.06 0.53 -0.14 0.82 0.00 0.00 0.00 179.25 180.51 1ouu h ILE 67 N 0.29 1.27 -0.97 0.00 2.04 -1.24 -2.00 117.51 116.91 1ouu h ILE 67 Ca -0.06 -1.27 0.16 0.00 1.00 0.00 0.00 64.86 64.69 1ouu h ILE 67 Cb 1.34 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 38.50 1ouu h ILE 67 CO 0.14 0.43 0.61 1.23 0.00 0.00 0.00 178.15 180.56 1ouu h GLY 68 N 0.71 1.49 1.70 5.37 0.00 -0.76 -0.11 103.07 111.47 1ouu h GLY 68 Ca 0.11 -0.35 -0.19 0.00 0.00 0.00 0.00 47.33 46.90 1ouu h GLY 68 CO 0.05 0.06 -0.82 1.70 0.00 0.00 0.00 176.54 177.52 1ouu h LYS 69 N 0.78 0.28 0.00 4.80 3.64 -1.32 -3.04 116.57 121.71 1ouu h LYS 69 Ca 0.51 -0.27 -0.04 0.00 -1.27 0.00 0.00 60.65 59.57 1ouu h LYS 69 Cb 0.75 0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 32.63 1ouu h LYS 69 CO -0.28 0.96 -0.20 0.00 -2.27 0.00 0.00 179.45 177.67 1ouu h ALA 70 N 0.95 1.31 -0.97 5.00 0.00 -0.27 -0.53 119.26 124.76 1ouu h ALA 70 Ca -0.04 -0.18 0.06 0.00 0.00 0.00 0.00 54.91 54.75 1ouu h ALA 70 Cb 1.43 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 19.12 1ouu h ALA 70 CO 0.13 0.24 0.63 0.28 0.00 0.00 0.00 179.25 180.54 1ouu h VAL 71 N 0.00 1.09 0.00 0.00 2.07 -1.26 -1.58 116.25 116.57 1ouu h VAL 71 Ca -0.00 -0.39 0.00 0.00 0.82 0.00 0.00 66.70 67.13 1ouu h VAL 71 Cb 0.46 -0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.08 1ouu h VAL 71 CO 0.03 0.21 -0.09 1.23 0.02 0.00 0.00 177.57 178.96 1ouu h GLY 72 N 1.14 0.00 -3.34 2.17 0.00 -1.21 -3.29 103.07 98.55 1ouu h GLY 72 Ca 0.41 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.74 1ouu h GLY 72 CO -0.16 0.00 0.00 1.04 0.00 0.00 0.00 176.54 177.42 1ouu n LEU 73 N -2.74 5.55 0.14 3.11 4.77 -0.65 -4.69 117.00 122.49 1ouu n LEU 73 Ca 0.04 -2.94 0.10 0.00 -0.03 0.00 0.00 56.01 53.18 1ouu n LEU 73 Cb 0.49 -0.67 0.53 0.00 -2.33 0.00 0.00 43.42 41.44 1ouu n LEU 73 CO 0.33 0.64 0.81 0.23 -1.33 0.00 0.00 177.39 178.07 1ouu n MET 74 N 0.50 0.14 0.15 3.23 2.81 -0.85 -2.30 117.12 120.80 1ouu n MET 74 Ca 0.27 0.58 0.05 0.00 -1.81 0.00 0.00 57.70 56.79 1ouu n MET 74 Cb 1.17 -1.91 0.05 0.00 -0.71 0.00 0.00 33.22 31.82 1ouu n MET 74 CO 0.00 0.00 0.00 -0.44 1.51 0.00 0.00 175.97 177.04 1ouu h ASP 75 N 0.00 0.00 -1.73 7.83 3.32 -1.90 -3.42 116.42 120.52 1ouu h ASP 75 Ca 0.00 0.00 -0.30 0.00 0.02 0.00 0.00 57.03 56.75 1ouu h ASP 75 Cb 0.08 0.00 -0.28 0.00 0.22 0.00 0.00 39.33 39.35 1ouu h ASP 75 CO 0.00 0.39 -0.64 -0.62 -1.72 0.00 0.00 179.24 176.65 1ouu s ASP 76 N -6.36 0.50 -0.04 6.45 2.15 -0.97 -5.05 116.67 113.35 1ouu s ASP 76 Ca 0.04 -1.49 -0.15 0.00 0.43 0.00 0.00 52.55 51.38 1ouu s ASP 76 Cb 0.07 0.87 -0.31 0.00 -0.30 0.00 0.00 42.92 43.25 1ouu s ASP 76 CO 0.73 -0.23 0.75 -0.07 -0.17 0.00 0.00 175.17 176.18 1ouu h LEU 77 N 6.89 0.60 -0.99 -1.34 3.38 -1.80 -0.91 115.31 121.15 1ouu h LEU 77 Ca 0.06 -0.92 0.04 0.00 0.09 0.00 0.00 57.88 57.15 1ouu h LEU 77 Cb 1.08 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 41.58 1ouu h LEU 77 CO 0.17 1.68 0.65 -0.37 0.09 0.00 0.00 178.44 180.66 1ouu h VAL 78 N -0.05 1.17 -0.09 1.22 -1.51 -1.88 0.21 116.25 115.33 1ouu h VAL 78 Ca -0.29 -0.43 -0.04 0.00 -1.23 0.00 0.00 66.70 64.71 1ouu h VAL 78 Cb 1.98 -0.19 -0.00 0.00 -2.13 0.00 0.00 31.29 30.94 1ouu h VAL 78 CO 0.17 0.23 -0.09 1.23 -1.23 0.00 0.00 177.57 177.87 1ouu h GLY 79 N 1.25 0.25 1.96 5.19 0.00 -1.95 -2.94 103.07 106.83 1ouu h GLY 79 Ca 0.39 -0.25 -0.01 0.00 0.00 0.00 0.00 47.33 47.46 1ouu h GLY 79 CO -0.12 0.23 -0.04 -1.33 0.00 0.00 0.00 176.54 175.27 1ouu h GLY 80 N -0.19 0.06 -1.65 4.60 0.00 -0.11 -3.01 103.07 102.77 1ouu h GLY 80 Ca 0.01 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.32 1ouu h GLY 80 CO 0.02 0.03 0.00 1.03 0.00 0.00 0.00 176.54 177.62 1ouu n MET 81 N -4.46 3.02 -0.17 4.80 2.81 0.64 -4.78 117.12 119.00 1ouu n MET 81 Ca -0.02 -2.69 -0.11 0.00 -1.81 0.00 0.00 57.70 53.06 1ouu n MET 81 Cb 0.14 -1.74 -0.07 0.00 -0.71 0.00 0.00 33.22 30.84 1ouu n MET 81 CO 0.00 0.00 0.00 0.77 1.51 0.00 0.00 175.97 178.25 1ouu h SER 82 N 2.00 -1.69 -1.00 7.83 0.02 -1.37 -1.12 113.55 118.22 1ouu h SER 82 Ca 0.00 0.24 0.14 0.00 -0.84 0.00 0.00 61.79 61.34 1ouu h SER 82 Cb 1.32 0.72 -0.09 0.00 0.14 0.00 0.00 62.40 64.49 1ouu h SER 82 CO 0.19 -0.37 0.62 0.00 -1.14 0.00 0.00 176.83 176.12 1ouu h ALA 83 N 0.26 1.55 0.00 3.77 0.00 -1.87 0.10 119.26 123.07 1ouu h ALA 83 Ca 0.12 0.04 -0.06 0.00 0.00 0.00 0.00 54.91 55.01 1ouu h ALA 83 Cb 0.58 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1ouu h ALA 83 CO -0.63 0.13 -0.31 -0.07 0.00 0.00 0.00 179.25 178.37 1ouu h LEU 84 N 0.91 0.00 -0.34 0.00 3.38 -1.77 -2.76 115.31 114.72 1ouu h LEU 84 Ca 0.52 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 58.40 1ouu h LEU 84 Cb 0.62 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.36 1ouu h LEU 84 CO -0.31 0.31 -0.15 -1.28 0.09 0.00 0.00 178.44 177.10 1ouu h SER 85 N 0.00 0.72 0.42 -0.43 0.87 0.45 -2.92 113.55 112.66 1ouu h SER 85 Ca -0.00 -0.40 -0.02 0.00 -1.23 0.00 0.00 61.79 60.14 1ouu h SER 85 Cb 0.65 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1ouu h SER 85 CO 0.04 0.96 -0.24 0.44 -0.53 0.00 0.00 176.83 177.50 1ouu h ASP 86 N 0.48 -0.60 -0.25 6.23 3.32 -1.39 0.49 116.42 124.70 1ouu h ASP 86 Ca 0.08 0.03 0.06 0.00 0.02 0.00 0.00 57.03 57.22 1ouu h ASP 86 Cb 0.68 0.17 -0.08 0.00 0.22 0.00 0.00 39.33 40.32 1ouu h ASP 86 CO 0.05 -0.39 -0.32 0.25 -1.72 0.00 0.00 179.24 177.11 1ouu h LEU 87 N -0.62 -1.03 -0.56 1.55 5.85 -1.56 0.73 115.31 119.68 1ouu h LEU 87 Ca -0.05 0.16 -0.14 0.00 0.84 0.00 0.00 57.88 58.70 1ouu h LEU 87 Cb 0.50 0.46 -0.02 0.00 0.37 0.00 0.00 40.66 41.97 1ouu h LEU 87 CO 0.06 -0.34 -0.67 0.45 -0.34 0.00 0.00 178.44 177.61 1ouu h HIS 88 N -0.33 0.00 0.28 1.25 3.86 -1.49 0.83 115.15 119.56 1ouu h HIS 88 Ca 0.13 0.00 -0.01 0.00 -1.16 0.00 0.00 60.37 59.33 1ouu h HIS 88 Cb 0.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.01 1ouu h HIS 88 CO -0.46 0.67 -0.14 0.00 0.86 0.00 0.00 177.93 178.86 1ouu h ALA 89 N 1.33 -0.38 0.00 2.45 0.00 0.96 -0.91 119.26 122.71 1ouu h ALA 89 Ca -0.01 -0.16 -0.31 0.00 0.00 0.00 0.00 54.91 54.43 1ouu h ALA 89 Cb 1.25 0.15 -0.06 0.00 0.00 0.00 0.00 17.79 19.13 1ouu h ALA 89 CO 0.09 -0.40 -2.17 1.19 0.00 0.00 0.00 179.25 177.96 1ouu n PHE 90 N -5.03 0.00 0.23 0.00 3.72 0.25 -3.16 117.46 113.46 1ouu n PHE 90 Ca -0.07 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.21 1ouu n PHE 90 Cb 0.23 -0.81 -0.07 0.00 -0.94 0.00 0.00 39.48 37.89 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 0.00 -0.61 0.00 -1.08 6.56 -1.07 -3.37 116.57 117.01 1ouu h LYS 91 Ca -0.46 0.04 -0.05 0.00 -1.06 0.00 0.00 60.65 59.12 1ouu h LYS 91 Cb 1.86 0.14 -0.01 0.00 -0.57 0.00 0.00 32.23 33.65 1ouu h LYS 91 CO -0.03 -0.32 -1.28 1.28 -2.06 0.00 0.00 179.45 177.04 1ouu n LEU 92 N -5.22 0.72 -3.62 2.94 4.77 0.13 -5.03 117.00 111.69 1ouu n LEU 92 Ca -0.09 0.29 -0.30 0.00 -0.03 0.00 0.00 56.01 55.88 1ouu n LEU 92 Cb 0.29 -0.00 0.01 0.00 -2.33 0.00 0.00 43.42 41.40 1ouu n LEU 92 CO 0.26 -0.06 -0.26 0.54 -1.33 0.00 0.00 177.39 176.54 1ouu n ARG 93 N -2.68 -1.63 -3.26 3.23 1.74 -0.47 -4.89 116.66 108.70 1ouu n ARG 93 Ca -0.04 0.96 -0.38 0.00 -0.77 0.00 0.00 57.85 57.62 1ouu n ARG 93 Cb 0.64 -2.04 -0.06 0.00 -1.02 0.00 0.00 32.46 29.99 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 -2.35 5.04 0.05 1.55 1.01 -0.48 -4.99 120.40 120.23 1ouu s VAL 94 Ca 0.14 1.12 -0.30 0.00 0.00 0.00 0.00 61.98 62.94 1ouu s VAL 94 Cb -0.01 -3.88 -0.08 0.00 0.00 0.00 0.00 36.38 32.40 1ouu s VAL 94 CO 0.86 0.38 1.78 -0.62 0.00 0.00 0.00 175.10 177.50 1ouu s ASP 95 N 0.12 6.53 0.00 3.32 -1.08 -1.26 -4.84 116.67 119.47 1ouu s ASP 95 Ca 0.29 2.55 0.06 0.00 -0.52 0.00 0.00 52.55 54.92 1ouu s ASP 95 Cb -0.17 -2.55 0.30 0.00 -1.46 0.00 0.00 42.92 39.04 1ouu s ASP 95 CO 0.14 -0.97 0.95 -0.81 0.52 0.00 0.00 175.17 175.01 1ouu n PRO 96 N 6.46 0.11 0.00 4.34 -0.05 -1.26 -2.27 135.00 142.33 1ouu n PRO 96 Ca 0.18 0.16 0.15 0.00 -0.05 0.00 0.00 63.50 63.93 1ouu n PRO 96 Cb 0.41 -1.50 0.70 0.00 -0.05 0.00 0.00 33.50 33.06 1ouu n PRO 96 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 175.50 175.86 1ouu n GLY 97 N -0.76 -1.25 0.06 0.55 0.00 -1.26 -2.80 105.19 99.73 1ouu n GLY 97 Ca 0.03 -0.17 0.12 0.00 0.00 0.00 0.00 46.02 46.01 1ouu n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1ouu n ASN 98 N -1.26 0.64 0.12 1.61 3.02 -0.96 -3.60 115.26 114.83 1ouu n ASN 98 Ca 0.13 0.15 -0.01 0.00 -0.03 0.00 0.00 54.58 54.82 1ouu n ASN 98 Cb 0.26 0.00 0.22 0.00 -0.61 0.00 0.00 39.78 39.65 1ouu n ASN 98 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 1ouu h PHE 99 N 0.00 0.15 -0.01 3.10 0.04 -1.72 -2.73 116.94 115.77 1ouu h PHE 99 Ca 0.00 -0.05 -0.17 0.00 2.80 0.00 0.00 57.97 60.55 1ouu h PHE 99 Cb 0.69 -0.03 -0.02 0.00 2.20 0.00 0.00 35.95 38.79 1ouu h PHE 99 CO 0.00 0.60 -0.77 0.87 -0.60 0.00 0.00 178.31 178.41 1ouu h LYS 100 N 0.10 0.12 -0.02 1.51 1.79 -1.78 -2.72 116.57 115.56 1ouu h LYS 100 Ca 0.00 -0.11 -0.00 0.00 -2.18 0.00 0.00 60.65 58.36 1ouu h LYS 100 Cb 0.91 0.03 -0.00 0.00 -1.58 0.00 0.00 32.23 31.59 1ouu h LYS 100 CO 0.07 0.82 -0.01 0.82 -1.08 0.00 0.00 179.45 180.08 1ouu h ILE 101 N 0.07 1.33 0.19 1.86 2.04 -1.63 -1.40 117.51 119.98 1ouu h ILE 101 Ca -0.02 -1.00 -0.00 0.00 1.00 0.00 0.00 64.86 64.84 1ouu h ILE 101 Cb 1.35 1.98 -0.01 0.00 -0.74 0.00 0.00 36.82 39.39 1ouu h ILE 101 CO 0.11 0.26 -0.15 0.25 0.00 0.00 0.00 178.15 178.62 1ouu h LEU 102 N -0.37 -0.40 -0.77 1.44 5.85 -1.53 -2.01 115.31 117.52 1ouu h LEU 102 Ca 0.00 0.03 0.15 0.00 0.84 0.00 0.00 57.88 58.91 1ouu h LEU 102 Cb 0.43 0.13 -0.10 0.00 0.37 0.00 0.00 40.66 41.50 1ouu h LEU 102 CO 0.00 -0.24 0.32 0.28 -0.34 0.00 0.00 178.44 178.46 1ouu h SER 103 N -0.35 0.30 -0.71 1.25 0.02 -1.53 -0.16 113.55 112.37 1ouu h SER 103 Ca -0.01 0.11 -0.05 0.00 -0.84 0.00 0.00 61.79 61.00 1ouu h SER 103 Cb 0.32 0.09 -0.03 0.00 0.14 0.00 0.00 62.40 62.91 1ouu h SER 103 CO -0.02 0.10 0.23 -0.74 -1.14 0.00 0.00 176.83 175.27 1ouu h HIS 104 N 0.45 1.13 0.00 3.45 -0.00 -0.91 -2.50 115.15 116.78 1ouu h HIS 104 Ca 0.43 -0.11 -0.08 0.00 -0.00 0.00 0.00 60.37 60.61 1ouu h HIS 104 Cb 0.66 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 27.73 1ouu h HIS 104 CO -0.16 0.90 -0.39 -0.91 -0.00 0.00 0.00 177.93 177.37 1ouu h ASN 105 N 1.04 0.00 -0.05 3.26 2.35 -0.32 -0.35 115.58 121.51 1ouu h ASN 105 Ca 0.23 0.00 -0.18 0.00 -0.55 0.00 0.00 56.30 55.80 1ouu h ASN 105 Cb 0.29 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.66 1ouu h ASN 105 CO -0.01 0.39 -0.60 0.40 -1.65 0.00 0.00 177.43 175.96 1ouu h ILE 106 N 0.00 1.31 -0.26 2.81 2.04 -1.08 -2.48 117.51 119.85 1ouu h ILE 106 Ca -0.00 -1.85 -0.10 0.00 1.00 0.00 0.00 64.86 63.91 1ouu h ILE 106 Cb 0.75 1.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.62 1ouu h ILE 106 CO 0.05 0.58 -0.27 -0.07 0.00 0.00 0.00 178.15 178.44 1ouu h LEU 107 N 0.49 0.51 -0.85 1.44 3.38 -0.99 -2.11 115.31 117.18 1ouu h LEU 107 Ca -0.00 -0.18 -0.08 0.00 0.09 0.00 0.00 57.88 57.70 1ouu h LEU 107 Cb 1.18 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 41.77 1ouu h LEU 107 CO 0.12 0.77 -0.05 0.58 0.09 0.00 0.00 178.44 179.95 1ouu h VAL 108 N 0.44 1.25 0.00 1.22 2.07 -0.89 -2.76 116.25 117.58 1ouu h VAL 108 Ca 0.06 -1.09 -0.14 0.00 0.82 0.00 0.00 66.70 66.36 1ouu h VAL 108 Cb 0.71 0.95 -0.02 0.00 -1.52 0.00 0.00 31.29 31.41 1ouu h VAL 108 CO 0.05 0.38 -0.65 0.74 0.02 0.00 0.00 177.57 178.11 1ouu h THR 109 N 0.74 1.24 -0.15 2.57 2.02 -1.18 -2.12 112.91 116.02 1ouu h THR 109 Ca 0.13 -2.41 -0.11 0.00 0.77 0.00 0.00 66.41 64.79 1ouu h THR 109 Cb 0.52 2.39 0.00 0.00 -1.74 0.00 0.00 68.15 69.32 1ouu h THR 109 CO 0.03 0.64 -0.35 -0.07 0.37 0.00 0.00 175.52 176.13 1ouu h LEU 110 N 0.00 0.57 -0.07 2.58 3.38 -1.33 -0.88 115.31 119.54 1ouu h LEU 110 Ca -0.01 -0.57 -0.00 0.00 0.09 0.00 0.00 57.88 57.39 1ouu h LEU 110 Cb 1.34 -0.16 -0.00 0.00 0.09 0.00 0.00 40.66 41.92 1ouu h LEU 110 CO 0.08 1.03 0.03 0.00 0.09 0.00 0.00 178.44 179.68 1ouu h ALA 111 N 0.55 0.10 -0.12 1.53 0.00 -1.48 1.15 119.26 120.98 1ouu h ALA 111 Ca -0.00 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.85 1ouu h ALA 111 Cb 0.96 -0.03 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 1ouu h ALA 111 CO 0.08 -0.31 -0.17 0.82 0.00 0.00 0.00 179.25 179.66 1ouu h ILE 112 N -0.05 0.55 0.00 0.00 2.04 -1.36 -2.33 117.51 116.37 1ouu h ILE 112 Ca 0.02 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.79 1ouu h ILE 112 Cb 0.18 0.55 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1ouu h ILE 112 CO -0.00 0.00 -0.47 0.45 0.00 0.00 0.00 178.15 178.13 1ouu h HIS 113 N -0.22 0.00 -2.02 1.37 3.86 -0.90 -3.39 115.15 113.85 1ouu h HIS 113 Ca 0.09 0.00 -0.51 0.00 -1.16 0.00 0.00 60.37 58.80 1ouu h HIS 113 Cb 0.36 0.00 -0.40 0.00 1.06 0.00 0.00 27.41 28.43 1ouu h HIS 113 CO -0.28 0.47 -1.13 1.19 0.86 0.00 0.00 177.93 179.03 1ouu n PHE 114 N -3.25 0.35 0.26 2.45 3.01 0.39 -4.96 117.46 115.71 1ouu n PHE 114 Ca 0.02 -3.78 0.10 0.00 1.01 0.00 0.00 57.45 54.80 1ouu n PHE 114 Cb 0.70 -0.41 0.68 0.00 -0.01 0.00 0.00 39.48 40.44 1ouu n PHE 114 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 1ouu h PRO 115 N 3.26 0.00 0.20 -1.08 0.13 -1.57 0.19 132.00 133.13 1ouu h PRO 115 Ca 0.10 0.00 -0.34 0.00 -0.87 0.00 0.00 66.00 64.89 1ouu h PRO 115 Cb 0.91 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.06 1ouu h PRO 115 CO 0.52 0.08 -1.63 0.77 -0.23 0.00 0.00 178.00 177.50 1ouu h SER 116 N 0.00 0.65 1.01 1.44 0.02 -1.93 -3.37 113.55 111.38 1ouu h SER 116 Ca -0.00 -0.86 -0.21 0.00 -0.84 0.00 0.00 61.79 59.88 1ouu h SER 116 Cb 0.16 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.46 1ouu h SER 116 CO 0.01 1.71 -0.99 0.44 -1.14 0.00 0.00 176.83 176.86 1ouu h ASP 117 N 0.11 0.00 -0.06 3.07 5.19 -1.93 -3.38 116.42 119.43 1ouu h ASP 117 Ca -0.30 0.00 -0.70 0.00 -0.62 0.00 0.00 57.03 55.41 1ouu h ASP 117 Cb 2.11 0.00 -0.03 0.00 0.18 0.00 0.00 39.33 41.59 1ouu h ASP 117 CO 0.21 0.97 3.28 0.33 -3.12 0.00 0.00 179.24 180.90 1ouu n PHE 118 N -3.33 3.23 -1.81 4.55 7.35 0.66 -4.75 117.46 123.36 1ouu n PHE 118 Ca -0.01 -3.00 -0.31 0.00 -0.76 0.00 0.00 57.45 53.37 1ouu n PHE 118 Cb 0.93 -2.52 0.03 0.00 0.35 0.00 0.00 39.48 38.27 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 2.80 4.30 0.21 -2.13 -4.23 -1.26 -4.82 115.64 110.52 1ouu s THR 119 Ca 0.53 0.75 -0.09 0.00 -1.18 0.00 0.00 61.69 61.69 1ouu s THR 119 Cb 0.15 -3.69 0.15 0.00 1.34 0.00 0.00 72.50 70.45 1ouu s THR 119 CO -0.08 -0.98 1.74 -0.65 -0.54 0.00 0.00 174.62 174.11 1ouu h PRO 120 N -0.48 0.39 0.00 3.99 0.11 -1.97 0.29 132.00 134.33 1ouu h PRO 120 Ca -0.44 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.62 1ouu h PRO 120 Cb 1.21 -0.09 -0.00 0.00 0.11 0.00 0.00 31.00 32.23 1ouu h PRO 120 CO 0.61 0.26 -0.14 0.93 -0.21 0.00 0.00 178.00 179.45 1ouu h GLU 121 N 0.40 0.00 0.02 1.05 3.07 -1.96 -1.06 114.58 116.09 1ouu h GLU 121 Ca 0.32 0.00 -0.23 0.00 -0.50 0.00 0.00 59.36 58.95 1ouu h GLU 121 Cb 0.41 0.00 -0.03 0.00 -0.84 0.00 0.00 28.75 28.29 1ouu h GLU 121 CO -0.32 0.14 -1.14 0.28 -1.40 0.00 0.00 179.01 176.57 1ouu h VAL 122 N 0.00 1.56 0.04 3.13 2.07 -0.85 -3.33 116.25 118.87 1ouu h VAL 122 Ca -0.00 -3.28 -0.00 0.00 0.82 0.00 0.00 66.70 64.24 1ouu h VAL 122 Cb 0.40 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.96 1ouu h VAL 122 CO 0.02 0.90 -0.02 -0.74 0.02 0.00 0.00 177.57 177.75 1ouu h HIS 123 N 0.01 -0.05 -0.38 1.57 6.17 0.36 -1.78 115.15 121.05 1ouu h HIS 123 Ca -0.07 -0.00 0.08 0.00 0.71 0.00 0.00 60.37 61.09 1ouu h HIS 123 Cb 1.83 0.02 -0.08 0.00 2.52 0.00 0.00 27.41 31.70 1ouu h HIS 123 CO 0.01 0.08 -0.12 0.82 0.71 0.00 0.00 177.93 179.42 1ouu h ILE 124 N -0.16 0.56 -0.16 6.26 1.08 -1.43 0.12 117.51 123.78 1ouu h ILE 124 Ca -0.01 0.00 -0.14 0.00 -0.39 0.00 0.00 64.86 64.33 1ouu h ILE 124 Cb 0.15 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 34.45 1ouu h ILE 124 CO 0.01 0.00 -0.49 0.00 -0.69 0.00 0.00 178.15 176.98 1ouu h ALA 125 N 1.32 0.86 0.05 1.87 0.00 -1.64 -2.11 119.26 119.61 1ouu h ALA 125 Ca 0.19 -0.48 -0.26 0.00 0.00 0.00 0.00 54.91 54.36 1ouu h ALA 125 Cb 0.32 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.03 1ouu h ALA 125 CO -0.41 0.66 -1.08 0.28 0.00 0.00 0.00 179.25 178.70 1ouu h VAL 126 N 0.34 1.38 0.60 0.00 2.07 -1.01 -2.07 116.25 117.57 1ouu h VAL 126 Ca 0.02 -2.56 -0.02 0.00 0.82 0.00 0.00 66.70 64.96 1ouu h VAL 126 Cb 0.98 2.58 -0.02 0.00 -1.52 0.00 0.00 31.29 33.32 1ouu h VAL 126 CO 0.09 0.76 -0.48 -0.78 0.02 0.00 0.00 177.57 177.18 1ouu h ASP 127 N 0.22 -1.28 -0.90 0.57 3.58 -1.01 -0.66 116.42 116.94 1ouu h ASP 127 Ca -0.12 0.09 0.18 0.00 0.42 0.00 0.00 57.03 57.61 1ouu h ASP 127 Cb 1.74 0.40 -0.11 0.00 1.72 0.00 0.00 39.33 43.09 1ouu h ASP 127 CO 0.19 -0.68 0.47 0.11 -2.88 0.00 0.00 179.24 176.45 1ouu h LYS 128 N -1.06 0.56 -0.40 0.28 1.57 -1.42 0.23 116.57 116.34 1ouu h LYS 128 Ca -0.08 -0.03 -0.14 0.00 -1.87 0.00 0.00 60.65 58.53 1ouu h LYS 128 Cb 0.89 -0.13 -0.01 0.00 0.08 0.00 0.00 32.23 33.06 1ouu h LYS 128 CO 0.00 0.37 -0.29 0.35 -0.57 0.00 0.00 179.45 179.32 1ouu h PHE 129 N 0.58 1.05 -0.26 -1.35 3.57 -1.02 -2.27 116.94 117.24 1ouu h PHE 129 Ca 0.53 -0.29 -0.09 0.00 3.53 0.00 0.00 57.97 61.65 1ouu h PHE 129 Cb 0.86 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.36 1ouu h PHE 129 CO -0.08 1.09 -0.22 -0.07 -2.23 0.00 0.00 178.31 176.80 1ouu h LEU 130 N 0.71 0.49 -0.53 0.59 4.07 -0.12 -0.56 115.31 119.96 1ouu h LEU 130 Ca 0.08 -0.16 -0.16 0.00 0.08 0.00 0.00 57.88 57.72 1ouu h LEU 130 Cb 0.87 -0.13 -0.01 0.00 1.08 0.00 0.00 40.66 42.47 1ouu h LEU 130 CO 0.08 0.72 -0.52 0.00 -1.08 0.00 0.00 178.44 177.63 1ouu h ALA 131 N 1.33 0.71 0.00 1.53 0.00 -0.94 -2.28 119.26 119.62 1ouu h ALA 131 Ca 0.07 -0.50 -0.10 0.00 0.00 0.00 0.00 54.91 54.38 1ouu h ALA 131 Cb 0.63 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 1ouu h ALA 131 CO 0.04 0.68 -0.46 0.00 0.00 0.00 0.00 179.25 179.52 1ouu h ALA 132 N 0.98 0.95 0.08 0.00 0.00 -1.08 0.15 119.26 120.34 1ouu h ALA 132 Ca 0.01 -0.42 -0.25 0.00 0.00 0.00 0.00 54.91 54.26 1ouu h ALA 132 Cb 1.06 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.78 1ouu h ALA 132 CO 0.10 0.57 -1.13 0.28 0.00 0.00 0.00 179.25 179.07 1ouu h VAL 133 N 0.00 1.50 -0.30 0.00 2.07 -0.98 -2.60 116.25 115.95 1ouu h VAL 133 Ca -0.00 -2.93 -0.17 0.00 0.82 0.00 0.00 66.70 64.42 1ouu h VAL 133 Cb 1.00 2.79 -0.00 0.00 -1.52 0.00 0.00 31.29 33.56 1ouu h VAL 133 CO 0.06 0.86 -0.46 0.28 0.02 0.00 0.00 177.57 178.33 1ouu h SER 134 N 0.10 0.92 0.69 0.57 0.02 -1.12 -2.45 113.55 112.27 1ouu h SER 134 Ca -0.11 -0.51 -0.10 0.00 -0.84 0.00 0.00 61.79 60.23 1ouu h SER 134 Cb 1.83 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 64.10 1ouu h SER 134 CO 0.18 1.26 -0.49 0.00 -1.14 0.00 0.00 176.83 176.64 1ouu h ALA 135 N 0.69 1.03 -0.22 3.77 0.00 -0.74 -2.13 119.26 121.65 1ouu h ALA 135 Ca 0.03 -0.44 -0.14 0.00 0.00 0.00 0.00 54.91 54.36 1ouu h ALA 135 Cb 1.06 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1ouu h ALA 135 CO 0.11 0.61 -0.39 0.00 0.00 0.00 0.00 179.25 179.57 1ouu h ALA 136 N 1.51 0.35 -0.27 0.00 0.00 -1.36 -3.19 119.26 116.29 1ouu h ALA 136 Ca -0.00 -0.45 -0.03 0.00 0.00 0.00 0.00 54.91 54.43 1ouu h ALA 136 Cb 0.96 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.67 1ouu h ALA 136 CO 0.06 0.44 0.04 -0.07 0.00 0.00 0.00 179.25 179.73 1ouu h LEU 137 N 0.36 0.36 -1.28 0.00 3.38 -1.33 -2.56 115.31 114.25 1ouu h LEU 137 Ca 0.01 -0.05 0.00 0.00 0.09 0.00 0.00 57.88 57.94 1ouu h LEU 137 Cb 0.99 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.65 1ouu h LEU 137 CO 0.09 0.39 0.00 0.00 0.09 0.00 0.00 178.44 179.01 1ouu n ALA 138 N -2.49 2.45 -0.18 1.53 0.00 -0.81 -4.39 120.51 116.61 1ouu n ALA 138 Ca 0.01 -0.61 -0.08 0.00 0.00 0.00 0.00 53.44 52.76 1ouu n ALA 138 Cb 0.18 -0.98 0.01 0.00 0.00 0.00 0.00 19.45 18.67 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 2.05 0.75 -0.21 0.00 3.58 -1.46 -3.27 116.42 117.87 1ouu h ASP 139 Ca 0.00 -0.20 0.00 0.00 0.42 0.00 0.00 57.03 57.25 1ouu h ASP 139 Cb 0.47 -0.20 0.00 0.00 1.72 0.00 0.00 39.33 41.32 1ouu h ASP 139 CO 0.00 0.75 0.00 0.29 -2.88 0.00 0.00 179.24 177.40 1ouu n LYS 140 N -4.49 1.72 -0.00 0.28 4.76 -1.26 -4.46 118.16 114.71 1ouu n LYS 140 Ca 0.02 -0.85 -0.09 0.00 -2.87 0.00 0.00 58.31 54.53 1ouu n LYS 140 Cb 0.19 -1.35 0.07 0.00 -1.84 0.00 0.00 35.03 32.11 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 1.27 0.70 0.00 2.13 -1.99 -1.88 -3.47 116.97 113.73 1ouu h TYR 141 Ca 0.00 -0.23 0.00 0.00 2.00 0.00 0.00 58.73 60.50 1ouu h TYR 141 Cb 0.50 -0.14 0.00 0.00 2.00 0.00 0.00 36.73 39.09 1ouu h TYR 141 CO 0.21 0.95 0.00 2.89 -0.00 0.00 0.00 178.16 182.20