#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywa s SER 3 N 0.00 5.63 -0.03 0.00 0.15 -1.26 -4.99 113.70 113.19 2ywa s SER 3 Ca 0.00 0.10 -0.25 0.00 0.70 0.00 0.00 55.95 56.50 2ywa s SER 3 Cb 0.00 -1.93 -0.20 0.00 -1.71 0.00 0.00 66.02 62.18 2ywa s SER 3 CO 0.00 0.20 1.16 0.25 1.20 0.00 0.00 173.24 176.05 2ywa h LEU 4 N 6.48 -0.06 -1.00 3.45 5.85 -1.98 -2.10 115.31 125.95 2ywa h LEU 4 Ca -0.39 -0.47 0.29 0.00 0.84 0.00 0.00 57.88 58.15 2ywa h LEU 4 Cb 1.17 0.02 -0.14 0.00 0.37 0.00 0.00 40.66 42.08 2ywa h LEU 4 CO 0.69 0.46 0.57 0.00 -0.34 0.00 0.00 178.44 179.81 2ywa h ALA 5 N 0.26 1.86 -0.22 1.25 0.00 -1.99 0.29 119.26 120.71 2ywa h ALA 5 Ca -0.01 0.16 -0.16 0.00 0.00 0.00 0.00 54.91 54.91 2ywa h ALA 5 Cb 0.53 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ywa h ALA 5 CO 0.01 -0.44 -0.48 -0.09 0.00 0.00 0.00 179.25 178.25 2ywa h ARG 6 N 0.43 0.71 -0.32 0.00 9.65 -1.95 -2.52 114.38 120.38 2ywa h ARG 6 Ca 0.69 -0.47 -0.07 0.00 -1.10 0.00 0.00 59.98 59.03 2ywa h ARG 6 Cb 1.46 0.06 -0.02 0.00 -1.39 0.00 0.00 29.97 30.09 2ywa h ARG 6 CO -0.55 1.10 -0.08 0.00 2.80 0.00 0.00 179.97 183.23 2ywa h ALA 7 N 0.61 1.27 -0.39 2.80 0.00 -0.06 -1.66 119.26 121.83 2ywa h ALA 7 Ca 0.00 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.62 2ywa h ALA 7 Cb 1.09 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2ywa h ALA 7 CO 0.11 0.49 0.07 0.28 0.00 0.00 0.00 179.25 180.20 2ywa h VAL 8 N 0.50 1.24 -0.54 0.00 2.07 -0.55 -2.50 116.25 116.46 2ywa h VAL 8 Ca 0.10 -0.84 0.06 0.00 0.82 0.00 0.00 66.70 66.85 2ywa h VAL 8 Cb 0.44 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.21 2ywa h VAL 8 CO 0.02 0.29 0.36 -0.08 0.02 0.00 0.00 177.57 178.18 2ywa h GLU 9 N 0.49 0.47 -0.06 1.57 4.81 -0.96 -0.38 114.58 120.53 2ywa h GLU 9 Ca 0.12 -0.03 -0.11 0.00 -0.13 0.00 0.00 59.36 59.21 2ywa h GLU 9 Cb 0.35 -0.11 -0.01 0.00 0.63 0.00 0.00 28.75 29.61 2ywa h GLU 9 CO 0.01 0.31 -0.46 0.00 -0.73 0.00 0.00 179.01 178.13 2ywa h ARG 10 N 0.48 0.13 -0.03 1.92 3.08 -0.90 -1.92 114.38 117.14 2ywa h ARG 10 Ca 0.24 -0.07 -0.14 0.00 0.07 0.00 0.00 59.98 60.08 2ywa h ARG 10 Cb 0.32 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.38 2ywa h ARG 10 CO -0.06 0.57 -0.51 1.25 -1.07 0.00 0.00 179.97 180.14 2ywa h LEU 11 N 0.11 0.51 -0.39 3.04 5.85 -0.78 -2.91 115.31 120.73 2ywa h LEU 11 Ca 0.01 -0.72 0.07 0.00 0.84 0.00 0.00 57.88 58.07 2ywa h LEU 11 Cb 0.86 -0.15 -0.06 0.00 0.37 0.00 0.00 40.66 41.68 2ywa h LEU 11 CO 0.07 1.15 0.04 0.50 -0.34 0.00 0.00 178.44 179.86 2ywa h LYS 12 N -0.10 0.15 0.28 1.25 3.64 -1.07 -0.89 116.57 119.83 2ywa h LYS 12 Ca -0.05 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2ywa h LYS 12 Cb 1.20 -0.03 -0.03 0.00 -0.41 0.00 0.00 32.23 32.95 2ywa h LYS 12 CO 0.10 0.10 -0.43 0.00 -2.27 0.00 0.00 179.45 176.95 2ywa h ALA 13 N 1.32 -0.87 -0.18 5.00 0.00 -1.37 0.26 119.26 123.41 2ywa h ALA 13 Ca 0.19 -0.12 0.05 0.00 0.00 0.00 0.00 54.91 55.03 2ywa h ALA 13 Cb 0.25 0.68 -0.01 0.00 0.00 0.00 0.00 17.79 18.71 2ywa h ALA 13 CO -0.28 -1.04 0.16 0.00 0.00 0.00 0.00 179.25 178.09 2ywa h ALA 14 N -0.40 1.97 0.00 0.00 0.00 -1.26 -1.06 119.26 118.51 2ywa h ALA 14 Ca -0.01 -0.01 -0.13 0.00 0.00 0.00 0.00 54.91 54.76 2ywa h ALA 14 Cb 0.73 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.52 2ywa h ALA 14 CO -0.16 -0.25 -0.60 -0.07 0.00 0.00 0.00 179.25 178.16 2ywa h LEU 15 N 0.00 0.00 0.02 0.00 3.38 0.32 -3.29 115.31 115.74 2ywa h LEU 15 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.78 2ywa h LEU 15 Cb 0.40 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.18 2ywa h LEU 15 CO -0.00 0.60 -1.11 -0.33 0.09 0.00 0.00 178.44 177.70 2ywa h GLU 16 N 0.00 0.63 -6.80 1.13 5.08 0.32 -3.46 114.58 111.49 2ywa h GLU 16 Ca -0.01 -0.74 -0.57 0.00 -1.00 0.00 0.00 59.36 57.05 2ywa h GLU 16 Cb 1.34 0.22 0.12 0.00 0.50 0.00 0.00 28.75 30.94 2ywa h GLU 16 CO 0.08 1.32 0.46 0.54 -1.00 0.00 0.00 179.01 180.41 2ywa n ARG 17 N -3.81 1.91 -1.71 2.33 1.74 -1.06 -4.89 116.66 111.17 2ywa n ARG 17 Ca -0.11 0.68 -0.43 0.00 -0.77 0.00 0.00 57.85 57.21 2ywa n ARG 17 Cb 0.92 -2.34 -0.02 0.00 -1.02 0.00 0.00 32.46 30.00 2ywa n ARG 17 CO 0.00 0.00 0.00 -0.35 -1.52 0.00 0.00 177.63 175.76 2ywa n PRO 18 N 0.14 2.29 -1.82 5.56 -0.04 -1.26 -4.93 135.00 134.94 2ywa n PRO 18 Ca 0.06 0.81 -0.33 0.00 -0.04 0.00 0.00 63.50 64.01 2ywa n PRO 18 Cb 0.39 -2.49 0.04 0.00 -0.04 0.00 0.00 33.50 31.40 2ywa n PRO 18 CO 0.00 0.00 0.00 0.21 -0.04 0.00 0.00 175.50 175.67 2ywa s LYS 19 N -0.97 2.93 -0.03 0.54 2.20 -1.26 -4.93 119.74 118.22 2ywa s LYS 19 Ca 0.62 1.34 -0.30 0.00 -0.36 0.00 0.00 55.97 57.27 2ywa s LYS 19 Cb -0.57 -1.97 0.11 0.00 -1.51 0.00 0.00 37.83 33.89 2ywa s LYS 19 CO 0.54 -1.14 1.31 0.16 -0.36 0.00 0.00 175.35 175.86 2ywa s ASP 20 N -2.65 -0.02 0.10 1.43 1.47 -1.26 -5.01 116.67 110.73 2ywa s ASP 20 Ca 0.66 -0.15 -0.30 0.00 1.18 0.00 0.00 52.55 53.94 2ywa s ASP 20 Cb -0.19 0.13 -0.13 0.00 -0.34 0.00 0.00 42.92 42.39 2ywa s ASP 20 CO 0.41 -0.25 1.62 1.05 0.68 0.00 0.00 175.17 178.67 2ywa h GLU 21 N 2.00 -0.66 -0.47 2.11 4.11 -1.98 0.17 114.58 119.86 2ywa h GLU 21 Ca -0.27 0.04 0.08 0.00 0.07 0.00 0.00 59.36 59.29 2ywa h GLU 21 Cb 1.19 0.15 -0.07 0.00 0.50 0.00 0.00 28.75 30.52 2ywa h GLU 21 CO 0.30 -0.44 0.07 0.74 0.07 0.00 0.00 179.01 179.75 2ywa h PHE 22 N -0.68 0.11 -0.57 2.06 0.04 -1.99 0.23 116.94 116.14 2ywa h PHE 22 Ca -0.02 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.75 2ywa h PHE 22 Cb 0.63 0.02 -0.02 0.00 2.20 0.00 0.00 35.95 38.78 2ywa h PHE 22 CO -0.21 -0.03 0.22 0.82 -0.60 0.00 0.00 178.31 178.51 2ywa h ILE 23 N 0.20 1.23 0.26 -0.55 1.08 -1.88 -0.80 117.51 117.04 2ywa h ILE 23 Ca 0.24 -0.72 -0.00 0.00 -0.39 0.00 0.00 64.86 63.98 2ywa h ILE 23 Cb 0.32 0.64 -0.03 0.00 -3.07 0.00 0.00 36.82 34.68 2ywa h ILE 23 CO -0.33 0.28 -0.41 -0.09 -0.69 0.00 0.00 178.15 176.91 2ywa h ARG 24 N 0.78 -0.68 -0.88 2.37 2.43 0.10 -0.36 114.38 118.14 2ywa h ARG 24 Ca 0.19 0.05 0.15 0.00 -0.81 0.00 0.00 59.98 59.55 2ywa h ARG 24 Cb 0.22 0.15 -0.07 0.00 -0.42 0.00 0.00 29.97 29.85 2ywa h ARG 24 CO -0.01 -0.45 0.57 -0.44 -1.51 0.00 0.00 179.97 178.13 2ywa h ASP 25 N -0.70 0.62 0.79 -3.80 3.32 -0.52 -0.17 116.42 115.97 2ywa h ASP 25 Ca -0.03 0.04 -0.07 0.00 0.02 0.00 0.00 57.03 56.99 2ywa h ASP 25 Cb 0.65 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.11 2ywa h ASP 25 CO -0.13 0.30 -0.34 0.77 -1.72 0.00 0.00 179.24 178.12 2ywa h SER 26 N 0.65 0.00 0.19 6.45 4.64 -0.51 -1.61 113.55 123.37 2ywa h SER 26 Ca 0.45 0.00 -0.20 0.00 -0.47 0.00 0.00 61.79 61.56 2ywa h SER 26 Cb 0.77 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.86 2ywa h SER 26 CO -0.20 0.34 -0.80 0.00 -0.87 0.00 0.00 176.83 175.31 2ywa h ALA 27 N 1.66 0.48 0.04 5.18 0.00 0.67 -1.48 119.26 125.80 2ywa h ALA 27 Ca -0.00 -0.63 -0.00 0.00 0.00 0.00 0.00 54.91 54.27 2ywa h ALA 27 Cb 0.83 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.58 2ywa h ALA 27 CO 0.04 0.76 -0.02 0.82 0.00 0.00 0.00 179.25 180.86 2ywa h ILE 28 N 0.32 1.06 0.00 0.00 2.04 -0.98 -1.83 117.51 118.12 2ywa h ILE 28 Ca -0.05 -0.31 -0.01 0.00 1.00 0.00 0.00 64.86 65.49 2ywa h ILE 28 Cb 1.40 1.27 -0.00 0.00 -0.74 0.00 0.00 36.82 38.74 2ywa h ILE 28 CO 0.14 0.08 -0.04 -0.61 0.00 0.00 0.00 178.15 177.72 2ywa h GLN 29 N -0.18 0.00 0.00 2.37 -0.00 -1.23 0.99 115.11 117.05 2ywa h GLN 29 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.65 2ywa h GLN 29 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.65 2ywa h GLN 29 CO 0.01 0.04 -0.13 0.54 0.00 0.00 0.00 178.83 179.29 2ywa n ARG 30 N -4.48 0.04 0.01 1.69 1.74 -0.56 -2.95 116.66 112.15 2ywa n ARG 30 Ca -0.03 0.03 -0.18 0.00 -0.77 0.00 0.00 57.85 56.89 2ywa n ARG 30 Cb 0.13 -1.54 -0.14 0.00 -1.02 0.00 0.00 32.46 29.89 2ywa n ARG 30 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 2ywa h PHE 31 N 0.00 0.40 -0.94 -1.55 3.57 -0.04 -2.57 116.94 115.81 2ywa h PHE 31 Ca 0.00 -0.29 0.08 0.00 3.53 0.00 0.00 57.97 61.29 2ywa h PHE 31 Cb 0.53 -0.02 -0.07 0.00 2.79 0.00 0.00 35.95 39.19 2ywa h PHE 31 CO 0.00 1.56 0.59 1.49 -2.23 0.00 0.00 178.31 179.72 2ywa h GLU 32 N 0.06 1.00 0.00 1.11 4.81 -0.89 -1.54 114.58 119.13 2ywa h GLU 32 Ca -0.36 -0.06 -0.31 0.00 -0.13 0.00 0.00 59.36 58.50 2ywa h GLU 32 Cb 2.04 -0.22 -0.06 0.00 0.63 0.00 0.00 28.75 31.14 2ywa h GLU 32 CO 0.11 0.66 -1.94 1.97 -0.73 0.00 0.00 179.01 179.07 2ywa n PHE 33 N -4.59 0.61 0.20 0.92 -1.74 -1.18 -3.35 117.46 108.33 2ywa n PHE 33 Ca 0.15 0.22 0.05 0.00 -0.56 0.00 0.00 57.45 57.31 2ywa n PHE 33 Cb 0.23 -1.10 0.43 0.00 1.52 0.00 0.00 39.48 40.57 2ywa n PHE 33 CO 0.00 0.00 0.00 0.00 -0.56 0.00 0.00 176.76 176.20 2ywa h THR 34 N 0.00 1.06 0.03 1.97 1.03 -1.35 -1.87 112.91 113.78 2ywa h THR 34 Ca -0.37 -1.14 -0.22 0.00 -0.01 0.00 0.00 66.41 64.67 2ywa h THR 34 Cb 2.05 1.64 -0.00 0.00 -1.07 0.00 0.00 68.15 70.77 2ywa h THR 34 CO 0.06 0.31 -0.98 0.15 -0.01 0.00 0.00 175.52 175.04 2ywa h PHE 35 N 0.00 0.43 -0.56 0.00 3.04 -1.41 -2.57 116.94 115.88 2ywa h PHE 35 Ca -0.00 -0.25 -0.07 0.00 3.98 0.00 0.00 57.97 61.62 2ywa h PHE 35 Cb 0.62 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 39.06 2ywa h PHE 35 CO 0.00 1.10 0.07 1.49 -2.02 0.00 0.00 178.31 178.95 2ywa h GLU 36 N 0.14 0.90 -0.06 1.11 4.57 -1.42 -2.12 114.58 117.70 2ywa h GLU 36 Ca -0.07 -0.23 -0.14 0.00 -1.18 0.00 0.00 59.36 57.74 2ywa h GLU 36 Cb 1.64 -0.11 -0.01 0.00 -0.16 0.00 0.00 28.75 30.10 2ywa h GLU 36 CO 0.16 0.85 -0.59 -0.07 -1.18 0.00 0.00 179.01 178.19 2ywa h LEU 37 N 0.85 0.22 -0.30 1.64 3.38 -1.35 -2.81 115.31 116.95 2ywa h LEU 37 Ca 0.17 -0.12 -0.02 0.00 0.09 0.00 0.00 57.88 58.00 2ywa h LEU 37 Cb 0.41 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.08 2ywa h LEU 37 CO 0.01 0.76 0.11 0.00 0.09 0.00 0.00 178.44 179.41 2ywa h ALA 38 N 1.25 0.38 -0.05 1.53 0.00 -0.98 -0.84 119.26 120.55 2ywa h ALA 38 Ca -0.00 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.58 2ywa h ALA 38 Cb 1.07 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.74 2ywa h ALA 38 CO 0.09 -0.01 -0.80 0.11 0.00 0.00 0.00 179.25 178.64 2ywa h TRP 39 N 0.32 0.52 0.00 0.00 5.08 -1.44 -2.00 115.95 118.43 2ywa h TRP 39 Ca 0.10 -0.25 -0.00 0.00 1.08 0.00 0.00 58.89 59.82 2ywa h TRP 39 Cb 0.20 -0.07 -0.00 0.00 -3.00 0.00 0.00 29.16 26.29 2ywa h TRP 39 CO -0.00 1.03 -0.01 0.87 -1.28 0.00 0.00 178.44 179.04 2ywa h LYS 40 N 0.24 0.00 0.03 0.12 1.57 -1.38 0.10 116.57 117.25 2ywa h LYS 40 Ca -0.04 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.48 2ywa h LYS 40 Cb 1.40 0.00 -0.03 0.00 0.08 0.00 0.00 32.23 33.68 2ywa h LYS 40 CO 0.14 0.01 -1.30 1.15 -0.57 0.00 0.00 179.45 178.87 2ywa h THR 41 N 0.00 1.37 -0.00 -0.16 2.02 -0.79 -2.56 112.91 112.78 2ywa h THR 41 Ca -0.00 -3.09 -0.00 0.00 0.77 0.00 0.00 66.41 64.09 2ywa h THR 41 Cb 0.38 2.72 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 2ywa h THR 41 CO 0.00 0.81 -0.00 -0.07 0.37 0.00 0.00 175.52 176.63 2ywa h LEU 42 N 0.02 0.00 -0.61 2.58 3.38 -0.63 -2.09 115.31 117.96 2ywa h LEU 42 Ca -0.13 -0.66 0.12 0.00 0.09 0.00 0.00 57.88 57.29 2ywa h LEU 42 Cb 1.89 -0.00 -0.12 0.00 0.09 0.00 0.00 40.66 42.53 2ywa h LEU 42 CO 0.13 0.66 -0.17 0.50 0.09 0.00 0.00 178.44 179.65 2ywa h LYS 43 N -0.66 -0.02 0.07 1.13 3.64 -0.91 0.65 116.57 120.47 2ywa h LYS 43 Ca -0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 2ywa h LYS 43 Cb 0.66 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.47 2ywa h LYS 43 CO 0.00 -0.01 -0.09 1.15 -2.27 0.00 0.00 179.45 178.23 2ywa h THR 44 N -0.02 0.78 -0.26 1.00 2.02 -1.45 0.34 112.91 115.32 2ywa h THR 44 Ca 0.29 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.52 2ywa h THR 44 Cb 0.46 0.78 -0.05 0.00 -1.74 0.00 0.00 68.15 67.60 2ywa h THR 44 CO -0.63 0.00 -0.06 0.15 0.37 0.00 0.00 175.52 175.35 2ywa h PHE 45 N -0.19 -0.13 -0.30 3.16 3.04 -0.24 -0.05 116.94 122.22 2ywa h PHE 45 Ca 0.01 0.02 0.04 0.00 3.98 0.00 0.00 57.97 62.03 2ywa h PHE 45 Cb 0.20 0.10 -0.04 0.00 2.56 0.00 0.00 35.95 38.77 2ywa h PHE 45 CO -0.13 -0.11 0.05 -0.07 -2.02 0.00 0.00 178.31 176.03 2ywa h LEU 46 N 0.01 -0.02 -0.72 0.59 -0.00 0.48 -0.52 115.31 115.14 2ywa h LEU 46 Ca 0.13 0.05 0.09 0.00 -0.00 0.00 0.00 57.88 58.15 2ywa h LEU 46 Cb 0.19 0.08 -0.07 0.00 -0.00 0.00 0.00 40.66 40.85 2ywa h LEU 46 CO -0.27 0.03 0.36 -0.33 -0.00 0.00 0.00 178.44 178.23 2ywa h GLU 47 N 0.15 0.60 0.00 1.13 5.08 -0.16 0.20 114.58 121.57 2ywa h GLU 47 Ca 0.14 -0.04 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 2ywa h GLU 47 Cb 0.16 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.27 2ywa h GLU 47 CO -0.20 0.39 -0.25 1.25 -1.00 0.00 0.00 179.01 179.21 2ywa h LEU 48 N 0.61 0.00 -0.08 1.33 6.46 -0.21 -0.81 115.31 122.61 2ywa h LEU 48 Ca 0.35 0.00 0.00 0.00 -0.12 0.00 0.00 57.88 58.11 2ywa h LEU 48 Cb 0.37 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 40.30 2ywa h LEU 48 CO -0.27 0.25 0.00 0.00 -0.62 0.00 0.00 178.44 177.80 2ywa n GLN 49 N -4.12 0.05 -0.76 1.25 1.13 0.63 -4.87 117.38 110.69 2ywa n GLN 49 Ca -0.02 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.22 2ywa n GLN 49 Cb 0.31 -1.57 0.00 0.00 0.11 0.00 0.00 30.24 29.09 2ywa n GLN 49 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 2ywa n GLY 50 N 0.66 1.04 3.11 1.08 0.00 -0.31 -5.08 105.19 105.69 2ywa n GLY 50 Ca 0.05 -0.45 -0.28 0.00 0.00 0.00 0.00 46.02 45.34 2ywa n GLY 50 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2ywa n LEU 51 N 0.00 0.00 -3.94 0.99 4.77 -0.77 -5.02 117.00 113.03 2ywa n LEU 51 Ca 0.00 -2.71 -0.18 0.00 -0.03 0.00 0.00 56.01 53.09 2ywa n LEU 51 Cb 0.15 0.29 -0.15 0.00 -2.33 0.00 0.00 43.42 41.37 2ywa n LEU 51 CO 0.00 -0.39 -0.41 -0.70 -1.33 0.00 0.00 177.39 174.56 2ywa s GLU 52 N -3.58 0.64 -0.06 3.23 2.12 -1.26 -3.89 118.70 115.90 2ywa s GLU 52 Ca 0.01 -0.18 -0.02 0.00 0.36 0.00 0.00 54.97 55.14 2ywa s GLU 52 Cb -0.00 -0.64 0.04 0.00 0.26 0.00 0.00 34.13 33.79 2ywa s GLU 52 CO 0.01 0.05 0.09 0.00 -0.54 0.00 0.00 175.26 174.87 2ywa s ALA 53 N 0.28 0.10 -0.21 6.30 0.00 -1.26 -4.94 121.76 122.03 2ywa s ALA 53 Ca -0.03 0.30 -0.01 0.00 0.00 0.00 0.00 51.96 52.22 2ywa s ALA 53 Cb -0.08 -0.69 -0.20 0.00 0.00 0.00 0.00 23.12 22.15 2ywa s ALA 53 CO -0.00 -0.53 -0.02 0.54 0.00 0.00 0.00 175.76 175.76 2ywa n ARG 54 N 5.31 0.69 -4.31 0.00 3.00 -1.26 -4.89 116.66 115.19 2ywa n ARG 54 Ca -0.04 0.19 -0.25 0.00 -0.01 0.00 0.00 57.85 57.75 2ywa n ARG 54 Cb 0.50 -1.59 -0.08 0.00 0.00 0.00 0.00 32.46 31.29 2ywa n ARG 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 2ywa s SER 55 N -6.71 4.23 0.16 0.55 1.04 -1.26 -5.01 113.70 106.69 2ywa s SER 55 Ca -0.31 -0.99 -0.19 0.00 0.48 0.00 0.00 55.95 54.94 2ywa s SER 55 Cb 0.08 -0.54 0.06 0.00 0.10 0.00 0.00 66.02 65.72 2ywa s SER 55 CO 0.66 -0.27 1.66 -0.65 0.98 0.00 0.00 173.24 175.62 2ywa h PRO 56 N 1.76 -0.08 -0.09 4.02 0.11 -1.95 0.44 132.00 136.20 2ywa h PRO 56 Ca -0.43 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 65.69 2ywa h PRO 56 Cb 1.25 0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.37 2ywa h PRO 56 CO 0.67 -0.05 0.05 -0.09 -0.21 0.00 0.00 178.00 178.38 2ywa h ARG 57 N -0.08 0.13 -1.00 1.05 2.43 -1.99 -0.68 114.38 114.24 2ywa h ARG 57 Ca 0.16 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 59.48 2ywa h ARG 57 Cb 0.33 -0.03 -0.10 0.00 -0.42 0.00 0.00 29.97 29.75 2ywa h ARG 57 CO -0.37 0.15 0.62 0.00 -1.51 0.00 0.00 179.97 178.86 2ywa h ALA 58 N 0.97 1.60 -0.46 2.80 0.00 -1.85 0.18 119.26 122.50 2ywa h ALA 58 Ca 0.03 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 2ywa h ALA 58 Cb 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2ywa h ALA 58 CO -0.01 0.07 -0.13 0.00 0.00 0.00 0.00 179.25 179.18 2ywa h ALA 59 N 1.60 0.90 -0.13 0.00 0.00 -0.38 0.81 119.26 122.05 2ywa h ALA 59 Ca 0.54 -0.34 -0.14 0.00 0.00 0.00 0.00 54.91 54.97 2ywa h ALA 59 Cb 0.71 -0.18 0.01 0.00 0.00 0.00 0.00 17.79 18.33 2ywa h ALA 59 CO -0.33 0.63 -0.48 0.82 0.00 0.00 0.00 179.25 179.89 2ywa h ILE 60 N 0.76 1.35 -0.85 0.00 2.04 0.43 -1.08 117.51 120.17 2ywa h ILE 60 Ca 0.12 -1.78 -0.03 0.00 1.00 0.00 0.00 64.86 64.18 2ywa h ILE 60 Cb 0.65 2.10 -0.04 0.00 -0.74 0.00 0.00 36.82 38.79 2ywa h ILE 60 CO 0.05 0.54 0.43 -0.09 0.00 0.00 0.00 178.15 179.08 2ywa h ARG 61 N 0.18 1.21 -0.60 2.37 2.43 -0.66 -1.90 114.38 117.42 2ywa h ARG 61 Ca -0.02 -0.16 -0.06 0.00 -0.81 0.00 0.00 59.98 58.92 2ywa h ARG 61 Cb 1.12 -0.23 -0.03 0.00 -0.42 0.00 0.00 29.97 30.41 2ywa h ARG 61 CO 0.10 0.91 0.14 0.78 -1.51 0.00 0.00 179.97 180.39 2ywa h GLY 62 N 1.20 1.01 0.83 2.80 0.00 -0.75 -2.14 103.07 106.03 2ywa h GLY 62 Ca 0.30 -0.60 0.03 0.00 0.00 0.00 0.00 47.33 47.05 2ywa h GLY 62 CO -0.04 0.57 0.31 0.00 0.00 0.00 0.00 176.54 177.37 2ywa h ALA 63 N 1.25 0.69 -0.23 3.60 0.00 -0.43 -1.74 119.26 122.40 2ywa h ALA 63 Ca 0.19 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.08 2ywa h ALA 63 Cb 0.33 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 2ywa h ALA 63 CO 0.00 0.01 0.06 0.74 0.00 0.00 0.00 179.25 180.06 2ywa h PHE 64 N 0.61 0.38 0.29 0.00 0.04 -1.16 -2.23 116.94 114.88 2ywa h PHE 64 Ca 0.22 -0.04 0.00 0.00 2.80 0.00 0.00 57.97 60.95 2ywa h PHE 64 Cb 0.05 -0.11 -0.02 0.00 2.20 0.00 0.00 35.95 38.07 2ywa h PHE 64 CO -0.07 0.45 -0.31 0.37 -0.60 0.00 0.00 178.31 178.16 2ywa h GLN 65 N 0.20 -0.61 0.00 1.51 4.15 -1.06 -1.94 115.11 117.36 2ywa h GLN 65 Ca 0.07 0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.54 2ywa h GLN 65 Cb 0.26 0.14 0.00 0.00 0.21 0.00 0.00 27.48 28.09 2ywa h GLN 65 CO -0.00 -0.41 0.00 1.33 -1.93 0.00 0.00 178.83 177.82 2ywa n VAL 66 N -5.42 0.25 -1.06 2.39 0.24 -0.68 -4.84 118.33 109.21 2ywa n VAL 66 Ca -0.09 0.06 -0.02 0.00 -2.04 0.00 0.00 64.34 62.25 2ywa n VAL 66 Cb 0.33 -0.89 -0.01 0.00 -1.47 0.00 0.00 33.84 31.80 2ywa n VAL 66 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2ywa n GLY 67 N -0.32 0.56 0.00 7.63 0.00 -0.73 -4.95 105.19 107.38 2ywa n GLY 67 Ca 0.07 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.48 2ywa n GLY 67 CO 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 173.32 173.22 2ywa n LEU 68 N -0.24 0.09 -4.85 0.99 7.94 -0.85 -4.77 117.00 115.32 2ywa n LEU 68 Ca -0.02 0.76 -0.34 0.00 -1.11 0.00 0.00 56.01 55.31 2ywa n LEU 68 Cb 0.09 -0.46 -0.06 0.00 0.53 0.00 0.00 43.42 43.52 2ywa n LEU 68 CO 0.03 -0.46 0.30 -0.76 -1.11 0.00 0.00 177.39 175.39 2ywa s LEU 69 N -3.78 4.21 0.61 -1.96 1.43 -1.19 -5.03 118.68 112.99 2ywa s LEU 69 Ca 0.00 1.13 -0.11 0.00 -1.03 0.00 0.00 54.13 54.12 2ywa s LEU 69 Cb 0.00 -3.66 -0.04 0.00 0.03 0.00 0.00 46.19 42.52 2ywa s LEU 69 CO 0.00 -0.05 1.02 -2.16 0.23 0.00 0.00 176.35 175.40 2ywa s PRO 70 N -2.51 3.61 -0.18 1.29 0.04 -1.26 -4.34 135.00 131.65 2ywa s PRO 70 Ca 0.46 0.74 -0.33 0.00 0.04 0.00 0.00 61.00 61.91 2ywa s PRO 70 Cb -0.13 -2.09 -0.10 0.00 0.04 0.00 0.00 34.50 32.22 2ywa s PRO 70 CO 0.20 -0.55 2.04 -1.91 0.04 0.00 0.00 177.00 176.81 2ywa n GLU 71 N -2.71 1.90 -3.42 4.56 4.07 -1.26 -4.94 120.64 118.85 2ywa n GLU 71 Ca 0.06 0.63 -0.10 0.00 -0.06 0.00 0.00 57.16 57.69 2ywa n GLU 71 Cb 0.54 -2.76 -0.09 0.00 -0.06 0.00 0.00 31.44 29.07 2ywa n GLU 71 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 2ywa s ASP 72 N 5.87 0.27 0.00 4.31 -1.08 -1.26 -5.01 116.67 119.76 2ywa s ASP 72 Ca 0.99 0.31 0.16 0.00 -0.52 0.00 0.00 52.55 53.49 2ywa s ASP 72 Cb -0.64 1.07 0.78 0.00 -1.46 0.00 0.00 42.92 42.68 2ywa s ASP 72 CO 0.47 -0.29 1.46 -0.81 0.52 0.00 0.00 175.17 176.52 2ywa n PRO 73 N 5.36 0.20 0.19 4.34 -0.04 -1.26 -2.96 135.00 140.83 2ywa n PRO 73 Ca -0.05 0.15 0.06 0.00 -0.04 0.00 0.00 63.50 63.62 2ywa n PRO 73 Cb 0.50 -1.50 0.38 0.00 -0.04 0.00 0.00 33.50 32.84 2ywa n PRO 73 CO 0.00 0.00 0.00 0.35 -0.04 0.00 0.00 175.50 175.81 2ywa h PHE 74 N 0.00 0.00 -0.32 0.54 3.57 -1.99 -2.87 116.94 115.87 2ywa h PHE 74 Ca 0.00 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.49 2ywa h PHE 74 Cb 0.17 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.89 2ywa h PHE 74 CO 0.00 0.36 0.14 -1.49 -2.23 0.00 0.00 178.31 175.09 2ywa h TRP 75 N 0.00 0.43 -0.05 0.41 4.06 -1.97 -1.22 115.95 117.60 2ywa h TRP 75 Ca -0.00 -0.01 -0.18 0.00 2.06 0.00 0.00 58.89 60.76 2ywa h TRP 75 Cb 0.78 -0.14 -0.01 0.00 -1.00 0.00 0.00 29.16 28.80 2ywa h TRP 75 CO 0.00 0.33 -0.76 -0.07 -3.56 0.00 0.00 178.44 174.38 2ywa h LEU 76 N 0.44 0.41 -1.74 -4.49 3.38 -1.74 -2.75 115.31 108.83 2ywa h LEU 76 Ca 0.11 -0.28 0.00 0.00 0.09 0.00 0.00 57.88 57.80 2ywa h LEU 76 Cb 0.07 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2ywa h LEU 76 CO -0.01 1.03 0.00 -0.62 0.09 0.00 0.00 178.44 178.92 2ywa n GLU 77 N -3.80 0.08 0.00 1.13 1.02 -0.46 -1.29 120.64 117.32 2ywa n GLU 77 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 2ywa n GLU 77 Cb 0.72 -1.35 0.00 0.00 -0.02 0.00 0.00 31.44 30.79 2ywa n GLU 77 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2ywa n LEU 79 N 0.83 0.00 0.13 -4.62 7.94 -1.04 -1.10 117.00 119.14 2ywa n LEU 79 Ca 0.00 0.00 0.01 0.00 -1.11 0.00 0.00 56.01 54.91 2ywa n LEU 79 Cb 0.04 0.00 0.32 0.00 0.53 0.00 0.00 43.42 44.31 2ywa n LEU 79 CO 0.00 0.00 0.75 -0.08 -1.11 0.00 0.00 177.39 176.95 2ywa h GLU 80 N 0.00 0.17 0.08 1.96 4.22 -1.49 -2.44 114.58 117.09 2ywa h GLU 80 Ca 0.00 -0.06 -0.17 0.00 0.08 0.00 0.00 59.36 59.21 2ywa h GLU 80 Cb 0.00 -0.01 0.02 0.00 0.50 0.00 0.00 28.75 29.26 2ywa h GLU 80 CO 0.00 0.46 -0.73 -0.07 -2.18 0.00 0.00 179.01 176.48 2ywa h LEU 81 N 0.15 0.50 -1.69 1.64 4.07 -1.38 -3.27 115.31 115.33 2ywa h LEU 81 Ca 0.02 -0.87 0.18 0.00 0.08 0.00 0.00 57.88 57.29 2ywa h LEU 81 Cb 0.61 -0.16 -0.05 0.00 1.08 0.00 0.00 40.66 42.15 2ywa h LEU 81 CO 0.04 1.32 0.53 -0.09 -1.08 0.00 0.00 178.44 179.17 2ywa h ARG 82 N -0.25 0.28 -0.00 1.13 1.12 -1.77 0.13 114.38 115.01 2ywa h ARG 82 Ca -0.12 -0.02 0.00 0.00 -1.11 0.00 0.00 59.98 58.74 2ywa h ARG 82 Cb 1.51 -0.06 0.00 0.00 -0.01 0.00 0.00 29.97 31.41 2ywa h ARG 82 CO 0.14 0.19 -0.03 0.09 -3.11 0.00 0.00 179.97 177.24 2ywa n ASN 83 N -4.44 0.53 -0.19 -3.80 3.02 -0.94 -3.61 115.26 105.83 2ywa n ASN 83 Ca 0.15 -0.96 0.09 0.00 -0.03 0.00 0.00 54.58 53.84 2ywa n ASN 83 Cb 0.65 -0.03 -0.06 0.00 -0.61 0.00 0.00 39.78 39.72 2ywa n ASN 83 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 2ywa n LEU 84 N -0.70 1.32 -0.34 3.41 4.77 0.44 -4.53 117.00 121.36 2ywa n LEU 84 Ca 0.19 -0.61 0.21 0.00 -0.03 0.00 0.00 56.01 55.77 2ywa n LEU 84 Cb 0.23 0.00 0.44 0.00 -2.33 0.00 0.00 43.42 41.76 2ywa n LEU 84 CO 0.20 0.28 1.15 0.71 -1.33 0.00 0.00 177.39 178.39 2ywa h THR 85 N 0.94 0.43 0.00 -5.08 1.35 -1.61 0.52 112.91 109.45 2ywa h THR 85 Ca 0.00 -0.16 0.00 0.00 -0.55 0.00 0.00 66.41 65.70 2ywa h THR 85 Cb 0.55 -0.07 0.00 0.00 -1.73 0.00 0.00 68.15 66.90 2ywa h THR 85 CO 0.00 0.08 0.00 -0.46 -0.25 0.00 0.00 175.52 174.89 2ywa n ASN 86 N -4.94 0.34 -1.93 5.36 0.23 -1.26 -2.61 115.26 110.45 2ywa n ASN 86 Ca 0.29 0.58 -0.14 0.00 -0.53 0.00 0.00 54.58 54.77 2ywa n ASN 86 Cb 0.87 -0.65 0.22 0.00 -2.08 0.00 0.00 39.78 38.14 2ywa n ASN 86 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 2ywa n HIS 87 N -1.87 2.48 1.45 -2.53 8.25 0.18 -4.44 115.22 118.74 2ywa n HIS 87 Ca 0.03 -1.60 0.15 0.00 -0.26 0.00 0.00 57.72 56.04 2ywa n HIS 87 Cb 0.22 -0.78 0.72 0.00 1.12 0.00 0.00 29.99 31.27 2ywa n HIS 87 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 2ywa n THR 88 N -0.86 0.00 0.22 1.59 -1.04 -1.07 -3.32 114.28 109.80 2ywa n THR 88 Ca 0.49 -0.02 0.11 0.00 -2.04 0.00 0.00 64.05 62.59 2ywa n THR 88 Cb 1.46 -0.36 0.61 0.00 -1.82 0.00 0.00 70.33 70.22 2ywa n THR 88 CO 0.00 0.00 0.00 0.10 -0.64 0.00 0.00 175.07 174.53 2ywa h TYR 89 N 0.19 0.00 -3.52 -1.42 -0.00 -1.86 -3.31 116.97 107.04 2ywa h TYR 89 Ca 0.00 0.00 -0.69 0.00 -0.00 0.00 0.00 58.73 58.04 2ywa h TYR 89 Cb 0.30 0.00 -0.18 0.00 -0.00 0.00 0.00 36.73 36.84 2ywa h TYR 89 CO 0.00 0.00 -0.15 0.34 -0.00 0.00 0.00 178.16 178.35 2ywa s ASP 90 N -3.98 6.21 0.47 0.10 3.68 -1.21 -4.98 116.67 116.97 2ywa s ASP 90 Ca -0.02 -0.66 0.21 0.00 2.13 0.00 0.00 52.55 54.21 2ywa s ASP 90 Cb 0.06 -2.24 1.17 0.00 -1.45 0.00 0.00 42.92 40.46 2ywa s ASP 90 CO 0.20 -0.63 1.98 -0.33 0.13 0.00 0.00 175.17 176.53 2ywa h GLU 91 N 8.77 0.00 0.00 4.34 5.08 -1.91 -1.96 114.58 128.90 2ywa h GLU 91 Ca -0.26 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.04 2ywa h GLU 91 Cb 1.11 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.35 2ywa h GLU 91 CO 0.82 0.19 -0.29 0.00 -1.00 0.00 0.00 179.01 178.73 2ywa h ALA 92 N 1.81 1.47 -0.02 3.43 0.00 -1.93 -2.04 119.26 121.97 2ywa h ALA 92 Ca -0.00 -0.27 -0.14 0.00 0.00 0.00 0.00 54.91 54.51 2ywa h ALA 92 Cb 0.44 -0.05 0.01 0.00 0.00 0.00 0.00 17.79 18.19 2ywa h ALA 92 CO 0.03 0.37 -0.52 1.25 0.00 0.00 0.00 179.25 180.37 2ywa h LEU 93 N 0.00 0.49 -0.75 0.00 5.85 -1.71 -2.53 115.31 116.67 2ywa h LEU 93 Ca -0.00 -0.74 0.09 0.00 0.84 0.00 0.00 57.88 58.07 2ywa h LEU 93 Cb 0.53 -0.15 -0.07 0.00 0.37 0.00 0.00 40.66 41.35 2ywa h LEU 93 CO 0.04 1.16 0.40 0.00 -0.34 0.00 0.00 178.44 179.70 2ywa h ALA 94 N 0.34 1.04 -0.44 1.25 0.00 -1.29 0.12 119.26 120.27 2ywa h ALA 94 Ca -0.06 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.82 2ywa h ALA 94 Cb 1.22 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.90 2ywa h ALA 94 CO 0.10 0.02 -0.02 0.93 0.00 0.00 0.00 179.25 180.29 2ywa h GLU 95 N 0.69 0.73 -0.72 0.00 4.39 -1.42 -0.00 114.58 118.25 2ywa h GLU 95 Ca 0.36 -0.19 -0.07 0.00 0.34 0.00 0.00 59.36 59.80 2ywa h GLU 95 Cb 0.34 -0.09 -0.03 0.00 -0.10 0.00 0.00 28.75 28.87 2ywa h GLU 95 CO -0.25 0.75 0.19 -0.09 -1.16 0.00 0.00 179.01 178.45 2ywa h ARG 96 N 0.68 1.14 0.35 2.33 2.43 -0.43 -2.25 114.38 118.62 2ywa h ARG 96 Ca 0.13 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 59.02 2ywa h ARG 96 Cb 0.45 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.84 2ywa h ARG 96 CO 0.02 0.99 -0.17 0.82 -1.51 0.00 0.00 179.97 180.12 2ywa h ILE 97 N 1.08 0.53 -0.67 1.20 1.08 -0.52 -3.29 117.51 116.92 2ywa h ILE 97 Ca 0.23 -0.67 0.13 0.00 -0.39 0.00 0.00 64.86 64.16 2ywa h ILE 97 Cb 0.35 0.81 -0.13 0.00 -3.07 0.00 0.00 36.82 34.78 2ywa h ILE 97 CO -0.00 0.11 -0.18 0.22 -0.69 0.00 0.00 178.15 177.61 2ywa h TYR 98 N -0.91 -0.38 -1.04 1.37 5.03 -0.97 0.16 116.97 120.23 2ywa h TYR 98 Ca -0.05 0.06 0.30 0.00 2.58 0.00 0.00 58.73 61.62 2ywa h TYR 98 Cb 0.53 0.27 -0.04 0.00 1.55 0.00 0.00 36.73 39.04 2ywa h TYR 98 CO 0.03 -0.29 0.75 0.00 -1.32 0.00 0.00 178.16 177.32 2ywa h ALA 99 N 1.64 2.97 -0.00 1.82 0.00 -1.47 0.19 119.26 124.42 2ywa h ALA 99 Ca 0.32 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 55.19 2ywa h ALA 99 Cb 0.50 0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.36 2ywa h ALA 99 CO -0.69 -1.27 -0.37 0.39 0.00 0.00 0.00 179.25 177.30 2ywa n GLU 100 N -4.23 0.48 -0.24 0.00 -0.58 0.56 -4.38 120.64 112.25 2ywa n GLU 100 Ca 0.22 -0.29 -0.07 0.00 -0.42 0.00 0.00 57.16 56.61 2ywa n GLU 100 Cb 1.10 -1.49 0.04 0.00 -0.57 0.00 0.00 31.44 30.52 2ywa n GLU 100 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 2ywa h LEU 101 N 0.70 0.88 -1.60 -4.62 3.38 -0.46 -2.03 115.31 111.54 2ywa h LEU 101 Ca 0.00 -0.14 0.04 0.00 0.09 0.00 0.00 57.88 57.87 2ywa h LEU 101 Cb 0.51 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.00 2ywa h LEU 101 CO 0.00 0.77 0.33 -0.65 0.09 0.00 0.00 178.44 178.98 2ywa h PRO 102 N 0.92 0.49 -0.12 1.13 0.11 -1.77 0.18 132.00 132.94 2ywa h PRO 102 Ca 0.23 -0.03 -0.09 0.00 0.11 0.00 0.00 66.00 66.22 2ywa h PRO 102 Cb 0.14 -0.11 0.00 0.00 0.11 0.00 0.00 31.00 31.14 2ywa h PRO 102 CO -0.03 0.32 -0.26 0.87 -0.21 0.00 0.00 178.00 178.69 2ywa h LYS 103 N 0.51 0.39 -0.94 1.05 1.57 -1.78 -3.02 116.57 114.35 2ywa h LYS 103 Ca 0.21 -0.26 0.08 0.00 -1.87 0.00 0.00 60.65 58.80 2ywa h LYS 103 Cb 0.19 0.04 -0.07 0.00 0.08 0.00 0.00 32.23 32.47 2ywa h LYS 103 CO -0.05 0.86 0.61 0.00 -0.57 0.00 0.00 179.45 180.30 2ywa h ALA 104 N 0.53 1.51 -0.37 3.86 0.00 -0.52 -1.26 119.26 123.01 2ywa h ALA 104 Ca 0.00 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 2ywa h ALA 104 Cb 0.86 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 2ywa h ALA 104 CO 0.06 0.33 -0.02 1.25 0.00 0.00 0.00 179.25 180.86 2ywa h LEU 105 N 1.04 0.56 -0.92 0.00 5.85 -0.67 -1.29 115.31 119.88 2ywa h LEU 105 Ca 0.42 -0.12 -0.01 0.00 0.84 0.00 0.00 57.88 59.01 2ywa h LEU 105 Cb 0.26 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 2ywa h LEU 105 CO -0.17 0.65 0.53 -0.33 -0.34 0.00 0.00 178.44 178.77 2ywa h GLU 106 N 0.56 1.26 -0.11 1.25 5.08 -1.11 -1.31 114.58 120.21 2ywa h GLU 106 Ca 0.11 -0.13 -0.15 0.00 -1.00 0.00 0.00 59.36 58.19 2ywa h GLU 106 Cb 0.39 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2ywa h GLU 106 CO 0.02 0.90 -0.60 0.00 -1.00 0.00 0.00 179.01 178.33 2ywa h ARG 107 N 1.27 0.35 -0.11 2.33 3.08 -1.11 -1.40 114.38 118.79 2ywa h ARG 107 Ca 0.33 -0.24 -0.03 0.00 0.07 0.00 0.00 59.98 60.11 2ywa h ARG 107 Cb -0.01 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 2ywa h ARG 107 CO -0.06 0.84 -0.05 0.74 -1.07 0.00 0.00 179.97 180.38 2ywa h PHE 108 N 0.26 0.25 -0.25 3.04 0.04 -0.96 -1.23 116.94 118.08 2ywa h PHE 108 Ca -0.00 -0.06 0.06 0.00 2.80 0.00 0.00 57.97 60.76 2ywa h PHE 108 Cb 1.11 -0.06 -0.01 0.00 2.20 0.00 0.00 35.95 39.19 2ywa h PHE 108 CO 0.03 0.56 0.18 1.96 -0.60 0.00 0.00 178.31 180.44 2ywa h GLN 109 N -0.13 0.07 -0.04 1.51 4.20 -1.18 -0.58 115.11 118.95 2ywa h GLN 109 Ca 0.02 -0.00 -0.03 0.00 0.06 0.00 0.00 58.65 58.70 2ywa h GLN 109 Cb 0.50 -0.02 -0.00 0.00 0.30 0.00 0.00 27.48 28.26 2ywa h GLN 109 CO 0.01 0.05 -0.07 1.49 -0.67 0.00 0.00 178.83 179.64 2ywa h GLU 110 N 0.07 0.13 -0.45 1.46 4.57 -0.84 -1.88 114.58 117.64 2ywa h GLU 110 Ca 0.12 -0.08 0.08 0.00 -1.18 0.00 0.00 59.36 58.30 2ywa h GLU 110 Cb 0.38 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.91 2ywa h GLU 110 CO -0.01 0.64 0.08 1.25 -1.18 0.00 0.00 179.01 179.79 2ywa h LEU 111 N -0.37 -0.02 -0.72 1.64 5.85 -0.31 -0.20 115.31 121.18 2ywa h LEU 111 Ca 0.00 0.08 0.06 0.00 0.84 0.00 0.00 57.88 58.87 2ywa h LEU 111 Cb 0.63 0.12 -0.06 0.00 0.37 0.00 0.00 40.66 41.72 2ywa h LEU 111 CO 0.02 0.02 0.41 -0.07 -0.34 0.00 0.00 178.44 178.48 2ywa h LEU 112 N 0.21 0.61 -0.80 2.25 3.38 -1.13 -1.44 115.31 118.38 2ywa h LEU 112 Ca 0.23 0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 2ywa h LEU 112 Cb 0.29 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 2ywa h LEU 112 CO -0.30 0.39 0.09 -0.09 0.09 0.00 0.00 178.44 178.61 2ywa h ARG 113 N 0.74 0.99 0.00 1.13 2.43 -0.38 -3.09 114.38 116.19 2ywa h ARG 113 Ca 0.32 -0.25 -0.13 0.00 -0.81 0.00 0.00 59.98 59.12 2ywa h ARG 113 Cb 0.21 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 2ywa h ARG 113 CO -0.19 0.92 -0.60 0.00 -1.51 0.00 0.00 179.97 178.59 2ywa h ARG 114 N 0.93 0.00 -1.19 0.20 3.08 -0.51 -3.13 114.38 113.75 2ywa h ARG 114 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 2ywa h ARG 114 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.47 2ywa h ARG 114 CO 0.01 0.60 0.00 1.28 -1.07 0.00 0.00 179.97 180.79 2ywa n LEU 115 N -3.52 1.83 0.00 3.04 4.77 -0.59 -5.10 117.00 117.43 2ywa n LEU 115 Ca -0.00 -0.91 0.00 0.00 -0.03 0.00 0.00 56.01 55.06 2ywa n LEU 115 Cb 0.67 -0.35 0.00 0.00 -2.33 0.00 0.00 43.42 41.41 2ywa n LEU 115 CO 0.41 0.32 0.23 1.21 -1.33 0.00 0.00 177.39 178.22