#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2ywa h LEU 4 N 0.00 0.63 -0.65 2.46 5.85 -1.98 -2.85 115.31 118.77 2ywa h LEU 4 Ca 0.00 -0.22 0.13 0.00 0.84 0.00 0.00 57.88 58.63 2ywa h LEU 4 Cb 0.00 -0.17 -0.10 0.00 0.37 0.00 0.00 40.66 40.76 2ywa h LEU 4 CO 0.00 0.68 0.10 0.00 -0.34 0.00 0.00 178.44 178.89 2ywa h ALA 5 N 0.97 0.75 0.00 1.25 0.00 -1.99 -0.11 119.26 120.14 2ywa h ALA 5 Ca 0.14 0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.21 2ywa h ALA 5 Cb 0.29 0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.32 2ywa h ALA 5 CO -0.00 -0.34 0.00 -0.09 0.00 0.00 0.00 179.25 178.81 2ywa h ARG 6 N 0.22 0.00 0.05 0.00 9.65 -1.96 -2.67 114.38 119.66 2ywa h ARG 6 Ca 0.35 0.00 -0.08 0.00 -1.10 0.00 0.00 59.98 59.15 2ywa h ARG 6 Cb 0.56 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.15 2ywa h ARG 6 CO -0.48 0.00 -0.38 0.00 2.80 0.00 0.00 179.97 181.91 2ywa h ALA 7 N 2.04 -0.01 0.00 2.80 0.00 -0.86 -2.76 119.26 120.47 2ywa h ALA 7 Ca 0.00 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.29 2ywa h ALA 7 Cb 0.69 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ywa h ALA 7 CO 0.00 0.19 0.03 -0.24 0.00 0.00 0.00 179.25 179.23 2ywa h VAL 8 N -0.78 0.00 0.07 0.00 3.04 -1.11 -0.61 116.25 116.86 2ywa h VAL 8 Ca -0.08 0.00 -0.16 0.00 -1.01 0.00 0.00 66.70 65.46 2ywa h VAL 8 Cb 1.25 0.88 0.02 0.00 -2.01 0.00 0.00 31.29 31.42 2ywa h VAL 8 CO 0.04 0.00 -0.66 -0.08 -1.01 0.00 0.00 177.57 175.86 2ywa h GLU 9 N 0.00 0.32 0.00 4.17 4.57 -1.42 -2.91 114.58 119.31 2ywa h GLU 9 Ca 0.00 -0.44 0.00 0.00 -1.18 0.00 0.00 59.36 57.74 2ywa h GLU 9 Cb 0.05 0.15 0.00 0.00 -0.16 0.00 0.00 28.75 28.79 2ywa h GLU 9 CO 0.00 1.16 0.00 0.00 -1.18 0.00 0.00 179.01 178.99 2ywa h ARG 10 N -0.30 0.00 0.03 1.92 3.08 -0.85 -1.96 114.38 116.30 2ywa h ARG 10 Ca -0.10 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 59.95 2ywa h ARG 10 Cb 1.44 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.49 2ywa h ARG 10 CO 0.13 0.00 -0.02 1.25 -1.07 0.00 0.00 179.97 180.26 2ywa h LEU 11 N 0.00 -0.04 -0.71 3.04 5.85 -1.29 -3.16 115.31 119.01 2ywa h LEU 11 Ca 0.00 -0.67 0.10 0.00 0.84 0.00 0.00 57.88 58.15 2ywa h LEU 11 Cb 0.40 0.01 -0.07 0.00 0.37 0.00 0.00 40.66 41.37 2ywa h LEU 11 CO 0.00 0.71 0.34 0.50 -0.34 0.00 0.00 178.44 179.65 2ywa h LYS 12 N -0.84 0.56 -0.99 1.25 3.64 -1.30 -1.38 116.57 117.51 2ywa h LYS 12 Ca -0.00 -0.03 0.17 0.00 -1.27 0.00 0.00 60.65 59.51 2ywa h LYS 12 Cb 0.70 -0.13 -0.10 0.00 -0.41 0.00 0.00 32.23 32.30 2ywa h LYS 12 CO 0.01 0.37 0.62 0.00 -2.27 0.00 0.00 179.45 178.17 2ywa h ALA 13 N 1.44 1.68 0.00 5.00 0.00 -1.41 -0.66 119.26 125.31 2ywa h ALA 13 Ca 0.35 0.05 -0.10 0.00 0.00 0.00 0.00 54.91 55.22 2ywa h ALA 13 Cb 0.40 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2ywa h ALA 13 CO -0.29 -0.00 -0.48 0.00 0.00 0.00 0.00 179.25 178.48 2ywa h ALA 14 N 1.61 0.70 0.00 0.00 0.00 -1.23 -3.21 119.26 117.13 2ywa h ALA 14 Ca 0.54 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 55.02 2ywa h ALA 14 Cb 0.79 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.51 2ywa h ALA 14 CO -0.32 0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.45 2ywa h LEU 15 N 0.00 0.00 -0.02 0.00 3.38 -0.69 -3.28 115.31 114.71 2ywa h LEU 15 Ca -0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 2ywa h LEU 15 Cb 1.34 0.00 0.01 0.00 0.09 0.00 0.00 40.66 42.10 2ywa h LEU 15 CO 0.06 0.00 -1.10 -0.33 0.09 0.00 0.00 178.44 177.16 2ywa h GLU 16 N 0.00 0.43 -7.11 1.13 5.08 -1.39 -3.46 114.58 109.26 2ywa h GLU 16 Ca 0.00 -0.55 -0.54 0.00 -1.00 0.00 0.00 59.36 57.27 2ywa h GLU 16 Cb 0.91 0.18 0.19 0.00 0.50 0.00 0.00 28.75 30.52 2ywa h GLU 16 CO 0.00 1.21 0.15 0.54 -1.00 0.00 0.00 179.01 179.91 2ywa n ARG 17 N -3.70 0.07 -2.24 2.33 5.12 -1.24 -4.89 116.66 112.11 2ywa n ARG 17 Ca -0.09 0.10 -0.42 0.00 -1.93 0.00 0.00 57.85 55.51 2ywa n ARG 17 Cb 0.92 -2.31 -0.03 0.00 -1.16 0.00 0.00 32.46 29.89 2ywa n ARG 17 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2ywa s PRO 18 N -3.98 4.30 0.29 5.56 0.04 -1.26 -4.93 135.00 135.02 2ywa s PRO 18 Ca 0.70 1.96 -0.30 0.00 0.04 0.00 0.00 61.00 63.40 2ywa s PRO 18 Cb -0.28 -3.50 -0.12 0.00 0.04 0.00 0.00 34.50 30.63 2ywa s PRO 18 CO 0.54 -0.52 1.44 1.17 0.04 0.00 0.00 177.00 179.67 2ywa n LYS 19 N 5.01 2.28 -3.53 4.56 4.81 -1.26 -4.91 118.16 125.11 2ywa n LYS 19 Ca 0.12 0.81 -0.15 0.00 -0.87 0.00 0.00 58.31 58.22 2ywa n LYS 19 Cb 0.44 -2.49 -0.05 0.00 0.02 0.00 0.00 35.03 32.95 2ywa n LYS 19 CO 0.00 0.00 0.00 0.16 1.17 0.00 0.00 177.40 178.73 2ywa s ASP 20 N 0.19 -0.52 0.55 3.14 1.47 -1.26 -5.02 116.67 115.21 2ywa s ASP 20 Ca 0.63 0.31 0.41 0.00 1.18 0.00 0.00 52.55 55.08 2ywa s ASP 20 Cb -0.58 0.52 1.62 0.00 -0.34 0.00 0.00 42.92 44.14 2ywa s ASP 20 CO 0.53 -0.73 1.73 1.05 0.68 0.00 0.00 175.17 178.43 2ywa h GLU 21 N 2.73 0.00 0.00 2.11 4.11 -1.99 0.19 114.58 121.74 2ywa h GLU 21 Ca -0.30 -0.00 -0.19 0.00 0.07 0.00 0.00 59.36 58.94 2ywa h GLU 21 Cb 1.21 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2ywa h GLU 21 CO 0.40 0.00 -0.91 0.74 0.07 0.00 0.00 179.01 179.31 2ywa h PHE 22 N 0.00 0.00 0.10 2.06 -1.00 -1.98 -2.54 116.94 113.58 2ywa h PHE 22 Ca 0.70 0.00 -0.29 0.00 2.81 0.00 0.00 57.97 61.18 2ywa h PHE 22 Cb 2.79 0.00 0.03 0.00 3.61 0.00 0.00 35.95 42.38 2ywa h PHE 22 CO -0.00 0.91 -1.22 0.82 -1.61 0.00 0.00 178.31 177.21 2ywa h ILE 23 N 0.00 1.29 0.42 -0.55 1.08 -1.04 -2.69 117.51 116.02 2ywa h ILE 23 Ca -0.01 -2.46 -0.01 0.00 -0.39 0.00 0.00 64.86 61.98 2ywa h ILE 23 Cb 1.67 2.66 -0.01 0.00 -3.07 0.00 0.00 36.82 38.06 2ywa h ILE 23 CO 0.12 0.75 -0.35 -0.09 -0.69 0.00 0.00 178.15 177.88 2ywa h ARG 24 N 0.28 -0.73 -0.30 2.37 2.43 -1.21 -0.37 114.38 116.86 2ywa h ARG 24 Ca -0.18 0.05 0.09 0.00 -0.81 0.00 0.00 59.98 59.13 2ywa h ARG 24 Cb 1.89 0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 31.59 2ywa h ARG 24 CO 0.23 -0.48 0.31 -0.44 -1.51 0.00 0.00 179.97 178.08 2ywa h ASP 25 N -0.75 0.00 0.50 -3.80 3.45 -1.56 0.24 116.42 114.50 2ywa h ASP 25 Ca -0.05 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.41 2ywa h ASP 25 Cb 0.63 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 39.40 2ywa h ASP 25 CO -0.01 0.00 -0.47 -1.54 -1.57 0.00 0.00 179.24 175.65 2ywa n SER 26 N -3.82 0.51 0.03 6.45 3.41 -0.89 -2.57 113.62 116.75 2ywa n SER 26 Ca 0.04 -0.26 -0.15 0.00 -0.26 0.00 0.00 58.87 58.25 2ywa n SER 26 Cb 0.46 0.22 -0.14 0.00 -0.26 0.00 0.00 64.21 64.49 2ywa n SER 26 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2ywa h ALA 27 N 3.03 0.44 -0.29 7.33 0.00 0.12 -2.87 119.26 127.02 2ywa h ALA 27 Ca 0.00 -1.23 -0.02 0.00 0.00 0.00 0.00 54.91 53.66 2ywa h ALA 27 Cb 0.50 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 2ywa h ALA 27 CO 0.00 1.30 0.10 0.82 0.00 0.00 0.00 179.25 181.47 2ywa h ILE 28 N 0.05 1.19 -0.85 0.00 2.04 -1.41 -0.90 117.51 117.63 2ywa h ILE 28 Ca -0.26 -0.59 0.01 0.00 1.00 0.00 0.00 64.86 65.02 2ywa h ILE 28 Cb 2.00 1.04 -0.04 0.00 -0.74 0.00 0.00 36.82 39.07 2ywa h ILE 28 CO 0.13 0.20 0.56 -0.61 0.00 0.00 0.00 178.15 178.43 2ywa h GLN 29 N 0.31 1.11 0.00 2.37 5.75 -1.57 -0.94 115.11 122.15 2ywa h GLN 29 Ca 0.09 -0.07 -0.05 0.00 -0.15 0.00 0.00 58.65 58.48 2ywa h GLN 29 Cb 0.21 -0.25 -0.01 0.00 1.07 0.00 0.00 27.48 28.50 2ywa h GLN 29 CO -0.01 0.74 -0.23 0.00 -2.65 0.00 0.00 178.83 176.68 2ywa h ARG 30 N 1.15 0.00 -0.09 1.69 3.08 -1.26 -2.82 114.38 116.13 2ywa h ARG 30 Ca 0.32 0.00 -0.04 0.00 0.07 0.00 0.00 59.98 60.32 2ywa h ARG 30 Cb -0.12 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 2ywa h ARG 30 CO -0.07 0.23 -0.12 0.35 -1.07 0.00 0.00 179.97 179.29 2ywa h PHE 31 N 0.00 0.29 -0.66 3.04 3.57 -0.08 -1.66 116.94 121.44 2ywa h PHE 31 Ca -0.00 -0.10 0.12 0.00 3.53 0.00 0.00 57.97 61.52 2ywa h PHE 31 Cb 0.77 -0.06 -0.09 0.00 2.79 0.00 0.00 35.95 39.37 2ywa h PHE 31 CO 0.00 0.70 0.21 1.49 -2.23 0.00 0.00 178.31 178.48 2ywa h GLU 32 N -0.20 0.34 0.00 1.11 4.81 -0.97 0.16 114.58 119.83 2ywa h GLU 32 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2ywa h GLU 32 Cb 0.66 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.97 2ywa h GLU 32 CO 0.03 0.23 -0.22 0.27 -0.73 0.00 0.00 179.01 178.59 2ywa h PHE 33 N 0.35 0.00 0.03 0.92 -5.15 -1.53 -2.36 116.94 109.21 2ywa h PHE 33 Ca 0.35 0.00 -0.00 0.00 -0.20 0.00 0.00 57.97 58.12 2ywa h PHE 33 Cb 0.52 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.69 2ywa h PHE 33 CO -0.20 0.00 -0.02 1.15 -2.00 0.00 0.00 178.31 177.24 2ywa h THR 34 N 0.00 1.38 -0.55 0.88 2.02 -0.24 -2.30 112.91 114.10 2ywa h THR 34 Ca 0.00 -1.68 0.11 0.00 0.77 0.00 0.00 66.41 65.61 2ywa h THR 34 Cb 0.88 2.45 -0.09 0.00 -1.74 0.00 0.00 68.15 69.65 2ywa h THR 34 CO 0.00 0.41 0.04 0.15 0.37 0.00 0.00 175.52 176.49 2ywa h PHE 35 N -0.83 0.05 0.01 3.16 3.04 -0.79 0.16 116.94 121.74 2ywa h PHE 35 Ca -0.00 0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.98 2ywa h PHE 35 Cb 0.70 0.06 -0.00 0.00 2.56 0.00 0.00 35.95 39.27 2ywa h PHE 35 CO 0.17 -0.09 -0.02 1.49 -2.02 0.00 0.00 178.31 177.84 2ywa h GLU 36 N 0.16 -0.03 -0.02 1.11 4.57 -1.46 -1.57 114.58 117.35 2ywa h GLU 36 Ca 0.28 0.00 0.01 0.00 -1.18 0.00 0.00 59.36 58.47 2ywa h GLU 36 Cb 0.43 0.01 -0.00 0.00 -0.16 0.00 0.00 28.75 29.03 2ywa h GLU 36 CO -0.43 -0.02 0.50 1.25 -1.18 0.00 0.00 179.01 179.14 2ywa h LEU 37 N -0.03 0.00 0.09 1.64 5.85 -0.88 -1.41 115.31 120.57 2ywa h LEU 37 Ca -0.00 0.00 -0.30 0.00 0.84 0.00 0.00 57.88 58.42 2ywa h LEU 37 Cb 0.03 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 2ywa h LEU 37 CO -0.01 0.00 -1.51 0.00 -0.34 0.00 0.00 178.44 176.58 2ywa h ALA 38 N 1.01 0.36 0.11 1.25 0.00 0.25 -3.01 119.26 119.22 2ywa h ALA 38 Ca 0.01 -1.15 -0.28 0.00 0.00 0.00 0.00 54.91 53.49 2ywa h ALA 38 Cb 1.02 0.28 -0.00 0.00 0.00 0.00 0.00 17.79 19.08 2ywa h ALA 38 CO -0.00 1.22 -1.32 0.11 0.00 0.00 0.00 179.25 179.27 2ywa h TRP 39 N 0.05 0.43 0.00 0.00 5.08 -0.55 -2.06 115.95 118.89 2ywa h TRP 39 Ca -0.23 -0.31 0.00 0.00 1.08 0.00 0.00 58.89 59.43 2ywa h TRP 39 Cb 1.99 -0.02 0.00 0.00 -3.00 0.00 0.00 29.16 28.13 2ywa h TRP 39 CO 0.05 1.28 0.00 0.87 -1.28 0.00 0.00 178.44 179.35 2ywa h LYS 40 N 0.06 0.00 0.08 0.12 1.57 -1.51 0.62 116.57 117.52 2ywa h LYS 40 Ca -0.16 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.30 2ywa h LYS 40 Cb 1.97 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 34.26 2ywa h LYS 40 CO 0.18 0.00 -1.73 1.15 -0.57 0.00 0.00 179.45 178.49 2ywa h THR 41 N 0.00 0.90 -0.06 -0.16 2.02 -1.35 -3.19 112.91 111.07 2ywa h THR 41 Ca 0.00 -2.63 -0.18 0.00 0.77 0.00 0.00 66.41 64.37 2ywa h THR 41 Cb 0.13 2.58 -0.01 0.00 -1.74 0.00 0.00 68.15 69.12 2ywa h THR 41 CO 0.00 0.75 -0.72 -0.07 0.37 0.00 0.00 175.52 175.85 2ywa h LEU 42 N 0.05 0.40 -0.20 2.58 3.38 -0.15 -2.02 115.31 119.36 2ywa h LEU 42 Ca -0.31 -0.27 -0.01 0.00 0.09 0.00 0.00 57.88 57.38 2ywa h LEU 42 Cb 2.02 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 42.64 2ywa h LEU 42 CO 0.11 1.00 0.08 0.50 0.09 0.00 0.00 178.44 180.22 2ywa h LYS 43 N 0.23 0.29 -0.40 1.13 3.64 -0.00 -1.13 116.57 120.34 2ywa h LYS 43 Ca -0.03 -0.06 0.04 0.00 -1.27 0.00 0.00 60.65 59.34 2ywa h LYS 43 Cb 1.29 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 33.02 2ywa h LYS 43 CO 0.12 0.37 0.16 1.15 -2.27 0.00 0.00 179.45 178.97 2ywa h THR 44 N 0.16 0.91 -0.41 1.00 2.02 -1.52 -1.24 112.91 113.84 2ywa h THR 44 Ca 0.06 -0.11 0.05 0.00 0.77 0.00 0.00 66.41 67.18 2ywa h THR 44 Cb 0.18 0.55 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 2ywa h THR 44 CO -0.00 0.06 0.14 0.15 0.37 0.00 0.00 175.52 176.24 2ywa h PHE 45 N 0.33 0.25 -0.29 3.16 3.57 -0.99 -1.18 116.94 121.79 2ywa h PHE 45 Ca 0.18 0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 2ywa h PHE 45 Cb 0.14 -0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 2ywa h PHE 45 CO -0.13 0.09 0.13 -0.07 -2.23 0.00 0.00 178.31 176.10 2ywa h LEU 46 N 0.30 0.40 -0.39 0.59 3.38 -0.84 -2.32 115.31 116.43 2ywa h LEU 46 Ca 0.19 -0.15 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2ywa h LEU 46 Cb 0.18 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.77 2ywa h LEU 46 CO -0.19 0.43 0.09 -0.33 0.09 0.00 0.00 178.44 178.53 2ywa h GLU 47 N 0.33 0.22 -0.18 1.13 5.08 -0.83 0.11 114.58 120.44 2ywa h GLU 47 Ca 0.10 -0.01 0.05 0.00 -1.00 0.00 0.00 59.36 58.50 2ywa h GLU 47 Cb 0.15 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.35 2ywa h GLU 47 CO -0.01 0.15 0.13 1.25 -1.00 0.00 0.00 179.01 179.53 2ywa h LEU 48 N 0.23 0.00 -0.91 1.33 5.85 -1.04 0.37 115.31 121.13 2ywa h LEU 48 Ca 0.18 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.86 2ywa h LEU 48 Cb 0.20 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.23 2ywa h LEU 48 CO -0.23 0.00 -0.19 1.56 -0.34 0.00 0.00 178.44 179.24 2ywa h GLN 49 N 0.00 0.00 0.00 1.25 1.08 -0.27 -3.46 115.11 113.71 2ywa h GLN 49 Ca 0.08 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.28 2ywa h GLN 49 Cb 0.35 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.78 2ywa h GLN 49 CO -0.00 0.19 0.00 0.41 -0.95 0.00 0.00 178.83 178.48 2ywa n GLY 50 N 0.37 1.84 3.68 3.46 0.00 0.13 -5.10 105.19 109.57 2ywa n GLY 50 Ca 0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.78 2ywa n GLY 50 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2ywa s LEU 51 N 0.00 3.04 0.15 0.99 1.43 -0.71 -5.01 118.68 118.57 2ywa s LEU 51 Ca 0.00 -1.05 0.07 0.00 -1.03 0.00 0.00 54.13 52.11 2ywa s LEU 51 Cb 0.00 -1.36 -0.04 0.00 0.03 0.00 0.00 46.19 44.82 2ywa s LEU 51 CO 0.00 -0.39 -0.00 -1.61 0.23 0.00 0.00 176.35 174.58 2ywa s GLU 52 N -3.80 2.44 -0.30 1.70 8.01 -1.26 -3.83 118.70 121.66 2ywa s GLU 52 Ca 0.37 -1.02 -0.14 0.00 0.01 0.00 0.00 54.97 54.19 2ywa s GLU 52 Cb 0.03 -2.41 0.19 0.00 -4.31 0.00 0.00 34.13 27.62 2ywa s GLU 52 CO 0.21 0.48 1.15 0.00 0.01 0.00 0.00 175.26 177.11 2ywa s ALA 53 N -1.58 -4.75 0.00 5.21 0.00 -1.26 -4.98 121.76 114.40 2ywa s ALA 53 Ca 0.27 1.49 -0.02 0.00 0.00 0.00 0.00 51.96 53.70 2ywa s ALA 53 Cb -0.10 -3.02 -0.27 0.00 0.00 0.00 0.00 23.12 19.73 2ywa s ALA 53 CO 0.18 -2.41 0.85 0.00 0.00 0.00 0.00 175.76 174.38 2ywa h ARG 54 N 5.82 0.22 -6.21 0.00 -0.00 -1.99 -3.44 114.38 108.78 2ywa h ARG 54 Ca -0.08 -0.38 -0.53 0.00 -0.50 0.00 0.00 59.98 58.49 2ywa h ARG 54 Cb 1.22 0.14 -0.07 0.00 0.00 0.00 0.00 29.97 31.26 2ywa h ARG 54 CO -0.13 1.07 -0.57 -1.54 0.00 0.00 0.00 179.97 178.79 2ywa s SER 55 N -6.91 5.20 0.25 7.04 1.04 -1.26 -4.99 113.70 114.07 2ywa s SER 55 Ca -0.09 -0.35 -0.04 0.00 0.48 0.00 0.00 55.95 55.96 2ywa s SER 55 Cb 0.07 -1.23 0.48 0.00 0.10 0.00 0.00 66.02 65.43 2ywa s SER 55 CO 0.85 -0.00 1.73 -0.65 0.98 0.00 0.00 173.24 176.14 2ywa h PRO 56 N 1.81 0.45 -0.81 4.02 0.11 -1.96 0.23 132.00 135.85 2ywa h PRO 56 Ca -0.47 -0.03 -0.02 0.00 0.11 0.00 0.00 66.00 65.59 2ywa h PRO 56 Cb 1.23 -0.10 -0.04 0.00 0.11 0.00 0.00 31.00 32.21 2ywa h PRO 56 CO 0.61 0.30 0.42 -0.09 -0.21 0.00 0.00 178.00 179.02 2ywa h ARG 57 N 0.46 1.15 -0.16 1.05 2.43 -1.99 -1.18 114.38 116.14 2ywa h ARG 57 Ca 0.42 -0.15 -0.13 0.00 -0.81 0.00 0.00 59.98 59.32 2ywa h ARG 57 Cb 0.64 -0.22 -0.01 0.00 -0.42 0.00 0.00 29.97 29.97 2ywa h ARG 57 CO -0.40 0.87 -0.44 0.00 -1.51 0.00 0.00 179.97 178.48 2ywa h ALA 58 N 1.22 0.95 -0.32 2.80 0.00 -1.56 -1.50 119.26 120.85 2ywa h ALA 58 Ca 0.28 -0.45 -0.14 0.00 0.00 0.00 0.00 54.91 54.61 2ywa h ALA 58 Cb 0.07 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2ywa h ALA 58 CO -0.04 0.64 -0.36 0.00 0.00 0.00 0.00 179.25 179.49 2ywa h ALA 59 N 1.22 0.78 0.10 0.00 0.00 -0.56 0.77 119.26 121.57 2ywa h ALA 59 Ca 0.02 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 2ywa h ALA 59 Cb 0.91 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.57 2ywa h ALA 59 CO 0.08 0.65 -0.05 0.82 0.00 0.00 0.00 179.25 180.75 2ywa h ILE 60 N 0.60 1.08 -0.66 0.00 2.04 -1.08 0.22 117.51 119.71 2ywa h ILE 60 Ca 0.06 -0.73 0.13 0.00 1.00 0.00 0.00 64.86 65.32 2ywa h ILE 60 Cb 0.89 1.54 -0.10 0.00 -0.74 0.00 0.00 36.82 38.42 2ywa h ILE 60 CO 0.08 0.18 0.14 -0.09 0.00 0.00 0.00 178.15 178.46 2ywa h ARG 61 N -0.48 0.25 -0.22 2.37 9.65 -1.18 -0.69 114.38 124.09 2ywa h ARG 61 Ca -0.01 -0.02 -0.01 0.00 -1.10 0.00 0.00 59.98 58.84 2ywa h ARG 61 Cb 0.39 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 28.91 2ywa h ARG 61 CO 0.02 0.17 0.08 0.78 2.80 0.00 0.00 179.97 183.82 2ywa h GLY 62 N 0.26 0.36 1.40 2.80 0.00 -0.63 -1.55 103.07 105.71 2ywa h GLY 62 Ca 0.36 -0.21 0.07 0.00 0.00 0.00 0.00 47.33 47.55 2ywa h GLY 62 CO -0.46 0.19 0.24 0.00 0.00 0.00 0.00 176.54 176.51 2ywa h ALA 63 N 0.91 1.89 0.00 3.60 0.00 0.82 -0.18 119.26 126.30 2ywa h ALA 63 Ca 0.07 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.96 2ywa h ALA 63 Cb 0.20 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 2ywa h ALA 63 CO -0.00 -0.35 -0.10 0.74 0.00 0.00 0.00 179.25 179.54 2ywa h PHE 64 N 0.00 0.00 0.26 0.00 0.04 -0.65 -0.45 116.94 116.13 2ywa h PHE 64 Ca 0.11 0.00 -0.00 0.00 2.80 0.00 0.00 57.97 60.87 2ywa h PHE 64 Cb 0.58 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.72 2ywa h PHE 64 CO 0.00 0.64 -0.20 -0.56 -0.60 0.00 0.00 178.31 177.59 2ywa h GLN 65 N -1.00 -0.44 -0.21 1.51 3.07 -0.77 -2.00 115.11 115.27 2ywa h GLN 65 Ca -0.02 0.03 0.06 0.00 0.09 0.00 0.00 58.65 58.81 2ywa h GLN 65 Cb 0.64 0.10 -0.01 0.00 0.08 0.00 0.00 27.48 28.30 2ywa h GLN 65 CO -0.01 -0.30 0.16 -0.24 0.09 0.00 0.00 178.83 178.53 2ywa h VAL 66 N -0.46 0.79 0.00 1.86 3.04 -1.24 -3.46 116.25 116.79 2ywa h VAL 66 Ca -0.02 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.67 2ywa h VAL 66 Cb 0.41 0.88 0.00 0.00 -2.01 0.00 0.00 31.29 30.57 2ywa h VAL 66 CO -0.01 0.00 0.00 0.61 -1.01 0.00 0.00 177.57 177.16 2ywa n GLY 67 N -1.54 1.32 0.00 3.17 0.00 -0.75 -5.04 105.19 102.35 2ywa n GLY 67 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 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 0.00 0.00 -4.88 0.99 0.00 -0.21 -4.83 117.00 108.08 2ywa n LEU 68 Ca 0.00 0.72 -0.33 0.00 0.00 0.00 0.00 56.01 56.40 2ywa n LEU 68 Cb 0.00 -0.50 -0.05 0.00 0.00 0.00 0.00 43.42 42.87 2ywa n LEU 68 CO 0.00 -0.50 0.10 -0.76 0.00 0.00 0.00 177.39 176.23 2ywa s LEU 69 N -4.00 4.27 0.42 -1.96 1.02 -1.01 -5.03 118.68 112.40 2ywa s LEU 69 Ca 0.00 0.75 -0.14 0.00 0.02 0.00 0.00 54.13 54.76 2ywa s LEU 69 Cb 0.00 -3.30 -0.08 0.00 0.02 0.00 0.00 46.19 42.84 2ywa s LEU 69 CO 0.00 0.06 0.84 -2.84 0.02 0.00 0.00 176.35 174.43 2ywa s PRO 70 N -2.44 3.91 -0.40 1.29 0.02 -1.26 -4.39 135.00 131.72 2ywa s PRO 70 Ca 0.40 0.70 -0.42 0.00 0.02 0.00 0.00 61.00 61.70 2ywa s PRO 70 Cb -0.13 -2.31 -0.17 0.00 0.02 0.00 0.00 34.50 31.92 2ywa s PRO 70 CO 0.22 -0.07 1.89 0.39 -0.33 0.00 0.00 177.00 179.10 2ywa n GLU 71 N -1.15 0.57 -3.43 5.54 -0.58 -1.26 -4.93 120.64 115.39 2ywa n GLU 71 Ca 0.04 0.19 -0.18 0.00 -0.42 0.00 0.00 57.16 56.79 2ywa n GLU 71 Cb 0.54 -1.87 -0.11 0.00 -0.57 0.00 0.00 31.44 29.43 2ywa n GLU 71 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 2ywa s ASP 72 N 4.74 1.64 0.59 1.62 -1.08 -1.26 -5.01 116.67 117.91 2ywa s ASP 72 Ca 1.08 -0.58 0.27 0.00 -0.52 0.00 0.00 52.55 52.80 2ywa s ASP 72 Cb -1.25 0.45 1.45 0.00 -1.46 0.00 0.00 42.92 42.11 2ywa s ASP 72 CO 0.67 -0.37 1.80 -0.65 0.52 0.00 0.00 175.17 177.14 2ywa h PRO 73 N 8.28 0.00 -0.37 4.34 0.11 -2.03 -2.40 132.00 139.93 2ywa h PRO 73 Ca -0.15 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 65.90 2ywa h PRO 73 Cb 1.10 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 2ywa h PRO 73 CO 0.32 0.00 -0.00 0.35 -0.21 0.00 0.00 178.00 178.46 2ywa h PHE 74 N 0.00 0.61 -0.77 0.65 3.04 -1.99 -3.01 116.94 115.47 2ywa h PHE 74 Ca 0.00 -0.07 0.05 0.00 3.98 0.00 0.00 57.97 61.93 2ywa h PHE 74 Cb 0.64 -0.17 -0.05 0.00 2.56 0.00 0.00 35.95 38.92 2ywa h PHE 74 CO 0.00 0.59 0.47 -1.49 -2.02 0.00 0.00 178.31 175.87 2ywa h TRP 75 N 0.56 0.88 -0.05 0.41 4.06 -1.87 0.62 115.95 120.56 2ywa h TRP 75 Ca 0.12 0.03 -0.08 0.00 2.06 0.00 0.00 58.89 61.02 2ywa h TRP 75 Cb 0.36 -0.28 -0.01 0.00 -1.00 0.00 0.00 29.16 28.23 2ywa h TRP 75 CO 0.01 0.47 -0.33 -0.07 -3.56 0.00 0.00 178.44 174.97 2ywa h LEU 76 N 0.89 0.09 -2.33 -4.49 -0.00 -1.74 -1.98 115.31 105.75 2ywa h LEU 76 Ca 0.32 -0.03 0.00 0.00 -0.00 0.00 0.00 57.88 58.18 2ywa h LEU 76 Cb 0.10 -0.02 0.00 0.00 -0.00 0.00 0.00 40.66 40.74 2ywa h LEU 76 CO -0.15 0.41 0.00 1.21 -0.00 0.00 0.00 178.44 179.92 2ywa n GLU 77 N -4.13 0.60 0.00 1.13 2.13 0.21 -1.48 120.64 119.10 2ywa n GLU 77 Ca -0.02 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.80 2ywa n GLU 77 Cb 0.39 -1.20 0.00 0.00 0.27 0.00 0.00 31.44 30.90 2ywa n GLU 77 CO 0.00 0.00 0.00 -0.11 -0.41 0.00 0.00 177.13 176.61 2ywa n LEU 79 N 0.94 0.00 0.05 4.31 0.00 -0.75 -1.74 117.00 119.81 2ywa n LEU 79 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 56.01 55.90 2ywa n LEU 79 Cb 0.30 0.00 -0.06 0.00 0.00 0.00 0.00 43.42 43.66 2ywa n LEU 79 CO 0.00 0.00 0.82 -0.08 0.00 0.00 0.00 177.39 178.13 2ywa h GLU 80 N 0.00 -0.12 -0.11 1.96 4.22 -1.53 -2.60 114.58 116.41 2ywa h GLU 80 Ca 0.00 0.01 -0.01 0.00 0.08 0.00 0.00 59.36 59.44 2ywa h GLU 80 Cb 0.00 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.27 2ywa h GLU 80 CO 0.00 -0.08 0.04 -0.07 -2.18 0.00 0.00 179.01 176.72 2ywa h LEU 81 N -0.12 0.15 -0.99 1.64 3.38 -1.63 -2.99 115.31 114.76 2ywa h LEU 81 Ca 0.03 -0.19 0.29 0.00 0.09 0.00 0.00 57.88 58.09 2ywa h LEU 81 Cb 0.15 -0.04 -0.14 0.00 0.09 0.00 0.00 40.66 40.72 2ywa h LEU 81 CO -0.07 0.30 0.54 -0.09 0.09 0.00 0.00 178.44 179.21 2ywa h ARG 82 N -0.01 0.39 0.00 1.13 9.65 -1.80 0.30 114.38 124.04 2ywa h ARG 82 Ca 0.03 -0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.89 2ywa h ARG 82 Cb 0.20 -0.09 0.00 0.00 -1.39 0.00 0.00 29.97 28.70 2ywa h ARG 82 CO -0.00 0.26 0.00 -0.91 2.80 0.00 0.00 179.97 182.11 2ywa h ASN 83 N 0.40 0.00 1.34 -3.80 2.35 -1.32 -3.18 115.58 111.37 2ywa h ASN 83 Ca 0.68 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.43 2ywa h ASN 83 Cb 1.45 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.82 2ywa h ASN 83 CO -0.57 0.00 -0.37 -0.07 -1.65 0.00 0.00 177.43 174.77 2ywa h LEU 84 N 0.00 0.00 -0.81 1.61 3.38 -0.39 -3.37 115.31 115.73 2ywa h LEU 84 Ca 0.00 -0.06 0.03 0.00 0.09 0.00 0.00 57.88 57.94 2ywa h LEU 84 Cb 0.70 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.45 2ywa h LEU 84 CO 0.00 0.03 0.79 0.71 0.09 0.00 0.00 178.44 180.06 2ywa h THR 85 N 0.00 0.02 -0.01 0.22 1.35 -1.50 0.81 112.91 113.79 2ywa h THR 85 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.86 2ywa h THR 85 Cb 0.86 0.24 0.00 0.00 -1.73 0.00 0.00 68.15 67.51 2ywa h THR 85 CO 0.00 0.00 -0.13 -0.46 -0.25 0.00 0.00 175.52 174.68 2ywa n ASN 86 N -2.74 0.89 -1.08 5.36 0.23 -1.26 -3.40 115.26 113.26 2ywa n ASN 86 Ca 0.02 -0.94 0.08 0.00 -0.53 0.00 0.00 54.58 53.21 2ywa n ASN 86 Cb 0.84 0.03 0.26 0.00 -2.08 0.00 0.00 39.78 38.83 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 -0.57 1.01 1.34 -2.53 8.25 0.28 -4.56 115.22 118.43 2ywa n HIS 87 Ca 0.15 -0.66 0.00 0.00 -0.26 0.00 0.00 57.72 56.96 2ywa n HIS 87 Cb 0.31 -0.20 0.00 0.00 1.12 0.00 0.00 29.99 31.22 2ywa n HIS 87 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 2ywa n THR 88 N 0.44 0.00 0.26 1.59 -2.24 -1.22 -2.44 114.28 110.66 2ywa n THR 88 Ca 0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.10 2ywa n THR 88 Cb 0.75 -0.17 0.68 0.00 -2.10 0.00 0.00 70.33 69.49 2ywa n THR 88 CO 0.00 0.00 0.00 0.10 -0.57 0.00 0.00 175.07 174.60 2ywa h TYR 89 N 0.01 0.00 -2.76 4.78 -0.00 -1.88 -3.35 116.97 113.76 2ywa h TYR 89 Ca 0.00 0.00 -0.55 0.00 -0.00 0.00 0.00 58.73 58.18 2ywa h TYR 89 Cb 0.02 0.00 -0.08 0.00 -0.00 0.00 0.00 36.73 36.67 2ywa h TYR 89 CO 0.00 0.14 1.00 0.34 -0.00 0.00 0.00 178.16 179.64 2ywa s ASP 90 N -6.22 6.29 0.51 0.10 -1.08 -1.02 -4.90 116.67 110.35 2ywa s ASP 90 Ca -0.03 -0.21 0.20 0.00 -0.52 0.00 0.00 52.55 52.00 2ywa s ASP 90 Cb 0.13 -2.55 1.29 0.00 -1.46 0.00 0.00 42.92 40.33 2ywa s ASP 90 CO 0.60 -1.65 2.04 -0.33 0.52 0.00 0.00 175.17 176.34 2ywa h GLU 91 N 9.78 0.08 -0.43 4.34 5.08 -1.90 -0.97 114.58 130.57 2ywa h GLU 91 Ca -0.27 -0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.01 2ywa h GLU 91 Cb 1.05 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 30.27 2ywa h GLU 91 CO 1.23 0.05 -0.04 0.00 -1.00 0.00 0.00 179.01 179.25 2ywa h ALA 92 N 1.80 1.11 -0.23 3.43 0.00 -1.92 -1.90 119.26 121.56 2ywa h ALA 92 Ca 0.19 -0.27 -0.05 0.00 0.00 0.00 0.00 54.91 54.77 2ywa h ALA 92 Cb 0.64 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.24 2ywa h ALA 92 CO -0.02 0.56 -0.06 1.25 0.00 0.00 0.00 179.25 180.99 2ywa h LEU 93 N 0.68 0.45 -0.15 0.00 5.85 -1.54 -1.03 115.31 119.57 2ywa h LEU 93 Ca 0.13 -0.37 0.05 0.00 0.84 0.00 0.00 57.88 58.53 2ywa h LEU 93 Cb 0.48 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 2ywa h LEU 93 CO 0.02 0.71 -0.36 0.00 -0.34 0.00 0.00 178.44 178.47 2ywa h ALA 94 N 0.75 -0.45 -0.98 1.25 0.00 -1.08 0.81 119.26 119.57 2ywa h ALA 94 Ca 0.06 0.01 0.11 0.00 0.00 0.00 0.00 54.91 55.09 2ywa h ALA 94 Cb 0.51 0.68 -0.08 0.00 0.00 0.00 0.00 17.79 18.91 2ywa h ALA 94 CO 0.02 -0.84 0.61 0.93 0.00 0.00 0.00 179.25 179.97 2ywa h GLU 95 N -0.43 0.96 -0.93 0.00 4.39 -1.27 -0.47 114.58 116.83 2ywa h GLU 95 Ca 0.09 -0.06 0.04 0.00 0.34 0.00 0.00 59.36 59.78 2ywa h GLU 95 Cb 0.58 -0.22 -0.06 0.00 -0.10 0.00 0.00 28.75 28.96 2ywa h GLU 95 CO -0.38 0.64 0.60 -0.09 -1.16 0.00 0.00 179.01 178.61 2ywa h ARG 96 N 0.99 1.11 -0.01 2.33 2.43 0.44 -2.20 114.38 119.47 2ywa h ARG 96 Ca 0.48 -0.07 -0.03 0.00 -0.81 0.00 0.00 59.98 59.55 2ywa h ARG 96 Cb 0.43 -0.25 0.00 0.00 -0.42 0.00 0.00 29.97 29.73 2ywa h ARG 96 CO -0.25 0.73 -0.11 0.82 -1.51 0.00 0.00 179.97 179.65 2ywa h ILE 97 N 1.14 1.53 -0.67 1.20 2.04 0.37 -3.31 117.51 119.80 2ywa h ILE 97 Ca 0.38 -1.72 0.14 0.00 1.00 0.00 0.00 64.86 64.66 2ywa h ILE 97 Cb 0.05 2.63 -0.10 0.00 -0.74 0.00 0.00 36.82 38.65 2ywa h ILE 97 CO -0.13 0.46 0.11 0.22 0.00 0.00 0.00 178.15 178.80 2ywa h TYR 98 N -0.55 0.15 -0.39 1.37 5.03 -0.98 0.80 116.97 122.39 2ywa h TYR 98 Ca -0.01 0.04 0.11 0.00 2.58 0.00 0.00 58.73 61.46 2ywa h TYR 98 Cb 0.81 0.04 -0.02 0.00 1.55 0.00 0.00 36.73 39.12 2ywa h TYR 98 CO 0.16 -0.11 0.49 0.00 -1.32 0.00 0.00 178.16 177.39 2ywa h ALA 99 N 1.58 2.07 0.00 1.82 0.00 -1.49 -0.95 119.26 122.29 2ywa h ALA 99 Ca 0.37 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.26 2ywa h ALA 99 Cb 0.61 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.43 2ywa h ALA 99 CO -0.50 -0.69 -1.14 0.39 0.00 0.00 0.00 179.25 177.31 2ywa n GLU 100 N -3.55 0.57 -0.21 0.00 -0.58 0.26 -4.48 120.64 112.66 2ywa n GLU 100 Ca 0.07 0.06 0.01 0.00 -0.42 0.00 0.00 57.16 56.88 2ywa n GLU 100 Cb 0.65 -1.76 0.12 0.00 -0.57 0.00 0.00 31.44 29.89 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 0.00 0.15 -1.95 -4.62 3.38 -1.07 -0.34 115.31 110.86 2ywa h LEU 101 Ca 0.00 0.09 0.11 0.00 0.09 0.00 0.00 57.88 58.17 2ywa h LEU 101 Cb 0.97 0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.80 2ywa h LEU 101 CO 0.00 0.08 0.29 -0.65 0.09 0.00 0.00 178.44 178.25 2ywa h PRO 102 N 0.36 0.05 0.33 1.13 0.11 -1.78 0.56 132.00 132.75 2ywa h PRO 102 Ca 0.32 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 66.41 2ywa h PRO 102 Cb 0.45 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.55 2ywa h PRO 102 CO -0.36 0.04 -0.16 0.87 -0.21 0.00 0.00 178.00 178.18 2ywa h LYS 103 N 0.05 -0.42 -0.98 1.05 1.79 -1.39 -2.98 116.57 113.69 2ywa h LYS 103 Ca 0.19 0.03 0.21 0.00 -2.18 0.00 0.00 60.65 58.90 2ywa h LYS 103 Cb 0.70 0.10 -0.09 0.00 -1.58 0.00 0.00 32.23 31.36 2ywa h LYS 103 CO -0.01 -0.10 0.62 0.00 -1.08 0.00 0.00 179.45 178.87 2ywa h ALA 104 N -0.58 1.95 -0.57 3.86 0.00 -0.21 -0.06 119.26 123.65 2ywa h ALA 104 Ca -0.05 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.92 2ywa h ALA 104 Cb 0.52 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2ywa h ALA 104 CO 0.07 -0.30 0.34 1.25 0.00 0.00 0.00 179.25 180.62 2ywa h LEU 105 N 0.58 0.68 -0.95 0.00 5.85 0.14 -1.78 115.31 119.83 2ywa h LEU 105 Ca 0.55 -0.06 0.06 0.00 0.84 0.00 0.00 57.88 59.27 2ywa h LEU 105 Cb 1.10 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.90 2ywa h LEU 105 CO -0.30 0.54 0.61 -0.33 -0.34 0.00 0.00 178.44 178.61 2ywa h GLU 106 N 0.76 1.09 -0.69 1.25 5.08 -0.86 -1.52 114.58 119.70 2ywa h GLU 106 Ca 0.20 -0.07 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 2ywa h GLU 106 Cb -0.02 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 28.95 2ywa h GLU 106 CO -0.04 0.72 0.46 0.00 -1.00 0.00 0.00 179.01 179.15 2ywa h ARG 107 N 1.12 0.90 -0.27 2.33 -0.00 -1.06 0.18 114.38 117.57 2ywa h ARG 107 Ca 0.40 -0.05 -0.08 0.00 -0.50 0.00 0.00 59.98 59.75 2ywa h ARG 107 Cb 0.13 -0.20 -0.01 0.00 0.00 0.00 0.00 29.97 29.89 2ywa h ARG 107 CO -0.16 0.59 -0.16 0.74 0.00 0.00 0.00 179.97 180.98 2ywa h PHE 108 N 0.92 0.68 -0.58 3.04 0.04 -0.69 -0.90 116.94 119.46 2ywa h PHE 108 Ca 0.26 -0.18 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 2ywa h PHE 108 Cb -0.09 -0.15 -0.03 0.00 2.20 0.00 0.00 35.95 37.88 2ywa h PHE 108 CO -0.03 0.85 0.32 1.96 -0.60 0.00 0.00 178.31 180.81 2ywa h GLN 109 N 0.32 0.80 -0.56 1.51 4.20 -1.08 -0.81 115.11 119.49 2ywa h GLN 109 Ca 0.06 -0.08 -0.08 0.00 0.06 0.00 0.00 58.65 58.61 2ywa h GLN 109 Cb 0.68 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.28 2ywa h GLN 109 CO 0.05 0.59 0.04 1.49 -0.67 0.00 0.00 178.83 180.32 2ywa h GLU 110 N 0.81 0.93 -0.04 1.46 4.57 -0.37 -1.79 114.58 120.16 2ywa h GLU 110 Ca 0.21 -0.25 -0.01 0.00 -1.18 0.00 0.00 59.36 58.13 2ywa h GLU 110 Cb 0.02 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.50 2ywa h GLU 110 CO -0.03 0.90 -0.00 1.25 -1.18 0.00 0.00 179.01 179.94 2ywa h LEU 111 N 0.87 0.07 -0.19 1.64 5.85 0.16 -2.52 115.31 121.19 2ywa h LEU 111 Ca 0.17 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.59 2ywa h LEU 111 Cb 0.46 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.44 2ywa h LEU 111 CO 0.02 0.38 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.41 2ywa h LEU 112 N -0.25 -0.12 -1.53 2.25 3.38 -1.18 -0.73 115.31 117.13 2ywa h LEU 112 Ca 0.01 0.05 0.24 0.00 0.09 0.00 0.00 57.88 58.27 2ywa h LEU 112 Cb 0.35 0.10 -0.07 0.00 0.09 0.00 0.00 40.66 41.12 2ywa h LEU 112 CO 0.00 -0.04 0.65 -0.09 0.09 0.00 0.00 178.44 179.06 2ywa h ARG 113 N 0.03 0.33 0.00 1.13 2.43 -1.26 -0.97 114.38 116.07 2ywa h ARG 113 Ca 0.09 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 2ywa h ARG 113 Cb 0.13 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.60 2ywa h ARG 113 CO -0.17 0.22 -0.54 0.00 -1.51 0.00 0.00 179.97 177.97 2ywa h ARG 114 N 0.34 0.00 -0.99 0.20 3.08 -0.71 -3.31 114.38 112.98 2ywa h ARG 114 Ca 0.52 0.00 -0.05 0.00 0.07 0.00 0.00 59.98 60.52 2ywa h ARG 114 Cb 1.43 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 31.45 2ywa h ARG 114 CO -0.20 0.00 0.07 1.28 -1.07 0.00 0.00 179.97 180.05 2ywa n LEU 115 N -2.46 3.07 0.00 3.04 4.77 -0.37 -5.09 117.00 119.97 2ywa n LEU 115 Ca 0.03 -1.56 0.00 0.00 -0.03 0.00 0.00 56.01 54.45 2ywa n LEU 115 Cb 0.48 -0.54 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 2ywa n LEU 115 CO 0.36 0.51 0.00 1.21 -1.33 0.00 0.00 177.39 178.14