#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 6.27 -0.00 0.00 0.15 -1.26 -4.99 113.70 113.87 2ywa s SER 3 Ca 0.00 0.30 -0.21 0.00 0.70 0.00 0.00 55.95 56.74 2ywa s SER 3 Cb 0.00 -2.14 -0.21 0.00 -1.71 0.00 0.00 66.02 61.96 2ywa s SER 3 CO 0.00 0.07 1.14 0.25 1.20 0.00 0.00 173.24 175.91 2ywa h LEU 4 N 7.15 0.40 -1.46 3.45 5.85 -1.99 -2.64 115.31 126.07 2ywa h LEU 4 Ca -0.39 -0.69 0.20 0.00 0.84 0.00 0.00 57.88 57.84 2ywa h LEU 4 Cb 1.16 -0.12 -0.07 0.00 0.37 0.00 0.00 40.66 42.00 2ywa h LEU 4 CO 0.72 1.02 0.60 0.00 -0.34 0.00 0.00 178.44 180.44 2ywa h ALA 5 N 0.38 2.15 0.12 1.25 0.00 -2.00 -0.51 119.26 120.66 2ywa h ALA 5 Ca -0.03 0.02 -0.27 0.00 0.00 0.00 0.00 54.91 54.63 2ywa h ALA 5 Cb 1.04 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.80 2ywa h ALA 5 CO 0.07 -0.44 -1.22 -0.09 0.00 0.00 0.00 179.25 177.57 2ywa h ARG 6 N 0.45 0.29 -0.68 0.00 9.65 -1.98 -2.68 114.38 119.43 2ywa h ARG 6 Ca 0.48 -0.47 -0.05 0.00 -1.10 0.00 0.00 59.98 58.83 2ywa h ARG 6 Cb 1.13 0.17 -0.03 0.00 -1.39 0.00 0.00 29.97 29.85 2ywa h ARG 6 CO -0.19 1.22 0.22 0.00 2.80 0.00 0.00 179.97 184.01 2ywa h ALA 7 N 0.59 1.10 -0.21 2.80 0.00 -0.76 -1.31 119.26 121.46 2ywa h ALA 7 Ca -0.13 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.56 2ywa h ALA 7 Cb 1.94 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 2ywa h ALA 7 CO 0.20 0.62 0.09 0.28 0.00 0.00 0.00 179.25 180.44 2ywa h VAL 8 N 1.00 1.16 -1.00 0.00 2.07 -1.24 -1.85 116.25 116.40 2ywa h VAL 8 Ca 0.22 -0.50 0.19 0.00 0.82 0.00 0.00 66.70 67.44 2ywa h VAL 8 Cb 0.27 1.09 -0.10 0.00 -1.52 0.00 0.00 31.29 31.03 2ywa h VAL 8 CO -0.01 0.16 0.61 -0.08 0.02 0.00 0.00 177.57 178.28 2ywa h GLU 9 N 0.20 0.74 -0.12 1.57 4.81 -1.04 0.12 114.58 120.85 2ywa h GLU 9 Ca 0.07 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.12 2ywa h GLU 9 Cb 0.17 -0.17 -0.01 0.00 0.63 0.00 0.00 28.75 29.38 2ywa h GLU 9 CO -0.01 0.49 -0.54 0.00 -0.73 0.00 0.00 179.01 178.22 2ywa h ARG 10 N 0.76 0.35 0.07 1.92 3.08 -0.73 -2.05 114.38 117.77 2ywa h ARG 10 Ca 0.57 -0.21 -0.00 0.00 0.07 0.00 0.00 59.98 60.40 2ywa h ARG 10 Cb 0.90 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.97 2ywa h ARG 10 CO -0.36 0.80 -0.03 1.25 -1.07 0.00 0.00 179.97 180.55 2ywa h LEU 11 N 0.27 -0.08 -0.57 3.04 5.85 -0.28 -2.97 115.31 120.57 2ywa h LEU 11 Ca 0.01 -0.50 0.12 0.00 0.84 0.00 0.00 57.88 58.35 2ywa h LEU 11 Cb 1.03 0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.99 2ywa h LEU 11 CO 0.09 0.49 -0.01 0.50 -0.34 0.00 0.00 178.44 179.17 2ywa h LYS 12 N -0.69 0.10 -0.39 1.25 3.64 -0.89 -1.39 116.57 118.21 2ywa h LYS 12 Ca -0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 2ywa h LYS 12 Cb 0.57 -0.02 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 2ywa h LYS 12 CO 0.02 0.07 -0.54 0.00 -2.27 0.00 0.00 179.45 176.72 2ywa h ALA 13 N 1.53 -0.78 -0.24 5.00 0.00 -1.37 -0.72 119.26 122.67 2ywa h ALA 13 Ca 0.29 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.19 2ywa h ALA 13 Cb 0.46 1.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.36 2ywa h ALA 13 CO -0.50 -1.04 0.12 0.00 0.00 0.00 0.00 179.25 177.83 2ywa h ALA 14 N -0.09 1.75 0.00 0.00 0.00 -1.20 -2.48 119.26 117.24 2ywa h ALA 14 Ca 0.07 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.93 2ywa h ALA 14 Cb 0.58 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.27 2ywa h ALA 14 CO -0.58 0.21 0.00 -0.07 0.00 0.00 0.00 179.25 178.81 2ywa h LEU 15 N 0.33 0.00 0.00 0.00 4.07 -0.10 -3.10 115.31 116.51 2ywa h LEU 15 Ca 0.09 0.00 -0.16 0.00 0.08 0.00 0.00 57.88 57.88 2ywa h LEU 15 Cb 0.04 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 41.75 2ywa h LEU 15 CO -0.01 0.00 -1.20 -0.33 -1.08 0.00 0.00 178.44 175.82 2ywa h GLU 16 N 0.00 0.00 -7.27 1.13 5.08 -0.85 -3.47 114.58 109.20 2ywa h GLU 16 Ca 0.00 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.84 2ywa h GLU 16 Cb 0.63 0.00 0.19 0.00 0.50 0.00 0.00 28.75 30.08 2ywa h GLU 16 CO 0.00 0.39 0.23 1.03 -1.00 0.00 0.00 179.01 179.66 2ywa s ARG 17 N -2.90 1.05 -0.36 2.33 1.81 -1.17 -4.91 118.95 114.80 2ywa s ARG 17 Ca -0.01 1.52 -0.29 0.00 -1.72 0.00 0.00 55.73 55.22 2ywa s ARG 17 Cb 0.08 -1.73 0.02 0.00 -0.45 0.00 0.00 34.95 32.87 2ywa s ARG 17 CO 0.80 -2.60 1.17 -1.25 -0.68 0.00 0.00 175.30 172.74 2ywa s PRO 18 N -4.66 3.91 0.26 3.54 0.04 -1.26 -4.97 135.00 131.86 2ywa s PRO 18 Ca 0.66 0.98 -0.29 0.00 0.04 0.00 0.00 61.00 62.40 2ywa s PRO 18 Cb -0.22 -3.83 -0.15 0.00 0.04 0.00 0.00 34.50 30.34 2ywa s PRO 18 CO 0.58 -1.12 0.99 1.17 0.04 0.00 0.00 177.00 178.66 2ywa n LYS 19 N 7.30 1.19 -3.77 4.56 4.81 -1.26 -4.95 118.16 126.04 2ywa n LYS 19 Ca 0.13 0.42 -0.08 0.00 -0.87 0.00 0.00 58.31 57.91 2ywa n LYS 19 Cb 0.47 -1.77 -0.02 0.00 0.02 0.00 0.00 35.03 33.73 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 -0.51 -0.32 0.46 3.14 3.84 -1.26 -5.02 116.67 117.00 2ywa s ASP 20 Ca 0.62 -0.48 0.16 0.00 -0.00 0.00 0.00 52.55 52.84 2ywa s ASP 20 Cb -0.75 0.69 1.11 0.00 -1.38 0.00 0.00 42.92 42.60 2ywa s ASP 20 CO 0.58 -1.26 2.01 1.05 -0.00 0.00 0.00 175.17 177.55 2ywa h GLU 21 N 2.00 0.29 0.07 2.11 4.11 -1.98 0.37 114.58 121.55 2ywa h GLU 21 Ca -0.22 -0.02 -0.00 0.00 0.07 0.00 0.00 59.36 59.19 2ywa h GLU 21 Cb 1.26 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.45 2ywa h GLU 21 CO 0.26 0.19 -0.04 0.74 0.07 0.00 0.00 179.01 180.24 2ywa h PHE 22 N 0.30 -0.09 -0.16 2.06 -1.00 -1.99 -2.02 116.94 114.04 2ywa h PHE 22 Ca 0.23 -0.00 -0.05 0.00 2.81 0.00 0.00 57.97 60.96 2ywa h PHE 22 Cb 0.53 0.03 -0.01 0.00 3.61 0.00 0.00 35.95 40.11 2ywa h PHE 22 CO -0.00 0.38 -0.11 0.82 -1.61 0.00 0.00 178.31 177.79 2ywa h ILE 23 N -0.62 1.17 0.03 -0.55 1.08 -1.88 -1.07 117.51 115.68 2ywa h ILE 23 Ca -0.01 -0.76 -0.00 0.00 -0.39 0.00 0.00 64.86 63.70 2ywa h ILE 23 Cb 0.52 1.18 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 2ywa h ILE 23 CO 0.02 0.24 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.61 2ywa h ARG 24 N 0.24 -0.05 -0.79 2.37 2.43 -0.84 -0.86 114.38 116.88 2ywa h ARG 24 Ca 0.05 0.00 0.16 0.00 -0.81 0.00 0.00 59.98 59.39 2ywa h ARG 24 Cb 0.36 0.01 -0.11 0.00 -0.42 0.00 0.00 29.97 29.81 2ywa h ARG 24 CO 0.02 -0.03 0.31 -0.44 -1.51 0.00 0.00 179.97 178.31 2ywa h ASP 25 N -0.05 0.25 0.04 -3.80 3.32 -1.29 0.37 116.42 115.27 2ywa h ASP 25 Ca -0.00 0.13 -0.01 0.00 0.02 0.00 0.00 57.03 57.16 2ywa h ASP 25 Cb 0.04 0.12 -0.00 0.00 0.22 0.00 0.00 39.33 39.70 2ywa h ASP 25 CO 0.00 0.06 -0.04 0.77 -1.72 0.00 0.00 179.24 178.31 2ywa h SER 26 N 0.41 0.00 0.16 6.45 4.64 -1.11 0.12 113.55 124.21 2ywa h SER 26 Ca 0.45 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 2ywa h SER 26 Cb 0.75 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.84 2ywa h SER 26 CO -0.45 0.04 -0.07 0.00 -0.87 0.00 0.00 176.83 175.47 2ywa h ALA 27 N 1.96 -0.21 -0.38 5.18 0.00 0.12 -1.16 119.26 124.78 2ywa h ALA 27 Ca -0.00 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 54.80 2ywa h ALA 27 Cb 0.07 0.08 -0.08 0.00 0.00 0.00 0.00 17.79 17.86 2ywa h ALA 27 CO 0.01 -0.43 -0.13 0.82 0.00 0.00 0.00 179.25 179.52 2ywa h ILE 28 N -0.59 0.55 -0.04 0.00 2.04 -0.69 0.28 117.51 119.06 2ywa h ILE 28 Ca -0.02 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.87 2ywa h ILE 28 Cb 0.45 0.55 -0.06 0.00 -0.74 0.00 0.00 36.82 37.02 2ywa h ILE 28 CO 0.04 0.00 -0.38 -0.61 0.00 0.00 0.00 178.15 177.20 2ywa h GLN 29 N -0.05 -0.49 0.00 2.37 -0.00 -0.71 -0.20 115.11 116.03 2ywa h GLN 29 Ca 0.19 0.03 -0.01 0.00 -0.00 0.00 0.00 58.65 58.86 2ywa h GLN 29 Cb 0.33 0.11 -0.00 0.00 0.00 0.00 0.00 27.48 27.92 2ywa h GLN 29 CO -0.42 -0.33 -0.05 0.00 0.00 0.00 0.00 178.83 178.03 2ywa h ARG 30 N -0.51 0.00 -0.59 1.69 3.08 -0.43 -1.41 114.38 116.21 2ywa h ARG 30 Ca 0.06 0.00 -0.03 0.00 0.07 0.00 0.00 59.98 60.08 2ywa h ARG 30 Cb 0.61 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.64 2ywa h ARG 30 CO -0.32 0.05 0.24 0.35 -1.07 0.00 0.00 179.97 179.22 2ywa h PHE 31 N 0.00 0.90 0.78 3.04 3.57 0.13 -2.36 116.94 123.00 2ywa h PHE 31 Ca -0.00 -0.07 -0.04 0.00 3.53 0.00 0.00 57.97 61.40 2ywa h PHE 31 Cb 0.10 -0.27 0.01 0.00 2.79 0.00 0.00 35.95 38.58 2ywa h PHE 31 CO 0.00 0.72 -0.37 1.49 -2.23 0.00 0.00 178.31 177.92 2ywa h GLU 32 N 0.82 -1.00 0.00 1.11 4.81 -0.50 -2.07 114.58 117.75 2ywa h GLU 32 Ca 0.20 0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.50 2ywa h GLU 32 Cb 0.20 0.23 0.00 0.00 0.63 0.00 0.00 28.75 29.80 2ywa h GLU 32 CO -0.02 -0.65 0.00 0.27 -0.73 0.00 0.00 179.01 177.88 2ywa h PHE 33 N -1.20 0.00 -0.08 0.92 -5.15 -1.57 0.84 116.94 110.70 2ywa h PHE 33 Ca -0.11 0.00 -0.23 0.00 -0.20 0.00 0.00 57.97 57.44 2ywa h PHE 33 Cb 0.81 0.00 0.01 0.00 0.22 0.00 0.00 35.95 36.99 2ywa h PHE 33 CO -0.00 0.00 -0.85 1.15 -2.00 0.00 0.00 178.31 176.60 2ywa h THR 34 N 0.00 1.31 -0.35 0.88 2.02 -1.25 -2.78 112.91 112.74 2ywa h THR 34 Ca 0.00 -2.13 -0.09 0.00 0.77 0.00 0.00 66.41 64.96 2ywa h THR 34 Cb 0.10 2.15 -0.02 0.00 -1.74 0.00 0.00 68.15 68.65 2ywa h THR 34 CO 0.00 0.66 -0.16 0.15 0.37 0.00 0.00 175.52 176.54 2ywa h PHE 35 N 0.42 0.69 -0.05 3.16 3.04 -0.16 -0.49 116.94 123.55 2ywa h PHE 35 Ca -0.07 -0.13 -0.00 0.00 3.98 0.00 0.00 57.97 61.75 2ywa h PHE 35 Cb 1.48 -0.18 -0.00 0.00 2.56 0.00 0.00 35.95 39.81 2ywa h PHE 35 CO 0.08 0.76 0.03 1.49 -2.02 0.00 0.00 178.31 178.64 2ywa h GLU 36 N 0.57 0.07 0.00 1.11 4.57 -1.17 -1.47 114.58 118.27 2ywa h GLU 36 Ca 0.09 -0.01 -0.06 0.00 -1.18 0.00 0.00 59.36 58.21 2ywa h GLU 36 Cb 0.60 -0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 29.17 2ywa h GLU 36 CO 0.04 0.14 -0.27 -0.07 -1.18 0.00 0.00 179.01 177.67 2ywa h LEU 37 N -0.01 0.00 0.56 1.64 3.38 -1.32 -2.57 115.31 117.00 2ywa h LEU 37 Ca 0.02 0.00 -0.03 0.00 0.09 0.00 0.00 57.88 57.96 2ywa h LEU 37 Cb 0.09 0.00 0.01 0.00 0.09 0.00 0.00 40.66 40.84 2ywa h LEU 37 CO -0.00 0.27 -0.27 0.00 0.09 0.00 0.00 178.44 178.52 2ywa h ALA 38 N 1.73 -0.76 -0.57 1.53 0.00 -0.50 -1.51 119.26 119.19 2ywa h ALA 38 Ca -0.00 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 2ywa h ALA 38 Cb 0.49 0.29 -0.03 0.00 0.00 0.00 0.00 17.79 18.55 2ywa h ALA 38 CO 0.03 -0.78 0.15 0.11 0.00 0.00 0.00 179.25 178.77 2ywa h TRP 39 N -1.05 0.90 -0.54 0.00 5.08 -1.29 -0.52 115.95 118.53 2ywa h TRP 39 Ca -0.08 -0.08 -0.01 0.00 1.08 0.00 0.00 58.89 59.80 2ywa h TRP 39 Cb 0.64 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 26.51 2ywa h TRP 39 CO 0.01 0.74 0.31 0.87 -1.28 0.00 0.00 178.44 179.09 2ywa h LYS 40 N 0.84 0.73 0.65 0.12 1.79 -1.48 0.57 116.57 119.79 2ywa h LYS 40 Ca 0.19 -0.06 -0.03 0.00 -2.18 0.00 0.00 60.65 58.56 2ywa h LYS 40 Cb 0.29 -0.15 0.00 0.00 -1.58 0.00 0.00 32.23 30.79 2ywa h LYS 40 CO -0.00 0.53 -0.33 1.15 -1.08 0.00 0.00 179.45 179.71 2ywa h THR 41 N 0.74 0.32 -0.73 -0.16 2.02 -0.03 -1.09 112.91 113.98 2ywa h THR 41 Ca 0.19 0.00 0.15 0.00 0.77 0.00 0.00 66.41 67.52 2ywa h THR 41 Cb -0.00 0.32 -0.10 0.00 -1.74 0.00 0.00 68.15 66.62 2ywa h THR 41 CO -0.03 0.00 0.23 -0.07 0.37 0.00 0.00 175.52 176.01 2ywa h LEU 42 N -0.90 0.13 0.01 2.58 3.38 -0.67 -0.93 115.31 118.90 2ywa h LEU 42 Ca -0.09 0.13 0.00 0.00 0.09 0.00 0.00 57.88 58.01 2ywa h LEU 42 Cb 0.70 0.15 -0.00 0.00 0.09 0.00 0.00 40.66 41.60 2ywa h LEU 42 CO 0.13 0.03 -0.03 0.50 0.09 0.00 0.00 178.44 179.16 2ywa h LYS 43 N 0.34 -0.04 -0.73 1.13 3.64 -0.48 0.15 116.57 120.58 2ywa h LYS 43 Ca 0.41 0.00 0.13 0.00 -1.27 0.00 0.00 60.65 59.92 2ywa h LYS 43 Cb 0.66 0.01 -0.14 0.00 -0.41 0.00 0.00 32.23 32.35 2ywa h LYS 43 CO -0.45 -0.03 -0.27 1.15 -2.27 0.00 0.00 179.45 177.58 2ywa h THR 44 N -0.04 0.18 -0.04 1.00 2.02 -0.83 0.25 112.91 115.44 2ywa h THR 44 Ca -0.00 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.21 2ywa h THR 44 Cb 0.04 0.18 -0.05 0.00 -1.74 0.00 0.00 68.15 66.58 2ywa h THR 44 CO -0.01 0.00 -0.27 0.15 0.37 0.00 0.00 175.52 175.75 2ywa h PHE 45 N -0.07 -0.74 -0.17 3.16 3.57 -0.93 -0.40 116.94 121.35 2ywa h PHE 45 Ca 0.31 0.03 0.02 0.00 3.53 0.00 0.00 57.97 61.86 2ywa h PHE 45 Cb 0.56 0.33 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 2ywa h PHE 45 CO -0.65 -0.36 0.05 -0.07 -2.23 0.00 0.00 178.31 175.04 2ywa h LEU 46 N -0.40 0.04 -1.28 0.59 3.38 0.12 -2.33 115.31 115.44 2ywa h LEU 46 Ca 0.07 0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.13 2ywa h LEU 46 Cb 0.50 0.02 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 2ywa h LEU 46 CO -0.26 0.05 0.53 -0.33 0.09 0.00 0.00 178.44 178.51 2ywa h GLU 47 N 0.13 0.85 -0.73 1.13 5.08 -0.36 -1.93 114.58 118.75 2ywa h GLU 47 Ca 0.08 -0.05 0.15 0.00 -1.00 0.00 0.00 59.36 58.53 2ywa h GLU 47 Cb 0.05 -0.19 -0.14 0.00 0.50 0.00 0.00 28.75 28.98 2ywa h GLU 47 CO -0.09 0.56 -0.17 1.25 -1.00 0.00 0.00 179.01 179.56 2ywa h LEU 48 N 0.87 -0.66 -6.39 1.33 5.85 -0.49 -1.89 115.31 113.92 2ywa h LEU 48 Ca 0.35 0.22 -0.81 0.00 0.84 0.00 0.00 57.88 58.47 2ywa h LEU 48 Cb 0.23 0.45 -0.27 0.00 0.37 0.00 0.00 40.66 41.44 2ywa h LEU 48 CO -0.12 -0.24 0.98 0.00 -0.34 0.00 0.00 178.44 178.72 2ywa n GLN 49 N -5.48 5.25 0.00 1.25 10.64 -0.73 -4.93 117.38 123.38 2ywa n GLN 49 Ca 0.10 -4.65 0.00 0.00 -1.83 0.00 0.00 57.00 50.62 2ywa n GLN 49 Cb 0.37 -2.48 0.00 0.00 -0.86 0.00 0.00 30.24 27.28 2ywa n GLN 49 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.06 175.64 2ywa n GLY 50 N 0.24 0.75 3.01 2.61 0.00 -0.71 -4.94 105.19 106.15 2ywa n GLY 50 Ca 0.42 -0.01 -0.36 0.00 0.00 0.00 0.00 46.02 46.07 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 -5.91 -3.89 0.99 4.77 -1.21 -4.79 117.00 106.96 2ywa n LEU 51 Ca 0.00 0.19 -0.15 0.00 -0.03 0.00 0.00 56.01 56.02 2ywa n LEU 51 Cb 0.00 -0.77 -0.15 0.00 -2.33 0.00 0.00 43.42 40.17 2ywa n LEU 51 CO 0.00 -5.99 -0.38 -1.83 -1.33 0.00 0.00 177.39 167.85 2ywa s GLU 52 N -2.02 0.29 -0.18 3.23 -1.05 -1.26 -3.29 118.70 114.41 2ywa s GLU 52 Ca 0.41 -0.06 0.01 0.00 -0.15 0.00 0.00 54.97 55.17 2ywa s GLU 52 Cb -0.18 -0.33 0.04 0.00 -0.44 0.00 0.00 34.13 33.21 2ywa s GLU 52 CO 0.82 0.00 -0.11 0.00 0.95 0.00 0.00 175.26 176.93 2ywa s ALA 53 N 0.28 1.91 -2.55 -0.84 0.00 -1.26 -4.94 121.76 114.35 2ywa s ALA 53 Ca -0.03 -1.07 0.21 0.00 0.00 0.00 0.00 51.96 51.08 2ywa s ALA 53 Cb -0.05 -1.19 0.24 0.00 0.00 0.00 0.00 23.12 22.11 2ywa s ALA 53 CO -0.01 -0.67 1.23 0.54 0.00 0.00 0.00 175.76 176.86 2ywa n ARG 54 N 4.73 2.11 -3.47 0.00 1.74 -1.26 -4.91 116.66 115.60 2ywa n ARG 54 Ca -0.15 -1.90 -0.14 0.00 -0.77 0.00 0.00 57.85 54.88 2ywa n ARG 54 Cb 0.48 -1.43 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 2ywa n ARG 54 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2ywa s SER 55 N -1.67 -0.60 0.15 0.55 1.04 -1.26 -5.05 113.70 106.86 2ywa s SER 55 Ca 0.28 0.30 -0.27 0.00 0.48 0.00 0.00 55.95 56.74 2ywa s SER 55 Cb 0.19 0.57 -0.01 0.00 0.10 0.00 0.00 66.02 66.86 2ywa s SER 55 CO 0.27 -0.80 1.57 -0.65 0.98 0.00 0.00 173.24 174.61 2ywa h PRO 56 N 2.42 -0.33 -0.90 4.02 0.11 -1.94 -0.89 132.00 134.49 2ywa h PRO 56 Ca -0.31 0.02 0.17 0.00 0.11 0.00 0.00 66.00 65.99 2ywa h PRO 56 Cb 1.24 0.08 -0.10 0.00 0.11 0.00 0.00 31.00 32.32 2ywa h PRO 56 CO 0.38 -0.22 0.48 -0.09 -0.21 0.00 0.00 178.00 178.33 2ywa h ARG 57 N -0.35 0.61 -0.39 1.05 2.43 -1.99 0.16 114.38 115.91 2ywa h ARG 57 Ca 0.13 -0.04 -0.07 0.00 -0.81 0.00 0.00 59.98 59.19 2ywa h ARG 57 Cb 0.59 -0.14 -0.02 0.00 -0.42 0.00 0.00 29.97 29.98 2ywa h ARG 57 CO -0.55 0.41 -0.04 0.00 -1.51 0.00 0.00 179.97 178.27 2ywa h ALA 58 N 1.60 1.21 -0.29 2.80 0.00 -1.66 0.66 119.26 123.58 2ywa h ALA 58 Ca 0.51 -0.25 -0.12 0.00 0.00 0.00 0.00 54.91 55.04 2ywa h ALA 58 Cb 0.77 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.39 2ywa h ALA 58 CO -0.39 0.52 -0.33 0.00 0.00 0.00 0.00 179.25 179.05 2ywa h ALA 59 N 1.36 0.88 0.63 0.00 0.00 0.49 0.51 119.26 123.14 2ywa h ALA 59 Ca 0.12 -0.41 -0.03 0.00 0.00 0.00 0.00 54.91 54.59 2ywa h ALA 59 Cb 0.44 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.11 2ywa h ALA 59 CO 0.02 0.63 -0.30 0.82 0.00 0.00 0.00 179.25 180.42 2ywa h ILE 60 N 0.53 0.20 -0.94 0.00 1.08 -0.31 -1.64 117.51 116.43 2ywa h ILE 60 Ca 0.06 -0.32 0.16 0.00 -0.39 0.00 0.00 64.86 64.37 2ywa h ILE 60 Cb 0.83 0.27 -0.10 0.00 -3.07 0.00 0.00 36.82 34.75 2ywa h ILE 60 CO 0.07 0.03 0.54 -0.09 -0.69 0.00 0.00 178.15 178.00 2ywa h ARG 61 N -1.10 0.71 0.53 2.37 9.65 -0.78 -1.07 114.38 124.69 2ywa h ARG 61 Ca -0.09 -0.04 -0.03 0.00 -1.10 0.00 0.00 59.98 58.73 2ywa h ARG 61 Cb 0.69 -0.16 0.01 0.00 -1.39 0.00 0.00 29.97 29.11 2ywa h ARG 61 CO 0.14 0.47 -0.26 0.78 2.80 0.00 0.00 179.97 183.90 2ywa h GLY 62 N 0.73 -0.75 0.89 2.80 0.00 0.14 -2.58 103.07 104.31 2ywa h GLY 62 Ca 0.52 0.28 0.09 0.00 0.00 0.00 0.00 47.33 48.22 2ywa h GLY 62 CO -0.36 -0.27 0.50 0.00 0.00 0.00 0.00 176.54 176.41 2ywa h ALA 63 N -0.37 1.78 0.12 3.60 0.00 -0.73 0.53 119.26 124.18 2ywa h ALA 63 Ca -0.07 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 2ywa h ALA 63 Cb 0.58 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 2ywa h ALA 63 CO 0.12 0.07 -0.08 0.74 0.00 0.00 0.00 179.25 180.10 2ywa h PHE 64 N 0.70 -0.20 0.08 0.00 0.04 -1.05 -2.93 116.94 113.59 2ywa h PHE 64 Ca 0.35 -0.00 -0.00 0.00 2.80 0.00 0.00 57.97 61.11 2ywa h PHE 64 Cb 0.43 0.07 0.00 0.00 2.20 0.00 0.00 35.95 38.65 2ywa h PHE 64 CO -0.00 -0.12 -0.04 -0.56 -0.60 0.00 0.00 178.31 176.99 2ywa h GLN 65 N -0.19 -0.11 -0.57 1.51 3.07 -0.99 -3.13 115.11 114.70 2ywa h GLN 65 Ca -0.01 0.01 0.00 0.00 0.09 0.00 0.00 58.65 58.74 2ywa h GLN 65 Cb 0.17 0.02 0.00 0.00 0.08 0.00 0.00 27.48 27.75 2ywa h GLN 65 CO 0.00 0.39 0.00 1.55 0.09 0.00 0.00 178.83 180.86 2ywa n VAL 66 N -4.89 0.06 0.00 1.86 3.14 0.12 -4.86 118.33 113.76 2ywa n VAL 66 Ca -0.08 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.30 2ywa n VAL 66 Cb 0.27 -0.25 0.00 0.00 -1.06 0.00 0.00 33.84 32.81 2ywa n VAL 66 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2ywa n GLY 67 N 0.45 2.03 0.00 7.55 0.00 -1.11 -4.91 105.19 109.19 2ywa n GLY 67 Ca 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -4.77 0.99 7.94 -1.21 -4.16 117.00 115.79 2ywa n LEU 68 Ca 0.00 0.00 -0.39 0.00 -1.11 0.00 0.00 56.01 54.51 2ywa n LEU 68 Cb 0.00 0.00 -0.06 0.00 0.53 0.00 0.00 43.42 43.89 2ywa n LEU 68 CO 0.00 0.00 0.44 -0.76 -1.11 0.00 0.00 177.39 175.96 2ywa s LEU 69 N 0.00 4.52 0.28 -1.96 1.43 -1.20 -4.99 118.68 116.76 2ywa s LEU 69 Ca 0.00 1.51 -0.29 0.00 -1.03 0.00 0.00 54.13 54.32 2ywa s LEU 69 Cb 0.00 -3.21 -0.09 0.00 0.03 0.00 0.00 46.19 42.92 2ywa s LEU 69 CO 0.00 0.14 1.01 -2.16 0.23 0.00 0.00 176.35 175.57 2ywa s PRO 70 N -0.68 4.67 -0.93 1.29 0.04 -1.26 -4.26 135.00 133.88 2ywa s PRO 70 Ca 0.36 1.60 -0.18 0.00 0.04 0.00 0.00 61.00 62.82 2ywa s PRO 70 Cb -0.21 -3.12 -0.26 0.00 0.04 0.00 0.00 34.50 30.94 2ywa s PRO 70 CO 0.24 0.31 2.23 0.39 0.04 0.00 0.00 177.00 180.21 2ywa n GLU 71 N 1.11 0.00 -3.81 4.56 -0.58 -1.26 -4.89 120.64 115.78 2ywa n GLU 71 Ca -0.01 0.00 -0.30 0.00 -0.42 0.00 0.00 57.16 56.44 2ywa n GLU 71 Cb 0.47 -1.15 -0.15 0.00 -0.57 0.00 0.00 31.44 30.04 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 3.94 3.96 0.24 1.62 -1.08 -1.26 -4.98 116.67 119.12 2ywa s ASP 72 Ca 1.24 -1.53 0.15 0.00 -0.52 0.00 0.00 52.55 51.89 2ywa s ASP 72 Cb -0.97 -0.99 0.84 0.00 -1.46 0.00 0.00 42.92 40.34 2ywa s ASP 72 CO 0.49 -0.37 1.45 -0.81 0.52 0.00 0.00 175.17 176.46 2ywa n PRO 73 N 4.76 0.10 0.17 4.34 -0.04 -1.26 -1.91 135.00 141.15 2ywa n PRO 73 Ca -0.04 0.59 0.02 0.00 -0.04 0.00 0.00 63.50 64.03 2ywa n PRO 73 Cb 0.43 -1.87 0.36 0.00 -0.04 0.00 0.00 33.50 32.38 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 0.08 -0.66 0.54 3.57 -1.98 -2.92 116.94 115.56 2ywa h PHE 74 Ca 0.00 -0.02 0.05 0.00 3.53 0.00 0.00 57.97 61.54 2ywa h PHE 74 Cb 0.08 -0.02 -0.05 0.00 2.79 0.00 0.00 35.95 38.75 2ywa h PHE 74 CO 0.00 0.39 0.38 -1.49 -2.23 0.00 0.00 178.31 175.36 2ywa h TRP 75 N 0.06 0.69 0.00 0.41 4.06 -1.81 0.13 115.95 119.49 2ywa h TRP 75 Ca 0.01 0.02 -0.04 0.00 2.06 0.00 0.00 58.89 60.94 2ywa h TRP 75 Cb 0.61 -0.22 -0.01 0.00 -1.00 0.00 0.00 29.16 28.55 2ywa h TRP 75 CO 0.00 0.35 -0.17 -0.07 -3.56 0.00 0.00 178.44 174.99 2ywa h LEU 76 N 0.71 0.00 -1.47 -4.49 -0.00 -1.72 -1.57 115.31 106.77 2ywa h LEU 76 Ca 0.29 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 58.17 2ywa h LEU 76 Cb 0.15 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 40.81 2ywa h LEU 76 CO -0.16 0.17 0.00 1.21 -0.00 0.00 0.00 178.44 179.66 2ywa n GLU 77 N -4.26 0.47 0.00 1.13 2.13 0.45 -2.36 120.64 118.20 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 0.24 -1.25 0.00 0.00 0.27 0.00 0.00 31.44 30.70 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 0.50 0.00 -0.05 4.31 0.00 -0.59 -2.34 117.00 118.83 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 0.17 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.55 2ywa n LEU 79 CO 0.00 0.00 0.88 -0.33 0.00 0.00 0.00 177.39 177.94 2ywa h GLU 80 N 0.00 0.27 -0.64 1.96 4.39 -1.75 -2.88 114.58 115.94 2ywa h GLU 80 Ca 0.00 -0.04 0.03 0.00 0.34 0.00 0.00 59.36 59.68 2ywa h GLU 80 Cb 0.00 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.56 2ywa h GLU 80 CO 0.00 0.31 0.40 -0.07 -1.16 0.00 0.00 179.01 178.49 2ywa h LEU 81 N 0.17 0.65 -2.07 1.33 3.38 -1.77 -2.44 115.31 114.56 2ywa h LEU 81 Ca 0.06 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.13 2ywa h LEU 81 Cb 0.13 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.72 2ywa h LEU 81 CO -0.01 0.46 0.34 -0.09 0.09 0.00 0.00 178.44 179.23 2ywa h ARG 82 N 0.78 0.00 0.00 1.13 1.12 -1.80 0.19 114.38 115.80 2ywa h ARG 82 Ca 0.25 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 59.12 2ywa h ARG 82 Cb 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.97 2ywa h ARG 82 CO -0.10 0.00 -0.08 0.09 -3.11 0.00 0.00 179.97 176.78 2ywa n ASN 83 N -3.83 0.78 0.07 -3.80 5.03 -0.92 -3.56 115.26 109.03 2ywa n ASN 83 Ca 0.05 0.52 0.06 0.00 0.87 0.00 0.00 54.58 56.08 2ywa n ASN 83 Cb 0.50 -0.67 -0.04 0.00 -1.02 0.00 0.00 39.78 38.55 2ywa n ASN 83 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2ywa n LEU 84 N -2.22 0.85 -0.52 3.41 4.77 0.67 -4.31 117.00 119.65 2ywa n LEU 84 Ca 0.05 0.35 0.43 0.00 -0.03 0.00 0.00 56.01 56.81 2ywa n LEU 84 Cb 0.43 -0.00 0.70 0.00 -2.33 0.00 0.00 43.42 42.22 2ywa n LEU 84 CO 0.31 -0.04 1.26 0.35 -1.33 0.00 0.00 177.39 177.94 2ywa n THR 85 N -2.77 -0.18 1.28 -5.08 -2.24 -1.16 0.26 114.28 104.40 2ywa n THR 85 Ca -0.04 1.68 0.14 0.00 -2.27 0.00 0.00 64.05 63.56 2ywa n THR 85 Cb 0.68 -2.76 0.63 0.00 -2.10 0.00 0.00 70.33 66.78 2ywa n THR 85 CO 0.00 0.00 0.00 -0.46 -0.57 0.00 0.00 175.07 174.04 2ywa n ASN 86 N -4.45 0.20 -1.09 3.42 0.23 -1.26 -3.09 115.26 109.20 2ywa n ASN 86 Ca 0.40 -0.14 0.10 0.00 -0.53 0.00 0.00 54.58 54.41 2ywa n ASN 86 Cb 1.65 -0.22 0.26 0.00 -2.08 0.00 0.00 39.78 39.39 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 -1.25 0.77 0.64 -2.53 8.25 0.74 -4.57 115.22 117.27 2ywa n HIS 87 Ca 0.12 -0.48 0.00 0.00 -0.26 0.00 0.00 57.72 57.10 2ywa n HIS 87 Cb 0.28 -0.01 0.00 0.00 1.12 0.00 0.00 29.99 31.39 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 1.25 0.00 0.36 1.59 -2.24 -1.17 -2.45 114.28 111.63 2ywa n THR 88 Ca 0.20 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 62.09 2ywa n THR 88 Cb 0.55 -0.25 0.50 0.00 -2.10 0.00 0.00 70.33 69.03 2ywa n THR 88 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2ywa n TYR 89 N -0.11 0.79 -2.95 4.78 4.11 -1.26 -4.05 117.16 118.47 2ywa n TYR 89 Ca 0.00 0.32 -0.44 0.00 -0.00 0.00 0.00 57.90 57.79 2ywa n TYR 89 Cb 0.05 -1.02 -0.04 0.00 -0.00 0.00 0.00 39.34 38.33 2ywa n TYR 89 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2ywa s ASP 90 N -4.21 6.18 0.57 9.48 -1.08 -1.02 -4.95 116.67 121.64 2ywa s ASP 90 Ca 0.03 -1.15 0.28 0.00 -0.52 0.00 0.00 52.55 51.19 2ywa s ASP 90 Cb 0.09 -2.37 1.51 0.00 -1.46 0.00 0.00 42.92 40.68 2ywa s ASP 90 CO 0.36 -1.31 2.00 -0.33 0.52 0.00 0.00 175.17 176.40 2ywa h GLU 91 N 9.42 0.00 -0.25 4.34 5.08 -1.91 -1.16 114.58 130.10 2ywa h GLU 91 Ca -0.29 0.00 -0.13 0.00 -1.00 0.00 0.00 59.36 57.94 2ywa h GLU 91 Cb 1.08 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.32 2ywa h GLU 91 CO 1.15 0.00 -0.35 0.00 -1.00 0.00 0.00 179.01 178.81 2ywa h ALA 92 N 1.65 0.38 -0.21 3.43 0.00 -1.92 -2.61 119.26 119.99 2ywa h ALA 92 Ca 0.18 -0.43 -0.03 0.00 0.00 0.00 0.00 54.91 54.64 2ywa h ALA 92 Cb 0.90 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.60 2ywa h ALA 92 CO -0.00 0.45 0.01 1.25 0.00 0.00 0.00 179.25 180.95 2ywa h LEU 93 N 0.41 0.27 -0.25 0.00 5.85 -1.59 -0.29 115.31 119.70 2ywa h LEU 93 Ca 0.03 -0.03 -0.01 0.00 0.84 0.00 0.00 57.88 58.71 2ywa h LEU 93 Cb 0.93 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.88 2ywa h LEU 93 CO 0.08 0.32 0.12 0.00 -0.34 0.00 0.00 178.44 178.63 2ywa h ALA 94 N 1.72 0.32 -0.56 1.25 0.00 -1.19 -1.57 119.26 119.23 2ywa h ALA 94 Ca 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.85 2ywa h ALA 94 Cb 0.19 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2ywa h ALA 94 CO 0.00 -0.13 0.16 0.93 0.00 0.00 0.00 179.25 180.22 2ywa h GLU 95 N 0.27 0.89 -0.17 0.00 4.39 -1.02 -1.27 114.58 117.67 2ywa h GLU 95 Ca 0.09 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.60 2ywa h GLU 95 Cb 0.11 -0.12 -0.01 0.00 -0.10 0.00 0.00 28.75 28.62 2ywa h GLU 95 CO -0.01 0.81 0.12 -0.09 -1.16 0.00 0.00 179.01 178.68 2ywa h ARG 96 N 0.80 0.16 0.05 2.33 2.43 -0.82 -1.45 114.38 117.87 2ywa h ARG 96 Ca 0.18 -0.01 -0.11 0.00 -0.81 0.00 0.00 59.98 59.24 2ywa h ARG 96 Cb 0.30 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.82 2ywa h ARG 96 CO -0.00 0.10 -0.51 0.82 -1.51 0.00 0.00 179.97 178.87 2ywa h ILE 97 N 0.16 1.55 -0.08 1.20 2.04 -0.88 -3.31 117.51 118.19 2ywa h ILE 97 Ca 0.07 -2.39 0.02 0.00 1.00 0.00 0.00 64.86 63.56 2ywa h ILE 97 Cb 0.09 3.15 -0.00 0.00 -0.74 0.00 0.00 36.82 39.32 2ywa h ILE 97 CO -0.01 0.62 0.09 0.22 0.00 0.00 0.00 178.15 179.07 2ywa h TYR 98 N -0.75 0.00 0.00 1.37 5.03 -0.95 -1.02 116.97 120.65 2ywa h TYR 98 Ca -0.11 0.00 -0.02 0.00 2.58 0.00 0.00 58.73 61.18 2ywa h TYR 98 Cb 1.29 0.00 -0.00 0.00 1.55 0.00 0.00 36.73 39.57 2ywa h TYR 98 CO 0.22 0.00 -0.10 0.00 -1.32 0.00 0.00 178.16 176.96 2ywa h ALA 99 N 1.89 1.21 0.00 1.82 0.00 -1.35 -3.08 119.26 119.74 2ywa h ALA 99 Ca 0.04 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2ywa h ALA 99 Cb 0.23 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.00 2ywa h ALA 99 CO -0.00 0.13 -0.88 0.39 0.00 0.00 0.00 179.25 178.89 2ywa n GLU 100 N -3.51 1.44 -0.35 0.00 -0.58 -0.39 -4.59 120.64 112.65 2ywa n GLU 100 Ca -0.02 -0.02 0.09 0.00 -0.42 0.00 0.00 57.16 56.80 2ywa n GLU 100 Cb 0.24 -1.29 0.27 0.00 -0.57 0.00 0.00 31.44 30.09 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 0.87 -1.40 -4.62 3.38 -1.45 -1.30 115.31 110.79 2ywa h LEU 101 Ca 0.00 0.06 0.07 0.00 0.09 0.00 0.00 57.88 58.10 2ywa h LEU 101 Cb 0.43 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 41.02 2ywa h LEU 101 CO 0.00 0.42 0.47 -0.65 0.09 0.00 0.00 178.44 178.77 2ywa h PRO 102 N 0.91 0.70 -0.03 1.13 0.11 -1.81 0.16 132.00 133.18 2ywa h PRO 102 Ca 0.52 -0.04 -0.08 0.00 0.11 0.00 0.00 66.00 66.50 2ywa h PRO 102 Cb 0.62 -0.16 0.01 0.00 0.11 0.00 0.00 31.00 31.58 2ywa h PRO 102 CO -0.29 0.46 -0.30 0.87 -0.21 0.00 0.00 178.00 178.53 2ywa h LYS 103 N 0.72 0.26 -0.91 1.05 1.57 -1.59 -2.99 116.57 114.67 2ywa h LYS 103 Ca 0.31 -0.24 0.18 0.00 -1.87 0.00 0.00 60.65 59.04 2ywa h LYS 103 Cb 0.29 0.06 -0.07 0.00 0.08 0.00 0.00 32.23 32.58 2ywa h LYS 103 CO -0.10 0.92 0.59 0.00 -0.57 0.00 0.00 179.45 180.29 2ywa h ALA 104 N 0.34 2.02 -0.58 3.86 0.00 -0.60 0.44 119.26 124.75 2ywa h ALA 104 Ca -0.03 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.85 2ywa h ALA 104 Cb 1.00 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 2ywa h ALA 104 CO 0.06 -0.31 0.13 1.25 0.00 0.00 0.00 179.25 180.38 2ywa h LEU 105 N 0.54 0.84 -0.99 0.00 6.46 -0.62 -1.90 115.31 119.63 2ywa h LEU 105 Ca 0.48 -0.16 -0.05 0.00 -0.12 0.00 0.00 57.88 58.02 2ywa h LEU 105 Cb 1.01 -0.22 -0.03 0.00 -0.73 0.00 0.00 40.66 40.69 2ywa h LEU 105 CO -0.22 0.83 0.14 -0.33 -0.62 0.00 0.00 178.44 178.24 2ywa h GLU 106 N 0.86 0.86 -0.35 1.25 5.08 0.00 -0.97 114.58 121.32 2ywa h GLU 106 Ca 0.18 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.23 2ywa h GLU 106 Cb 0.33 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 2ywa h GLU 106 CO 0.00 0.78 -0.30 0.00 -1.00 0.00 0.00 179.01 178.49 2ywa h ARG 107 N 0.83 0.81 -0.34 2.33 2.47 -0.96 -1.90 114.38 117.63 2ywa h ARG 107 Ca 0.18 -0.41 -0.02 0.00 -1.26 0.00 0.00 59.98 58.46 2ywa h ARG 107 Cb 0.30 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.62 2ywa h ARG 107 CO -0.00 1.05 0.12 0.74 0.56 0.00 0.00 179.97 182.43 2ywa h PHE 108 N 0.60 0.54 -0.01 3.04 0.04 -1.05 -1.01 116.94 119.09 2ywa h PHE 108 Ca 0.06 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.78 2ywa h PHE 108 Cb 0.88 -0.16 -0.00 0.00 2.20 0.00 0.00 35.95 38.87 2ywa h PHE 108 CO 0.07 0.52 0.00 1.96 -0.60 0.00 0.00 178.31 180.26 2ywa h GLN 109 N 0.40 0.00 -0.02 1.51 4.20 -1.10 -0.81 115.11 119.28 2ywa h GLN 109 Ca 0.11 0.00 -0.02 0.00 0.06 0.00 0.00 58.65 58.80 2ywa h GLN 109 Cb 0.22 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.00 2ywa h GLN 109 CO -0.01 0.00 -0.08 1.49 -0.67 0.00 0.00 178.83 179.57 2ywa h GLU 110 N 0.00 0.09 -0.83 1.46 4.57 -0.63 -2.82 114.58 116.43 2ywa h GLU 110 Ca 0.00 -0.07 0.05 0.00 -1.18 0.00 0.00 59.36 58.16 2ywa h GLU 110 Cb 0.01 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 2ywa h GLU 110 CO -0.00 0.69 0.52 1.25 -1.18 0.00 0.00 179.01 180.29 2ywa h LEU 111 N -0.49 0.82 -0.92 1.64 5.85 -0.36 -0.80 115.31 121.06 2ywa h LEU 111 Ca -0.00 0.01 0.05 0.00 0.84 0.00 0.00 57.88 58.78 2ywa h LEU 111 Cb 0.70 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.51 2ywa h LEU 111 CO 0.02 0.54 0.59 -0.07 -0.34 0.00 0.00 178.44 179.18 2ywa h LEU 112 N 0.97 0.95 0.77 2.25 3.38 -1.19 -1.03 115.31 121.41 2ywa h LEU 112 Ca 0.35 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 58.29 2ywa h LEU 112 Cb 0.11 -0.20 0.01 0.00 0.09 0.00 0.00 40.66 40.67 2ywa h LEU 112 CO -0.15 0.63 -0.37 0.03 0.09 0.00 0.00 178.44 178.66 2ywa h ARG 113 N 1.10 -1.00 -0.47 1.13 3.08 -0.98 -3.16 114.38 114.06 2ywa h ARG 113 Ca 0.38 0.07 0.14 0.00 0.07 0.00 0.00 59.98 60.64 2ywa h ARG 113 Cb 0.10 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.36 2ywa h ARG 113 CO -0.15 -0.66 0.37 0.00 -1.07 0.00 0.00 179.97 178.45 2ywa h ARG 114 N -1.26 0.00 -0.31 0.04 3.08 -1.04 0.79 114.38 115.68 2ywa h ARG 114 Ca -0.11 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.94 2ywa h ARG 114 Cb 0.80 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.85 2ywa h ARG 114 CO 0.17 0.00 0.00 1.28 -1.07 0.00 0.00 179.97 180.35 2ywa n LEU 115 N -4.23 0.31 0.00 3.04 4.77 -0.40 -5.07 117.00 115.42 2ywa n LEU 115 Ca 0.08 -0.15 0.00 0.00 -0.03 0.00 0.00 56.01 55.91 2ywa n LEU 115 Cb 0.57 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 41.51 2ywa n LEU 115 CO 0.35 0.08 0.00 -0.62 -1.33 0.00 0.00 177.39 175.86