#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yx0 s HIS 2 N 0.00 2.54 -0.06 2.03 5.65 -1.26 -5.02 115.29 119.16 1yx0 s HIS 2 Ca 0.00 -1.50 -0.19 0.00 0.25 0.00 0.00 55.06 53.62 1yx0 s HIS 2 Cb 0.00 -1.78 -0.05 0.00 -1.18 0.00 0.00 32.58 29.57 1yx0 s HIS 2 CO 0.00 -0.75 0.52 0.42 -0.65 0.00 0.00 174.74 174.27 1yx0 s ILE 3 N 1.37 5.07 0.34 0.89 1.01 -1.26 -4.46 121.20 124.15 1yx0 s ILE 3 Ca 0.04 1.05 -0.02 0.00 0.00 0.00 0.00 60.65 61.72 1yx0 s ILE 3 Cb -0.13 -3.85 -0.00 0.00 0.01 0.00 0.00 42.46 38.49 1yx0 s ILE 3 CO -0.12 0.39 0.46 -0.54 0.00 0.00 0.00 174.94 175.13 1yx0 s LYS 4 N 0.14 1.88 0.10 2.79 1.02 -1.15 -5.04 119.74 119.48 1yx0 s LYS 4 Ca 0.28 -1.75 -0.19 0.00 0.02 0.00 0.00 55.97 54.32 1yx0 s LYS 4 Cb -0.16 0.44 -0.07 0.00 -0.52 0.00 0.00 37.83 37.51 1yx0 s LYS 4 CO 0.13 -0.77 0.60 0.42 -0.92 0.00 0.00 175.35 174.81 1yx0 s ILE 5 N -3.13 4.71 -0.04 2.17 1.01 -1.26 -1.23 121.20 123.42 1yx0 s ILE 5 Ca 0.31 1.22 -0.01 0.00 0.00 0.00 0.00 60.65 62.17 1yx0 s ILE 5 Cb -0.00 -3.90 0.03 0.00 0.01 0.00 0.00 42.46 38.60 1yx0 s ILE 5 CO 0.20 0.50 0.04 -0.62 0.00 0.00 0.00 174.94 175.06 1yx0 s ASP 6 N -1.21 1.04 -0.24 3.58 2.15 -0.57 -4.85 116.67 116.56 1yx0 s ASP 6 Ca 0.31 0.03 0.00 0.00 0.43 0.00 0.00 52.55 53.33 1yx0 s ASP 6 Cb -0.19 -0.21 0.04 0.00 -0.30 0.00 0.00 42.92 42.26 1yx0 s ASP 6 CO 0.20 -0.21 -0.10 1.51 -0.17 0.00 0.00 175.17 176.40 1yx0 s ASP 7 N 1.88 4.13 0.00 -0.34 1.47 -1.26 -4.37 116.67 118.17 1yx0 s ASP 7 Ca 0.02 -1.01 0.00 0.00 1.18 0.00 0.00 52.55 52.73 1yx0 s ASP 7 Cb -0.12 -1.59 0.00 0.00 -0.34 0.00 0.00 42.92 40.87 1yx0 s ASP 7 CO -0.03 -0.13 0.00 0.18 0.68 0.00 0.00 175.17 175.87 1yx0 n LEU 8 N 4.58 0.00 -4.37 2.11 7.99 -1.26 -4.84 117.00 121.21 1yx0 n LEU 8 Ca -0.16 0.00 -0.49 0.00 -0.01 0.00 0.00 56.01 55.35 1yx0 n LEU 8 Cb 0.46 0.00 -0.14 0.00 -0.11 0.00 0.00 43.42 43.63 1yx0 n LEU 8 CO 0.25 0.00 2.01 0.41 -1.51 0.00 0.00 177.39 178.54 1yx0 n THR 9 N 0.00 0.00 0.00 -5.08 -1.04 -1.26 -4.35 114.28 102.55 1yx0 n THR 9 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 1yx0 n THR 9 Cb 0.00 -0.50 0.00 0.00 -1.82 0.00 0.00 70.33 68.01 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1yx0 n GLY 10 N 6.88 2.56 0.11 3.41 0.00 -1.26 -4.93 105.19 111.95 1yx0 n GLY 10 Ca 0.61 -0.68 -0.07 0.00 0.00 0.00 0.00 46.02 45.88 1yx0 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yx0 h ARG 11 N 0.00 -0.14 -0.05 1.61 2.47 -1.99 -2.26 114.38 114.02 1yx0 h ARG 11 Ca 0.00 0.01 0.02 0.00 -1.26 0.00 0.00 59.98 58.74 1yx0 h ARG 11 Cb 0.00 0.03 -0.00 0.00 -1.65 0.00 0.00 29.97 28.35 1yx0 h ARG 11 CO 0.00 0.18 0.06 1.96 0.56 0.00 0.00 179.97 182.73 1yx0 h GLN 12 N -0.99 0.00 -0.05 0.04 1.08 -1.97 1.23 115.11 114.45 1yx0 h GLN 12 Ca -0.01 0.00 -0.08 0.00 -1.45 0.00 0.00 58.65 57.10 1yx0 h GLN 12 Cb 0.38 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.81 1yx0 h GLN 12 CO 0.02 0.00 -0.30 0.28 -0.95 0.00 0.00 178.83 177.89 1yx0 h VAL 13 N 0.00 1.45 -0.05 -0.54 2.07 -1.93 -2.20 116.25 115.05 1yx0 h VAL 13 Ca 0.02 -1.76 -0.06 0.00 0.82 0.00 0.00 66.70 65.72 1yx0 h VAL 13 Cb 0.14 2.43 0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1yx0 h VAL 13 CO -0.00 0.50 -0.22 0.58 0.02 0.00 0.00 177.57 178.45 1yx0 h VAL 14 N -0.25 1.45 -0.99 2.57 2.07 -0.59 -2.87 116.25 117.64 1yx0 h VAL 14 Ca -0.02 -1.65 0.19 0.00 0.82 0.00 0.00 66.70 66.04 1yx0 h VAL 14 Cb 0.97 2.38 -0.10 0.00 -1.52 0.00 0.00 31.29 33.02 1yx0 h VAL 14 CO 0.06 0.46 0.61 -1.28 0.02 0.00 0.00 177.57 177.45 1yx0 h SER 15 N -0.30 0.72 -0.51 0.57 0.87 0.14 0.66 113.55 115.70 1yx0 h SER 15 Ca -0.01 0.09 -0.04 0.00 -1.23 0.00 0.00 61.79 60.60 1yx0 h SER 15 Cb 0.86 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 62.76 1yx0 h SER 15 CO 0.05 0.26 0.17 0.25 -0.53 0.00 0.00 176.83 177.02 1yx0 h LEU 16 N 0.70 0.73 -1.22 2.23 7.12 -1.35 -1.81 115.31 121.71 1yx0 h LEU 16 Ca 0.56 -0.20 -0.07 0.00 0.13 0.00 0.00 57.88 58.31 1yx0 h LEU 16 Cb 0.96 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.89 1yx0 h LEU 16 CO -0.34 0.73 -0.32 0.58 -0.13 0.00 0.00 178.44 178.96 1yx0 h VAL 17 N 0.69 0.90 0.00 1.05 2.07 -0.25 -1.50 116.25 119.21 1yx0 h VAL 17 Ca 0.16 -1.26 0.00 0.00 0.82 0.00 0.00 66.70 66.43 1yx0 h VAL 17 Cb 0.26 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 31.77 1yx0 h VAL 17 CO -0.01 0.31 0.00 0.59 0.02 0.00 0.00 177.57 178.49 1yx0 n ASN 18 N -3.68 0.41 -2.84 0.57 3.02 0.19 -4.92 115.26 108.01 1yx0 n ASN 18 Ca -0.01 0.61 -0.00 0.00 -0.03 0.00 0.00 54.58 55.15 1yx0 n ASN 18 Cb 0.43 -0.69 0.00 0.00 -0.61 0.00 0.00 39.78 38.91 1yx0 n ASN 18 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1yx0 n GLU 19 N -1.96 -2.69 -0.08 3.52 1.02 -0.56 -4.98 120.64 114.91 1yx0 n GLU 19 Ca 0.02 2.29 -0.10 0.00 -0.02 0.00 0.00 57.16 59.35 1yx0 n GLU 19 Cb 0.19 -4.28 -0.06 0.00 -0.02 0.00 0.00 31.44 27.28 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.25 1.18 0.00 0.00 177.13 179.56 1yx0 h HIS 20 N 3.19 0.00 -0.50 -0.32 -0.00 -1.80 -3.38 115.15 112.35 1yx0 h HIS 20 Ca -0.00 0.00 0.09 0.00 -0.00 0.00 0.00 60.37 60.45 1yx0 h HIS 20 Cb 0.27 0.00 -0.07 0.00 -0.00 0.00 0.00 27.41 27.61 1yx0 h HIS 20 CO 0.01 0.56 0.09 -0.07 -0.00 0.00 0.00 177.93 178.52 1yx0 h LEU 21 N -1.00 -0.02 -9.86 0.26 4.07 -1.94 -3.40 115.31 103.42 1yx0 h LEU 21 Ca -0.10 0.09 -0.52 0.00 0.08 0.00 0.00 57.88 57.43 1yx0 h LEU 21 Cb 0.71 0.13 0.06 0.00 1.08 0.00 0.00 40.66 42.64 1yx0 h LEU 21 CO -0.06 0.02 0.62 -2.28 -1.08 0.00 0.00 178.44 175.66 1yx0 s HIS 22 N -6.14 3.13 -0.01 1.13 5.65 -1.26 -5.00 115.29 112.78 1yx0 s HIS 22 Ca -0.13 1.44 -0.16 0.00 0.25 0.00 0.00 55.06 56.46 1yx0 s HIS 22 Cb 0.16 -3.63 -0.06 0.00 -1.18 0.00 0.00 32.58 27.87 1yx0 s HIS 22 CO 0.73 -1.69 0.43 -1.54 -0.65 0.00 0.00 174.74 172.01 1yx0 s SER 23 N -0.50 6.82 -0.33 9.88 1.04 -1.26 -4.91 113.70 124.43 1yx0 s SER 23 Ca 0.49 0.97 0.03 0.00 0.48 0.00 0.00 55.95 57.92 1yx0 s SER 23 Cb -0.39 -2.27 0.10 0.00 0.10 0.00 0.00 66.02 63.57 1yx0 s SER 23 CO 0.51 0.28 0.05 -0.04 0.98 0.00 0.00 173.24 175.01 1yx0 s MET 24 N -0.85 1.44 0.12 4.02 -1.94 -1.26 -4.91 119.30 115.93 1yx0 s MET 24 Ca 0.24 -1.77 0.00 0.00 -1.71 0.00 0.00 55.69 52.45 1yx0 s MET 24 Cb -0.17 -3.08 0.00 0.00 2.01 0.00 0.00 34.83 33.59 1yx0 s MET 24 CO 0.13 -0.92 0.00 2.41 -0.01 0.00 0.00 175.02 176.63 1yx0 n THR 25 N 4.32 0.66 0.00 2.05 -1.04 -1.26 -5.02 114.28 113.99 1yx0 n THR 25 Ca 0.03 0.22 0.00 0.00 -2.04 0.00 0.00 64.05 62.25 1yx0 n THR 25 Cb 0.42 -1.13 0.00 0.00 -1.82 0.00 0.00 70.33 67.80 1yx0 n THR 25 CO 0.00 0.00 0.00 0.18 -0.64 0.00 0.00 175.07 174.61 1yx0 n LEU 26 N -3.27 0.00 -2.67 -4.42 4.77 -1.26 -2.76 117.00 107.39 1yx0 n LEU 26 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 1yx0 n LEU 26 Cb 0.00 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.13 1yx0 n LEU 26 CO 0.00 0.00 0.62 1.15 -1.33 0.00 0.00 177.39 177.83 1yx0 n MET 27 N 0.00 0.38 -3.61 3.23 0.00 -1.26 -5.14 117.12 110.72 1yx0 n MET 27 Ca 0.00 -0.94 -0.01 0.00 0.00 0.00 0.00 57.70 56.75 1yx0 n MET 27 Cb 0.00 -0.10 -0.06 0.00 0.00 0.00 0.00 33.22 33.06 1yx0 n MET 27 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 1yx0 s SER 28 N -0.40 -0.42 0.93 3.17 1.04 -1.11 -5.09 113.70 111.82 1yx0 s SER 28 Ca 0.11 0.66 -0.13 0.00 0.48 0.00 0.00 55.95 57.07 1yx0 s SER 28 Cb 0.17 1.22 0.15 0.00 0.10 0.00 0.00 66.02 67.66 1yx0 s SER 28 CO -0.07 -0.10 1.15 -2.16 0.98 0.00 0.00 173.24 173.04 1yx0 s PRO 29 N 1.41 0.94 -0.42 4.02 0.04 -1.26 -4.75 135.00 134.98 1yx0 s PRO 29 Ca -0.08 0.21 -0.29 0.00 0.04 0.00 0.00 61.00 60.88 1yx0 s PRO 29 Cb -0.04 -1.82 0.01 0.00 0.04 0.00 0.00 34.50 32.69 1yx0 s PRO 29 CO -0.14 -2.32 1.42 -1.25 0.04 0.00 0.00 177.00 174.75 1yx0 s PRO 30 N -5.34 3.55 0.00 0.56 0.04 -1.26 -4.90 135.00 127.65 1yx0 s PRO 30 Ca 0.65 0.91 0.00 0.00 0.04 0.00 0.00 61.00 62.60 1yx0 s PRO 30 Cb -0.14 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.37 1yx0 s PRO 30 CO 0.53 -1.60 0.00 -0.85 0.04 0.00 0.00 177.00 175.13 1yx0 n GLU 31 N 8.12 0.00 -1.05 4.56 0.28 -1.26 -5.02 120.64 126.28 1yx0 n GLU 31 Ca 0.16 0.00 -0.20 0.00 -0.16 0.00 0.00 57.16 56.96 1yx0 n GLU 31 Cb 0.48 0.00 0.02 0.00 1.43 0.00 0.00 31.44 33.37 1yx0 n GLU 31 CO 0.00 0.00 0.00 -1.13 -0.16 0.00 0.00 177.13 175.84 1yx0 n SER 32 N 0.00 6.58 -0.03 -1.84 3.41 -1.26 -3.67 113.62 116.81 1yx0 n SER 32 Ca 0.00 -3.16 0.01 0.00 -0.26 0.00 0.00 58.87 55.46 1yx0 n SER 32 Cb 0.00 -1.09 0.00 0.00 -0.26 0.00 0.00 64.21 62.87 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1yx0 n ILE 33 N 0.34 0.00 0.06 -1.33 2.08 -1.26 -4.85 119.36 114.40 1yx0 n ILE 33 Ca 0.36 -0.49 0.00 0.00 0.56 0.00 0.00 62.75 63.19 1yx0 n ILE 33 Cb 0.58 1.02 0.00 0.00 -0.75 0.00 0.00 39.64 40.49 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 0.56 0.00 0.00 176.55 178.68 1yx0 n HIS 34 N -0.38 -0.90 -1.93 1.39 -0.00 -1.24 -5.14 115.22 107.03 1yx0 n HIS 34 Ca 0.01 0.16 -0.01 0.00 0.46 0.00 0.00 57.72 58.34 1yx0 n HIS 34 Cb 0.03 0.31 -0.01 0.00 -0.12 0.00 0.00 29.99 30.20 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.46 0.00 0.00 176.34 176.80 1yx0 n ALA 35 N -3.12 -2.65 -0.11 1.57 0.00 -1.25 -4.85 120.51 110.10 1yx0 n ALA 35 Ca 0.00 0.62 -0.10 0.00 0.00 0.00 0.00 53.44 53.95 1yx0 n ALA 35 Cb 0.00 -1.45 -0.05 0.00 0.00 0.00 0.00 19.45 17.95 1yx0 n ALA 35 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 1yx0 h LEU 36 N 2.65 -1.43 0.00 0.00 5.85 -1.95 -3.46 115.31 116.96 1yx0 h LEU 36 Ca -0.09 0.21 0.00 0.00 0.84 0.00 0.00 57.88 58.84 1yx0 h LEU 36 Cb 0.20 0.62 0.00 0.00 0.37 0.00 0.00 40.66 41.85 1yx0 h LEU 36 CO 0.00 -0.38 0.00 0.61 -0.34 0.00 0.00 178.44 178.33 1yx0 n GLY 37 N -1.42 0.56 0.00 3.75 0.00 -1.26 -5.09 105.19 101.74 1yx0 n GLY 37 Ca -0.01 -0.61 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1yx0 n LEU 38 N 0.00 0.00 -3.95 0.99 4.32 -1.26 -4.79 117.00 112.31 1yx0 n LEU 38 Ca 0.00 0.08 -0.40 0.00 -0.02 0.00 0.00 56.01 55.67 1yx0 n LEU 38 Cb 0.00 0.00 0.02 0.00 -1.62 0.00 0.00 43.42 41.82 1yx0 n LEU 38 CO 0.00 0.00 -0.15 -0.62 -1.22 0.00 0.00 177.39 175.40 1yx0 n GLU 39 N -0.16 -0.70 0.16 3.23 1.02 -1.26 -4.73 120.64 118.19 1yx0 n GLU 39 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.35 1yx0 n GLU 39 Cb 0.00 -3.18 0.00 0.00 -0.02 0.00 0.00 31.44 28.24 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 1.18 0.00 0.00 177.13 179.48 1yx0 n LYS 40 N -4.73 0.00 -2.00 3.49 4.81 -1.26 -4.95 118.16 113.52 1yx0 n LYS 40 Ca -0.12 0.00 -0.39 0.00 -0.87 0.00 0.00 58.31 56.93 1yx0 n LYS 40 Cb 0.58 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.65 1yx0 n LYS 40 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 1yx0 n LEU 41 N -3.14 7.40 -3.15 3.14 4.32 -1.26 -4.75 117.00 119.55 1yx0 n LEU 41 Ca 0.00 -4.85 0.05 0.00 -0.02 0.00 0.00 56.01 51.19 1yx0 n LEU 41 Cb 0.00 -1.12 -0.01 0.00 -1.62 0.00 0.00 43.42 40.68 1yx0 n LEU 41 CO 0.00 1.82 0.50 -0.60 -1.22 0.00 0.00 177.39 177.89 1yx0 s ARG 42 N -3.75 0.21 0.00 3.23 3.52 -1.26 -5.12 118.95 115.78 1yx0 s ARG 42 Ca 0.51 0.28 0.00 0.00 -0.13 0.00 0.00 55.73 56.39 1yx0 s ARG 42 Cb 0.38 0.14 0.00 0.00 -1.56 0.00 0.00 34.95 33.91 1yx0 s ARG 42 CO -0.33 -0.32 0.00 0.41 -0.81 0.00 0.00 175.30 174.24 1yx0 n GLY 43 N 5.30 0.82 2.25 8.12 0.00 -1.26 -4.81 105.19 115.60 1yx0 n GLY 43 Ca 0.02 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.17 1yx0 n GLY 43 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1yx0 n PRO 44 N -0.11 1.93 0.00 1.61 -0.04 -1.26 -2.76 135.00 134.37 1yx0 n PRO 44 Ca 0.00 -1.10 0.00 0.00 -0.04 0.00 0.00 63.50 62.36 1yx0 n PRO 44 Cb 0.00 -2.12 0.00 0.00 -0.04 0.00 0.00 33.50 31.34 1yx0 n PRO 44 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 1yx0 n GLU 45 N 3.07 0.00 -5.13 0.54 0.28 -1.26 -5.15 120.64 112.99 1yx0 n GLU 45 Ca 0.41 0.00 -0.32 0.00 -0.16 0.00 0.00 57.16 57.09 1yx0 n GLU 45 Cb 0.51 0.00 -0.16 0.00 1.43 0.00 0.00 31.44 33.22 1yx0 n GLU 45 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 177.13 177.39 1yx0 s ILE 46 N 0.00 2.28 -0.04 3.84 -1.09 -1.11 -4.71 121.20 120.37 1yx0 s ILE 46 Ca 0.00 -0.95 0.06 0.00 -2.23 0.00 0.00 60.65 57.53 1yx0 s ILE 46 Cb 0.00 -1.88 -0.02 0.00 -1.58 0.00 0.00 42.46 38.98 1yx0 s ILE 46 CO 0.00 0.56 -0.21 -0.89 -1.23 0.00 0.00 174.94 173.16 1yx0 s THR 47 N 0.18 2.43 -0.12 2.92 2.01 -1.26 -4.99 115.64 116.82 1yx0 s THR 47 Ca -0.13 -0.96 0.03 0.00 0.31 0.00 0.00 61.69 60.95 1yx0 s THR 47 Cb -0.16 -1.90 0.00 0.00 0.01 0.00 0.00 72.50 70.45 1yx0 s THR 47 CO 0.07 0.58 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.99 1yx0 s PHE 48 N -0.57 2.61 0.36 4.92 0.08 -1.26 -3.93 117.98 120.19 1yx0 s PHE 48 Ca 0.08 -1.12 0.07 0.00 0.12 0.00 0.00 56.93 56.09 1yx0 s PHE 48 Cb -0.11 -1.75 -0.01 0.00 -0.57 0.00 0.00 43.02 40.57 1yx0 s PHE 48 CO 0.00 -0.47 0.40 -1.58 -0.10 0.00 0.00 175.22 173.48 1yx0 s TRP 49 N 0.50 2.93 -0.02 0.36 0.51 -1.26 -1.51 118.94 120.45 1yx0 s TRP 49 Ca -0.15 -0.32 -0.03 0.00 -2.12 0.00 0.00 56.10 53.49 1yx0 s TRP 49 Cb -0.17 -2.00 0.00 0.00 -0.81 0.00 0.00 33.47 30.49 1yx0 s TRP 49 CO 0.05 -0.01 0.07 -1.54 -0.51 0.00 0.00 176.95 175.01 1yx0 s SER 50 N -4.12 -0.01 -0.07 2.95 1.04 -0.37 -4.40 113.70 108.72 1yx0 s SER 50 Ca 0.45 -0.01 0.06 0.00 0.48 0.00 0.00 55.95 56.93 1yx0 s SER 50 Cb -0.07 0.16 -0.01 0.00 0.10 0.00 0.00 66.02 66.20 1yx0 s SER 50 CO 0.29 -0.12 -0.25 0.00 0.98 0.00 0.00 173.24 174.14 1yx0 s ALA 51 N -0.42 2.15 -0.02 5.32 0.00 0.37 -2.95 121.76 126.21 1yx0 s ALA 51 Ca -0.05 -1.02 0.06 0.00 0.00 0.00 0.00 51.96 50.95 1yx0 s ALA 51 Cb -0.03 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.37 1yx0 s ALA 51 CO 0.00 0.38 -0.20 -1.58 0.00 0.00 0.00 175.76 174.36 1yx0 s TRP 52 N -0.04 1.85 -0.47 0.00 0.52 -1.26 0.36 118.94 119.89 1yx0 s TRP 52 Ca -0.07 -0.39 0.06 0.00 0.02 0.00 0.00 56.10 55.72 1yx0 s TRP 52 Cb -0.15 -1.20 0.21 0.00 -1.15 0.00 0.00 33.47 31.18 1yx0 s TRP 52 CO 0.05 -0.06 0.67 -0.85 0.02 0.00 0.00 176.95 176.78 1yx0 n GLU 53 N 2.68 0.56 0.00 4.98 0.28 -1.24 -4.35 120.64 123.55 1yx0 n GLU 53 Ca -0.16 -2.32 0.00 0.00 -0.16 0.00 0.00 57.16 54.52 1yx0 n GLU 53 Cb 0.53 -1.47 0.00 0.00 1.43 0.00 0.00 31.44 31.93 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1yx0 n GLY 54 N 2.36 0.46 0.32 -1.84 0.00 -1.26 -4.74 105.19 100.49 1yx0 n GLY 54 Ca 0.18 -1.12 0.05 0.00 0.00 0.00 0.00 46.02 45.13 1yx0 n GLY 54 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1yx0 n ASP 55 N 0.00 1.57 -4.26 1.61 9.92 -1.26 -4.99 116.55 119.14 1yx0 n ASP 55 Ca 0.00 -1.29 -0.14 0.00 -0.53 0.00 0.00 54.79 52.83 1yx0 n ASP 55 Cb 0.00 0.15 -0.10 0.00 -0.64 0.00 0.00 41.12 40.53 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 0.13 0.00 0.00 177.20 175.72 1yx0 s GLU 56 N -0.93 1.09 0.19 -1.24 2.02 -1.26 -5.11 118.70 113.44 1yx0 s GLU 56 Ca 0.10 -1.47 -0.31 0.00 0.02 0.00 0.00 54.97 53.31 1yx0 s GLU 56 Cb 0.08 -0.64 -0.10 0.00 0.10 0.00 0.00 34.13 33.56 1yx0 s GLU 56 CO 0.15 0.07 1.56 -0.48 0.02 0.00 0.00 175.26 176.58 1yx0 s LEU 57 N -3.18 4.37 0.07 1.80 -0.00 -1.26 -3.73 118.68 116.75 1yx0 s LEU 57 Ca 0.18 2.66 -0.10 0.00 -0.00 0.00 0.00 54.13 56.86 1yx0 s LEU 57 Cb 0.03 -3.60 -0.28 0.00 -0.00 0.00 0.00 46.19 42.34 1yx0 s LEU 57 CO 0.01 -0.82 1.12 0.00 -0.00 0.00 0.00 176.35 176.66 1yx0 h ALA 58 N 6.46 0.04 0.00 1.48 0.00 -0.42 -3.47 119.26 123.35 1yx0 h ALA 58 Ca -0.43 -0.83 0.00 0.00 0.00 0.00 0.00 54.91 53.65 1yx0 h ALA 58 Cb 1.21 0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.07 1yx0 h ALA 58 CO 0.89 0.81 0.00 0.41 0.00 0.00 0.00 179.25 181.36 1yx0 n GLY 59 N 1.46 0.69 0.00 0.00 0.00 -0.59 -4.76 105.19 102.00 1yx0 n GLY 59 Ca -0.12 -2.00 0.00 0.00 0.00 0.00 0.00 46.02 43.90 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 n GLY 61 N 0.00 4.45 3.08 0.00 0.00 -1.26 -4.17 105.19 107.29 1yx0 n GLY 61 Ca 0.00 -0.44 -0.07 0.00 0.00 0.00 0.00 46.02 45.50 1yx0 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s ALA 62 N -1.47 0.47 -0.30 4.61 0.00 -0.81 -4.37 121.76 119.88 1yx0 s ALA 62 Ca 0.00 -1.15 -0.08 0.00 0.00 0.00 0.00 51.96 50.73 1yx0 s ALA 62 Cb 0.00 0.26 0.17 0.00 0.00 0.00 0.00 23.12 23.54 1yx0 s ALA 62 CO 0.00 -0.35 0.77 -1.17 0.00 0.00 0.00 175.76 175.01 1yx0 s LEU 63 N -2.77 -1.00 0.01 0.00 0.20 -1.25 -3.26 118.68 110.61 1yx0 s LEU 63 Ca 0.05 0.96 0.08 0.00 0.69 0.00 0.00 54.13 55.90 1yx0 s LEU 63 Cb 0.06 1.97 -0.02 0.00 -0.43 0.00 0.00 46.19 47.77 1yx0 s LEU 63 CO -0.09 -0.19 -0.24 -0.75 -0.29 0.00 0.00 176.35 174.79 1yx0 s LYS 64 N 2.80 1.80 0.30 1.98 2.20 -1.22 -4.17 119.74 123.44 1yx0 s LYS 64 Ca 0.05 -0.95 -0.28 0.00 -0.36 0.00 0.00 55.97 54.43 1yx0 s LYS 64 Cb -0.11 -1.84 -0.09 0.00 -1.51 0.00 0.00 37.83 34.27 1yx0 s LYS 64 CO -0.18 0.49 1.08 -1.83 -0.36 0.00 0.00 175.35 174.55 1yx0 s GLU 65 N -0.87 4.54 0.01 4.03 -1.05 -1.26 -3.42 118.70 120.68 1yx0 s GLU 65 Ca 0.10 1.73 -0.01 0.00 -0.15 0.00 0.00 54.97 56.64 1yx0 s GLU 65 Cb -0.09 -3.05 -0.00 0.00 -0.44 0.00 0.00 34.13 30.54 1yx0 s GLU 65 CO 0.00 0.15 -0.01 -0.11 0.95 0.00 0.00 175.26 176.24 1yx0 n LEU 66 N 0.92 0.25 0.00 1.83 7.94 -1.17 -4.97 117.00 121.80 1yx0 n LEU 66 Ca 0.00 0.04 0.00 0.00 -1.11 0.00 0.00 56.01 54.94 1yx0 n LEU 66 Cb 0.46 -0.17 0.00 0.00 0.53 0.00 0.00 43.42 44.24 1yx0 n LEU 66 CO 0.52 -0.53 0.00 0.47 -1.11 0.00 0.00 177.39 176.74 1yx0 n ASP 67 N -2.74 0.00 -0.02 1.96 10.43 0.14 -5.01 116.55 121.30 1yx0 n ASP 67 Ca -0.01 0.00 -0.16 0.00 2.57 0.00 0.00 54.79 57.19 1yx0 n ASP 67 Cb 0.02 0.00 -0.13 0.00 1.84 0.00 0.00 41.12 42.85 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.71 -1.07 0.00 0.00 177.20 176.84 1yx0 h THR 68 N 0.00 1.68 -0.16 -3.53 1.35 -2.02 -3.38 112.91 106.84 1yx0 h THR 68 Ca 0.00 -2.38 -0.16 0.00 -0.55 0.00 0.00 66.41 63.32 1yx0 h THR 68 Cb 0.00 3.27 -0.22 0.00 -1.73 0.00 0.00 68.15 69.47 1yx0 h THR 68 CO 0.00 0.64 -0.77 -2.11 -0.25 0.00 0.00 175.52 173.03 1yx0 n ARG 69 N -4.43 1.46 -3.70 4.72 1.85 -1.26 -4.97 116.66 110.32 1yx0 n ARG 69 Ca -0.11 -3.08 -0.13 0.00 -1.00 0.00 0.00 57.85 53.53 1yx0 n ARG 69 Cb 0.60 -1.25 -0.13 0.00 -1.05 0.00 0.00 32.46 30.64 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -0.01 0.00 0.00 177.63 176.04 1yx0 s HIS 70 N -2.40 -0.39 0.00 2.89 2.46 -1.26 0.18 115.29 116.77 1yx0 s HIS 70 Ca 0.38 0.90 0.00 0.00 0.47 0.00 0.00 55.06 56.81 1yx0 s HIS 70 Cb 0.38 0.04 0.00 0.00 -0.13 0.00 0.00 32.58 32.87 1yx0 s HIS 70 CO -0.08 -0.29 0.00 0.41 -2.47 0.00 0.00 174.74 172.31 1yx0 n GLY 71 N 4.64 4.61 3.21 1.59 0.00 -1.26 0.23 105.19 118.21 1yx0 n GLY 71 Ca -0.18 -1.80 -0.12 0.00 0.00 0.00 0.00 46.02 43.92 1yx0 n GLY 71 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1yx0 s GLU 72 N -1.24 0.68 0.06 1.61 -1.05 -1.22 -3.88 118.70 113.67 1yx0 s GLU 72 Ca 0.00 -0.41 0.08 0.00 -0.15 0.00 0.00 54.97 54.49 1yx0 s GLU 72 Cb 0.00 0.29 -0.03 0.00 -0.44 0.00 0.00 34.13 33.95 1yx0 s GLU 72 CO 0.00 -0.20 -0.21 0.42 0.95 0.00 0.00 175.26 176.22 1yx0 s ILE 73 N -1.95 2.57 -0.09 1.83 1.09 -1.16 -3.42 121.20 120.07 1yx0 s ILE 73 Ca -0.10 -1.35 -0.24 0.00 -1.10 0.00 0.00 60.65 57.86 1yx0 s ILE 73 Cb -0.03 -2.09 0.06 0.00 -1.06 0.00 0.00 42.46 39.34 1yx0 s ILE 73 CO -0.00 0.28 0.58 -1.59 -0.10 0.00 0.00 174.94 174.11 1yx0 s LYS 74 N -1.56 0.87 0.00 2.79 0.00 -1.20 -4.29 119.74 116.34 1yx0 s LYS 74 Ca 0.14 0.33 0.00 0.00 0.00 0.00 0.00 55.97 56.44 1yx0 s LYS 74 Cb -0.10 0.41 0.00 0.00 0.00 0.00 0.00 37.83 38.14 1yx0 s LYS 74 CO 0.05 -0.23 0.00 0.45 0.00 0.00 0.00 175.35 175.63 1yx0 n SER 75 N 1.53 -1.72 -3.20 0.03 2.88 -1.26 -1.93 113.62 109.95 1yx0 n SER 75 Ca -0.18 0.00 0.04 0.00 -1.33 0.00 0.00 58.87 57.39 1yx0 n SER 75 Cb 0.56 -0.86 -0.01 0.00 -0.75 0.00 0.00 64.21 63.15 1yx0 n SER 75 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1yx0 s MET 76 N -2.76 0.56 -0.08 -1.46 1.75 -1.26 -3.67 119.30 112.38 1yx0 s MET 76 Ca 0.00 1.04 0.04 0.00 -1.25 0.00 0.00 55.69 55.52 1yx0 s MET 76 Cb 0.00 0.58 -0.01 0.00 2.84 0.00 0.00 34.83 38.24 1yx0 s MET 76 CO 0.00 -0.57 -0.19 0.50 -0.65 0.00 0.00 175.02 174.11 1yx0 s ARG 77 N 2.86 2.80 0.00 4.11 3.00 -1.26 -5.10 118.95 125.37 1yx0 s ARG 77 Ca 0.18 -0.80 0.00 0.00 -1.00 0.00 0.00 55.73 54.11 1yx0 s ARG 77 Cb -0.15 -2.34 0.00 0.00 0.00 0.00 0.00 34.95 32.46 1yx0 s ARG 77 CO -0.21 0.37 0.00 2.41 0.00 0.00 0.00 175.30 177.88 1yx0 n THR 78 N 3.01 0.00 0.00 4.11 -1.04 -1.26 -4.65 114.28 114.44 1yx0 n THR 78 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.83 1yx0 n THR 78 Cb 0.52 -0.55 0.00 0.00 -1.82 0.00 0.00 70.33 68.48 1yx0 n THR 78 CO 0.00 0.00 0.00 -1.20 -0.64 0.00 0.00 175.07 173.23 1yx0 n SER 79 N 0.00 0.00 -4.53 8.00 7.64 -1.26 -4.55 113.62 118.92 1yx0 n SER 79 Ca 0.00 0.00 -0.42 0.00 1.01 0.00 0.00 58.87 59.46 1yx0 n SER 79 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ALA 80 N 0.00 -1.22 -0.04 -0.43 0.00 -1.26 -2.43 120.51 115.13 1yx0 n ALA 80 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 53.44 53.24 1yx0 n ALA 80 Cb 0.00 -2.55 0.00 0.00 0.00 0.00 0.00 19.45 16.90 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx0 n SER 81 N -2.48 0.00 -4.18 0.00 7.64 -1.26 -4.65 113.62 108.69 1yx0 n SER 81 Ca 0.11 0.00 -0.27 0.00 1.01 0.00 0.00 58.87 59.72 1yx0 n SER 81 Cb 0.46 0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.50 1yx0 n SER 81 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 1yx0 s HIS 82 N 0.00 1.81 0.07 1.43 2.46 -1.02 -4.91 115.29 115.13 1yx0 s HIS 82 Ca 0.00 -0.44 -0.04 0.00 0.47 0.00 0.00 55.06 55.05 1yx0 s HIS 82 Cb 0.00 -1.19 -0.03 0.00 -0.13 0.00 0.00 32.58 31.24 1yx0 s HIS 82 CO 0.00 -0.11 0.05 -1.17 -2.47 0.00 0.00 174.74 171.05 1yx0 s LEU 83 N -0.22 2.08 0.40 8.88 0.20 -1.25 -4.94 118.68 123.82 1yx0 s LEU 83 Ca 0.02 -0.88 -0.03 0.00 0.69 0.00 0.00 54.13 53.93 1yx0 s LEU 83 Cb -0.10 0.51 -0.04 0.00 -0.43 0.00 0.00 46.19 46.14 1yx0 s LEU 83 CO 0.01 -0.65 0.66 -0.13 -0.29 0.00 0.00 176.35 175.95 1yx0 s ARG 84 N -3.90 3.54 0.00 1.98 3.00 -1.26 -4.43 118.95 117.88 1yx0 s ARG 84 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 55.73 55.77 1yx0 s ARG 84 Cb 0.07 -2.53 0.00 0.00 0.00 0.00 0.00 34.95 32.49 1yx0 s ARG 84 CO -0.10 0.00 0.00 1.17 0.00 0.00 0.00 175.30 176.37 1yx0 n LYS 85 N -1.84 0.00 0.00 3.54 4.81 -1.26 -4.55 118.16 118.86 1yx0 n LYS 85 Ca -0.02 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.42 1yx0 n LYS 85 Cb 0.55 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.60 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yx0 n GLY 86 N 0.00 2.47 0.16 3.14 0.00 -1.26 -4.97 105.19 104.73 1yx0 n GLY 86 Ca 0.00 -0.53 -0.06 0.00 0.00 0.00 0.00 46.02 45.43 1yx0 n GLY 86 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1yx0 h VAL 87 N 0.00 0.15 -0.86 1.61 2.07 -1.89 -2.91 116.25 114.42 1yx0 h VAL 87 Ca 0.00 -0.84 0.24 0.00 0.82 0.00 0.00 66.70 66.92 1yx0 h VAL 87 Cb 0.00 0.26 -0.04 0.00 -1.52 0.00 0.00 31.29 29.98 1yx0 h VAL 87 CO 0.00 0.04 0.60 0.00 0.02 0.00 0.00 177.57 178.24 1yx0 h ALA 88 N -0.97 2.66 -0.28 1.67 0.00 -1.83 1.08 119.26 121.60 1yx0 h ALA 88 Ca -0.03 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.79 1yx0 h ALA 88 Cb 0.31 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.13 1yx0 h ALA 88 CO 0.05 -0.92 -0.14 0.87 0.00 0.00 0.00 179.25 179.12 1yx0 h LYS 89 N 0.09 0.47 -0.05 0.00 1.57 -1.93 -0.19 116.57 116.53 1yx0 h LYS 89 Ca 0.42 -0.14 -0.04 0.00 -1.87 0.00 0.00 60.65 59.02 1yx0 h LYS 89 Cb 1.51 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 33.77 1yx0 h LYS 89 CO -0.05 0.61 -0.12 1.96 -0.57 0.00 0.00 179.45 181.28 1yx0 h GLN 90 N 0.44 0.17 -0.22 3.15 1.08 0.14 -1.72 115.11 118.15 1yx0 h GLN 90 Ca 0.08 -0.12 0.03 0.00 -1.45 0.00 0.00 58.65 57.20 1yx0 h GLN 90 Cb 0.50 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.92 1yx0 h GLN 90 CO 0.03 0.71 0.03 0.28 -0.95 0.00 0.00 178.83 178.93 1yx0 h VAL 91 N -0.34 0.88 -0.22 -0.54 2.07 -1.08 0.41 116.25 117.42 1yx0 h VAL 91 Ca 0.00 -0.04 0.04 0.00 0.82 0.00 0.00 66.70 67.53 1yx0 h VAL 91 Cb 0.71 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.20 1yx0 h VAL 91 CO 0.03 0.02 -0.06 0.25 0.02 0.00 0.00 177.57 177.83 1yx0 h LEU 92 N 0.10 -0.21 -1.20 2.57 7.12 -1.07 1.46 115.31 124.08 1yx0 h LEU 92 Ca 0.10 0.07 0.02 0.00 0.13 0.00 0.00 57.88 58.20 1yx0 h LEU 92 Cb 0.11 0.14 -0.04 0.00 -0.53 0.00 0.00 40.66 40.34 1yx0 h LEU 92 CO -0.15 -0.08 0.55 -0.61 -0.13 0.00 0.00 178.44 178.02 1yx0 h GLN 93 N -0.00 1.04 -0.03 1.25 4.15 -0.67 -0.67 115.11 120.17 1yx0 h GLN 93 Ca 0.11 -0.06 -0.17 0.00 0.77 0.00 0.00 58.65 59.30 1yx0 h GLN 93 Cb 0.17 -0.23 -0.01 0.00 0.21 0.00 0.00 27.48 27.61 1yx0 h GLN 93 CO -0.23 0.69 -0.74 1.25 -1.93 0.00 0.00 178.83 177.87 1yx0 h HIS 94 N 1.07 0.28 -0.52 3.99 2.76 0.12 -1.28 115.15 121.57 1yx0 h HIS 94 Ca 0.32 -0.13 -0.01 0.00 -2.20 0.00 0.00 60.37 58.34 1yx0 h HIS 94 Cb -0.04 -0.04 -0.02 0.00 1.55 0.00 0.00 27.41 28.86 1yx0 h HIS 94 CO -0.00 0.87 0.27 0.82 -1.30 0.00 0.00 177.93 178.58 1yx0 h ILE 95 N 0.13 1.18 -0.32 6.26 5.03 0.33 -0.21 117.51 129.91 1yx0 h ILE 95 Ca -0.02 -0.49 -0.16 0.00 -0.12 0.00 0.00 64.86 64.06 1yx0 h ILE 95 Cb 1.30 0.57 -0.00 0.00 -3.03 0.00 0.00 36.82 35.65 1yx0 h ILE 95 CO 0.11 0.20 -0.42 0.40 -0.68 0.00 0.00 178.15 177.76 1yx0 h ILE 96 N 0.69 1.28 -0.68 -0.67 2.04 -1.12 -2.93 117.51 116.12 1yx0 h ILE 96 Ca 0.18 -1.60 0.09 0.00 1.00 0.00 0.00 64.86 64.53 1yx0 h ILE 96 Cb 0.08 1.53 -0.07 0.00 -0.74 0.00 0.00 36.82 37.62 1yx0 h ILE 96 CO -0.03 0.53 0.33 -0.33 0.00 0.00 0.00 178.15 178.65 1yx0 h GLU 97 N 0.64 0.55 -0.06 2.37 3.07 -0.83 0.73 114.58 121.06 1yx0 h GLU 97 Ca 0.04 -0.03 0.02 0.00 -0.50 0.00 0.00 59.36 58.89 1yx0 h GLU 97 Cb 1.02 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.78 1yx0 h GLU 97 CO 0.10 0.36 -0.06 1.49 -1.40 0.00 0.00 179.01 179.51 1yx0 h GLU 98 N 0.57 -0.07 -0.10 2.33 4.22 -0.95 0.32 114.58 120.90 1yx0 h GLU 98 Ca 0.33 0.00 -0.07 0.00 0.08 0.00 0.00 59.36 59.71 1yx0 h GLU 98 Cb 0.34 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1yx0 h GLU 98 CO -0.26 -0.04 -0.24 0.00 -2.18 0.00 0.00 179.01 176.28 1yx0 h ALA 99 N 0.98 1.42 -0.20 2.92 0.00 -1.16 -1.91 119.26 121.31 1yx0 h ALA 99 Ca 0.04 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.63 1yx0 h ALA 99 Cb 0.13 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1yx0 h ALA 99 CO -0.10 0.41 -0.13 0.93 0.00 0.00 0.00 179.25 180.36 1yx0 h GLU 100 N 0.15 0.33 0.19 0.00 5.08 0.16 1.29 114.58 121.78 1yx0 h GLU 100 Ca 0.03 -0.08 -0.01 0.00 -1.00 0.00 0.00 59.36 58.29 1yx0 h GLU 100 Cb 0.52 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.73 1yx0 h GLU 100 CO 0.04 0.46 -0.09 0.87 -1.00 0.00 0.00 179.01 179.28 1yx0 h LYS 101 N 0.31 -0.25 -0.38 2.33 1.57 -0.17 -3.23 116.57 116.75 1yx0 h LYS 101 Ca 0.06 0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.73 1yx0 h LYS 101 Cb 0.42 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1yx0 h LYS 101 CO 0.02 0.10 -0.26 -0.09 -0.57 0.00 0.00 179.45 178.65 1yx0 h ARG 102 N -0.64 0.85 -1.24 3.15 1.12 -1.29 -3.48 114.38 112.85 1yx0 h ARG 102 Ca -0.03 -0.41 0.00 0.00 -1.11 0.00 0.00 59.98 58.44 1yx0 h ARG 102 Cb 0.46 -0.01 0.00 0.00 -0.01 0.00 0.00 29.97 30.42 1yx0 h ARG 102 CO 0.04 1.05 0.00 0.41 -3.11 0.00 0.00 179.97 178.36 1yx0 n GLY 103 N 0.03 0.38 3.88 2.80 0.00 0.44 -5.09 105.19 107.64 1yx0 n GLY 103 Ca -0.02 -0.52 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1yx0 n GLY 103 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1yx0 s TYR 104 N -2.41 3.47 0.14 1.61 2.02 -0.95 -4.84 117.35 116.38 1yx0 s TYR 104 Ca 0.00 0.93 -0.15 0.00 -0.37 0.00 0.00 57.07 57.48 1yx0 s TYR 104 Cb 0.00 -2.34 0.00 0.00 -0.40 0.00 0.00 41.96 39.22 1yx0 s TYR 104 CO 0.00 -0.02 1.66 1.49 -1.57 0.00 0.00 175.55 177.11 1yx0 h GLU 105 N 1.39 0.65 -2.86 -0.62 4.81 0.17 -3.40 114.58 114.72 1yx0 h GLU 105 Ca -0.47 -0.14 0.01 0.00 -0.13 0.00 0.00 59.36 58.63 1yx0 h GLU 105 Cb 1.19 -0.10 -0.12 0.00 0.63 0.00 0.00 28.75 30.35 1yx0 h GLU 105 CO 0.64 0.63 0.27 1.03 -0.73 0.00 0.00 179.01 180.86 1yx0 s ARG 106 N -5.43 1.20 -0.23 1.92 3.00 -1.26 -2.72 118.95 115.43 1yx0 s ARG 106 Ca -0.13 -0.45 -0.06 0.00 0.00 0.00 0.00 55.73 55.09 1yx0 s ARG 106 Cb 0.10 0.55 -0.02 0.00 0.00 0.00 0.00 34.95 35.58 1yx0 s ARG 106 CO 0.76 -0.53 0.02 -0.51 0.00 0.00 0.00 175.30 175.05 1yx0 s LEU 107 N -2.70 3.26 0.39 2.53 1.43 -0.91 -4.28 118.68 118.39 1yx0 s LEU 107 Ca 0.02 -0.24 0.08 0.00 -1.03 0.00 0.00 54.13 52.95 1yx0 s LEU 107 Cb -0.01 -1.85 -0.00 0.00 0.03 0.00 0.00 46.19 44.36 1yx0 s LEU 107 CO -0.12 0.00 0.51 -0.94 0.23 0.00 0.00 176.35 176.03 1yx0 s SER 108 N 1.38 5.66 0.35 2.29 1.04 -1.25 -1.20 113.70 121.97 1yx0 s SER 108 Ca 0.05 -0.40 -0.17 0.00 0.48 0.00 0.00 55.95 55.91 1yx0 s SER 108 Cb -0.15 -0.82 0.06 0.00 0.10 0.00 0.00 66.02 65.21 1yx0 s SER 108 CO 0.01 -0.64 0.82 -1.48 0.98 0.00 0.00 173.24 172.93 1yx0 s LEU 109 N -4.26 -0.01 -0.33 2.42 0.05 -1.26 -2.97 118.68 112.31 1yx0 s LEU 109 Ca 0.51 -1.06 -0.10 0.00 0.05 0.00 0.00 54.13 53.53 1yx0 s LEU 109 Cb -0.09 2.74 0.01 0.00 -2.05 0.00 0.00 46.19 46.80 1yx0 s LEU 109 CO 0.32 -1.58 0.17 -1.61 -0.55 0.00 0.00 176.35 173.09 1yx0 s GLU 110 N -2.37 3.15 -0.23 1.48 2.02 -1.26 -4.03 118.70 117.46 1yx0 s GLU 110 Ca 0.16 -0.85 -0.14 0.00 0.02 0.00 0.00 54.97 54.16 1yx0 s GLU 110 Cb -0.05 -3.61 0.07 0.00 0.10 0.00 0.00 34.13 30.64 1yx0 s GLU 110 CO 0.10 -0.51 0.57 0.99 0.02 0.00 0.00 175.26 176.44 1yx0 s THR 111 N 1.59 -0.01 -0.33 3.63 2.01 -1.26 -5.00 115.64 116.26 1yx0 s THR 111 Ca 0.04 0.03 0.15 0.00 0.31 0.00 0.00 61.69 62.22 1yx0 s THR 111 Cb -0.18 -0.83 0.44 0.00 0.01 0.00 0.00 72.50 71.94 1yx0 s THR 111 CO 0.06 0.01 1.26 0.61 -0.69 0.00 0.00 174.62 175.87 1yx0 n GLY 112 N 4.06 1.67 3.81 4.40 0.00 -1.22 -4.18 105.19 113.72 1yx0 n GLY 112 Ca -0.20 -0.62 -0.24 0.00 0.00 0.00 0.00 46.02 44.96 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1yx0 n SER 113 N -0.73 -1.23 -4.80 1.61 3.41 -1.26 -4.05 113.62 106.57 1yx0 n SER 113 Ca -0.02 -0.93 -0.36 0.00 -0.26 0.00 0.00 58.87 57.30 1yx0 n SER 113 Cb 0.84 -3.54 -0.07 0.00 -0.26 0.00 0.00 64.21 61.18 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yx0 s MET 114 N -6.22 3.67 0.55 4.33 1.00 -1.26 -4.94 119.30 116.41 1yx0 s MET 114 Ca 0.05 -0.19 0.28 0.00 0.00 0.00 0.00 55.69 55.83 1yx0 s MET 114 Cb -0.02 -3.23 1.45 0.00 0.00 0.00 0.00 34.83 33.03 1yx0 s MET 114 CO 0.85 0.59 1.96 0.00 0.00 0.00 0.00 175.02 178.43 1yx0 h ALA 115 N 5.62 2.49 -0.04 3.03 0.00 -1.97 1.00 119.26 129.39 1yx0 h ALA 115 Ca -0.49 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.26 1yx0 h ALA 115 Cb 1.20 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 19.02 1yx0 h ALA 115 CO 0.64 -0.75 -0.62 1.03 0.00 0.00 0.00 179.25 179.55 1yx0 h SER 116 N 0.00 0.16 -0.75 0.00 0.87 -2.01 -3.24 113.55 108.58 1yx0 h SER 116 Ca 0.28 -0.09 -0.49 0.00 -1.23 0.00 0.00 61.79 60.25 1yx0 h SER 116 Cb 1.17 -0.05 -0.42 0.00 -0.44 0.00 0.00 62.40 62.66 1yx0 h SER 116 CO -0.00 0.74 -0.88 0.49 -0.53 0.00 0.00 176.83 176.64 1yx0 n PHE 117 N -3.84 2.48 0.00 2.24 3.01 0.26 -4.81 117.46 116.82 1yx0 n PHE 117 Ca -0.02 -2.29 -0.13 0.00 1.01 0.00 0.00 57.45 56.03 1yx0 n PHE 117 Cb 0.62 -0.30 -0.10 0.00 -0.01 0.00 0.00 39.48 39.69 1yx0 n PHE 117 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1yx0 h GLU 118 N 2.31 -0.06 0.00 -1.08 4.81 0.59 -3.08 114.58 118.07 1yx0 h GLU 118 Ca 0.26 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.49 1yx0 h GLU 118 Cb 1.43 0.01 0.00 0.00 0.63 0.00 0.00 28.75 30.83 1yx0 h GLU 118 CO 0.65 0.44 0.00 -1.00 -0.73 0.00 0.00 179.01 178.37 1yx0 h PRO 119 N -0.60 0.00 0.11 0.92 0.13 -1.85 -3.17 132.00 127.54 1yx0 h PRO 119 Ca -0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.12 1yx0 h PRO 119 Cb 0.53 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.66 1yx0 h PRO 119 CO 0.01 0.00 -0.05 0.00 -0.23 0.00 0.00 178.00 177.73 1yx0 h ALA 120 N 2.00 -0.15 -0.31 -0.56 0.00 -1.88 0.75 119.26 119.12 1yx0 h ALA 120 Ca 0.00 -0.05 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 1yx0 h ALA 120 Cb 0.75 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.58 1yx0 h ALA 120 CO 0.00 -0.57 0.04 0.07 0.00 0.00 0.00 179.25 178.79 1yx0 h ARG 121 N -0.19 0.46 -0.18 0.00 0.11 -1.53 0.77 114.38 113.82 1yx0 h ARG 121 Ca -0.02 -0.08 -0.17 0.00 0.10 0.00 0.00 59.98 59.81 1yx0 h ARG 121 Cb 0.15 -0.08 -0.00 0.00 1.11 0.00 0.00 29.97 31.15 1yx0 h ARG 121 CO 0.03 0.46 -0.60 0.87 0.10 0.00 0.00 179.97 180.83 1yx0 h LYS 122 N 0.45 0.59 -0.01 0.08 1.57 -1.39 0.33 116.57 118.20 1yx0 h LYS 122 Ca 0.10 -0.40 -0.22 0.00 -1.87 0.00 0.00 60.65 58.27 1yx0 h LYS 122 Cb 0.24 0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1yx0 h LYS 122 CO 0.00 1.02 -0.90 1.25 -0.57 0.00 0.00 179.45 180.25 1yx0 h LEU 123 N 0.44 0.51 0.13 2.94 5.85 0.13 -2.20 115.31 123.11 1yx0 h LEU 123 Ca -0.00 -0.39 -0.01 0.00 0.84 0.00 0.00 57.88 58.32 1yx0 h LEU 123 Cb 1.17 -0.15 0.00 0.00 0.37 0.00 0.00 40.66 42.04 1yx0 h LEU 123 CO 0.11 1.19 -0.06 1.88 -0.34 0.00 0.00 178.44 181.22 1yx0 h TYR 124 N 0.23 -0.16 -0.06 1.25 0.05 0.63 -2.83 116.97 116.08 1yx0 h TYR 124 Ca -0.07 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.70 1yx0 h TYR 124 Cb 1.53 0.05 -0.00 0.00 1.01 0.00 0.00 36.73 39.31 1yx0 h TYR 124 CO 0.06 0.21 -0.02 1.05 -1.05 0.00 0.00 178.16 178.41 1yx0 h GLU 125 N -0.55 0.08 0.00 4.88 -0.00 -1.01 0.17 114.58 118.16 1yx0 h GLU 125 Ca -0.02 -0.01 0.00 0.00 -0.00 0.00 0.00 59.36 59.33 1yx0 h GLU 125 Cb 0.44 -0.02 0.00 0.00 -0.00 0.00 0.00 28.75 29.17 1yx0 h GLU 125 CO 0.03 0.11 0.00 0.45 -0.00 0.00 0.00 179.01 179.60 1yx0 n SER 126 N -4.46 0.40 0.02 3.06 2.88 -0.83 -1.75 113.62 112.93 1yx0 n SER 126 Ca -0.02 0.59 0.11 0.00 -1.33 0.00 0.00 58.87 58.22 1yx0 n SER 126 Cb 0.14 -0.68 -0.01 0.00 -0.75 0.00 0.00 64.21 62.91 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1yx0 n PHE 127 N -1.93 0.20 0.00 0.66 -0.00 0.59 -4.96 117.46 112.03 1yx0 n PHE 127 Ca 0.03 0.06 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 1yx0 n PHE 127 Cb 0.22 -0.38 0.00 0.00 -0.00 0.00 0.00 39.48 39.32 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx0 n GLY 128 N 1.38 2.85 3.41 7.13 0.00 -0.72 -5.11 105.19 114.13 1yx0 n GLY 128 Ca 0.02 -0.45 -0.49 0.00 0.00 0.00 0.00 46.02 45.10 1yx0 n GLY 128 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1yx0 n PHE 129 N 0.00 -0.40 -4.26 1.61 3.72 -1.10 -4.90 117.46 112.13 1yx0 n PHE 129 Ca 0.00 0.97 -0.20 0.00 -0.05 0.00 0.00 57.45 58.17 1yx0 n PHE 129 Cb 0.00 -1.97 -0.12 0.00 -0.94 0.00 0.00 39.48 36.44 1yx0 n PHE 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1yx0 s GLN 130 N -0.95 0.94 0.50 -1.08 -2.07 -0.70 -4.13 119.66 112.17 1yx0 s GLN 130 Ca 0.65 -0.96 -0.24 0.00 -1.82 0.00 0.00 55.36 53.00 1yx0 s GLN 130 Cb -0.95 -1.01 -0.07 0.00 -1.09 0.00 0.00 33.01 29.90 1yx0 s GLN 130 CO 0.56 0.24 1.40 0.71 -1.32 0.00 0.00 175.29 176.88 1yx0 s TYR 131 N -1.13 2.36 0.00 9.60 4.12 -1.26 0.39 117.35 131.43 1yx0 s TYR 131 Ca 0.01 1.31 -0.17 0.00 0.02 0.00 0.00 57.07 58.24 1yx0 s TYR 131 Cb -0.09 -3.88 0.06 0.00 -1.52 0.00 0.00 41.96 36.52 1yx0 s TYR 131 CO 0.02 -2.97 0.76 0.00 0.02 0.00 0.00 175.55 173.39 1yx0 n GLU 133 N -0.55 0.00 -1.53 0.00 0.28 -1.26 -4.06 120.64 113.52 1yx0 n GLU 133 Ca 0.02 0.00 -0.30 0.00 -0.16 0.00 0.00 57.16 56.73 1yx0 n GLU 133 Cb 0.35 -0.96 0.19 0.00 1.43 0.00 0.00 31.44 32.45 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 -0.16 0.00 0.00 177.13 175.72 1yx0 s PRO 134 N -1.79 0.15 0.00 3.44 0.04 -1.26 -4.44 135.00 131.14 1yx0 s PRO 134 Ca 0.41 -0.09 0.00 0.00 0.04 0.00 0.00 61.00 61.36 1yx0 s PRO 134 Cb -0.21 -1.76 0.00 0.00 0.04 0.00 0.00 34.50 32.57 1yx0 s PRO 134 CO 0.78 -2.79 0.00 1.19 0.04 0.00 0.00 177.00 176.21 1yx0 n PHE 135 N -4.11 -0.43 -0.37 0.56 0.99 -1.26 -5.05 117.46 107.80 1yx0 n PHE 135 Ca 0.12 0.00 -0.14 0.00 -0.00 0.00 0.00 57.45 57.43 1yx0 n PHE 135 Cb 0.59 0.09 0.13 0.00 -1.00 0.00 0.00 39.48 39.30 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.76 176.76 1yx0 n ALA 136 N -1.68 -2.37 -0.52 4.37 0.00 -1.26 -4.79 120.51 114.27 1yx0 n ALA 136 Ca 0.00 -0.69 -0.16 0.00 0.00 0.00 0.00 53.44 52.59 1yx0 n ALA 136 Cb 0.00 -0.06 0.08 0.00 0.00 0.00 0.00 19.45 19.47 1yx0 n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1yx0 n ASP 137 N -1.84 4.59 -0.67 0.00 10.43 -1.26 -3.90 116.55 123.89 1yx0 n ASP 137 Ca 0.06 -3.01 0.06 0.00 2.57 0.00 0.00 54.79 54.47 1yx0 n ASP 137 Cb 0.27 -0.82 0.18 0.00 1.84 0.00 0.00 41.12 42.59 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -1.07 0.00 0.00 177.20 174.91 1yx0 n TYR 138 N -0.24 0.59 0.00 1.24 4.01 -1.26 -5.08 117.16 116.42 1yx0 n TYR 138 Ca 0.35 -0.65 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 1yx0 n TYR 138 Cb 0.97 -0.13 0.00 0.00 -0.31 0.00 0.00 39.34 39.86 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1yx0 n GLY 139 N 0.02 0.53 3.87 2.72 0.00 -1.25 -4.60 105.19 106.48 1yx0 n GLY 139 Ca 0.14 -0.73 -0.31 0.00 0.00 0.00 0.00 46.02 45.13 1yx0 n GLY 139 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yx0 s GLU 140 N 0.00 3.62 0.00 1.61 2.02 -1.26 -4.87 118.70 119.81 1yx0 s GLU 140 Ca 0.00 0.76 0.00 0.00 0.02 0.00 0.00 54.97 55.75 1yx0 s GLU 140 Cb 0.00 -2.09 0.00 0.00 0.10 0.00 0.00 34.13 32.14 1yx0 s GLU 140 CO 0.00 -0.55 0.00 -0.40 0.02 0.00 0.00 175.26 174.33 1yx0 n ASP 141 N -2.69 0.00 0.08 -0.19 5.68 -1.26 -5.01 116.55 113.17 1yx0 n ASP 141 Ca 0.06 0.00 0.12 0.00 -0.50 0.00 0.00 54.79 54.47 1yx0 n ASP 141 Cb 0.54 0.00 0.46 0.00 -1.14 0.00 0.00 41.12 40.98 1yx0 n ASP 141 CO 0.00 0.00 0.00 -0.81 -1.33 0.00 0.00 177.20 175.06 1yx0 n PRO 142 N -0.11 0.16 -2.65 0.11 -0.04 -1.26 -3.41 135.00 127.80 1yx0 n PRO 142 Ca 0.00 0.26 -0.31 0.00 -0.04 0.00 0.00 63.50 63.40 1yx0 n PRO 142 Cb 0.00 -1.74 -0.01 0.00 -0.04 0.00 0.00 33.50 31.71 1yx0 n PRO 142 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1yx0 n ASN 143 N -2.02 5.50 -3.57 3.54 3.02 -1.26 -4.98 115.26 115.49 1yx0 n ASN 143 Ca 0.04 -3.71 -0.12 0.00 -0.03 0.00 0.00 54.58 50.76 1yx0 n ASN 143 Cb 0.31 -0.72 -0.05 0.00 -0.61 0.00 0.00 39.78 38.70 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1yx0 s SER 144 N -2.77 -0.43 0.35 6.41 0.01 -1.22 -4.89 113.70 111.16 1yx0 s SER 144 Ca 0.47 0.50 0.08 0.00 1.31 0.00 0.00 55.95 58.32 1yx0 s SER 144 Cb 0.31 0.40 -0.05 0.00 0.21 0.00 0.00 66.02 66.89 1yx0 s SER 144 CO -0.18 -0.37 0.08 0.68 0.41 0.00 0.00 173.24 173.85 1yx0 s VAL 145 N -1.00 2.69 -0.27 3.43 -7.23 -1.26 -4.90 120.40 111.87 1yx0 s VAL 145 Ca -0.03 -1.85 -0.22 0.00 -1.81 0.00 0.00 61.98 58.07 1yx0 s VAL 145 Cb -0.01 -2.89 0.07 0.00 0.56 0.00 0.00 36.38 34.12 1yx0 s VAL 145 CO 0.02 -0.16 0.70 -0.36 -0.31 0.00 0.00 175.10 174.99 1yx0 s PHE 146 N -2.51 -0.84 0.01 2.82 0.40 -1.26 -3.42 117.98 113.18 1yx0 s PHE 146 Ca 0.37 1.95 -0.01 0.00 -0.60 0.00 0.00 56.93 58.64 1yx0 s PHE 146 Cb -0.00 0.35 -0.01 0.00 0.51 0.00 0.00 43.02 43.87 1yx0 s PHE 146 CO 0.21 -0.41 -0.01 0.00 0.70 0.00 0.00 175.22 175.71 1yx0 s MET 147 N 0.68 0.20 0.19 0.44 0.23 -1.26 0.15 119.30 119.94 1yx0 s MET 147 Ca -0.02 -0.35 0.11 0.00 -1.03 0.00 0.00 55.69 54.39 1yx0 s MET 147 Cb -0.05 0.07 -0.04 0.00 -1.53 0.00 0.00 34.83 33.28 1yx0 s MET 147 CO -0.04 -0.03 -0.22 -0.08 -2.03 0.00 0.00 175.02 172.61 1yx0 s THR 148 N -0.88 2.21 -0.07 3.16 -1.32 0.16 -4.57 115.64 114.33 1yx0 s THR 148 Ca -0.10 -2.01 -0.04 0.00 -1.21 0.00 0.00 61.69 58.33 1yx0 s THR 148 Cb -0.06 -2.05 -0.04 0.00 -1.51 0.00 0.00 72.50 68.84 1yx0 s THR 148 CO -0.00 -0.18 0.13 -0.75 -2.21 0.00 0.00 174.62 171.61 1yx0 s LYS 149 N -2.73 3.34 -0.32 7.08 2.47 -0.35 -1.72 119.74 127.51 1yx0 s LYS 149 Ca 0.20 -0.26 -0.12 0.00 -1.56 0.00 0.00 55.97 54.22 1yx0 s LYS 149 Cb -0.07 -3.08 -0.02 0.00 -1.46 0.00 0.00 37.83 33.19 1yx0 s LYS 149 CO 0.09 0.72 0.22 0.21 0.16 0.00 0.00 175.35 176.76 1yx0 s LYS 150 N -1.37 3.60 0.00 4.03 2.20 -1.26 -2.15 119.74 124.78 1yx0 s LYS 150 Ca 0.19 -0.57 0.08 0.00 -0.36 0.00 0.00 55.97 55.31 1yx0 s LYS 150 Cb -0.12 -3.75 0.06 0.00 -1.51 0.00 0.00 37.83 32.51 1yx0 s LYS 150 CO 0.09 -0.38 0.74 1.28 -0.36 0.00 0.00 175.35 176.73