#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 -1.21 -0.04 2.03 0.09 -1.25 -5.07 115.29 109.84 1yx0 s HIS 2 Ca 0.00 1.15 0.07 0.00 -0.00 0.00 0.00 55.06 56.28 1yx0 s HIS 2 Cb 0.00 0.38 -0.01 0.00 -0.00 0.00 0.00 32.58 32.94 1yx0 s HIS 2 CO 0.00 -0.67 -0.25 0.42 -0.00 0.00 0.00 174.74 174.24 1yx0 s ILE 3 N 2.89 2.02 0.27 0.60 -1.09 -1.26 -1.25 121.20 123.39 1yx0 s ILE 3 Ca 0.13 -1.07 0.02 0.00 -2.23 0.00 0.00 60.65 57.49 1yx0 s ILE 3 Cb -0.12 -1.69 -0.03 0.00 -1.58 0.00 0.00 42.46 39.04 1yx0 s ILE 3 CO -0.19 0.57 0.24 -0.54 -1.23 0.00 0.00 174.94 173.79 1yx0 s LYS 4 N -0.38 1.51 -0.21 2.79 1.02 0.57 -5.01 119.74 120.03 1yx0 s LYS 4 Ca 0.03 -1.78 -0.02 0.00 0.02 0.00 0.00 55.97 54.22 1yx0 s LYS 4 Cb -0.12 0.32 0.00 0.00 -0.52 0.00 0.00 37.83 37.52 1yx0 s LYS 4 CO 0.01 -0.55 -0.08 0.42 -0.92 0.00 0.00 175.35 174.23 1yx0 s ILE 5 N -3.76 2.96 -0.07 2.17 1.01 -1.26 -0.03 121.20 122.23 1yx0 s ILE 5 Ca 0.38 -0.69 0.03 0.00 0.00 0.00 0.00 60.65 60.37 1yx0 s ILE 5 Cb 0.04 -2.35 0.01 0.00 0.01 0.00 0.00 42.46 40.17 1yx0 s ILE 5 CO 0.19 0.42 -0.14 -0.62 0.00 0.00 0.00 174.94 174.79 1yx0 s ASP 6 N 1.41 1.97 -0.32 3.58 -1.08 -1.09 -4.87 116.67 116.27 1yx0 s ASP 6 Ca 0.05 -0.33 0.02 0.00 -0.52 0.00 0.00 52.55 51.76 1yx0 s ASP 6 Cb -0.14 -0.85 0.10 0.00 -1.46 0.00 0.00 42.92 40.56 1yx0 s ASP 6 CO -0.06 0.07 0.06 -1.81 0.52 0.00 0.00 175.17 173.94 1yx0 s ASP 7 N 0.52 4.41 -0.14 -0.34 -0.00 -1.26 -4.17 116.67 115.69 1yx0 s ASP 7 Ca -0.13 -1.87 -0.04 0.00 -0.00 0.00 0.00 52.55 50.50 1yx0 s ASP 7 Cb -0.15 -1.31 0.01 0.00 -0.00 0.00 0.00 42.92 41.47 1yx0 s ASP 7 CO 0.04 -0.38 0.09 -0.11 -0.00 0.00 0.00 175.17 174.81 1yx0 n LEU 8 N 4.51 -4.83 -3.35 1.23 -0.00 -1.26 -5.02 117.00 108.28 1yx0 n LEU 8 Ca 0.00 0.63 0.02 0.00 -0.00 0.00 0.00 56.01 56.66 1yx0 n LEU 8 Cb 0.42 -2.12 -0.04 0.00 -0.00 0.00 0.00 43.42 41.67 1yx0 n LEU 8 CO 0.18 -1.80 0.78 -0.89 -0.00 0.00 0.00 177.39 175.65 1yx0 s THR 9 N -1.28 -0.23 0.00 1.96 2.01 -1.26 -5.09 115.64 111.75 1yx0 s THR 9 Ca 0.05 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.05 1yx0 s THR 9 Cb -0.01 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1yx0 s THR 9 CO 0.32 0.00 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 1yx0 n GLY 10 N 4.52 -0.74 0.45 4.40 0.00 -1.26 -4.32 105.19 108.24 1yx0 n GLY 10 Ca -0.09 -0.93 0.27 0.00 0.00 0.00 0.00 46.02 45.26 1yx0 n GLY 10 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1yx0 h ARG 11 N 0.00 0.00 -0.13 1.61 0.11 -2.00 0.79 114.38 114.77 1yx0 h ARG 11 Ca 0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.99 1yx0 h ARG 11 Cb 0.00 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.08 1yx0 h ARG 11 CO 0.00 0.00 -0.28 1.96 0.10 0.00 0.00 179.97 181.75 1yx0 h GLN 12 N 0.00 0.41 -0.19 0.08 7.50 -1.98 0.51 115.11 121.45 1yx0 h GLN 12 Ca 0.38 -0.28 -0.16 0.00 0.50 0.00 0.00 58.65 59.09 1yx0 h GLN 12 Cb 1.58 0.04 -0.01 0.00 0.05 0.00 0.00 27.48 29.14 1yx0 h GLN 12 CO -0.00 0.88 -0.53 0.28 -1.50 0.00 0.00 178.83 177.95 1yx0 h VAL 13 N 0.00 1.32 -0.23 -0.54 2.07 -0.75 -2.72 116.25 115.41 1yx0 h VAL 13 Ca 0.00 -1.78 -0.15 0.00 0.82 0.00 0.00 66.70 65.60 1yx0 h VAL 13 Cb 0.88 1.75 0.00 0.00 -1.52 0.00 0.00 31.29 32.40 1yx0 h VAL 13 CO 0.06 0.55 -0.43 0.58 0.02 0.00 0.00 177.57 178.35 1yx0 h VAL 14 N 0.42 1.31 -0.77 2.57 2.07 0.43 -2.95 116.25 119.34 1yx0 h VAL 14 Ca 0.01 -1.65 0.14 0.00 0.82 0.00 0.00 66.70 66.02 1yx0 h VAL 14 Cb 1.07 1.79 -0.05 0.00 -1.52 0.00 0.00 31.29 32.58 1yx0 h VAL 14 CO 0.10 0.52 0.51 0.28 0.02 0.00 0.00 177.57 179.00 1yx0 h SER 15 N 0.41 0.47 -0.51 0.57 0.02 0.13 0.21 113.55 114.85 1yx0 h SER 15 Ca 0.01 0.02 -0.04 0.00 -0.84 0.00 0.00 61.79 60.95 1yx0 h SER 15 Cb 1.04 -0.07 -0.02 0.00 0.14 0.00 0.00 62.40 63.48 1yx0 h SER 15 CO 0.10 0.25 0.17 0.25 -1.14 0.00 0.00 176.83 176.46 1yx0 h LEU 16 N 0.51 0.73 -0.32 5.07 7.12 -1.31 -1.07 115.31 126.04 1yx0 h LEU 16 Ca 0.38 -0.19 -0.05 0.00 0.13 0.00 0.00 57.88 58.14 1yx0 h LEU 16 Cb 0.75 -0.19 -0.01 0.00 -0.53 0.00 0.00 40.66 40.67 1yx0 h LEU 16 CO -0.13 0.73 0.01 0.58 -0.13 0.00 0.00 178.44 179.50 1yx0 h VAL 17 N 0.70 1.25 -0.02 1.05 2.07 -0.72 -1.86 116.25 118.72 1yx0 h VAL 17 Ca 0.17 -0.92 0.01 0.00 0.82 0.00 0.00 66.70 66.77 1yx0 h VAL 17 Cb 0.25 1.23 -0.00 0.00 -1.52 0.00 0.00 31.29 31.25 1yx0 h VAL 17 CO -0.01 0.30 0.05 0.78 0.02 0.00 0.00 177.57 178.71 1yx0 h ASN 18 N 0.36 0.00 -3.21 0.57 2.35 -0.45 -3.46 115.58 111.73 1yx0 h ASN 18 Ca 0.09 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.81 1yx0 h ASN 18 Cb 0.42 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.79 1yx0 h ASN 18 CO 0.01 0.00 -0.40 -1.84 -1.65 0.00 0.00 177.43 173.55 1yx0 n GLU 19 N -3.41 -0.25 0.02 0.81 0.28 -0.43 -4.79 120.64 112.87 1yx0 n GLU 19 Ca -0.02 0.35 -0.06 0.00 -0.16 0.00 0.00 57.16 57.27 1yx0 n GLU 19 Cb 0.13 -0.46 0.13 0.00 1.43 0.00 0.00 31.44 32.67 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.25 -0.16 0.00 0.00 177.13 178.22 1yx0 h HIS 20 N 1.70 0.56 0.04 -1.84 2.76 -1.87 -3.15 115.15 113.36 1yx0 h HIS 20 Ca -0.05 -0.16 0.03 0.00 -2.20 0.00 0.00 60.37 57.98 1yx0 h HIS 20 Cb 0.42 -0.12 -0.05 0.00 1.55 0.00 0.00 27.41 29.21 1yx0 h HIS 20 CO 0.00 0.82 -0.36 -0.07 -1.30 0.00 0.00 177.93 177.01 1yx0 h LEU 21 N 0.39 -1.08 -7.62 0.26 3.38 -1.95 -3.19 115.31 105.50 1yx0 h LEU 21 Ca 0.03 0.13 -0.79 0.00 0.09 0.00 0.00 57.88 57.34 1yx0 h LEU 21 Cb 0.90 0.42 -0.28 0.00 0.09 0.00 0.00 40.66 41.79 1yx0 h LEU 21 CO 0.08 -0.43 0.34 -2.28 0.09 0.00 0.00 178.44 176.24 1yx0 s HIS 22 N -5.96 4.14 0.32 1.13 5.65 -1.19 -4.70 115.29 114.67 1yx0 s HIS 22 Ca -0.16 -2.54 0.05 0.00 0.25 0.00 0.00 55.06 52.66 1yx0 s HIS 22 Cb 0.08 -3.81 -0.03 0.00 -1.18 0.00 0.00 32.58 27.65 1yx0 s HIS 22 CO 0.64 -0.95 0.29 0.45 -0.65 0.00 0.00 174.74 174.52 1yx0 s SER 23 N 1.45 1.41 1.01 9.88 0.15 -1.21 -4.84 113.70 121.56 1yx0 s SER 23 Ca 0.27 -1.68 -0.02 0.00 0.70 0.00 0.00 55.95 55.22 1yx0 s SER 23 Cb -0.10 0.55 0.03 0.00 -1.71 0.00 0.00 66.02 64.80 1yx0 s SER 23 CO -0.08 -1.07 0.16 0.23 1.20 0.00 0.00 173.24 173.67 1yx0 n MET 24 N -0.58 -0.54 0.00 5.44 2.81 -1.26 -4.42 117.12 118.57 1yx0 n MET 24 Ca 0.06 -0.25 0.00 0.00 -1.81 0.00 0.00 57.70 55.70 1yx0 n MET 24 Cb 0.63 -0.19 0.00 0.00 -0.71 0.00 0.00 33.22 32.95 1yx0 n MET 24 CO 0.00 0.00 0.00 2.41 1.51 0.00 0.00 175.97 179.89 1yx0 n THR 25 N -2.43 0.00 -0.01 2.03 -1.04 -1.26 -4.62 114.28 106.95 1yx0 n THR 25 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 1yx0 n THR 25 Cb 0.07 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.58 1yx0 n THR 25 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1yx0 n LEU 26 N 0.00 0.00 -4.26 -4.42 -0.00 -1.26 -4.94 117.00 102.12 1yx0 n LEU 26 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 56.01 55.70 1yx0 n LEU 26 Cb 0.00 0.00 0.18 0.00 -0.00 0.00 0.00 43.42 43.60 1yx0 n LEU 26 CO 0.00 -0.65 -0.41 0.80 -0.00 0.00 0.00 177.39 177.12 1yx0 n MET 27 N -0.36 -1.87 -2.36 1.47 0.00 -1.26 -4.64 117.12 108.10 1yx0 n MET 27 Ca 0.00 -0.53 -0.03 0.00 0.00 0.00 0.00 57.70 57.14 1yx0 n MET 27 Cb 0.00 -1.71 -0.02 0.00 0.00 0.00 0.00 33.22 31.49 1yx0 n MET 27 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 175.97 176.40 1yx0 n SER 28 N -1.99 -3.03 -4.82 6.12 7.64 -1.26 -4.18 113.62 112.10 1yx0 n SER 28 Ca 0.01 1.05 -0.31 0.00 1.01 0.00 0.00 58.87 60.63 1yx0 n SER 28 Cb 0.60 -4.25 0.04 0.00 -1.01 0.00 0.00 64.21 59.58 1yx0 n SER 28 CO 0.00 0.00 0.00 -2.16 -3.01 0.00 0.00 175.04 169.87 1yx0 s PRO 29 N -0.95 3.05 1.08 1.43 0.04 -1.26 -4.26 135.00 134.13 1yx0 s PRO 29 Ca -0.13 1.00 -0.18 0.00 0.04 0.00 0.00 61.00 61.73 1yx0 s PRO 29 Cb 0.01 -2.00 0.24 0.00 0.04 0.00 0.00 34.50 32.79 1yx0 s PRO 29 CO 0.60 -1.01 1.22 -1.25 0.04 0.00 0.00 177.00 176.60 1yx0 s PRO 30 N -4.84 -0.31 -0.28 0.56 0.04 -1.26 -4.99 135.00 123.92 1yx0 s PRO 30 Ca 0.59 -0.25 0.03 0.00 0.04 0.00 0.00 61.00 61.41 1yx0 s PRO 30 Cb -0.14 -1.72 0.07 0.00 0.04 0.00 0.00 34.50 32.75 1yx0 s PRO 30 CO 0.51 -3.07 -0.05 -2.00 0.04 0.00 0.00 177.00 172.42 1yx0 s GLU 31 N -5.66 1.92 0.74 4.56 -6.30 -1.26 -5.10 118.70 107.60 1yx0 s GLU 31 Ca 0.73 -1.44 -0.17 0.00 -2.50 0.00 0.00 54.97 51.58 1yx0 s GLU 31 Cb -0.07 -2.92 -0.15 0.00 0.00 0.00 0.00 34.13 31.00 1yx0 s GLU 31 CO 0.54 -0.68 -0.46 -1.13 0.02 0.00 0.00 175.26 173.55 1yx0 n SER 32 N 4.42 -4.76 -1.36 -1.70 3.41 -1.26 -3.62 113.62 108.75 1yx0 n SER 32 Ca -0.09 0.41 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1yx0 n SER 32 Cb 0.42 -0.79 0.00 0.00 -0.26 0.00 0.00 64.21 63.58 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 -1.96 -4.67 0.00 -1.33 2.08 -1.26 -4.53 119.36 107.69 1yx0 n ILE 33 Ca 0.03 2.04 0.00 0.00 0.56 0.00 0.00 62.75 65.38 1yx0 n ILE 33 Cb 0.51 -2.82 0.00 0.00 -0.75 0.00 0.00 39.64 36.58 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 0.56 0.00 0.00 176.55 178.52 1yx0 n HIS 34 N -0.93 0.00 -3.01 1.39 8.25 -1.26 -4.75 115.22 114.92 1yx0 n HIS 34 Ca 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 57.72 57.32 1yx0 n HIS 34 Cb 0.00 0.00 0.01 0.00 1.12 0.00 0.00 29.99 31.13 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 n ALA 35 N 0.12 -2.85 -1.42 -1.41 0.00 -1.24 -4.74 120.51 108.97 1yx0 n ALA 35 Ca 0.00 0.80 0.00 0.00 0.00 0.00 0.00 53.44 54.24 1yx0 n ALA 35 Cb 0.00 -2.77 0.00 0.00 0.00 0.00 0.00 19.45 16.68 1yx0 n ALA 35 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1yx0 n LEU 36 N 0.00 -2.85 -2.75 0.00 7.94 -1.26 -4.44 117.00 113.65 1yx0 n LEU 36 Ca 0.04 2.67 -0.21 0.00 -1.11 0.00 0.00 56.01 57.40 1yx0 n LEU 36 Cb 0.44 -2.46 -0.07 0.00 0.53 0.00 0.00 43.42 41.86 1yx0 n LEU 36 CO 0.46 0.19 2.23 0.61 -1.11 0.00 0.00 177.39 179.77 1yx0 n GLY 37 N -0.64 3.19 0.09 -3.96 0.00 -1.26 -4.68 105.19 97.92 1yx0 n GLY 37 Ca 0.00 -1.07 -0.02 0.00 0.00 0.00 0.00 46.02 44.92 1yx0 n GLY 37 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1yx0 h LEU 38 N 6.59 -0.44 -4.54 0.99 4.07 -1.86 0.22 115.31 120.34 1yx0 h LEU 38 Ca 0.45 0.07 -0.51 0.00 0.08 0.00 0.00 57.88 57.97 1yx0 h LEU 38 Cb 0.64 0.19 -0.18 0.00 1.08 0.00 0.00 40.66 42.40 1yx0 h LEU 38 CO 1.04 -0.06 0.41 -0.62 -1.08 0.00 0.00 178.44 178.13 1yx0 n GLU 39 N -3.43 2.41 0.09 1.13 1.02 -1.26 -2.97 120.64 117.63 1yx0 n GLU 39 Ca 0.00 -2.37 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1yx0 n GLU 39 Cb 0.06 -2.14 0.00 0.00 -0.02 0.00 0.00 31.44 29.34 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 0.83 0.00 0.11 3.49 4.81 0.49 -4.89 118.16 123.00 1yx0 n LYS 40 Ca 0.49 0.00 -0.03 0.00 -0.87 0.00 0.00 58.31 57.90 1yx0 n LYS 40 Cb 0.54 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.62 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 1.17 0.00 0.00 177.40 178.50 1yx0 h LEU 41 N 0.00 0.00 -4.99 3.14 -0.00 -0.93 -3.34 115.31 109.20 1yx0 h LEU 41 Ca 0.00 0.00 -0.63 0.00 -0.00 0.00 0.00 57.88 57.25 1yx0 h LEU 41 Cb 0.00 0.00 0.03 0.00 -0.00 0.00 0.00 40.66 40.69 1yx0 h LEU 41 CO 0.00 0.75 3.62 -1.14 -0.00 0.00 0.00 178.44 181.67 1yx0 n ARG 42 N -3.46 3.53 -4.09 1.13 0.63 -1.16 -4.78 116.66 108.46 1yx0 n ARG 42 Ca 0.00 -2.10 -0.10 0.00 -0.92 0.00 0.00 57.85 54.73 1yx0 n ARG 42 Cb 0.78 -2.74 -0.09 0.00 0.45 0.00 0.00 32.46 30.85 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1yx0 s GLY 43 N 2.24 0.82 0.40 5.14 0.00 -1.25 -4.88 107.32 109.79 1yx0 s GLY 43 Ca 0.68 -1.28 0.27 0.00 0.00 0.00 0.00 44.72 44.39 1yx0 s GLY 43 CO -0.06 -1.20 1.78 -0.56 0.00 0.00 0.00 173.10 173.07 1yx0 h PRO 44 N 2.77 0.00 -1.89 2.90 0.13 -1.93 -3.22 132.00 130.76 1yx0 h PRO 44 Ca -0.34 0.00 -0.63 0.00 -0.87 0.00 0.00 66.00 64.16 1yx0 h PRO 44 Cb 1.21 0.00 -0.23 0.00 0.13 0.00 0.00 31.00 32.11 1yx0 h PRO 44 CO 0.56 0.00 0.75 -0.85 -0.23 0.00 0.00 178.00 178.23 1yx0 n GLU 45 N -2.79 2.56 -4.25 0.86 0.28 -1.26 -4.88 120.64 111.15 1yx0 n GLU 45 Ca 0.03 -2.93 -0.21 0.00 -0.16 0.00 0.00 57.16 53.89 1yx0 n GLU 45 Cb 0.39 -2.19 -0.16 0.00 1.43 0.00 0.00 31.44 30.91 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 -3.80 0.65 -0.02 3.84 -1.09 -1.22 -4.79 121.20 114.76 1yx0 s ILE 46 Ca 0.55 -0.19 0.05 0.00 -2.23 0.00 0.00 60.65 58.83 1yx0 s ILE 46 Cb 0.41 -0.65 -0.03 0.00 -1.58 0.00 0.00 42.46 40.62 1yx0 s ILE 46 CO -0.29 0.25 -0.18 -0.89 -1.23 0.00 0.00 174.94 172.60 1yx0 s THR 47 N 0.84 2.74 0.10 2.92 2.01 -1.26 -5.03 115.64 117.96 1yx0 s THR 47 Ca -0.12 -0.92 0.09 0.00 0.31 0.00 0.00 61.69 61.04 1yx0 s THR 47 Cb -0.15 -2.06 -0.04 0.00 0.01 0.00 0.00 72.50 70.26 1yx0 s THR 47 CO 0.01 0.53 -0.22 -0.36 -0.69 0.00 0.00 174.62 173.89 1yx0 s PHE 48 N -0.74 1.92 -0.10 4.92 0.40 -1.26 -3.43 117.98 119.68 1yx0 s PHE 48 Ca 0.12 -0.41 0.01 0.00 -0.60 0.00 0.00 56.93 56.05 1yx0 s PHE 48 Cb -0.10 -1.05 0.02 0.00 0.51 0.00 0.00 43.02 42.39 1yx0 s PHE 48 CO 0.01 0.23 -0.11 -1.58 0.70 0.00 0.00 175.22 174.47 1yx0 s TRP 49 N -1.11 1.64 -0.09 0.36 0.51 -0.97 -2.68 118.94 116.61 1yx0 s TRP 49 Ca 0.08 -0.77 -0.00 0.00 -2.12 0.00 0.00 56.10 53.29 1yx0 s TRP 49 Cb -0.10 -1.26 -0.03 0.00 -0.81 0.00 0.00 33.47 31.27 1yx0 s TRP 49 CO 0.04 -0.46 -0.06 -1.12 -0.51 0.00 0.00 176.95 174.85 1yx0 s SER 50 N 1.26 4.70 -0.09 2.95 0.01 0.96 0.13 113.70 123.63 1yx0 s SER 50 Ca -0.03 -0.04 -0.00 0.00 1.31 0.00 0.00 55.95 57.20 1yx0 s SER 50 Cb -0.14 -1.32 -0.03 0.00 0.21 0.00 0.00 66.02 64.74 1yx0 s SER 50 CO -0.04 0.32 -0.08 0.00 0.41 0.00 0.00 173.24 173.86 1yx0 s ALA 51 N -0.57 2.92 -0.18 1.44 0.00 -0.82 -0.32 121.76 124.23 1yx0 s ALA 51 Ca 0.09 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.16 1yx0 s ALA 51 Cb -0.12 -1.28 0.01 0.00 0.00 0.00 0.00 23.12 21.73 1yx0 s ALA 51 CO 0.02 0.46 -0.16 -1.58 0.00 0.00 0.00 175.76 174.50 1yx0 s TRP 52 N -0.42 2.80 -0.52 0.00 0.52 -0.38 0.12 118.94 121.06 1yx0 s TRP 52 Ca 0.06 -1.29 0.05 0.00 0.02 0.00 0.00 56.10 54.95 1yx0 s TRP 52 Cb -0.12 -1.94 0.20 0.00 -1.15 0.00 0.00 33.47 30.46 1yx0 s TRP 52 CO 0.02 -0.63 0.48 -1.91 0.02 0.00 0.00 176.95 174.93 1yx0 n GLU 53 N 4.42 1.07 0.00 4.98 4.07 -1.23 -3.97 120.64 129.98 1yx0 n GLU 53 Ca -0.20 -3.76 0.00 0.00 -0.06 0.00 0.00 57.16 53.14 1yx0 n GLU 53 Cb 0.51 -1.84 0.00 0.00 -0.06 0.00 0.00 31.44 30.05 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1yx0 n GLY 54 N 2.04 0.33 0.37 8.31 0.00 -1.26 -4.70 105.19 110.29 1yx0 n GLY 54 Ca 0.25 -1.31 0.08 0.00 0.00 0.00 0.00 46.02 45.05 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 1.66 -4.16 1.61 8.00 -1.26 -4.96 116.55 117.44 1yx0 n ASP 55 Ca 0.00 -1.33 -0.14 0.00 0.71 0.00 0.00 54.79 54.03 1yx0 n ASP 55 Cb 0.00 0.48 -0.11 0.00 -0.02 0.00 0.00 41.12 41.47 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 1yx0 s GLU 56 N -1.99 0.80 0.20 -1.24 0.41 -1.26 -5.11 118.70 110.51 1yx0 s GLU 56 Ca 0.14 -1.10 -0.32 0.00 -0.41 0.00 0.00 54.97 53.27 1yx0 s GLU 56 Cb 0.14 -0.49 -0.14 0.00 -1.78 0.00 0.00 34.13 31.86 1yx0 s GLU 56 CO 0.43 0.07 1.42 1.47 -0.49 0.00 0.00 175.26 178.16 1yx0 n LEU 57 N 0.68 2.84 0.12 1.80 -0.00 -1.26 -3.52 117.00 117.65 1yx0 n LEU 57 Ca -0.17 1.13 -0.19 0.00 -0.00 0.00 0.00 56.01 56.77 1yx0 n LEU 57 Cb 0.57 -1.39 -0.15 0.00 -0.00 0.00 0.00 43.42 42.46 1yx0 n LEU 57 CO 0.26 -0.57 -0.15 0.00 -0.00 0.00 0.00 177.39 176.93 1yx0 h ALA 58 N 4.54 0.02 0.00 1.47 0.00 0.58 -3.45 119.26 122.41 1yx0 h ALA 58 Ca -0.45 -0.90 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1yx0 h ALA 58 Cb 1.28 0.10 0.00 0.00 0.00 0.00 0.00 17.79 19.17 1yx0 h ALA 58 CO 0.78 0.89 0.00 0.41 0.00 0.00 0.00 179.25 181.33 1yx0 n GLY 59 N 1.62 -0.67 0.00 0.00 0.00 -0.69 -3.89 105.19 101.56 1yx0 n GLY 59 Ca -0.13 -0.49 0.00 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.09 3.18 3.46 0.00 0.00 0.12 -4.15 105.19 107.70 1yx0 n GLY 61 Ca 0.00 -1.63 -0.16 0.00 0.00 0.00 0.00 46.02 44.23 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 -2.34 -1.58 -0.22 4.61 0.00 -1.24 -2.28 121.76 118.71 1yx0 s ALA 62 Ca 0.14 0.99 -0.16 0.00 0.00 0.00 0.00 51.96 52.94 1yx0 s ALA 62 Cb 0.00 0.18 0.06 0.00 0.00 0.00 0.00 23.12 23.37 1yx0 s ALA 62 CO 0.10 -0.43 0.56 -0.48 0.00 0.00 0.00 175.76 175.51 1yx0 s LEU 63 N -1.54 -0.39 -0.11 0.00 0.05 -1.22 -2.84 118.68 112.63 1yx0 s LEU 63 Ca -0.09 1.19 -0.01 0.00 0.05 0.00 0.00 54.13 55.27 1yx0 s LEU 63 Cb -0.01 1.92 -0.03 0.00 -2.05 0.00 0.00 46.19 46.03 1yx0 s LEU 63 CO 0.05 -0.21 -0.05 -0.75 -0.55 0.00 0.00 176.35 174.84 1yx0 s LYS 64 N 1.00 3.19 0.68 1.48 2.20 -1.19 -4.24 119.74 122.87 1yx0 s LYS 64 Ca -0.06 -0.52 -0.17 0.00 -0.36 0.00 0.00 55.97 54.86 1yx0 s LYS 64 Cb -0.06 -2.75 -0.06 0.00 -1.51 0.00 0.00 37.83 33.45 1yx0 s LYS 64 CO -0.09 0.47 0.45 -0.85 -0.36 0.00 0.00 175.35 174.97 1yx0 n GLU 65 N 2.81 0.33 0.00 4.03 0.00 -1.26 -3.99 120.64 122.56 1yx0 n GLU 65 Ca -0.18 0.15 0.00 0.00 0.00 0.00 0.00 57.16 57.13 1yx0 n GLU 65 Cb 0.53 -1.72 0.00 0.00 0.00 0.00 0.00 31.44 30.24 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1yx0 n LEU 66 N 0.20 0.00 -4.79 -1.84 4.77 -1.17 -4.92 117.00 109.25 1yx0 n LEU 66 Ca 0.10 0.00 -0.33 0.00 -0.03 0.00 0.00 56.01 55.74 1yx0 n LEU 66 Cb 0.49 0.00 -0.07 0.00 -2.33 0.00 0.00 43.42 41.52 1yx0 n LEU 66 CO 0.51 0.00 -0.23 -1.81 -1.33 0.00 0.00 177.39 174.52 1yx0 s ASP 67 N 1.00 4.20 0.37 -1.43 -0.00 -0.06 -4.94 116.67 115.80 1yx0 s ASP 67 Ca 0.00 -1.68 0.09 0.00 -0.00 0.00 0.00 52.55 50.96 1yx0 s ASP 67 Cb 0.00 0.66 0.82 0.00 -0.00 0.00 0.00 42.92 44.41 1yx0 s ASP 67 CO 0.00 -0.93 1.90 0.71 -0.00 0.00 0.00 175.17 176.85 1yx0 h THR 68 N 1.25 0.89 -0.13 -1.27 1.35 -2.01 -2.78 112.91 110.21 1yx0 h THR 68 Ca -0.44 -0.23 -0.18 0.00 -0.55 0.00 0.00 66.41 65.02 1yx0 h THR 68 Cb 1.33 0.15 -0.31 0.00 -1.73 0.00 0.00 68.15 67.59 1yx0 h THR 68 CO 0.72 0.12 -0.92 -2.11 -0.25 0.00 0.00 175.52 173.09 1yx0 n ARG 69 N -4.52 0.90 -4.37 4.72 1.85 -1.26 -4.82 116.66 109.17 1yx0 n ARG 69 Ca 0.15 -2.70 -0.21 0.00 -1.00 0.00 0.00 57.85 54.09 1yx0 n ARG 69 Cb 0.40 -0.80 -0.16 0.00 -1.05 0.00 0.00 32.46 30.86 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 -1.62 0.95 0.22 2.89 2.46 -1.05 0.19 115.29 119.33 1yx0 s HIS 70 Ca 0.35 -0.26 -0.02 0.00 0.47 0.00 0.00 55.06 55.60 1yx0 s HIS 70 Cb 0.38 -0.70 -0.03 0.00 -0.13 0.00 0.00 32.58 32.09 1yx0 s HIS 70 CO -0.11 -0.13 0.21 0.20 -2.47 0.00 0.00 174.74 172.44 1yx0 s GLY 71 N 0.35 1.36 0.04 1.59 0.00 -1.26 -0.88 107.32 108.52 1yx0 s GLY 71 Ca -0.06 -1.59 -0.19 0.00 0.00 0.00 0.00 44.72 42.88 1yx0 s GLY 71 CO 0.01 -1.27 0.44 -1.83 0.00 0.00 0.00 173.10 170.45 1yx0 s GLU 72 N -4.04 0.94 -0.03 2.90 -1.05 -1.26 -4.06 118.70 112.11 1yx0 s GLU 72 Ca 0.36 -0.31 0.07 0.00 -0.15 0.00 0.00 54.97 54.94 1yx0 s GLU 72 Cb 0.05 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 34.15 1yx0 s GLU 72 CO 0.13 -0.32 -0.23 0.42 0.95 0.00 0.00 175.26 176.21 1yx0 s ILE 73 N -2.38 1.82 -0.21 1.83 1.09 -1.26 -3.15 121.20 118.94 1yx0 s ILE 73 Ca -0.06 -0.97 0.23 0.00 -1.10 0.00 0.00 60.65 58.75 1yx0 s ILE 73 Cb -0.01 -1.52 0.49 0.00 -1.06 0.00 0.00 42.46 40.36 1yx0 s ILE 73 CO -0.02 0.51 1.13 0.29 -0.10 0.00 0.00 174.94 176.76 1yx0 n LYS 74 N 2.65 1.46 -3.65 2.79 5.02 -1.13 -4.57 118.16 120.74 1yx0 n LYS 74 Ca -0.16 -3.22 -0.04 0.00 -2.02 0.00 0.00 58.31 52.86 1yx0 n LYS 74 Cb 0.52 -1.31 -0.06 0.00 -0.02 0.00 0.00 35.03 34.17 1yx0 n LYS 74 CO 0.00 0.00 0.00 -1.12 -0.52 0.00 0.00 177.40 175.76 1yx0 s SER 75 N -3.41 -1.02 -0.30 4.39 0.01 -1.25 -4.84 113.70 107.28 1yx0 s SER 75 Ca 0.30 1.51 -0.18 0.00 1.31 0.00 0.00 55.95 58.90 1yx0 s SER 75 Cb 0.34 1.85 0.18 0.00 0.21 0.00 0.00 66.02 68.60 1yx0 s SER 75 CO -0.06 -0.23 1.22 -0.32 0.41 0.00 0.00 173.24 174.26 1yx0 s MET 76 N 2.33 0.06 0.10 12.44 0.00 -1.26 -3.70 119.30 129.28 1yx0 s MET 76 Ca -0.08 0.11 -0.10 0.00 0.00 0.00 0.00 55.69 55.62 1yx0 s MET 76 Cb -0.09 0.06 0.00 0.00 0.00 0.00 0.00 34.83 34.81 1yx0 s MET 76 CO -0.19 -0.05 0.24 1.03 0.00 0.00 0.00 175.02 176.05 1yx0 s ARG 77 N 2.76 0.92 0.04 4.11 1.81 -1.26 -5.10 118.95 122.23 1yx0 s ARG 77 Ca -0.06 -0.93 0.06 0.00 -1.72 0.00 0.00 55.73 53.08 1yx0 s ARG 77 Cb -0.07 0.37 -0.03 0.00 -0.45 0.00 0.00 34.95 34.77 1yx0 s ARG 77 CO -0.10 -0.31 -0.15 0.99 -0.68 0.00 0.00 175.30 175.04 1yx0 s THR 78 N -3.86 2.99 0.10 0.02 2.01 -1.26 -4.47 115.64 111.17 1yx0 s THR 78 Ca 0.06 -1.11 -0.27 0.00 0.31 0.00 0.00 61.69 60.68 1yx0 s THR 78 Cb 0.04 -2.27 -0.09 0.00 0.01 0.00 0.00 72.50 70.18 1yx0 s THR 78 CO -0.10 0.34 1.45 -1.28 -0.69 0.00 0.00 174.62 174.33 1yx0 h SER 79 N 4.49 -1.49 -4.16 3.53 0.87 -1.91 -3.43 113.55 111.45 1yx0 h SER 79 Ca -0.48 0.19 -0.31 0.00 -1.23 0.00 0.00 61.79 59.96 1yx0 h SER 79 Cb 1.16 0.60 -0.15 0.00 -0.44 0.00 0.00 62.40 63.57 1yx0 h SER 79 CO 0.49 -0.35 -0.72 0.00 -0.53 0.00 0.00 176.83 175.73 1yx0 s ALA 80 N -5.29 1.30 0.31 6.23 0.00 -1.26 -5.02 121.76 118.03 1yx0 s ALA 80 Ca -0.12 -1.39 0.26 0.00 0.00 0.00 0.00 51.96 50.71 1yx0 s ALA 80 Cb 0.07 0.05 1.24 0.00 0.00 0.00 0.00 23.12 24.48 1yx0 s ALA 80 CO 0.50 -0.10 1.97 0.77 0.00 0.00 0.00 175.76 178.91 1yx0 h SER 81 N 3.02 0.00 -2.59 0.00 0.02 -2.05 -3.26 113.55 108.70 1yx0 h SER 81 Ca -0.37 0.00 -0.62 0.00 -0.84 0.00 0.00 61.79 59.96 1yx0 h SER 81 Cb 1.19 0.00 -0.41 0.00 0.14 0.00 0.00 62.40 63.32 1yx0 h SER 81 CO 0.61 0.17 -0.48 1.57 -1.14 0.00 0.00 176.83 177.55 1yx0 n HIS 82 N -3.53 3.51 -4.37 3.45 -0.00 -1.26 -5.05 115.22 107.97 1yx0 n HIS 82 Ca -0.01 -4.13 -0.21 0.00 0.46 0.00 0.00 57.72 53.83 1yx0 n HIS 82 Cb 0.32 -0.66 -0.11 0.00 -0.12 0.00 0.00 29.99 29.42 1yx0 n HIS 82 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 1yx0 s LEU 83 N -2.11 2.51 0.28 0.27 2.96 -1.23 -5.14 118.68 116.22 1yx0 s LEU 83 Ca 0.34 -0.95 -0.06 0.00 -0.22 0.00 0.00 54.13 53.24 1yx0 s LEU 83 Cb 0.07 -0.83 -0.05 0.00 0.50 0.00 0.00 46.19 45.88 1yx0 s LEU 83 CO -0.06 -0.07 0.56 -0.13 -1.32 0.00 0.00 176.35 175.33 1yx0 s ARG 84 N -3.25 3.66 0.22 1.98 1.81 -1.26 -4.92 118.95 117.18 1yx0 s ARG 84 Ca 0.21 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.28 1yx0 s ARG 84 Cb -0.04 -2.64 0.00 0.00 -0.45 0.00 0.00 34.95 31.82 1yx0 s ARG 84 CO 0.08 0.22 0.00 1.63 -0.68 0.00 0.00 175.30 176.55 1yx0 n LYS 85 N -0.84 -1.76 -2.47 3.54 4.01 -1.26 -4.69 118.16 114.70 1yx0 n LYS 85 Ca -0.01 1.33 -0.39 0.00 -0.51 0.00 0.00 58.31 58.73 1yx0 n LYS 85 Cb 0.54 -1.54 -0.03 0.00 -0.51 0.00 0.00 35.03 33.48 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1yx0 s GLY 86 N -3.00 1.02 0.10 0.72 0.00 -1.26 -4.85 107.32 100.04 1yx0 s GLY 86 Ca 0.00 -1.99 -0.32 0.00 0.00 0.00 0.00 44.72 42.41 1yx0 s GLY 86 CO 0.00 2.83 1.50 -2.08 0.00 0.00 0.00 173.10 175.35 1yx0 h VAL 87 N 6.78 0.00 -0.76 1.40 2.07 -1.90 0.30 116.25 124.14 1yx0 h VAL 87 Ca 0.11 0.00 0.19 0.00 0.82 0.00 0.00 66.70 67.82 1yx0 h VAL 87 Cb 1.02 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 30.75 1yx0 h VAL 87 CO 1.37 0.00 0.53 0.00 0.02 0.00 0.00 177.57 179.49 1yx0 h ALA 88 N -0.62 2.42 -0.42 1.67 0.00 -1.89 0.30 119.26 120.72 1yx0 h ALA 88 Ca -0.00 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.86 1yx0 h ALA 88 Cb 0.69 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.47 1yx0 h ALA 88 CO -0.27 -0.64 0.13 -0.22 0.00 0.00 0.00 179.25 178.25 1yx0 h LYS 89 N 0.20 0.65 -0.55 0.00 3.64 -1.01 1.41 116.57 120.90 1yx0 h LYS 89 Ca 0.37 -0.14 0.03 0.00 -1.27 0.00 0.00 60.65 59.64 1yx0 h LYS 89 Cb 1.18 -0.09 -0.04 0.00 -0.41 0.00 0.00 32.23 32.86 1yx0 h LYS 89 CO -0.07 0.64 0.32 1.96 -2.27 0.00 0.00 179.45 180.03 1yx0 h GLN 90 N 0.54 0.61 -0.00 1.90 4.20 0.29 0.27 115.11 122.92 1yx0 h GLN 90 Ca 0.14 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.81 1yx0 h GLN 90 Cb 0.26 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.90 1yx0 h GLN 90 CO -0.00 0.41 -0.00 0.28 -0.67 0.00 0.00 178.83 178.84 1yx0 h VAL 91 N 0.63 1.53 -0.73 -0.54 2.07 -1.09 -2.96 116.25 115.17 1yx0 h VAL 91 Ca 0.23 -1.56 0.16 0.00 0.82 0.00 0.00 66.70 66.35 1yx0 h VAL 91 Cb 0.06 2.59 -0.12 0.00 -1.52 0.00 0.00 31.29 32.30 1yx0 h VAL 91 CO -0.11 0.41 0.08 0.25 0.02 0.00 0.00 177.57 178.21 1yx0 h LEU 92 N -0.66 -0.18 -0.37 2.57 5.85 0.21 0.60 115.31 123.33 1yx0 h LEU 92 Ca -0.00 0.17 0.06 0.00 0.84 0.00 0.00 57.88 58.95 1yx0 h LEU 92 Cb 0.67 0.27 -0.05 0.00 0.37 0.00 0.00 40.66 41.91 1yx0 h LEU 92 CO 0.00 -0.11 0.03 -0.61 -0.34 0.00 0.00 178.44 177.41 1yx0 h GLN 93 N 0.17 0.14 -0.48 1.25 4.15 -0.48 0.76 115.11 120.62 1yx0 h GLN 93 Ca 0.40 -0.01 -0.03 0.00 0.77 0.00 0.00 58.65 59.79 1yx0 h GLN 93 Cb 0.70 -0.03 -0.02 0.00 0.21 0.00 0.00 27.48 28.34 1yx0 h GLN 93 CO -0.58 0.09 0.20 1.25 -1.93 0.00 0.00 178.83 177.86 1yx0 h HIS 94 N 0.14 0.73 0.18 3.99 2.76 -0.46 0.22 115.15 122.71 1yx0 h HIS 94 Ca 0.18 -0.05 -0.00 0.00 -2.20 0.00 0.00 60.37 58.29 1yx0 h HIS 94 Cb 0.23 -0.22 -0.00 0.00 1.55 0.00 0.00 27.41 28.97 1yx0 h HIS 94 CO -0.22 0.61 -0.12 0.82 -1.30 0.00 0.00 177.93 177.72 1yx0 h ILE 95 N 0.64 0.74 -0.81 6.26 2.04 0.10 0.51 117.51 126.99 1yx0 h ILE 95 Ca 0.16 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.07 1yx0 h ILE 95 Cb 0.19 0.74 -0.06 0.00 -0.74 0.00 0.00 36.82 36.95 1yx0 h ILE 95 CO -0.01 0.00 0.50 0.40 0.00 0.00 0.00 178.15 179.04 1yx0 h ILE 96 N -0.30 1.06 -0.53 -0.67 2.04 0.69 -1.39 117.51 118.41 1yx0 h ILE 96 Ca -0.01 -0.32 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1yx0 h ILE 96 Cb 0.25 0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.35 1yx0 h ILE 96 CO 0.01 0.17 0.25 -0.08 0.00 0.00 0.00 178.15 178.50 1yx0 h GLU 97 N 0.94 0.77 -0.45 2.37 4.22 0.03 0.13 114.58 122.58 1yx0 h GLU 97 Ca 0.35 -0.12 0.07 0.00 0.08 0.00 0.00 59.36 59.73 1yx0 h GLU 97 Cb 0.12 -0.14 -0.06 0.00 0.50 0.00 0.00 28.75 29.18 1yx0 h GLU 97 CO -0.15 0.64 0.13 0.93 -2.18 0.00 0.00 179.01 178.38 1yx0 h GLU 98 N 0.71 0.27 -0.08 1.92 4.39 0.10 0.95 114.58 122.85 1yx0 h GLU 98 Ca 0.18 -0.02 -0.10 0.00 0.34 0.00 0.00 59.36 59.76 1yx0 h GLU 98 Cb 0.13 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1yx0 h GLU 98 CO -0.02 0.18 -0.41 0.00 -1.16 0.00 0.00 179.01 177.60 1yx0 h ALA 99 N 1.32 1.17 0.00 3.43 0.00 -0.98 -2.06 119.26 122.14 1yx0 h ALA 99 Ca 0.22 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.70 1yx0 h ALA 99 Cb 0.25 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yx0 h ALA 99 CO -0.25 0.57 -0.12 0.93 0.00 0.00 0.00 179.25 180.38 1yx0 h GLU 100 N 0.14 0.00 0.07 0.00 4.39 0.12 1.39 114.58 120.69 1yx0 h GLU 100 Ca 0.01 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.52 1yx0 h GLU 100 Cb 0.80 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.47 1yx0 h GLU 100 CO 0.06 0.12 -0.81 -0.22 -1.16 0.00 0.00 179.01 177.00 1yx0 h LYS 101 N 0.00 0.42 0.10 2.33 3.64 -0.19 -3.31 116.57 119.56 1yx0 h LYS 101 Ca -0.00 -0.55 -0.26 0.00 -1.27 0.00 0.00 60.65 58.57 1yx0 h LYS 101 Cb 0.45 0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1yx0 h LYS 101 CO 0.02 1.21 -1.19 0.00 -2.27 0.00 0.00 179.45 177.21 1yx0 h ARG 102 N -0.11 0.21 -2.00 1.90 3.08 -1.20 -3.49 114.38 112.76 1yx0 h ARG 102 Ca -0.12 -0.35 0.00 0.00 0.07 0.00 0.00 59.98 59.57 1yx0 h ARG 102 Cb 1.55 0.13 0.00 0.00 0.08 0.00 0.00 29.97 31.73 1yx0 h ARG 102 CO 0.16 1.17 0.00 0.41 -1.07 0.00 0.00 179.97 180.63 1yx0 n GLY 103 N 1.49 0.82 0.70 0.04 0.00 0.47 -5.03 105.19 103.68 1yx0 n GLY 103 Ca -0.07 -0.42 -0.06 0.00 0.00 0.00 0.00 46.02 45.47 1yx0 n GLY 103 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1yx0 n TYR 104 N -1.00 -2.75 -0.09 1.61 4.01 -0.88 -4.80 117.16 113.26 1yx0 n TYR 104 Ca 0.00 -0.19 -0.12 0.00 -0.16 0.00 0.00 57.90 57.43 1yx0 n TYR 104 Cb 0.36 -0.25 -0.08 0.00 -0.31 0.00 0.00 39.34 39.06 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -0.46 0.00 0.00 176.86 174.49 1yx0 n GLU 105 N -2.52 0.45 -3.50 -0.72 0.00 0.49 -4.93 120.64 109.91 1yx0 n GLU 105 Ca 0.03 0.10 -0.10 0.00 0.00 0.00 0.00 57.16 57.19 1yx0 n GLU 105 Cb 0.12 -1.34 -0.02 0.00 0.00 0.00 0.00 31.44 30.20 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1yx0 s ARG 106 N -2.34 1.13 -0.17 5.31 3.00 -1.25 -4.28 118.95 120.34 1yx0 s ARG 106 Ca -0.23 -0.44 0.00 0.00 0.00 0.00 0.00 55.73 55.06 1yx0 s ARG 106 Cb 0.06 0.50 0.01 0.00 0.00 0.00 0.00 34.95 35.52 1yx0 s ARG 106 CO 0.40 -0.50 -0.16 -1.17 0.00 0.00 0.00 175.30 173.87 1yx0 s LEU 107 N -2.66 2.37 0.39 2.53 2.96 -1.02 -4.18 118.68 119.06 1yx0 s LEU 107 Ca 0.04 -0.54 0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1yx0 s LEU 107 Cb -0.01 -1.55 -0.02 0.00 0.50 0.00 0.00 46.19 45.11 1yx0 s LEU 107 CO -0.10 0.03 0.37 -0.94 -1.32 0.00 0.00 176.35 174.39 1yx0 s SER 108 N 1.12 5.20 0.21 3.68 1.04 -1.26 -1.04 113.70 122.66 1yx0 s SER 108 Ca 0.01 -0.62 -0.22 0.00 0.48 0.00 0.00 55.95 55.59 1yx0 s SER 108 Cb -0.14 -0.73 0.05 0.00 0.10 0.00 0.00 66.02 65.29 1yx0 s SER 108 CO -0.06 -0.56 0.72 -1.48 0.98 0.00 0.00 173.24 172.84 1yx0 s LEU 109 N -4.10 -0.36 -0.47 2.42 0.05 -1.26 -3.99 118.68 110.96 1yx0 s LEU 109 Ca 0.46 -0.36 -0.13 0.00 0.05 0.00 0.00 54.13 54.16 1yx0 s LEU 109 Cb -0.05 2.59 0.10 0.00 -2.05 0.00 0.00 46.19 46.78 1yx0 s LEU 109 CO 0.28 -1.14 0.37 -0.70 -0.55 0.00 0.00 176.35 174.61 1yx0 s GLU 110 N -3.75 2.78 -0.04 1.48 2.12 -1.26 -3.84 118.70 116.19 1yx0 s GLU 110 Ca 0.08 -1.54 0.00 0.00 0.36 0.00 0.00 54.97 53.86 1yx0 s GLU 110 Cb -0.04 -4.04 0.03 0.00 0.26 0.00 0.00 34.13 30.34 1yx0 s GLU 110 CO -0.01 -1.11 -0.00 0.99 -0.54 0.00 0.00 175.26 174.59 1yx0 s THR 111 N 1.52 0.22 -0.30 -1.70 2.01 -1.26 -5.03 115.64 111.10 1yx0 s THR 111 Ca 0.04 0.08 0.20 0.00 0.31 0.00 0.00 61.69 62.32 1yx0 s THR 111 Cb -0.26 -0.32 0.48 0.00 0.01 0.00 0.00 72.50 72.41 1yx0 s THR 111 CO 0.03 0.17 1.08 0.61 -0.69 0.00 0.00 174.62 175.82 1yx0 n GLY 112 N 4.28 1.66 2.26 4.40 0.00 -1.24 -4.20 105.19 112.35 1yx0 n GLY 112 Ca -0.23 -1.06 -0.14 0.00 0.00 0.00 0.00 46.02 44.59 1yx0 n GLY 112 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yx0 n SER 113 N -0.42 -4.06 -4.72 1.61 7.64 -1.26 -4.45 113.62 107.96 1yx0 n SER 113 Ca 0.06 0.25 -0.42 0.00 1.01 0.00 0.00 58.87 59.77 1yx0 n SER 113 Cb 0.82 -3.58 -0.03 0.00 -1.01 0.00 0.00 64.21 60.41 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -3.01 0.00 0.00 175.04 171.99 1yx0 s MET 114 N -4.13 4.17 0.55 1.43 1.00 -1.26 -4.74 119.30 116.32 1yx0 s MET 114 Ca 0.00 2.49 0.27 0.00 0.00 0.00 0.00 55.69 58.46 1yx0 s MET 114 Cb 0.00 -3.16 1.46 0.00 0.00 0.00 0.00 34.83 33.13 1yx0 s MET 114 CO 0.00 -0.70 1.97 0.00 0.00 0.00 0.00 175.02 176.30 1yx0 h ALA 115 N 6.96 2.38 0.00 3.03 0.00 -1.97 1.71 119.26 131.37 1yx0 h ALA 115 Ca -0.43 -0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.32 1yx0 h ALA 115 Cb 1.20 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 1yx0 h ALA 115 CO 0.94 -0.68 -0.67 0.66 0.00 0.00 0.00 179.25 179.50 1yx0 h SER 116 N 0.00 0.00 -0.21 0.00 4.64 -1.98 -3.23 113.55 112.77 1yx0 h SER 116 Ca 0.24 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.39 1yx0 h SER 116 Cb 1.07 0.00 -0.18 0.00 -0.31 0.00 0.00 62.40 62.98 1yx0 h SER 116 CO -0.00 0.67 -0.68 0.49 -0.87 0.00 0.00 176.83 176.44 1yx0 n PHE 117 N -3.65 0.76 0.13 4.77 0.99 0.28 -4.82 117.46 115.93 1yx0 n PHE 117 Ca -0.01 -1.60 -0.13 0.00 -0.00 0.00 0.00 57.45 55.71 1yx0 n PHE 117 Cb 0.68 -0.26 -0.06 0.00 -1.00 0.00 0.00 39.48 38.84 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.00 0.00 0.00 176.76 177.69 1yx0 h GLU 118 N 1.38 -0.46 0.00 -1.08 5.08 0.21 -2.05 114.58 117.66 1yx0 h GLU 118 Ca 0.06 0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.43 1yx0 h GLU 118 Cb 1.26 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 30.61 1yx0 h GLU 118 CO 0.21 -0.31 -0.11 -1.00 -1.00 0.00 0.00 179.01 176.81 1yx0 h PRO 119 N -0.48 0.00 -0.38 2.33 0.13 -1.87 -3.23 132.00 128.50 1yx0 h PRO 119 Ca 0.02 0.00 0.08 0.00 -0.87 0.00 0.00 66.00 65.23 1yx0 h PRO 119 Cb 0.48 0.00 -0.08 0.00 0.13 0.00 0.00 31.00 31.53 1yx0 h PRO 119 CO -0.11 0.11 -0.18 0.00 -0.23 0.00 0.00 178.00 177.59 1yx0 h ALA 120 N 1.89 0.11 -0.08 -0.56 0.00 -1.70 1.55 119.26 120.47 1yx0 h ALA 120 Ca -0.00 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.00 1yx0 h ALA 120 Cb 0.83 0.44 -0.01 0.00 0.00 0.00 0.00 17.79 19.05 1yx0 h ALA 120 CO 0.01 -0.55 -0.18 0.07 0.00 0.00 0.00 179.25 178.61 1yx0 h ARG 121 N -0.11 0.12 -0.05 0.00 -0.00 -1.54 0.18 114.38 112.99 1yx0 h ARG 121 Ca 0.19 -0.03 -0.18 0.00 -0.00 0.00 0.00 59.98 59.96 1yx0 h ARG 121 Cb 0.40 -0.02 -0.01 0.00 -0.00 0.00 0.00 29.97 30.34 1yx0 h ARG 121 CO -0.45 0.30 -0.76 0.87 -0.00 0.00 0.00 179.97 179.93 1yx0 h LYS 122 N 0.11 0.30 -0.14 0.08 1.57 -0.56 -1.68 116.57 116.25 1yx0 h LYS 122 Ca 0.02 -0.27 -0.18 0.00 -1.87 0.00 0.00 60.65 58.36 1yx0 h LYS 122 Cb 0.39 0.06 0.01 0.00 0.08 0.00 0.00 32.23 32.76 1yx0 h LYS 122 CO 0.03 0.93 -0.61 1.25 -0.57 0.00 0.00 179.45 180.47 1yx0 h LEU 123 N 0.20 0.78 0.31 2.94 7.12 0.29 -1.82 115.31 125.13 1yx0 h LEU 123 Ca -0.03 -0.62 -0.02 0.00 0.13 0.00 0.00 57.88 57.34 1yx0 h LEU 123 Cb 1.34 -0.23 0.00 0.00 -0.53 0.00 0.00 40.66 41.24 1yx0 h LEU 123 CO 0.12 1.28 -0.15 1.88 -0.13 0.00 0.00 178.44 181.44 1yx0 h TYR 124 N 0.34 -0.39 0.00 1.25 -1.99 -0.64 -2.33 116.97 113.20 1yx0 h TYR 124 Ca -0.04 -0.01 -0.01 0.00 2.00 0.00 0.00 58.73 60.67 1yx0 h TYR 124 Cb 1.24 0.13 -0.00 0.00 2.00 0.00 0.00 36.73 40.10 1yx0 h TYR 124 CO 0.10 -0.19 -0.06 1.05 -0.00 0.00 0.00 178.16 179.06 1yx0 h GLU 125 N -0.49 0.00 0.00 4.88 -0.00 -1.38 0.15 114.58 117.74 1yx0 h GLU 125 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1yx0 h GLU 125 Cb 0.37 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.12 1yx0 h GLU 125 CO 0.07 0.06 0.00 0.45 -0.00 0.00 0.00 179.01 179.59 1yx0 n SER 126 N -4.14 0.22 0.01 3.06 2.88 -0.68 -1.68 113.62 113.29 1yx0 n SER 126 Ca -0.03 0.56 0.11 0.00 -1.33 0.00 0.00 58.87 58.18 1yx0 n SER 126 Cb 0.15 -0.60 -0.12 0.00 -0.75 0.00 0.00 64.21 62.88 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 -1.74 0.12 0.00 0.66 -0.00 0.52 -4.96 117.46 112.05 1yx0 n PHE 127 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1yx0 n PHE 127 Cb 0.19 -0.43 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 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 1.31 1.62 2.97 7.13 0.00 -0.68 -5.11 105.19 112.43 1yx0 n GLY 128 Ca -0.01 -0.05 -0.46 0.00 0.00 0.00 0.00 46.02 45.49 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 0.03 -4.63 1.61 3.01 -1.13 -4.91 117.46 111.44 1yx0 n PHE 129 Ca 0.00 0.87 -0.26 0.00 1.01 0.00 0.00 57.45 59.07 1yx0 n PHE 129 Cb 0.00 -1.74 -0.14 0.00 -0.01 0.00 0.00 39.48 37.59 1yx0 n PHE 129 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 1yx0 s GLN 130 N -0.47 1.40 0.39 -1.08 -2.07 -0.72 -4.26 119.66 112.86 1yx0 s GLN 130 Ca 0.66 -0.99 -0.27 0.00 -1.82 0.00 0.00 55.36 52.93 1yx0 s GLN 130 Cb -0.94 -1.55 -0.10 0.00 -1.09 0.00 0.00 33.01 29.33 1yx0 s GLN 130 CO 0.49 0.39 1.47 0.71 -1.32 0.00 0.00 175.29 177.03 1yx0 s TYR 131 N -0.85 2.56 0.06 9.60 2.02 -1.26 0.08 117.35 129.56 1yx0 s TYR 131 Ca 0.08 1.19 -0.07 0.00 -0.37 0.00 0.00 57.07 57.90 1yx0 s TYR 131 Cb -0.09 -4.00 0.02 0.00 -0.40 0.00 0.00 41.96 37.49 1yx0 s TYR 131 CO 0.02 -2.99 0.33 0.00 -1.57 0.00 0.00 175.55 171.34 1yx0 n GLU 133 N -0.23 0.22 -2.38 0.00 1.02 -1.26 -4.12 120.64 113.90 1yx0 n GLU 133 Ca -0.01 0.08 -0.43 0.00 -0.02 0.00 0.00 57.16 56.78 1yx0 n GLU 133 Cb 0.18 -1.16 -0.02 0.00 -0.02 0.00 0.00 31.44 30.43 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 1.18 0.00 0.00 177.13 177.06 1yx0 s PRO 134 N -1.13 3.88 -0.04 3.49 0.04 -1.26 -4.55 135.00 135.43 1yx0 s PRO 134 Ca 0.62 1.28 0.18 0.00 0.04 0.00 0.00 61.00 63.13 1yx0 s PRO 134 Cb -0.81 -3.91 -0.22 0.00 0.04 0.00 0.00 34.50 29.61 1yx0 s PRO 134 CO 0.58 -1.17 0.52 0.34 0.04 0.00 0.00 177.00 177.31 1yx0 n PHE 135 N 7.79 0.47 0.00 0.56 -0.00 -1.26 -2.91 117.46 122.12 1yx0 n PHE 135 Ca 0.15 0.16 0.00 0.00 -0.00 0.00 0.00 57.45 57.76 1yx0 n PHE 135 Cb 0.46 -0.93 0.00 0.00 -0.00 0.00 0.00 39.48 39.01 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 -2.48 -0.02 -2.31 3.13 0.00 -1.25 -4.11 120.51 113.47 1yx0 n ALA 136 Ca -0.16 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.32 1yx0 n ALA 136 Cb 0.88 0.31 0.04 0.00 0.00 0.00 0.00 19.45 20.68 1yx0 n ALA 136 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1yx0 n ASP 137 N -1.70 1.01 -1.03 0.00 2.03 -1.26 -5.00 116.55 110.60 1yx0 n ASP 137 Ca 0.00 -2.26 0.12 0.00 0.52 0.00 0.00 54.79 53.17 1yx0 n ASP 137 Cb 0.00 -0.32 -0.04 0.00 -0.72 0.00 0.00 41.12 40.04 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 1yx0 n TYR 138 N 0.21 -2.32 0.00 -0.67 4.02 -1.14 -5.02 117.16 112.24 1yx0 n TYR 138 Ca 0.07 1.20 0.00 0.00 -0.01 0.00 0.00 57.90 59.16 1yx0 n TYR 138 Cb 1.04 -2.11 0.00 0.00 -0.02 0.00 0.00 39.34 38.25 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1yx0 n GLY 139 N -3.24 -2.49 4.00 2.72 0.00 -1.26 -4.97 105.19 99.94 1yx0 n GLY 139 Ca -0.01 -1.32 -0.18 0.00 0.00 0.00 0.00 46.02 44.51 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 -4.15 2.70 -0.20 1.61 2.02 -1.26 -4.74 118.70 114.68 1yx0 s GLU 140 Ca 0.00 -1.16 -0.28 0.00 0.02 0.00 0.00 54.97 53.55 1yx0 s GLU 140 Cb 0.00 -2.68 0.12 0.00 0.10 0.00 0.00 34.13 31.67 1yx0 s GLU 140 CO 0.00 -0.44 0.98 -0.51 0.02 0.00 0.00 175.26 175.31 1yx0 s ASP 141 N -4.40 -0.44 0.13 -0.19 -0.00 -1.26 -5.02 116.67 105.49 1yx0 s ASP 141 Ca 0.56 0.65 0.23 0.00 -0.00 0.00 0.00 52.55 54.00 1yx0 s ASP 141 Cb -0.10 0.59 0.91 0.00 -0.00 0.00 0.00 42.92 44.33 1yx0 s ASP 141 CO 0.35 -0.28 1.72 -0.81 -0.00 0.00 0.00 175.17 176.15 1yx0 n PRO 142 N 1.41 0.12 -3.24 8.23 -0.04 -1.26 -3.70 135.00 136.52 1yx0 n PRO 142 Ca -0.12 0.23 -0.25 0.00 -0.04 0.00 0.00 63.50 63.32 1yx0 n PRO 142 Cb 0.57 -1.68 -0.06 0.00 -0.04 0.00 0.00 33.50 32.28 1yx0 n PRO 142 CO 0.00 0.00 0.00 0.27 -0.04 0.00 0.00 175.50 175.73 1yx0 n ASN 143 N -1.91 2.47 -3.62 3.54 0.23 -1.26 -5.05 115.26 109.67 1yx0 n ASN 143 Ca 0.04 -3.21 -0.06 0.00 -0.53 0.00 0.00 54.58 50.82 1yx0 n ASN 143 Cb 0.30 -0.64 -0.05 0.00 -2.08 0.00 0.00 39.78 37.31 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.44 -0.93 0.00 0.00 177.26 175.89 1yx0 s SER 144 N -2.27 -0.22 -0.03 0.53 0.01 -1.24 -4.72 113.70 105.76 1yx0 s SER 144 Ca 0.40 0.28 0.04 0.00 1.31 0.00 0.00 55.95 57.99 1yx0 s SER 144 Cb 0.20 0.24 -0.01 0.00 0.21 0.00 0.00 66.02 66.66 1yx0 s SER 144 CO -0.07 -0.17 -0.16 0.68 0.41 0.00 0.00 173.24 173.93 1yx0 s VAL 145 N -0.82 1.28 0.05 3.43 -7.23 -1.26 -4.81 120.40 111.04 1yx0 s VAL 145 Ca 0.04 -0.66 0.04 0.00 -1.81 0.00 0.00 61.98 59.58 1yx0 s VAL 145 Cb -0.02 -1.09 -0.02 0.00 0.56 0.00 0.00 36.38 35.81 1yx0 s VAL 145 CO -0.05 0.37 -0.11 0.72 -0.31 0.00 0.00 175.10 175.73 1yx0 s PHE 146 N -0.12 0.92 0.22 2.82 -0.71 -1.26 -3.63 117.98 116.21 1yx0 s PHE 146 Ca 0.01 -0.44 -0.20 0.00 -1.04 0.00 0.00 56.93 55.26 1yx0 s PHE 146 Cb -0.09 -0.54 0.04 0.00 -1.21 0.00 0.00 43.02 41.22 1yx0 s PHE 146 CO 0.01 -0.01 0.62 0.00 -1.34 0.00 0.00 175.22 174.49 1yx0 s MET 147 N -1.47 1.50 0.05 1.99 0.23 -1.26 -2.30 119.30 118.04 1yx0 s MET 147 Ca -0.05 -0.80 -0.00 0.00 -1.03 0.00 0.00 55.69 53.81 1yx0 s MET 147 Cb -0.09 0.57 -0.03 0.00 -1.53 0.00 0.00 34.83 33.75 1yx0 s MET 147 CO 0.01 -0.66 -0.04 -0.08 -2.03 0.00 0.00 175.02 172.22 1yx0 s THR 148 N -3.86 0.26 -0.13 3.16 -1.32 0.11 -4.54 115.64 109.33 1yx0 s THR 148 Ca 0.08 -1.56 -0.07 0.00 -1.21 0.00 0.00 61.69 58.93 1yx0 s THR 148 Cb -0.03 -1.17 -0.04 0.00 -1.51 0.00 0.00 72.50 69.75 1yx0 s THR 148 CO -0.02 -0.83 0.13 -0.75 -2.21 0.00 0.00 174.62 170.94 1yx0 s LYS 149 N -3.16 3.48 -0.29 7.08 2.36 -0.21 -1.76 119.74 127.24 1yx0 s LYS 149 Ca 0.01 -0.16 -0.02 0.00 -2.55 0.00 0.00 55.97 53.24 1yx0 s LYS 149 Cb 0.02 -3.18 0.04 0.00 -1.05 0.00 0.00 37.83 33.67 1yx0 s LYS 149 CO -0.07 0.72 -0.01 0.21 1.55 0.00 0.00 175.35 177.76 1yx0 s LYS 150 N -0.87 2.53 0.00 4.03 2.20 -1.26 -2.44 119.74 123.92 1yx0 s LYS 150 Ca 0.14 -1.20 0.00 0.00 -0.36 0.00 0.00 55.97 54.55 1yx0 s LYS 150 Cb -0.12 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.05 1yx0 s LYS 150 CO 0.03 -0.57 0.29 1.28 -0.36 0.00 0.00 175.35 176.02