#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 -1.23 -0.05 2.03 0.09 -1.24 -5.07 115.29 109.82 1yx0 s HIS 2 Ca 0.00 1.22 0.06 0.00 -0.00 0.00 0.00 55.06 56.34 1yx0 s HIS 2 Cb 0.00 0.40 -0.01 0.00 -0.00 0.00 0.00 32.58 32.96 1yx0 s HIS 2 CO 0.00 -0.68 -0.24 0.42 -0.00 0.00 0.00 174.74 174.24 1yx0 s ILE 3 N 2.89 2.16 0.35 0.60 -1.09 -1.26 -1.29 121.20 123.55 1yx0 s ILE 3 Ca 0.13 -1.04 0.01 0.00 -2.23 0.00 0.00 60.65 57.52 1yx0 s ILE 3 Cb -0.12 -1.78 -0.01 0.00 -1.58 0.00 0.00 42.46 38.97 1yx0 s ILE 3 CO -0.18 0.57 0.42 -0.54 -1.23 0.00 0.00 174.94 173.98 1yx0 s LYS 4 N -0.33 1.89 -0.08 2.79 1.02 -0.21 -4.98 119.74 119.84 1yx0 s LYS 4 Ca 0.01 -1.86 0.00 0.00 0.02 0.00 0.00 55.97 54.15 1yx0 s LYS 4 Cb -0.12 0.41 -0.03 0.00 -0.52 0.00 0.00 37.83 37.57 1yx0 s LYS 4 CO 0.02 -0.76 -0.07 0.42 -0.92 0.00 0.00 175.35 174.04 1yx0 s ILE 5 N -3.11 3.70 -0.11 2.17 1.01 -1.26 -1.00 121.20 122.59 1yx0 s ILE 5 Ca 0.34 -0.47 0.02 0.00 0.00 0.00 0.00 60.65 60.53 1yx0 s ILE 5 Cb 0.00 -2.53 0.02 0.00 0.01 0.00 0.00 42.46 39.96 1yx0 s ILE 5 CO 0.23 0.58 -0.15 -0.62 0.00 0.00 0.00 174.94 174.98 1yx0 s ASP 6 N -0.60 2.46 -0.30 3.58 2.15 -0.05 -4.76 116.67 119.14 1yx0 s ASP 6 Ca 0.09 -0.43 0.03 0.00 0.43 0.00 0.00 52.55 52.66 1yx0 s ASP 6 Cb -0.12 -1.09 0.08 0.00 -0.30 0.00 0.00 42.92 41.49 1yx0 s ASP 6 CO 0.02 0.01 0.00 -1.81 -0.17 0.00 0.00 175.17 173.21 1yx0 s ASP 7 N 1.05 4.42 -1.06 -0.34 1.11 -1.26 -3.77 116.67 116.83 1yx0 s ASP 7 Ca -0.05 -1.73 -0.30 0.00 0.18 0.00 0.00 52.55 50.64 1yx0 s ASP 7 Cb -0.15 -1.42 0.04 0.00 1.07 0.00 0.00 42.92 42.46 1yx0 s ASP 7 CO -0.03 -0.32 0.59 0.00 1.18 0.00 0.00 175.17 176.60 1yx0 n LEU 8 N 4.45 -0.14 -3.27 1.23 -0.00 -1.26 -4.92 117.00 113.09 1yx0 n LEU 8 Ca -0.04 -1.15 -0.04 0.00 -0.00 0.00 0.00 56.01 54.79 1yx0 n LEU 8 Cb 0.42 -1.39 -0.05 0.00 -0.00 0.00 0.00 43.42 42.41 1yx0 n LEU 8 CO 0.20 0.72 0.03 -0.89 -0.00 0.00 0.00 177.39 177.44 1yx0 s THR 9 N -3.68 -0.76 0.00 1.47 2.01 -1.26 -5.10 115.64 108.33 1yx0 s THR 9 Ca 0.42 -0.05 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1yx0 s THR 9 Cb -0.24 -0.90 0.00 0.00 0.01 0.00 0.00 72.50 71.38 1yx0 s THR 9 CO 0.86 -0.08 0.00 0.61 -0.69 0.00 0.00 174.62 175.31 1yx0 n GLY 10 N 5.39 3.23 0.17 4.40 0.00 -1.26 -4.77 105.19 112.34 1yx0 n GLY 10 Ca -0.02 -1.05 -0.14 0.00 0.00 0.00 0.00 46.02 44.81 1yx0 n GLY 10 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 1yx0 h ARG 11 N 0.00 -0.32 -0.35 1.61 2.43 -1.98 0.66 114.38 116.42 1yx0 h ARG 11 Ca 0.00 0.02 -0.00 0.00 -0.81 0.00 0.00 59.98 59.19 1yx0 h ARG 11 Cb 0.00 0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 29.61 1yx0 h ARG 11 CO 0.00 -0.08 0.21 0.37 -1.51 0.00 0.00 179.97 178.96 1yx0 h GLN 12 N -0.53 0.47 -0.01 0.20 4.15 -1.98 0.73 115.11 118.14 1yx0 h GLN 12 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 1yx0 h GLN 12 Cb 0.39 -0.10 0.00 0.00 0.21 0.00 0.00 27.48 27.98 1yx0 h GLN 12 CO 0.06 0.33 -0.04 0.28 -1.93 0.00 0.00 178.83 177.53 1yx0 h VAL 13 N 0.48 1.48 -0.04 2.39 2.07 -1.81 -1.94 116.25 118.89 1yx0 h VAL 13 Ca 0.13 -1.47 -0.00 0.00 0.82 0.00 0.00 66.70 66.18 1yx0 h VAL 13 Cb -0.02 2.44 -0.00 0.00 -1.52 0.00 0.00 31.29 32.19 1yx0 h VAL 13 CO -0.02 0.39 0.02 0.58 0.02 0.00 0.00 177.57 178.55 1yx0 h VAL 14 N -0.55 1.06 -0.95 2.57 2.07 0.83 -2.14 116.25 119.14 1yx0 h VAL 14 Ca -0.00 -0.16 0.15 0.00 0.82 0.00 0.00 66.70 67.51 1yx0 h VAL 14 Cb 0.65 1.10 -0.09 0.00 -1.52 0.00 0.00 31.29 31.43 1yx0 h VAL 14 CO 0.01 0.05 0.56 0.28 0.02 0.00 0.00 177.57 178.48 1yx0 h SER 15 N -0.01 0.75 -0.86 0.57 0.02 0.40 0.54 113.55 114.97 1yx0 h SER 15 Ca 0.01 0.08 0.02 0.00 -0.84 0.00 0.00 61.79 61.06 1yx0 h SER 15 Cb 0.06 -0.06 -0.05 0.00 0.14 0.00 0.00 62.40 62.49 1yx0 h SER 15 CO -0.00 0.33 0.57 0.25 -1.14 0.00 0.00 176.83 176.84 1yx0 h LEU 16 N 0.80 0.96 -0.41 5.07 6.46 -0.76 1.40 115.31 128.82 1yx0 h LEU 16 Ca 0.51 -0.02 -0.17 0.00 -0.12 0.00 0.00 57.88 58.08 1yx0 h LEU 16 Cb 0.67 -0.23 -0.02 0.00 -0.73 0.00 0.00 40.66 40.35 1yx0 h LEU 16 CO -0.33 0.67 -0.79 0.58 -0.62 0.00 0.00 178.44 177.95 1yx0 h VAL 17 N 1.12 1.54 0.01 1.05 2.07 0.20 -3.36 116.25 118.88 1yx0 h VAL 17 Ca 0.33 -2.65 -0.00 0.00 0.82 0.00 0.00 66.70 65.20 1yx0 h VAL 17 Cb -0.06 2.44 0.00 0.00 -1.52 0.00 0.00 31.29 32.15 1yx0 h VAL 17 CO -0.08 0.76 -0.00 0.78 0.02 0.00 0.00 177.57 179.04 1yx0 h ASN 18 N 0.03 -0.01 0.00 0.57 2.35 0.15 -3.47 115.58 115.20 1yx0 h ASN 18 Ca -0.01 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1yx0 h ASN 18 Cb 1.40 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.77 1yx0 h ASN 18 CO 0.11 0.01 0.00 1.21 -1.65 0.00 0.00 177.43 177.11 1yx0 n GLU 19 N -2.10 0.00 -0.09 0.81 4.07 0.46 -5.06 120.64 118.74 1yx0 n GLU 19 Ca -0.00 0.00 -0.13 0.00 -0.06 0.00 0.00 57.16 56.97 1yx0 n GLU 19 Cb 0.00 0.00 -0.05 0.00 -0.06 0.00 0.00 31.44 31.33 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 -0.06 0.00 0.00 177.13 178.65 1yx0 n HIS 20 N 0.00 0.52 0.05 4.31 -0.00 -1.00 -4.71 115.22 114.39 1yx0 n HIS 20 Ca 0.00 0.23 -0.04 0.00 0.46 0.00 0.00 57.72 58.37 1yx0 n HIS 20 Cb 0.00 -0.79 -0.02 0.00 -0.12 0.00 0.00 29.99 29.06 1yx0 n HIS 20 CO 0.00 0.00 0.00 -0.07 0.46 0.00 0.00 176.34 176.73 1yx0 h LEU 21 N -1.00 -0.19 -3.68 0.27 3.38 -1.90 -3.48 115.31 108.71 1yx0 h LEU 21 Ca -0.18 0.01 -0.48 0.00 0.09 0.00 0.00 57.88 57.32 1yx0 h LEU 21 Cb 0.98 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1yx0 h LEU 21 CO -0.11 0.28 -1.00 1.57 0.09 0.00 0.00 178.44 179.27 1yx0 n HIS 22 N -4.93 -1.94 -1.71 1.13 -0.00 -1.26 -4.62 115.22 101.89 1yx0 n HIS 22 Ca -0.03 0.65 -0.62 0.00 0.46 0.00 0.00 57.72 58.18 1yx0 n HIS 22 Cb 0.09 -2.90 -0.09 0.00 -0.12 0.00 0.00 29.99 26.98 1yx0 n HIS 22 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 1yx0 n SER 23 N -2.46 1.82 -1.10 0.26 2.88 -1.26 -4.40 113.62 109.37 1yx0 n SER 23 Ca -0.24 1.10 0.01 0.00 -1.33 0.00 0.00 58.87 58.40 1yx0 n SER 23 Cb 0.64 -1.02 -0.00 0.00 -0.75 0.00 0.00 64.21 63.08 1yx0 n SER 23 CO 0.00 0.00 0.00 0.80 -1.23 0.00 0.00 175.04 174.61 1yx0 n MET 24 N 4.95 -2.86 -1.87 -1.46 1.56 -1.26 -4.78 117.12 111.40 1yx0 n MET 24 Ca 0.30 2.22 0.00 0.00 -0.27 0.00 0.00 57.70 59.95 1yx0 n MET 24 Cb 0.04 -2.80 0.00 0.00 2.15 0.00 0.00 33.22 32.61 1yx0 n MET 24 CO 0.00 0.00 0.00 2.41 -0.73 0.00 0.00 175.97 177.65 1yx0 n THR 25 N -2.36-10.41 -4.09 1.12 -1.04 -1.26 -5.01 114.28 91.23 1yx0 n THR 25 Ca -0.00 2.95 -0.28 0.00 -2.04 0.00 0.00 64.05 64.68 1yx0 n THR 25 Cb 0.35 -4.65 -0.06 0.00 -1.82 0.00 0.00 70.33 64.15 1yx0 n THR 25 CO 0.00 0.00 0.00 -1.48 -0.64 0.00 0.00 175.07 172.95 1yx0 s LEU 26 N -0.94 3.73 0.14 -4.42 0.05 -1.26 -4.92 118.68 111.06 1yx0 s LEU 26 Ca 0.00 -0.13 0.00 0.00 0.05 0.00 0.00 54.13 54.05 1yx0 s LEU 26 Cb 0.00 -2.37 0.00 0.00 -2.05 0.00 0.00 46.19 41.77 1yx0 s LEU 26 CO 0.00 0.10 0.00 0.80 -0.55 0.00 0.00 176.35 176.70 1yx0 n MET 27 N -0.07 -2.07 -3.56 1.48 1.56 -1.26 -4.95 117.12 108.24 1yx0 n MET 27 Ca -0.09 1.55 -0.37 0.00 -0.27 0.00 0.00 57.70 58.52 1yx0 n MET 27 Cb 0.54 -1.63 -0.09 0.00 2.15 0.00 0.00 33.22 34.18 1yx0 n MET 27 CO 0.00 0.00 0.00 -1.12 -0.73 0.00 0.00 175.97 174.12 1yx0 s SER 28 N -1.17 6.19 0.98 6.12 0.01 -1.26 -5.08 113.70 119.48 1yx0 s SER 28 Ca 0.00 0.21 -0.14 0.00 1.31 0.00 0.00 55.95 57.32 1yx0 s SER 28 Cb 0.00 -2.15 0.18 0.00 0.21 0.00 0.00 66.02 64.26 1yx0 s SER 28 CO 0.00 -0.01 1.17 -2.16 0.41 0.00 0.00 173.24 172.65 1yx0 s PRO 29 N 1.33 0.56 -0.48 12.44 0.04 -1.26 -4.95 135.00 142.68 1yx0 s PRO 29 Ca 0.11 0.08 -0.28 0.00 0.04 0.00 0.00 61.00 60.94 1yx0 s PRO 29 Cb -0.14 -1.79 0.01 0.00 0.04 0.00 0.00 34.50 32.61 1yx0 s PRO 29 CO 0.07 -2.55 1.45 -1.25 0.04 0.00 0.00 177.00 174.76 1yx0 s PRO 30 N -5.43 3.40 -0.96 0.56 0.04 -1.26 -4.92 135.00 126.44 1yx0 s PRO 30 Ca 0.67 0.74 -0.24 0.00 0.04 0.00 0.00 61.00 62.21 1yx0 s PRO 30 Cb -0.12 -4.09 -0.05 0.00 0.04 0.00 0.00 34.50 30.29 1yx0 s PRO 30 CO 0.54 -1.79 1.91 -1.21 0.04 0.00 0.00 177.00 176.49 1yx0 s GLU 31 N 5.31 2.63 -0.33 4.56 2.02 -1.26 -4.66 118.70 126.97 1yx0 s GLU 31 Ca 0.59 -0.49 0.17 0.00 0.02 0.00 0.00 54.97 55.25 1yx0 s GLU 31 Cb -0.13 -5.11 0.46 0.00 0.10 0.00 0.00 34.13 29.45 1yx0 s GLU 31 CO 0.29 -3.37 0.98 -1.13 0.02 0.00 0.00 175.26 172.05 1yx0 n SER 32 N 13.63 1.80 -4.64 -0.19 3.41 -1.26 -4.67 113.62 121.70 1yx0 n SER 32 Ca 0.40 -2.76 -0.43 0.00 -0.26 0.00 0.00 58.87 55.83 1yx0 n SER 32 Cb 0.47 -0.52 -0.02 0.00 -0.26 0.00 0.00 64.21 63.88 1yx0 n SER 32 CO 0.00 0.00 0.00 -0.51 -0.16 0.00 0.00 175.04 174.37 1yx0 s ILE 33 N -3.43 4.49 -1.77 -1.33 -1.16 -1.26 -3.71 121.20 113.03 1yx0 s ILE 33 Ca 0.29 1.72 -0.18 0.00 -0.51 0.00 0.00 60.65 61.97 1yx0 s ILE 33 Cb 0.44 -4.39 0.17 0.00 0.61 0.00 0.00 42.46 39.30 1yx0 s ILE 33 CO 0.01 -0.46 0.57 1.57 -2.81 0.00 0.00 174.94 173.83 1yx0 n HIS 34 N 6.88 -1.37 -1.11 3.50 -0.00 -1.26 -4.10 115.22 117.77 1yx0 n HIS 34 Ca 0.12 0.71 0.00 0.00 -0.00 0.00 0.00 57.72 58.56 1yx0 n HIS 34 Cb 0.47 -2.39 0.00 0.00 -0.00 0.00 0.00 29.99 28.07 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 176.34 176.34 1yx0 n ALA 35 N -4.24 -2.23 -3.00 1.57 0.00 -1.24 -5.09 120.51 106.27 1yx0 n ALA 35 Ca 0.03 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.76 1yx0 n ALA 35 Cb 0.50 -1.09 0.00 0.00 0.00 0.00 0.00 19.45 18.87 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 -0.18 0.00 -2.67 0.00 7.94 -1.26 -5.01 117.00 115.81 1yx0 n LEU 36 Ca 0.00 0.00 -0.08 0.00 -1.11 0.00 0.00 56.01 54.82 1yx0 n LEU 36 Cb 0.00 0.00 0.06 0.00 0.53 0.00 0.00 43.42 44.01 1yx0 n LEU 36 CO 0.00 0.00 0.08 0.61 -1.11 0.00 0.00 177.39 176.97 1yx0 n GLY 37 N 4.58 1.45 0.48 -3.96 0.00 -1.26 -4.93 105.19 101.54 1yx0 n GLY 37 Ca 0.00 -0.92 0.34 0.00 0.00 0.00 0.00 46.02 45.44 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 2.68 0.25 -3.86 0.99 4.07 -1.99 0.76 115.31 118.22 1yx0 h LEU 38 Ca -0.16 0.09 -0.36 0.00 0.08 0.00 0.00 57.88 57.54 1yx0 h LEU 38 Cb 1.22 0.07 -0.14 0.00 1.08 0.00 0.00 40.66 42.89 1yx0 h LEU 38 CO 0.32 -0.07 0.32 -1.84 -1.08 0.00 0.00 178.44 176.09 1yx0 n GLU 39 N -4.55 1.98 0.01 1.13 0.28 -1.26 -4.16 120.64 114.07 1yx0 n GLU 39 Ca 0.33 -1.71 0.00 0.00 -0.16 0.00 0.00 57.16 55.62 1yx0 n GLU 39 Cb 1.28 -1.80 0.00 0.00 1.43 0.00 0.00 31.44 32.36 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1yx0 n LYS 40 N 0.77 0.00 -1.35 3.44 4.81 0.26 -4.82 118.16 121.28 1yx0 n LYS 40 Ca 0.36 0.00 -0.29 0.00 -0.87 0.00 0.00 58.31 57.51 1yx0 n LYS 40 Cb 0.59 -0.07 -0.07 0.00 0.02 0.00 0.00 35.03 35.50 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 -2.66 7.29 -2.45 3.14 4.32 -1.26 -3.70 117.00 121.69 1yx0 n LEU 41 Ca 0.00 -4.05 -0.02 0.00 -0.02 0.00 0.00 56.01 51.92 1yx0 n LEU 41 Cb 0.00 -1.45 0.09 0.00 -1.62 0.00 0.00 43.42 40.45 1yx0 n LEU 41 CO 0.00 1.92 0.54 0.54 -1.22 0.00 0.00 177.39 179.17 1yx0 n ARG 42 N 2.62 1.01 -3.10 3.23 1.74 -1.26 -5.11 116.66 115.78 1yx0 n ARG 42 Ca 0.62 -1.04 -0.09 0.00 -0.77 0.00 0.00 57.85 56.57 1yx0 n ARG 42 Cb 0.49 0.25 -0.02 0.00 -1.02 0.00 0.00 32.46 32.15 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yx0 n GLY 43 N -1.05 2.57 0.10 -0.13 0.00 -1.24 -5.03 105.19 100.41 1yx0 n GLY 43 Ca -0.13 -1.55 -0.15 0.00 0.00 0.00 0.00 46.02 44.19 1yx0 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yx0 h PRO 44 N 0.00 0.21 -1.71 1.61 0.13 -2.01 -3.19 132.00 127.04 1yx0 h PRO 44 Ca -0.17 -0.21 0.50 0.00 -0.87 0.00 0.00 66.00 65.26 1yx0 h PRO 44 Cb 0.74 0.05 -0.07 0.00 0.13 0.00 0.00 31.00 31.85 1yx0 h PRO 44 CO 0.23 0.91 1.22 1.05 -0.23 0.00 0.00 178.00 181.18 1yx0 h GLU 45 N -0.41 0.01 -5.50 0.86 4.11 -1.98 -3.34 114.58 108.33 1yx0 h GLU 45 Ca -0.03 -0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.81 1yx0 h GLU 45 Cb 0.99 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.14 1yx0 h GLU 45 CO 0.05 0.01 -0.29 0.42 0.07 0.00 0.00 179.01 179.27 1yx0 s ILE 46 N -4.92 5.28 -0.09 -1.06 -1.09 -1.20 -4.85 121.20 113.27 1yx0 s ILE 46 Ca -0.05 0.61 -0.01 0.00 -2.23 0.00 0.00 60.65 58.97 1yx0 s ILE 46 Cb 0.26 -3.66 -0.03 0.00 -1.58 0.00 0.00 42.46 37.45 1yx0 s ILE 46 CO 0.87 0.36 -0.05 -0.89 -1.23 0.00 0.00 174.94 174.00 1yx0 s THR 47 N 0.61 3.89 -0.13 2.92 2.01 -1.26 -4.75 115.64 118.94 1yx0 s THR 47 Ca 0.18 -0.40 0.02 0.00 0.31 0.00 0.00 61.69 61.80 1yx0 s THR 47 Cb -0.13 -2.62 -0.00 0.00 0.01 0.00 0.00 72.50 69.75 1yx0 s THR 47 CO 0.05 0.58 -0.19 -0.36 -0.69 0.00 0.00 174.62 174.01 1yx0 s PHE 48 N -0.59 2.70 -0.08 4.92 0.08 -1.25 -3.91 117.98 119.85 1yx0 s PHE 48 Ca 0.09 -1.01 -0.03 0.00 0.12 0.00 0.00 56.93 56.11 1yx0 s PHE 48 Cb -0.12 -1.81 -0.04 0.00 -0.57 0.00 0.00 43.02 40.49 1yx0 s PHE 48 CO 0.02 -0.42 0.05 -1.58 -0.10 0.00 0.00 175.22 173.19 1yx0 s TRP 49 N 0.56 3.31 0.03 0.36 0.51 0.26 -0.88 118.94 123.09 1yx0 s TRP 49 Ca -0.11 0.29 0.05 0.00 -2.12 0.00 0.00 56.10 54.21 1yx0 s TRP 49 Cb -0.16 -1.82 -0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1yx0 s TRP 49 CO 0.04 0.56 -0.15 -1.12 -0.51 0.00 0.00 176.95 175.77 1yx0 s SER 50 N -1.08 1.78 -0.09 2.95 0.01 -0.17 -0.07 113.70 117.04 1yx0 s SER 50 Ca 0.16 -0.42 0.04 0.00 1.31 0.00 0.00 55.95 57.03 1yx0 s SER 50 Cb -0.12 -0.14 -0.01 0.00 0.21 0.00 0.00 66.02 65.96 1yx0 s SER 50 CO 0.05 0.09 -0.20 0.00 0.41 0.00 0.00 173.24 173.59 1yx0 s ALA 51 N -0.71 2.37 -0.14 1.44 0.00 0.12 -1.05 121.76 123.79 1yx0 s ALA 51 Ca 0.03 -0.98 0.01 0.00 0.00 0.00 0.00 51.96 51.03 1yx0 s ALA 51 Cb -0.07 -0.90 0.00 0.00 0.00 0.00 0.00 23.12 22.15 1yx0 s ALA 51 CO 0.01 0.36 -0.18 -1.58 0.00 0.00 0.00 175.76 174.38 1yx0 s TRP 52 N 0.00 2.73 -0.46 0.00 0.52 -0.41 0.17 118.94 121.50 1yx0 s TRP 52 Ca -0.07 -1.08 0.05 0.00 0.02 0.00 0.00 56.10 55.02 1yx0 s TRP 52 Cb -0.15 -1.85 0.19 0.00 -1.15 0.00 0.00 33.47 30.52 1yx0 s TRP 52 CO 0.05 -0.48 0.43 -1.91 0.02 0.00 0.00 176.95 175.06 1yx0 n GLU 53 N 3.97 0.69 0.00 4.98 2.13 -1.19 -3.66 120.64 127.56 1yx0 n GLU 53 Ca -0.19 -3.47 0.00 0.00 0.66 0.00 0.00 57.16 54.16 1yx0 n GLU 53 Cb 0.52 -1.69 0.00 0.00 0.27 0.00 0.00 31.44 30.54 1yx0 n GLU 53 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1yx0 n GLY 54 N 2.25 0.58 1.12 8.31 0.00 -1.26 -4.36 105.19 111.82 1yx0 n GLY 54 Ca 0.26 -1.56 0.08 0.00 0.00 0.00 0.00 46.02 44.81 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 3.89 -4.10 1.61 9.92 -1.26 -4.94 116.55 121.67 1yx0 n ASP 55 Ca 0.00 -2.32 -0.16 0.00 -0.53 0.00 0.00 54.79 51.77 1yx0 n ASP 55 Cb 0.00 -0.44 -0.12 0.00 -0.64 0.00 0.00 41.12 39.91 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 -1.60 0.68 -0.06 -1.24 2.02 -1.26 -5.10 118.70 112.14 1yx0 s GLU 56 Ca 0.40 -0.75 -0.32 0.00 0.02 0.00 0.00 54.97 54.32 1yx0 s GLU 56 Cb 0.25 -0.58 -0.10 0.00 0.10 0.00 0.00 34.13 33.80 1yx0 s GLU 56 CO 0.20 0.13 1.95 1.28 0.02 0.00 0.00 175.26 178.85 1yx0 n LEU 57 N 1.66 3.67 0.29 1.80 7.99 -1.26 -3.16 117.00 127.98 1yx0 n LEU 57 Ca -0.20 0.88 0.18 0.00 -0.01 0.00 0.00 56.01 56.85 1yx0 n LEU 57 Cb 0.55 -1.44 0.78 0.00 -0.11 0.00 0.00 43.42 43.20 1yx0 n LEU 57 CO 0.22 -0.02 1.02 0.00 -1.51 0.00 0.00 177.39 177.10 1yx0 h ALA 58 N 10.25 1.02 0.00 -1.18 0.00 0.14 -3.45 119.26 126.04 1yx0 h ALA 58 Ca -0.48 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.41 1yx0 h ALA 58 Cb 1.26 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.05 1yx0 h ALA 58 CO 0.95 0.03 0.00 0.41 0.00 0.00 0.00 179.25 180.63 1yx0 n GLY 59 N -0.21 1.35 3.02 0.00 0.00 -0.73 -4.13 105.19 104.49 1yx0 n GLY 59 Ca -0.00 -1.83 -0.09 0.00 0.00 0.00 0.00 46.02 44.10 1yx0 n GLY 59 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s GLY 61 N -1.73 -0.48 0.06 0.00 0.00 0.90 -4.36 107.32 101.71 1yx0 s GLY 61 Ca -0.11 1.23 -0.20 0.00 0.00 0.00 0.00 44.72 45.63 1yx0 s GLY 61 CO -0.02 0.92 0.48 0.00 0.00 0.00 0.00 173.10 174.48 1yx0 s ALA 62 N -0.90 -1.20 -0.03 3.20 0.00 -1.23 0.90 121.76 122.50 1yx0 s ALA 62 Ca -0.09 0.43 -0.03 0.00 0.00 0.00 0.00 51.96 52.27 1yx0 s ALA 62 Cb -0.02 0.44 0.01 0.00 0.00 0.00 0.00 23.12 23.55 1yx0 s ALA 62 CO 0.07 -0.52 0.09 -0.48 0.00 0.00 0.00 175.76 174.91 1yx0 s LEU 63 N -2.13 1.65 -0.11 0.00 -0.00 -1.25 -0.06 118.68 116.79 1yx0 s LEU 63 Ca -0.04 0.17 -0.12 0.00 -0.00 0.00 0.00 54.13 54.15 1yx0 s LEU 63 Cb -0.00 0.29 -0.05 0.00 -0.00 0.00 0.00 46.19 46.43 1yx0 s LEU 63 CO -0.04 -0.03 0.27 -0.75 -0.00 0.00 0.00 176.35 175.80 1yx0 s LYS 64 N 0.08 3.91 -0.19 1.48 2.20 -0.96 -4.49 119.74 121.77 1yx0 s LYS 64 Ca -0.00 0.09 -0.31 0.00 -0.36 0.00 0.00 55.97 55.39 1yx0 s LYS 64 Cb -0.01 -3.30 -0.08 0.00 -1.51 0.00 0.00 37.83 32.93 1yx0 s LYS 64 CO -0.00 0.53 2.14 -0.85 -0.36 0.00 0.00 175.35 176.81 1yx0 n GLU 65 N 2.60 1.93 0.00 4.03 0.28 -1.26 -3.87 120.64 124.35 1yx0 n GLU 65 Ca -0.15 0.59 0.00 0.00 -0.16 0.00 0.00 57.16 57.44 1yx0 n GLU 65 Cb 0.53 -2.97 0.00 0.00 1.43 0.00 0.00 31.44 30.43 1yx0 n GLU 65 CO 0.00 0.00 0.00 -0.11 -0.16 0.00 0.00 177.13 176.86 1yx0 n LEU 66 N 10.09 0.77 0.00 -1.84 7.94 -1.17 -5.05 117.00 127.73 1yx0 n LEU 66 Ca 0.30 0.04 -0.09 0.00 -1.11 0.00 0.00 56.01 55.14 1yx0 n LEU 66 Cb 0.38 -0.11 -0.02 0.00 0.53 0.00 0.00 43.42 44.20 1yx0 n LEU 66 CO 0.69 -0.11 -0.07 0.47 -1.11 0.00 0.00 177.39 177.27 1yx0 n ASP 67 N -1.43 2.23 0.09 1.96 8.00 -0.17 -4.96 116.55 122.27 1yx0 n ASP 67 Ca 0.00 -1.66 -0.00 0.00 0.71 0.00 0.00 54.79 53.83 1yx0 n ASP 67 Cb 0.00 0.14 0.29 0.00 -0.02 0.00 0.00 41.12 41.52 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1yx0 h THR 68 N 1.10 1.25 0.00 -3.53 1.03 -2.02 -3.19 112.91 107.55 1yx0 h THR 68 Ca -0.12 -1.18 -0.01 0.00 -0.01 0.00 0.00 66.41 65.09 1yx0 h THR 68 Cb 0.38 1.44 -0.02 0.00 -1.07 0.00 0.00 68.15 68.88 1yx0 h THR 68 CO 0.20 0.36 -0.34 0.54 -0.01 0.00 0.00 175.52 176.27 1yx0 n ARG 69 N -4.14 0.57 -4.61 0.00 1.74 -1.26 -4.90 116.66 104.06 1yx0 n ARG 69 Ca -0.01 -1.77 -0.23 0.00 -0.77 0.00 0.00 57.85 55.06 1yx0 n ARG 69 Cb 0.38 -0.91 -0.14 0.00 -1.02 0.00 0.00 32.46 30.77 1yx0 n ARG 69 CO 0.00 0.00 0.00 -1.58 -1.52 0.00 0.00 177.63 174.53 1yx0 s HIS 70 N -1.26 1.53 0.36 -1.55 2.46 -1.21 0.31 115.29 115.93 1yx0 s HIS 70 Ca 0.16 -0.33 0.00 0.00 0.47 0.00 0.00 55.06 55.36 1yx0 s HIS 70 Cb 0.15 -0.93 0.00 0.00 -0.13 0.00 0.00 32.58 31.67 1yx0 s HIS 70 CO -0.00 0.04 0.47 0.20 -2.47 0.00 0.00 174.74 172.97 1yx0 s GLY 71 N -0.89 1.72 -0.08 1.59 0.00 -1.26 -1.00 107.32 107.40 1yx0 s GLY 71 Ca 0.05 -1.66 -0.31 0.00 0.00 0.00 0.00 44.72 42.81 1yx0 s GLY 71 CO 0.01 -1.09 0.77 1.85 0.00 0.00 0.00 173.10 174.65 1yx0 s GLU 72 N -2.94 0.92 -0.25 2.90 2.12 -1.25 -3.60 118.70 116.60 1yx0 s GLU 72 Ca 0.32 0.23 -0.18 0.00 0.36 0.00 0.00 54.97 55.70 1yx0 s GLU 72 Cb -0.00 0.44 -0.03 0.00 0.26 0.00 0.00 34.13 34.79 1yx0 s GLU 72 CO 0.23 -0.29 0.53 0.42 -0.54 0.00 0.00 175.26 175.62 1yx0 s ILE 73 N -1.15 5.06 -0.34 -3.70 1.09 -1.24 -2.25 121.20 118.66 1yx0 s ILE 73 Ca -0.08 0.92 0.07 0.00 -1.10 0.00 0.00 60.65 60.46 1yx0 s ILE 73 Cb -0.00 -3.84 0.45 0.00 -1.06 0.00 0.00 42.46 38.00 1yx0 s ILE 73 CO 0.07 0.09 1.16 0.29 -0.10 0.00 0.00 174.94 176.45 1yx0 n LYS 74 N 5.48 3.47 -3.20 2.79 4.76 0.92 -4.68 118.16 127.70 1yx0 n LYS 74 Ca -0.04 -4.26 0.04 0.00 -2.87 0.00 0.00 58.31 51.18 1yx0 n LYS 74 Cb 0.50 -2.24 -0.03 0.00 -1.84 0.00 0.00 35.03 31.42 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1yx0 s SER 75 N -3.58 -0.22 0.00 4.39 0.15 -1.21 -4.75 113.70 108.48 1yx0 s SER 75 Ca 0.49 0.23 0.00 0.00 0.70 0.00 0.00 55.95 57.37 1yx0 s SER 75 Cb 0.40 1.22 0.00 0.00 -1.71 0.00 0.00 66.02 65.93 1yx0 s SER 75 CO -0.05 -0.04 0.00 0.80 1.20 0.00 0.00 173.24 175.15 1yx0 n MET 76 N 4.99 0.00 -3.70 5.44 0.00 -1.26 -3.53 117.12 119.06 1yx0 n MET 76 Ca -0.08 0.00 -0.24 0.00 0.00 0.00 0.00 57.70 57.38 1yx0 n MET 76 Cb 0.55 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.59 1yx0 n MET 76 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 1yx0 s ARG 77 N 0.00 0.34 -0.10 2.12 0.52 -1.26 -5.13 118.95 115.44 1yx0 s ARG 77 Ca 0.00 -0.02 -0.22 0.00 -0.52 0.00 0.00 55.73 54.97 1yx0 s ARG 77 Cb 0.00 -1.40 0.05 0.00 0.52 0.00 0.00 34.95 34.12 1yx0 s ARG 77 CO 0.00 -0.49 0.53 0.99 0.02 0.00 0.00 175.30 176.34 1yx0 s THR 78 N 2.03 0.02 -0.04 0.02 2.01 -1.26 -4.89 115.64 113.52 1yx0 s THR 78 Ca 0.03 -0.13 0.01 0.00 0.31 0.00 0.00 61.69 61.90 1yx0 s THR 78 Cb -0.14 -0.80 0.04 0.00 0.01 0.00 0.00 72.50 71.60 1yx0 s THR 78 CO -0.06 -0.07 0.61 -0.24 -0.69 0.00 0.00 174.62 174.16 1yx0 n SER 79 N 1.70 -0.16 -4.78 3.53 2.88 -1.26 -4.84 113.62 110.69 1yx0 n SER 79 Ca -0.18 -1.13 -0.30 0.00 -1.33 0.00 0.00 58.87 55.93 1yx0 n SER 79 Cb 0.56 0.09 -0.06 0.00 -0.75 0.00 0.00 64.21 64.05 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 s ALA 80 N 0.01 3.57 -0.42 -1.46 0.00 -1.26 -4.93 121.76 117.26 1yx0 s ALA 80 Ca 0.01 -1.01 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1yx0 s ALA 80 Cb 0.04 -1.43 0.54 0.00 0.00 0.00 0.00 23.12 22.26 1yx0 s ALA 80 CO -0.01 0.75 1.69 -1.13 0.00 0.00 0.00 175.76 177.05 1yx0 n SER 81 N 0.45 4.29 -0.00 0.00 3.41 -1.26 -4.30 113.62 116.22 1yx0 n SER 81 Ca -0.09 -3.74 0.08 0.00 -0.26 0.00 0.00 58.87 54.86 1yx0 n SER 81 Cb 0.52 -0.73 -0.10 0.00 -0.26 0.00 0.00 64.21 63.64 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -0.16 0.00 0.00 175.04 176.29 1yx0 n HIS 82 N -1.04 0.00 -3.90 7.33 -0.00 -1.26 -4.97 115.22 111.38 1yx0 n HIS 82 Ca 0.49 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 58.10 1yx0 n HIS 82 Cb 1.13 -0.03 -0.10 0.00 -0.00 0.00 0.00 29.99 30.98 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 1yx0 s LEU 83 N -2.89 1.78 -0.19 2.41 1.43 -1.26 -5.14 118.68 114.81 1yx0 s LEU 83 Ca 0.05 -0.28 0.00 0.00 -1.03 0.00 0.00 54.13 52.88 1yx0 s LEU 83 Cb 0.12 0.47 0.04 0.00 0.03 0.00 0.00 46.19 46.86 1yx0 s LEU 83 CO 0.68 -0.33 -0.08 0.00 0.23 0.00 0.00 176.35 176.85 1yx0 s ARG 84 N -1.32 1.77 -0.23 1.70 3.03 -1.26 -4.90 118.95 117.73 1yx0 s ARG 84 Ca -0.14 -0.74 -0.09 0.00 2.03 0.00 0.00 55.73 56.79 1yx0 s ARG 84 Cb -0.08 -2.29 0.01 0.00 -1.03 0.00 0.00 34.95 31.56 1yx0 s ARG 84 CO 0.01 -0.45 0.20 1.63 -1.13 0.00 0.00 175.30 175.56 1yx0 n LYS 85 N 4.75 -1.86 0.11 3.89 4.01 -1.26 -4.91 118.16 122.89 1yx0 n LYS 85 Ca -0.13 1.70 0.00 0.00 -0.51 0.00 0.00 58.31 59.37 1yx0 n LYS 85 Cb 0.47 -3.19 0.00 0.00 -0.51 0.00 0.00 35.03 31.80 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1yx0 n GLY 86 N 0.63 -1.73 0.43 0.72 0.00 -1.26 -4.85 105.19 99.14 1yx0 n GLY 86 Ca 0.00 0.50 -0.17 0.00 0.00 0.00 0.00 46.02 46.35 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 0.00 -0.07 1.61 2.07 -1.91 1.26 116.25 119.21 1yx0 h VAL 87 Ca 0.00 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.36 1yx0 h VAL 87 Cb 0.00 0.00 -0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1yx0 h VAL 87 CO 0.00 0.00 -0.26 0.00 0.02 0.00 0.00 177.57 177.33 1yx0 h ALA 88 N -1.40 1.43 -0.18 1.67 0.00 -1.95 -1.24 119.26 117.58 1yx0 h ALA 88 Ca -0.11 -0.28 -0.04 0.00 0.00 0.00 0.00 54.91 54.49 1yx0 h ALA 88 Cb 0.83 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1yx0 h ALA 88 CO 0.18 0.41 -0.03 -0.22 0.00 0.00 0.00 179.25 179.59 1yx0 h LYS 89 N 0.11 0.35 0.51 0.00 3.64 -1.84 0.24 116.57 119.57 1yx0 h LYS 89 Ca 0.02 -0.13 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1yx0 h LYS 89 Cb 0.53 -0.02 0.00 0.00 -0.41 0.00 0.00 32.23 32.33 1yx0 h LYS 89 CO 0.04 0.60 -0.24 1.96 -2.27 0.00 0.00 179.45 179.53 1yx0 h GLN 90 N 0.07 -0.66 -0.27 1.90 4.20 0.20 0.55 115.11 121.10 1yx0 h GLN 90 Ca 0.05 0.04 0.04 0.00 0.06 0.00 0.00 58.65 58.84 1yx0 h GLN 90 Cb 0.46 0.15 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 1yx0 h GLN 90 CO 0.02 -0.43 0.04 0.28 -0.67 0.00 0.00 178.83 178.06 1yx0 h VAL 91 N -0.69 0.86 -0.55 -0.54 2.07 -1.25 0.21 116.25 116.36 1yx0 h VAL 91 Ca -0.07 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.46 1yx0 h VAL 91 Cb 0.53 0.71 -0.05 0.00 -1.52 0.00 0.00 31.29 30.96 1yx0 h VAL 91 CO 0.11 0.03 0.27 0.25 0.02 0.00 0.00 177.57 178.25 1yx0 h LEU 92 N 0.14 0.37 -1.30 2.57 5.85 -0.32 0.11 115.31 122.73 1yx0 h LEU 92 Ca 0.12 0.04 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 1yx0 h LEU 92 Cb 0.14 -0.03 -0.03 0.00 0.37 0.00 0.00 40.66 41.10 1yx0 h LEU 92 CO -0.17 0.25 0.39 1.56 -0.34 0.00 0.00 178.44 180.13 1yx0 h GLN 93 N 0.51 0.87 0.04 1.25 7.50 0.11 -0.91 115.11 124.49 1yx0 h GLN 93 Ca 0.25 -0.07 -0.00 0.00 0.50 0.00 0.00 58.65 59.33 1yx0 h GLN 93 Cb 0.18 -0.19 0.00 0.00 0.05 0.00 0.00 27.48 27.53 1yx0 h GLN 93 CO -0.19 0.60 -0.02 1.25 -1.50 0.00 0.00 178.83 178.98 1yx0 h HIS 94 N 0.88 -0.06 -0.49 2.96 2.76 0.11 0.54 115.15 121.86 1yx0 h HIS 94 Ca 0.23 -0.00 0.09 0.00 -2.20 0.00 0.00 60.37 58.49 1yx0 h HIS 94 Cb -0.04 0.02 -0.07 0.00 1.55 0.00 0.00 27.41 28.86 1yx0 h HIS 94 CO 0.00 0.24 0.06 0.82 -1.30 0.00 0.00 177.93 177.75 1yx0 h ILE 95 N -0.35 0.69 -0.72 6.26 5.03 -0.42 0.45 117.51 128.46 1yx0 h ILE 95 Ca -0.01 -0.06 -0.02 0.00 -0.12 0.00 0.00 64.86 64.65 1yx0 h ILE 95 Cb 0.32 0.48 -0.03 0.00 -3.03 0.00 0.00 36.82 34.55 1yx0 h ILE 95 CO 0.01 0.03 0.38 0.40 -0.68 0.00 0.00 178.15 178.30 1yx0 h ILE 96 N 0.19 1.22 0.25 -0.67 2.04 -1.05 -0.28 117.51 119.20 1yx0 h ILE 96 Ca 0.25 -0.56 -0.01 0.00 1.00 0.00 0.00 64.86 65.54 1yx0 h ILE 96 Cb 0.34 0.26 0.00 0.00 -0.74 0.00 0.00 36.82 36.68 1yx0 h ILE 96 CO -0.35 0.25 -0.12 -0.08 0.00 0.00 0.00 178.15 177.84 1yx0 h GLU 97 N 1.01 -0.32 -0.51 2.37 4.22 0.16 1.09 114.58 122.59 1yx0 h GLU 97 Ca 0.25 0.02 0.07 0.00 0.08 0.00 0.00 59.36 59.78 1yx0 h GLU 97 Cb 0.04 0.07 -0.06 0.00 0.50 0.00 0.00 28.75 29.31 1yx0 h GLU 97 CO -0.04 -0.10 0.20 0.93 -2.18 0.00 0.00 179.01 177.82 1yx0 h GLU 98 N -0.50 0.38 -0.02 1.92 3.07 0.06 1.04 114.58 120.53 1yx0 h GLU 98 Ca -0.03 -0.02 -0.11 0.00 -0.50 0.00 0.00 59.36 58.69 1yx0 h GLU 98 Cb 0.37 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.18 1yx0 h GLU 98 CO 0.06 0.25 -0.51 0.00 -1.40 0.00 0.00 179.01 177.40 1yx0 h ALA 99 N 1.33 1.11 -0.28 3.43 0.00 -0.93 0.31 119.26 124.24 1yx0 h ALA 99 Ca 0.24 -0.47 -0.19 0.00 0.00 0.00 0.00 54.91 54.49 1yx0 h ALA 99 Cb 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 1yx0 h ALA 99 CO -0.23 0.65 -0.57 0.93 0.00 0.00 0.00 179.25 180.03 1yx0 h GLU 100 N 0.04 0.88 0.00 0.00 4.39 0.32 0.29 114.58 120.50 1yx0 h GLU 100 Ca -0.00 -0.57 -0.14 0.00 0.34 0.00 0.00 59.36 58.99 1yx0 h GLU 100 Cb 0.93 0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.63 1yx0 h GLU 100 CO 0.07 1.20 -0.66 1.57 -1.16 0.00 0.00 179.01 180.04 1yx0 h LYS 101 N 0.67 0.00 0.03 2.33 2.10 0.12 -3.18 116.57 118.63 1yx0 h LYS 101 Ca 0.01 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.47 1yx0 h LYS 101 Cb 1.18 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.53 1yx0 h LYS 101 CO 0.13 0.66 -0.77 -0.09 -2.00 0.00 0.00 179.45 177.38 1yx0 h ARG 102 N 0.00 0.47 -0.43 0.07 1.12 -0.80 -3.49 114.38 111.33 1yx0 h ARG 102 Ca -0.01 -0.54 0.00 0.00 -1.11 0.00 0.00 59.98 58.32 1yx0 h ARG 102 Cb 1.21 0.16 0.00 0.00 -0.01 0.00 0.00 29.97 31.34 1yx0 h ARG 102 CO 0.09 1.19 0.00 0.41 -3.11 0.00 0.00 179.97 178.54 1yx0 n GLY 103 N 1.17 0.58 1.25 2.80 0.00 0.94 -5.07 105.19 106.85 1yx0 n GLY 103 Ca -0.11 -0.23 -0.10 0.00 0.00 0.00 0.00 46.02 45.58 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 -0.22 -3.60 -0.05 1.61 4.01 -0.71 -4.88 117.16 113.33 1yx0 n TYR 104 Ca 0.00 -0.37 -0.06 0.00 -0.16 0.00 0.00 57.90 57.32 1yx0 n TYR 104 Cb 0.10 -0.37 -0.06 0.00 -0.31 0.00 0.00 39.34 38.70 1yx0 n TYR 104 CO 0.00 0.00 0.00 0.39 -0.46 0.00 0.00 176.86 176.79 1yx0 n GLU 105 N -2.36 1.56 -3.46 -0.72 1.02 0.15 -4.96 120.64 111.87 1yx0 n GLU 105 Ca 0.05 0.03 -0.11 0.00 -0.02 0.00 0.00 57.16 57.11 1yx0 n GLU 105 Cb 0.20 -1.21 -0.02 0.00 -0.02 0.00 0.00 31.44 30.38 1yx0 n GLU 105 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1yx0 s ARG 106 N -2.20 1.07 -0.20 3.49 3.03 -1.25 -4.03 118.95 118.86 1yx0 s ARG 106 Ca -0.09 -0.33 -0.01 0.00 2.03 0.00 0.00 55.73 57.33 1yx0 s ARG 106 Cb 0.03 0.49 0.01 0.00 -1.03 0.00 0.00 34.95 34.45 1yx0 s ARG 106 CO 0.29 -0.45 -0.13 -0.51 -1.13 0.00 0.00 175.30 173.37 1yx0 s LEU 107 N -2.48 2.47 0.40 -1.89 1.43 -1.18 -4.01 118.68 113.42 1yx0 s LEU 107 Ca 0.02 -0.53 0.08 0.00 -1.03 0.00 0.00 54.13 52.66 1yx0 s LEU 107 Cb -0.01 -1.59 0.00 0.00 0.03 0.00 0.00 46.19 44.62 1yx0 s LEU 107 CO -0.09 -0.01 0.52 -0.94 0.23 0.00 0.00 176.35 176.06 1yx0 s SER 108 N 1.36 5.62 0.27 2.29 1.04 -1.24 -2.01 113.70 121.03 1yx0 s SER 108 Ca 0.05 -0.43 -0.18 0.00 0.48 0.00 0.00 55.95 55.88 1yx0 s SER 108 Cb -0.14 -0.76 0.01 0.00 0.10 0.00 0.00 66.02 65.24 1yx0 s SER 108 CO -0.08 -0.68 0.63 -1.48 0.98 0.00 0.00 173.24 172.61 1yx0 s LEU 109 N -4.28 -0.04 -0.37 2.42 0.05 -1.26 -3.62 118.68 111.59 1yx0 s LEU 109 Ca 0.52 -0.73 -0.10 0.00 0.05 0.00 0.00 54.13 53.86 1yx0 s LEU 109 Cb -0.09 2.36 0.03 0.00 -2.05 0.00 0.00 46.19 46.44 1yx0 s LEU 109 CO 0.32 -1.27 0.19 -1.83 -0.55 0.00 0.00 176.35 173.21 1yx0 s GLU 110 N -3.96 2.77 -0.09 1.48 -1.05 -1.26 -4.03 118.70 112.56 1yx0 s GLU 110 Ca 0.15 -1.12 -0.04 0.00 -0.15 0.00 0.00 54.97 53.81 1yx0 s GLU 110 Cb -0.04 -3.69 0.05 0.00 -0.44 0.00 0.00 34.13 30.01 1yx0 s GLU 110 CO 0.08 -0.71 0.18 0.95 0.95 0.00 0.00 175.26 176.71 1yx0 s THR 111 N 1.52 -0.22 -0.35 1.83 -4.23 -1.26 -4.86 115.64 108.08 1yx0 s THR 111 Ca 0.01 0.28 0.15 0.00 -1.18 0.00 0.00 61.69 60.96 1yx0 s THR 111 Cb -0.19 -0.31 0.42 0.00 1.34 0.00 0.00 72.50 73.75 1yx0 s THR 111 CO 0.06 0.12 0.93 0.61 -0.54 0.00 0.00 174.62 175.80 1yx0 n GLY 112 N 4.96 2.03 4.15 3.99 0.00 -1.26 -4.28 105.19 114.79 1yx0 n GLY 112 Ca -0.12 -1.25 -0.35 0.00 0.00 0.00 0.00 46.02 44.30 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 0.00 -1.11 -4.66 1.61 3.41 -1.26 -4.85 113.62 106.77 1yx0 n SER 113 Ca 0.12 -1.23 -0.35 0.00 -0.26 0.00 0.00 58.87 57.16 1yx0 n SER 113 Cb 0.77 -1.95 -0.10 0.00 -0.26 0.00 0.00 64.21 62.68 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 -7.19 3.51 0.19 4.33 1.00 -1.26 -4.99 119.30 114.89 1yx0 s MET 114 Ca 0.17 -0.37 -0.12 0.00 0.00 0.00 0.00 55.69 55.38 1yx0 s MET 114 Cb -0.09 -3.01 0.22 0.00 0.00 0.00 0.00 34.83 31.95 1yx0 s MET 114 CO 0.97 0.48 1.72 0.00 0.00 0.00 0.00 175.02 178.19 1yx0 h ALA 115 N 5.94 0.64 -0.28 3.03 0.00 -1.97 1.25 119.26 127.87 1yx0 h ALA 115 Ca -0.43 0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.66 1yx0 h ALA 115 Cb 1.19 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 19.08 1yx0 h ALA 115 CO 0.62 -0.27 0.23 0.66 0.00 0.00 0.00 179.25 180.49 1yx0 h SER 116 N 0.29 0.00 -0.63 0.00 4.64 -1.95 -1.49 113.55 114.42 1yx0 h SER 116 Ca 0.27 0.00 -0.44 0.00 -0.47 0.00 0.00 61.79 61.15 1yx0 h SER 116 Cb 0.36 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.05 1yx0 h SER 116 CO -0.32 0.00 -0.88 0.49 -0.87 0.00 0.00 176.83 175.25 1yx0 n PHE 117 N -4.22 2.22 -0.04 4.77 3.72 0.14 -4.80 117.46 119.25 1yx0 n PHE 117 Ca 0.04 -2.14 -0.13 0.00 -0.05 0.00 0.00 57.45 55.17 1yx0 n PHE 117 Cb 0.39 -0.31 -0.11 0.00 -0.94 0.00 0.00 39.48 38.51 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 1yx0 h GLU 118 N 2.20 -0.01 0.00 -1.08 5.08 0.24 -3.09 114.58 117.92 1yx0 h GLU 118 Ca 0.22 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.47 1yx0 h GLU 118 Cb 1.46 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.69 1yx0 h GLU 118 CO 0.58 0.71 -0.54 -1.00 -1.00 0.00 0.00 179.01 177.76 1yx0 h PRO 119 N -0.76 0.00 -1.01 2.33 0.13 -1.85 -3.01 132.00 127.83 1yx0 h PRO 119 Ca -0.00 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 65.14 1yx0 h PRO 119 Cb 0.73 0.00 -0.05 0.00 0.13 0.00 0.00 31.00 31.81 1yx0 h PRO 119 CO 0.00 0.54 0.67 0.00 -0.23 0.00 0.00 178.00 178.98 1yx0 h ALA 120 N 1.46 1.29 -0.13 -0.56 0.00 -1.88 1.04 119.26 120.48 1yx0 h ALA 120 Ca -0.01 -0.07 -0.16 0.00 0.00 0.00 0.00 54.91 54.68 1yx0 h ALA 120 Cb 1.17 -0.40 -0.01 0.00 0.00 0.00 0.00 17.79 18.55 1yx0 h ALA 120 CO 0.07 0.65 -0.60 -0.09 0.00 0.00 0.00 179.25 179.28 1yx0 h ARG 121 N 1.35 0.45 0.00 0.00 2.43 -1.46 -0.55 114.38 116.60 1yx0 h ARG 121 Ca 0.38 -0.30 -0.13 0.00 -0.81 0.00 0.00 59.98 59.11 1yx0 h ARG 121 Cb -0.13 0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.45 1yx0 h ARG 121 CO -0.09 0.91 -0.62 0.87 -1.51 0.00 0.00 179.97 179.53 1yx0 h LYS 122 N 0.33 0.00 -0.03 0.20 1.57 -1.16 -2.35 116.57 115.13 1yx0 h LYS 122 Ca -0.00 0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.53 1yx0 h LYS 122 Cb 1.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 33.46 1yx0 h LYS 122 CO 0.11 0.62 -0.97 1.25 -0.57 0.00 0.00 179.45 179.89 1yx0 h LEU 123 N 0.00 0.83 0.17 2.94 7.12 0.13 -2.13 115.31 124.36 1yx0 h LEU 123 Ca -0.01 -0.64 -0.01 0.00 0.13 0.00 0.00 57.88 57.36 1yx0 h LEU 123 Cb 1.24 -0.25 0.00 0.00 -0.53 0.00 0.00 40.66 41.12 1yx0 h LEU 123 CO 0.08 1.44 -0.08 1.88 -0.13 0.00 0.00 178.44 181.63 1yx0 h TYR 124 N 0.38 -0.21 0.00 1.25 0.99 -1.02 -2.64 116.97 115.72 1yx0 h TYR 124 Ca -0.10 -0.00 -0.02 0.00 2.00 0.00 0.00 58.73 60.60 1yx0 h TYR 124 Cb 1.61 0.07 -0.00 0.00 1.00 0.00 0.00 36.73 39.40 1yx0 h TYR 124 CO 0.09 0.02 -0.11 1.05 -0.00 0.00 0.00 178.16 179.20 1yx0 h GLU 125 N -0.40 0.00 0.00 4.88 -0.00 -1.50 -0.11 114.58 117.44 1yx0 h GLU 125 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 59.36 59.34 1yx0 h GLU 125 Cb 0.32 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.07 1yx0 h GLU 125 CO 0.04 0.11 0.00 0.43 -0.00 0.00 0.00 179.01 179.59 1yx0 n SER 126 N -4.12 0.51 0.00 3.06 7.64 -0.80 -0.55 113.62 119.35 1yx0 n SER 126 Ca -0.02 0.70 0.11 0.00 1.01 0.00 0.00 58.87 60.66 1yx0 n SER 126 Cb 0.20 -0.78 -0.13 0.00 -1.01 0.00 0.00 64.21 62.48 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -3.01 0.00 0.00 175.04 172.36 1yx0 n PHE 127 N -2.14 0.08 0.00 1.43 -0.00 -0.07 -4.97 117.46 111.79 1yx0 n PHE 127 Ca -0.00 0.02 0.00 0.00 -0.00 0.00 0.00 57.45 57.47 1yx0 n PHE 127 Cb 0.08 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.15 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 1.24 2.60 7.13 0.00 0.28 -5.10 105.19 112.65 1yx0 n GLY 128 Ca -0.02 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 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 0.38 -3.99 1.61 3.01 -1.16 -4.90 117.46 112.40 1yx0 n PHE 129 Ca 0.00 0.78 -0.32 0.00 1.01 0.00 0.00 57.45 58.92 1yx0 n PHE 129 Cb 0.00 -1.55 -0.06 0.00 -0.01 0.00 0.00 39.48 37.87 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 1.01 0.00 0.00 176.76 177.12 1yx0 s GLN 130 N -0.09 3.22 -1.19 -1.08 -0.21 -0.52 -4.29 119.66 115.50 1yx0 s GLN 130 Ca 0.65 -0.46 -0.20 0.00 0.02 0.00 0.00 55.36 55.37 1yx0 s GLN 130 Cb -0.92 -2.95 0.06 0.00 1.00 0.00 0.00 33.01 30.21 1yx0 s GLN 130 CO 0.42 0.63 1.65 0.71 -2.12 0.00 0.00 175.29 176.59 1yx0 s TYR 131 N -1.33 2.65 0.09 0.91 1.51 -1.26 -0.04 117.35 119.88 1yx0 s TYR 131 Ca 0.28 -1.26 -0.16 0.00 -1.01 0.00 0.00 57.07 54.91 1yx0 s TYR 131 Cb -0.12 -4.71 0.03 0.00 -0.11 0.00 0.00 41.96 37.05 1yx0 s TYR 131 CO 0.20 -1.84 0.39 0.00 -1.11 0.00 0.00 175.55 173.19 1yx0 n GLU 133 N 0.09 -4.38 -1.52 0.00 2.13 -1.26 -1.91 120.64 113.78 1yx0 n GLU 133 Ca -0.17 3.14 -0.30 0.00 0.66 0.00 0.00 57.16 60.49 1yx0 n GLU 133 Cb 0.62 -3.81 0.21 0.00 0.27 0.00 0.00 31.44 28.73 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1yx0 s PRO 134 N -0.46 -0.24 0.00 5.31 0.04 -1.26 -2.24 135.00 136.14 1yx0 s PRO 134 Ca 0.00 -0.23 0.00 0.00 0.04 0.00 0.00 61.00 60.81 1yx0 s PRO 134 Cb 0.00 -1.73 0.00 0.00 0.04 0.00 0.00 34.50 32.81 1yx0 s PRO 134 CO 0.00 -3.03 0.00 1.19 0.04 0.00 0.00 177.00 175.20 1yx0 n PHE 135 N -4.24 -0.06 -1.14 0.56 3.72 -1.26 -4.86 117.46 110.18 1yx0 n PHE 135 Ca 0.14 0.00 -0.38 0.00 -0.05 0.00 0.00 57.45 57.16 1yx0 n PHE 135 Cb 0.59 0.01 0.02 0.00 -0.94 0.00 0.00 39.48 39.17 1yx0 n PHE 135 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1yx0 n ALA 136 N -0.92 -4.13 -0.33 4.37 0.00 -1.26 -4.69 120.51 113.55 1yx0 n ALA 136 Ca 0.00 -0.33 0.19 0.00 0.00 0.00 0.00 53.44 53.31 1yx0 n ALA 136 Cb 0.00 -1.29 0.37 0.00 0.00 0.00 0.00 19.45 18.53 1yx0 n ALA 136 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.50 177.72 1yx0 h ASP 137 N -0.44 -0.22 -3.08 0.00 3.58 -1.95 -3.39 116.42 110.91 1yx0 h ASP 137 Ca -0.42 0.27 -0.40 0.00 0.42 0.00 0.00 57.03 56.89 1yx0 h ASP 137 Cb 1.38 0.41 0.22 0.00 1.72 0.00 0.00 39.33 43.06 1yx0 h ASP 137 CO 0.34 -0.36 -0.08 -0.31 -2.88 0.00 0.00 179.24 175.94 1yx0 s TYR 138 N -5.87 0.07 0.00 0.28 1.51 -1.26 -5.07 117.35 107.01 1yx0 s TYR 138 Ca -0.12 0.80 0.00 0.00 -1.01 0.00 0.00 57.07 56.74 1yx0 s TYR 138 Cb 0.30 -2.95 0.00 0.00 -0.11 0.00 0.00 41.96 39.20 1yx0 s TYR 138 CO 0.78 -4.65 0.00 0.41 -1.11 0.00 0.00 175.55 170.98 1yx0 n GLY 139 N 1.27 4.65 3.68 0.71 0.00 -1.26 -4.72 105.19 109.52 1yx0 n GLY 139 Ca 0.09 -2.10 -0.35 0.00 0.00 0.00 0.00 46.02 43.66 1yx0 n GLY 139 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1yx0 n GLU 140 N 0.00 0.51 0.00 1.61 1.02 -1.26 -4.86 120.64 117.67 1yx0 n GLU 140 Ca 0.00 0.24 0.00 0.00 -0.02 0.00 0.00 57.16 57.38 1yx0 n GLU 140 Cb 0.00 -2.42 0.00 0.00 -0.02 0.00 0.00 31.44 29.00 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1yx0 n ASP 141 N -2.53 0.00 0.00 1.62 8.00 -1.26 -4.96 116.55 117.43 1yx0 n ASP 141 Ca 0.14 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.76 1yx0 n ASP 141 Cb 0.49 0.00 0.69 0.00 -0.02 0.00 0.00 41.12 42.28 1yx0 n ASP 141 CO 0.00 0.00 0.00 -0.81 -0.39 0.00 0.00 177.20 176.00 1yx0 n PRO 142 N -0.84 0.75 -2.98 -0.24 -0.04 -1.26 -3.36 135.00 127.02 1yx0 n PRO 142 Ca 0.00 0.00 -0.22 0.00 -0.04 0.00 0.00 63.50 63.24 1yx0 n PRO 142 Cb 0.00 -1.49 -0.03 0.00 -0.04 0.00 0.00 33.50 31.95 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 -0.99 2.87 -3.11 3.54 3.02 -1.26 -5.06 115.26 114.27 1yx0 n ASN 143 Ca 0.17 -3.36 -0.13 0.00 -0.03 0.00 0.00 54.58 51.23 1yx0 n ASN 143 Cb 0.08 -0.57 -0.02 0.00 -0.61 0.00 0.00 39.78 38.66 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1yx0 s SER 144 N -3.05 0.68 0.34 6.41 0.15 -1.21 -5.03 113.70 111.99 1yx0 s SER 144 Ca 0.44 -1.40 0.07 0.00 0.70 0.00 0.00 55.95 55.76 1yx0 s SER 144 Cb 0.33 0.73 -0.03 0.00 -1.71 0.00 0.00 66.02 65.34 1yx0 s SER 144 CO -0.11 -1.43 0.30 0.68 1.20 0.00 0.00 173.24 173.88 1yx0 s VAL 145 N -2.78 0.00 0.18 4.45 -7.23 -1.26 -4.96 120.40 108.79 1yx0 s VAL 145 Ca 0.26 -1.98 -0.17 0.00 -1.81 0.00 0.00 61.98 58.28 1yx0 s VAL 145 Cb -0.02 -2.51 0.03 0.00 0.56 0.00 0.00 36.38 34.44 1yx0 s VAL 145 CO 0.18 0.00 0.49 -0.36 -0.31 0.00 0.00 175.10 175.09 1yx0 s PHE 146 N -3.36 -0.11 -0.28 2.82 0.40 -1.26 -4.66 117.98 111.54 1yx0 s PHE 146 Ca 0.40 -0.23 -0.15 0.00 -0.60 0.00 0.00 56.93 56.35 1yx0 s PHE 146 Cb 0.02 0.34 0.08 0.00 0.51 0.00 0.00 43.02 43.97 1yx0 s PHE 146 CO 0.29 -0.86 0.67 1.41 0.70 0.00 0.00 175.22 177.43 1yx0 s MET 147 N -3.86 0.68 0.02 0.44 1.75 -0.80 -3.52 119.30 114.01 1yx0 s MET 147 Ca 0.08 1.23 0.00 0.00 -1.25 0.00 0.00 55.69 55.75 1yx0 s MET 147 Cb -0.00 0.19 -0.02 0.00 2.84 0.00 0.00 34.83 37.84 1yx0 s MET 147 CO -0.05 -0.15 -0.04 -0.08 -0.65 0.00 0.00 175.02 174.05 1yx0 s THR 148 N 1.73 0.18 0.08 10.11 -1.32 0.94 -4.29 115.64 123.07 1yx0 s THR 148 Ca -0.10 -0.85 0.10 0.00 -1.21 0.00 0.00 61.69 59.63 1yx0 s THR 148 Cb -0.06 -0.30 -0.03 0.00 -1.51 0.00 0.00 72.50 70.60 1yx0 s THR 148 CO -0.20 -0.43 -0.26 -0.75 -2.21 0.00 0.00 174.62 170.78 1yx0 s LYS 149 N -1.33 1.61 -0.19 7.08 2.36 -0.85 -1.43 119.74 126.98 1yx0 s LYS 149 Ca -0.13 -1.18 -0.02 0.00 -2.55 0.00 0.00 55.97 52.09 1yx0 s LYS 149 Cb -0.09 -1.89 -0.00 0.00 -1.05 0.00 0.00 37.83 34.79 1yx0 s LYS 149 CO -0.01 0.47 -0.10 0.21 1.55 0.00 0.00 175.35 177.48 1yx0 s LYS 150 N -1.53 3.29 0.00 4.03 2.20 -1.26 -3.09 119.74 123.37 1yx0 s LYS 150 Ca 0.12 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 55.04 1yx0 s LYS 150 Cb -0.10 -2.81 0.00 0.00 -1.51 0.00 0.00 37.83 33.41 1yx0 s LYS 150 CO 0.03 -0.10 0.42 1.28 -0.36 0.00 0.00 175.35 176.63