#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 -0.04 2.03 0.09 -1.25 -5.08 115.29 109.81 1yx0 s HIS 2 Ca 0.00 1.17 0.07 0.00 -0.00 0.00 0.00 55.06 56.30 1yx0 s HIS 2 Cb 0.00 0.38 -0.01 0.00 -0.00 0.00 0.00 32.58 32.95 1yx0 s HIS 2 CO 0.00 -0.69 -0.25 0.42 -0.00 0.00 0.00 174.74 174.22 1yx0 s ILE 3 N 2.89 2.05 0.31 0.60 -1.09 -1.26 -1.10 121.20 123.60 1yx0 s ILE 3 Ca 0.13 -1.08 -0.06 0.00 -2.23 0.00 0.00 60.65 57.41 1yx0 s ILE 3 Cb -0.12 -1.72 0.00 0.00 -1.58 0.00 0.00 42.46 39.05 1yx0 s ILE 3 CO -0.19 0.57 0.47 -0.54 -1.23 0.00 0.00 174.94 174.03 1yx0 s LYS 4 N -0.37 1.79 -0.06 2.79 1.02 -0.41 -5.00 119.74 119.49 1yx0 s LYS 4 Ca 0.03 -1.59 0.00 0.00 0.02 0.00 0.00 55.97 54.43 1yx0 s LYS 4 Cb -0.12 0.45 -0.03 0.00 -0.52 0.00 0.00 37.83 37.61 1yx0 s LYS 4 CO 0.01 -0.74 -0.04 0.42 -0.92 0.00 0.00 175.35 174.08 1yx0 s ILE 5 N -3.34 3.90 -0.17 2.17 1.01 -1.26 0.68 121.20 124.18 1yx0 s ILE 5 Ca 0.28 -0.45 0.01 0.00 0.00 0.00 0.00 60.65 60.49 1yx0 s ILE 5 Cb -0.00 -2.62 0.01 0.00 0.01 0.00 0.00 42.46 39.86 1yx0 s ILE 5 CO 0.16 0.57 -0.19 -0.62 0.00 0.00 0.00 174.94 174.86 1yx0 s ASP 6 N -0.93 3.27 -0.31 3.58 3.68 -0.36 -4.82 116.67 120.78 1yx0 s ASP 6 Ca 0.13 -0.60 0.02 0.00 2.13 0.00 0.00 52.55 54.24 1yx0 s ASP 6 Cb -0.11 -1.50 0.09 0.00 -1.45 0.00 0.00 42.92 39.95 1yx0 s ASP 6 CO 0.03 0.03 0.04 -1.81 0.13 0.00 0.00 175.17 173.59 1yx0 s ASP 7 N 1.12 4.38 -0.07 -0.34 1.11 -1.26 -4.17 116.67 117.43 1yx0 s ASP 7 Ca 0.01 -1.81 -0.06 0.00 0.18 0.00 0.00 52.55 50.86 1yx0 s ASP 7 Cb -0.14 -1.31 0.01 0.00 1.07 0.00 0.00 42.92 42.55 1yx0 s ASP 7 CO -0.08 -0.36 0.10 0.00 1.18 0.00 0.00 175.17 176.01 1yx0 n LEU 8 N 4.51 -2.94 0.00 1.23 -0.00 -1.26 -4.80 117.00 113.74 1yx0 n LEU 8 Ca -0.01 0.26 0.00 0.00 -0.00 0.00 0.00 56.01 56.26 1yx0 n LEU 8 Cb 0.42 -1.37 0.00 0.00 -0.00 0.00 0.00 43.42 42.47 1yx0 n LEU 8 CO 0.18 -1.01 0.00 0.41 -0.00 0.00 0.00 177.39 176.97 1yx0 n THR 9 N 0.95 0.00 -3.17 1.47 -1.04 -1.26 -5.02 114.28 106.20 1yx0 n THR 9 Ca -0.01 0.00 -0.37 0.00 -2.04 0.00 0.00 64.05 61.62 1yx0 n THR 9 Cb 0.47 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.95 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 -0.55 5.02 0.46 3.41 0.00 -1.26 -4.85 105.19 107.42 1yx0 n GLY 10 Ca 0.00 -2.70 0.28 0.00 0.00 0.00 0.00 46.02 43.60 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 5.02 0.21 -0.27 1.61 0.11 -1.97 1.07 114.38 120.17 1yx0 h ARG 11 Ca 0.20 -0.01 -0.13 0.00 0.10 0.00 0.00 59.98 60.14 1yx0 h ARG 11 Cb 0.64 -0.05 -0.01 0.00 1.11 0.00 0.00 29.97 31.66 1yx0 h ARG 11 CO 1.15 0.14 -0.36 1.96 0.10 0.00 0.00 179.97 182.96 1yx0 h GLN 12 N 0.21 0.60 0.03 0.08 4.20 -1.98 0.79 115.11 119.05 1yx0 h GLN 12 Ca 0.57 -0.29 -0.00 0.00 0.06 0.00 0.00 58.65 59.00 1yx0 h GLN 12 Cb 1.82 -0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.59 1yx0 h GLN 12 CO -0.17 0.87 -0.02 0.28 -0.67 0.00 0.00 178.83 179.12 1yx0 h VAL 13 N 0.50 1.39 -0.06 -0.54 2.07 0.55 -3.23 116.25 116.93 1yx0 h VAL 13 Ca 0.05 -1.66 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 1yx0 h VAL 13 Cb 0.85 2.45 -0.01 0.00 -1.52 0.00 0.00 31.29 33.07 1yx0 h VAL 13 CO 0.07 0.40 -0.19 0.58 0.02 0.00 0.00 177.57 178.46 1yx0 h VAL 14 N -0.81 1.17 -0.95 2.57 2.07 -0.26 -1.96 116.25 118.09 1yx0 h VAL 14 Ca -0.00 -0.77 0.24 0.00 0.82 0.00 0.00 66.70 66.99 1yx0 h VAL 14 Cb 0.70 1.33 -0.06 0.00 -1.52 0.00 0.00 31.29 31.74 1yx0 h VAL 14 CO 0.01 0.23 0.64 0.28 0.02 0.00 0.00 177.57 178.75 1yx0 h SER 15 N 0.09 0.27 -0.22 0.57 0.02 0.59 1.06 113.55 115.93 1yx0 h SER 15 Ca 0.02 0.04 -0.04 0.00 -0.84 0.00 0.00 61.79 60.97 1yx0 h SER 15 Cb 0.39 -0.01 -0.02 0.00 0.14 0.00 0.00 62.40 62.90 1yx0 h SER 15 CO 0.03 0.09 0.04 -0.07 -1.14 0.00 0.00 176.83 175.77 1yx0 h LEU 16 N 0.26 0.42 0.03 5.07 -0.00 -1.42 0.16 115.31 119.84 1yx0 h LEU 16 Ca 0.49 -0.06 -0.24 0.00 -0.00 0.00 0.00 57.88 58.07 1yx0 h LEU 16 Cb 1.47 -0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 42.00 1yx0 h LEU 16 CO -0.14 0.46 -1.17 0.58 -0.00 0.00 0.00 178.44 178.17 1yx0 h VAL 17 N 0.45 1.53 0.00 1.22 2.07 0.89 -3.08 116.25 119.33 1yx0 h VAL 17 Ca 0.10 -3.23 0.00 0.00 0.82 0.00 0.00 66.70 64.39 1yx0 h VAL 17 Cb 0.23 2.80 0.00 0.00 -1.52 0.00 0.00 31.29 32.80 1yx0 h VAL 17 CO 0.00 0.89 0.00 0.59 0.02 0.00 0.00 177.57 179.07 1yx0 n ASN 18 N -3.35 0.00 -1.85 0.57 3.02 0.42 -4.89 115.26 109.18 1yx0 n ASN 18 Ca -0.05 -0.81 -0.00 0.00 -0.03 0.00 0.00 54.58 53.69 1yx0 n ASN 18 Cb 0.98 -0.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.11 1yx0 n ASN 18 CO 0.00 0.00 0.00 1.21 -2.62 0.00 0.00 177.26 175.85 1yx0 n GLU 19 N -1.03 -0.30 -0.05 3.52 2.13 -0.18 -5.01 120.64 119.72 1yx0 n GLU 19 Ca 0.21 0.69 -0.22 0.00 0.66 0.00 0.00 57.16 58.50 1yx0 n GLU 19 Cb 0.11 -2.44 -0.13 0.00 0.27 0.00 0.00 31.44 29.25 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 -0.41 0.00 0.00 177.13 178.30 1yx0 n HIS 20 N -1.21 0.94 0.06 4.31 -0.00 0.40 -4.56 115.22 115.16 1yx0 n HIS 20 Ca -0.00 0.24 -0.04 0.00 -0.00 0.00 0.00 57.72 57.92 1yx0 n HIS 20 Cb 0.50 -1.12 -0.02 0.00 -0.00 0.00 0.00 29.99 29.36 1yx0 n HIS 20 CO 0.00 0.00 0.00 1.25 -0.00 0.00 0.00 176.34 177.59 1yx0 h LEU 21 N -0.21 -0.21 0.00 0.27 5.85 -1.87 -3.51 115.31 115.63 1yx0 h LEU 21 Ca -0.45 0.01 0.00 0.00 0.84 0.00 0.00 57.88 58.27 1yx0 h LEU 21 Cb 1.85 0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.93 1yx0 h LEU 21 CO -0.03 0.20 0.00 1.41 -0.34 0.00 0.00 178.44 179.68 1yx0 n HIS 22 N -4.67 0.00 -3.78 1.25 8.25 -1.26 -5.18 115.22 109.83 1yx0 n HIS 22 Ca -0.03 0.00 0.03 0.00 -0.26 0.00 0.00 57.72 57.45 1yx0 n HIS 22 Cb 0.10 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.21 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 1yx0 s SER 23 N 0.00 -0.02 0.07 0.41 1.04 -1.26 -4.90 113.70 109.04 1yx0 s SER 23 Ca 0.00 -0.14 -0.37 0.00 0.48 0.00 0.00 55.95 55.92 1yx0 s SER 23 Cb 0.00 0.12 -0.18 0.00 0.10 0.00 0.00 66.02 66.06 1yx0 s SER 23 CO 0.00 -0.23 1.18 0.80 0.98 0.00 0.00 173.24 175.96 1yx0 n MET 24 N -0.69 0.65 -2.54 4.02 1.56 -1.26 -4.86 117.12 114.00 1yx0 n MET 24 Ca -0.03 0.23 -0.43 0.00 -0.27 0.00 0.00 57.70 57.21 1yx0 n MET 24 Cb 0.61 -1.78 -0.02 0.00 2.15 0.00 0.00 33.22 34.18 1yx0 n MET 24 CO 0.00 0.00 0.00 -0.08 -0.73 0.00 0.00 175.97 175.16 1yx0 s THR 25 N 0.15 4.47 0.01 1.12 -1.32 -1.26 -5.02 115.64 113.79 1yx0 s THR 25 Ca 0.85 1.77 0.04 0.00 -1.21 0.00 0.00 61.69 63.13 1yx0 s THR 25 Cb -1.07 -4.14 -0.03 0.00 -1.51 0.00 0.00 72.50 65.75 1yx0 s THR 25 CO 0.52 -0.07 -0.07 -0.76 -2.21 0.00 0.00 174.62 172.03 1yx0 s LEU 26 N 2.65 3.16 0.06 9.08 1.43 -1.26 -5.02 118.68 128.78 1yx0 s LEU 26 Ca 0.51 -0.17 0.00 0.00 -1.03 0.00 0.00 54.13 53.45 1yx0 s LEU 26 Cb -0.21 -1.82 0.00 0.00 0.03 0.00 0.00 46.19 44.19 1yx0 s LEU 26 CO 0.16 0.27 0.00 0.23 0.23 0.00 0.00 176.35 177.24 1yx0 n MET 27 N 1.47 0.00 -1.52 1.70 2.81 -1.26 -5.15 117.12 115.17 1yx0 n MET 27 Ca -0.15 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.80 1yx0 n MET 27 Cb 0.52 -0.49 -0.03 0.00 -0.71 0.00 0.00 33.22 32.52 1yx0 n MET 27 CO 0.00 0.00 0.00 0.43 1.51 0.00 0.00 175.97 177.91 1yx0 n SER 28 N -3.30 -8.21 -4.55 7.83 7.64 -1.26 -4.93 113.62 106.84 1yx0 n SER 28 Ca 0.00 1.74 -0.29 0.00 1.01 0.00 0.00 58.87 61.33 1yx0 n SER 28 Cb 0.19 -5.02 0.16 0.00 -1.01 0.00 0.00 64.21 58.53 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 -5.05 0.72 -0.53 1.43 0.04 -1.26 -4.95 135.00 125.40 1yx0 s PRO 29 Ca 0.00 0.14 -0.28 0.00 0.04 0.00 0.00 61.00 60.90 1yx0 s PRO 29 Cb 0.00 -1.80 0.01 0.00 0.04 0.00 0.00 34.50 32.74 1yx0 s PRO 29 CO 0.00 -2.45 1.48 -1.25 0.04 0.00 0.00 177.00 174.82 1yx0 s PRO 30 N -5.39 3.28 0.00 0.56 0.04 -1.26 -4.72 135.00 127.52 1yx0 s PRO 30 Ca 0.66 0.59 0.00 0.00 0.04 0.00 0.00 61.00 62.30 1yx0 s PRO 30 Cb -0.12 -4.14 0.00 0.00 0.04 0.00 0.00 34.50 30.28 1yx0 s PRO 30 CO 0.54 -1.95 0.00 0.39 0.04 0.00 0.00 177.00 176.01 1yx0 n GLU 31 N 8.61 0.00 -2.99 4.56 -0.58 -1.26 -4.98 120.64 124.00 1yx0 n GLU 31 Ca 0.14 0.00 -0.12 0.00 -0.42 0.00 0.00 57.16 56.76 1yx0 n GLU 31 Cb 0.49 0.00 0.06 0.00 -0.57 0.00 0.00 31.44 31.42 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.43 -0.48 0.00 0.00 177.13 177.08 1yx0 n SER 32 N 0.00 -2.07 -4.58 1.62 7.64 -1.26 -4.86 113.62 110.10 1yx0 n SER 32 Ca 0.00 -0.43 -0.47 0.00 1.01 0.00 0.00 58.87 58.98 1yx0 n SER 32 Cb 0.00 -3.73 -0.05 0.00 -1.01 0.00 0.00 64.21 59.42 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yx0 n ILE 33 N -3.18 0.40 -1.37 0.44 0.13 -1.26 -4.53 119.36 109.99 1yx0 n ILE 33 Ca -0.20 -0.27 0.17 0.00 -1.10 0.00 0.00 62.75 61.34 1yx0 n ILE 33 Cb 0.62 -2.07 -0.09 0.00 -0.84 0.00 0.00 39.64 37.26 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.57 2.80 0.00 0.00 176.55 180.92 1yx0 n HIS 34 N 9.33 -3.68 -1.72 9.51 -0.00 -1.26 -4.97 115.22 122.44 1yx0 n HIS 34 Ca 0.30 2.03 0.00 0.00 -0.00 0.00 0.00 57.72 60.06 1yx0 n HIS 34 Cb 0.33 -3.35 0.00 0.00 -0.00 0.00 0.00 29.99 26.98 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 -4.20 -0.25 -0.04 1.57 0.00 -1.26 -5.03 120.51 111.29 1yx0 n ALA 35 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.33 1yx0 n ALA 35 Cb 0.65 -0.49 -0.01 0.00 0.00 0.00 0.00 19.45 19.60 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 0.00 0.00 0.00 0.00 5.85 -1.93 -3.50 115.31 115.73 1yx0 h LEU 36 Ca 0.00 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.72 1yx0 h LEU 36 Cb 0.99 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.02 1yx0 h LEU 36 CO 0.00 0.42 0.00 0.61 -0.34 0.00 0.00 178.44 179.13 1yx0 n GLY 37 N 1.73 -0.03 0.00 3.75 0.00 -1.26 -5.09 105.19 104.29 1yx0 n GLY 37 Ca -0.03 -0.34 0.00 0.00 0.00 0.00 0.00 46.02 45.65 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 -3.97 0.99 7.99 -1.26 -4.77 117.00 115.98 1yx0 n LEU 38 Ca 0.00 0.24 -0.29 0.00 -0.01 0.00 0.00 56.01 55.95 1yx0 n LEU 38 Cb 0.00 0.00 -0.00 0.00 -0.11 0.00 0.00 43.42 43.31 1yx0 n LEU 38 CO 0.00 0.00 -0.06 -0.62 -1.51 0.00 0.00 177.39 175.20 1yx0 n GLU 39 N -0.48 -4.16 0.04 3.23 1.02 -1.26 -4.74 120.64 114.29 1yx0 n GLU 39 Ca 0.00 0.49 0.00 0.00 -0.02 0.00 0.00 57.16 57.63 1yx0 n GLU 39 Cb 0.00 -5.05 0.00 0.00 -0.02 0.00 0.00 31.44 26.37 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 -4.46 0.00 -1.03 3.49 4.81 -1.26 -4.87 118.16 114.83 1yx0 n LYS 40 Ca -0.11 0.00 -0.19 0.00 -0.87 0.00 0.00 58.31 57.14 1yx0 n LYS 40 Cb 0.59 0.00 0.02 0.00 0.02 0.00 0.00 35.03 35.66 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 -2.71 6.50 -0.94 3.14 4.32 -1.26 -3.55 117.00 122.49 1yx0 n LEU 41 Ca 0.00 -3.49 -0.05 0.00 -0.02 0.00 0.00 56.01 52.45 1yx0 n LEU 41 Cb 0.00 -1.10 -0.05 0.00 -1.62 0.00 0.00 43.42 40.65 1yx0 n LEU 41 CO 0.00 1.35 0.32 0.54 -1.22 0.00 0.00 177.39 178.37 1yx0 n ARG 42 N 0.45 0.00 -2.14 3.23 1.74 -1.26 -5.05 116.66 113.63 1yx0 n ARG 42 Ca 0.35 -0.90 -0.02 0.00 -0.77 0.00 0.00 57.85 56.52 1yx0 n ARG 42 Cb 0.58 0.38 -0.00 0.00 -1.02 0.00 0.00 32.46 32.39 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 0.03 4.07 0.19 -0.13 0.00 -1.23 -5.05 105.19 103.07 1yx0 n GLY 43 Ca -0.21 -1.97 -0.16 0.00 0.00 0.00 0.00 46.02 43.68 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 0.58 -0.69 1.61 0.13 -2.01 -3.13 132.00 128.49 1yx0 h PRO 44 Ca -0.02 -0.57 0.18 0.00 -0.87 0.00 0.00 66.00 64.72 1yx0 h PRO 44 Cb 0.07 0.15 -0.04 0.00 0.13 0.00 0.00 31.00 31.31 1yx0 h PRO 44 CO 0.03 1.19 0.48 1.49 -0.23 0.00 0.00 178.00 180.96 1yx0 h GLU 45 N 0.36 0.15 -6.22 0.86 4.81 -1.97 -3.40 114.58 109.17 1yx0 h GLU 45 Ca -0.08 -0.01 -0.48 0.00 -0.13 0.00 0.00 59.36 58.66 1yx0 h GLU 45 Cb 1.54 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.88 1yx0 h GLU 45 CO 0.17 0.10 -0.40 0.42 -0.73 0.00 0.00 179.01 178.57 1yx0 s ILE 46 N -5.16 5.24 -0.08 2.32 -1.09 -1.18 -4.81 121.20 116.44 1yx0 s ILE 46 Ca -0.06 -0.82 -0.04 0.00 -2.23 0.00 0.00 60.65 57.50 1yx0 s ILE 46 Cb 0.21 -3.83 0.05 0.00 -1.58 0.00 0.00 42.46 37.30 1yx0 s ILE 46 CO 0.75 -0.31 0.18 -0.89 -1.23 0.00 0.00 174.94 173.44 1yx0 s THR 47 N -1.98 -0.15 -0.26 2.92 2.01 -1.26 -4.72 115.64 112.19 1yx0 s THR 47 Ca 0.35 0.24 -0.12 0.00 0.31 0.00 0.00 61.69 62.48 1yx0 s THR 47 Cb -0.10 -0.30 -0.05 0.00 0.01 0.00 0.00 72.50 72.06 1yx0 s THR 47 CO 0.30 0.10 0.22 -0.36 -0.69 0.00 0.00 174.62 174.18 1yx0 s PHE 48 N 1.66 3.26 -0.20 4.92 0.40 -1.26 -3.94 117.98 122.82 1yx0 s PHE 48 Ca -0.04 0.21 -0.10 0.00 -0.60 0.00 0.00 56.93 56.40 1yx0 s PHE 48 Cb -0.12 -2.38 -0.05 0.00 0.51 0.00 0.00 43.02 40.98 1yx0 s PHE 48 CO -0.07 -0.10 0.12 -1.58 0.70 0.00 0.00 175.22 174.30 1yx0 s TRP 49 N 1.60 3.40 0.33 0.36 0.51 -1.21 -1.22 118.94 122.70 1yx0 s TRP 49 Ca 0.09 0.31 0.09 0.00 -2.12 0.00 0.00 56.10 54.47 1yx0 s TRP 49 Cb -0.15 -2.15 -0.05 0.00 -0.81 0.00 0.00 33.47 30.30 1yx0 s TRP 49 CO 0.09 0.28 -0.00 -1.54 -0.51 0.00 0.00 176.95 175.26 1yx0 s SER 50 N 0.37 4.19 -0.01 2.95 1.04 0.21 -0.43 113.70 122.03 1yx0 s SER 50 Ca 0.08 -0.94 0.00 0.00 0.48 0.00 0.00 55.95 55.56 1yx0 s SER 50 Cb -0.11 -0.56 0.02 0.00 0.10 0.00 0.00 66.02 65.47 1yx0 s SER 50 CO -0.02 -0.19 0.01 0.00 0.98 0.00 0.00 173.24 174.03 1yx0 s ALA 51 N -2.49 0.05 -0.17 5.32 0.00 -0.98 -1.29 121.76 122.19 1yx0 s ALA 51 Ca 0.34 0.16 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 1yx0 s ALA 51 Cb -0.01 -0.13 0.00 0.00 0.00 0.00 0.00 23.12 22.98 1yx0 s ALA 51 CO 0.19 -0.06 -0.15 -1.58 0.00 0.00 0.00 175.76 174.17 1yx0 s TRP 52 N 0.56 2.80 -0.53 0.00 0.52 -0.26 0.85 118.94 122.89 1yx0 s TRP 52 Ca -0.05 -1.20 0.05 0.00 0.02 0.00 0.00 56.10 54.92 1yx0 s TRP 52 Cb -0.07 -1.93 0.20 0.00 -1.15 0.00 0.00 33.47 30.52 1yx0 s TRP 52 CO -0.02 -0.58 0.48 -1.91 0.02 0.00 0.00 176.95 174.94 1yx0 n GLU 53 N 4.33 1.12 0.00 4.98 2.13 -1.22 -3.80 120.64 128.18 1yx0 n GLU 53 Ca -0.19 -3.79 0.00 0.00 0.66 0.00 0.00 57.16 53.83 1yx0 n GLU 53 Cb 0.51 -1.85 0.00 0.00 0.27 0.00 0.00 31.44 30.37 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 2.02 0.27 0.24 8.31 0.00 -1.26 -4.65 105.19 110.12 1yx0 n GLY 54 Ca 0.25 -1.29 0.05 0.00 0.00 0.00 0.00 46.02 45.04 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 1.26 -4.32 1.61 10.43 -1.26 -4.99 116.55 119.28 1yx0 n ASP 55 Ca 0.00 -1.13 -0.19 0.00 2.57 0.00 0.00 54.79 56.04 1yx0 n ASP 55 Cb 0.00 0.48 -0.10 0.00 1.84 0.00 0.00 41.12 43.34 1yx0 n ASP 55 CO 0.00 0.00 0.00 -1.83 -1.07 0.00 0.00 177.20 174.30 1yx0 s GLU 56 N -1.45 1.24 0.14 -1.24 -1.05 -1.26 -5.10 118.70 109.98 1yx0 s GLU 56 Ca 0.09 -1.47 -0.32 0.00 -0.15 0.00 0.00 54.97 53.12 1yx0 s GLU 56 Cb 0.09 -1.08 -0.11 0.00 -0.44 0.00 0.00 34.13 32.58 1yx0 s GLU 56 CO 0.28 0.19 1.79 1.47 0.95 0.00 0.00 175.26 179.94 1yx0 n LEU 57 N -0.06 3.93 -0.08 1.83 -0.00 -1.26 -3.44 117.00 117.93 1yx0 n LEU 57 Ca -0.11 1.01 -0.15 0.00 -0.00 0.00 0.00 56.01 56.77 1yx0 n LEU 57 Cb 0.59 -1.54 -0.04 0.00 -0.00 0.00 0.00 43.42 42.43 1yx0 n LEU 57 CO 0.32 0.13 0.44 0.00 -0.00 0.00 0.00 177.39 178.29 1yx0 h ALA 58 N 7.90 0.45 0.00 1.47 0.00 0.14 -3.45 119.26 125.77 1yx0 h ALA 58 Ca -0.45 -0.50 0.00 0.00 0.00 0.00 0.00 54.91 53.95 1yx0 h ALA 58 Cb 1.22 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.93 1yx0 h ALA 58 CO 0.95 0.65 0.00 0.41 0.00 0.00 0.00 179.25 181.26 1yx0 n GLY 59 N 0.36 -0.54 3.76 0.00 0.00 -0.90 -4.78 105.19 103.08 1yx0 n GLY 59 Ca -0.04 -0.82 -0.09 0.00 0.00 0.00 0.00 46.02 45.06 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 -0.52 1.50 3.59 0.00 0.00 0.43 -4.64 105.19 105.55 1yx0 n GLY 61 Ca -0.06 -1.15 -0.05 0.00 0.00 0.00 0.00 46.02 44.77 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 -1.57 -1.84 -0.06 4.61 0.00 -1.26 -3.31 121.76 118.33 1yx0 s ALA 62 Ca 0.08 2.26 -0.02 0.00 0.00 0.00 0.00 51.96 54.29 1yx0 s ALA 62 Cb -0.02 -1.54 0.03 0.00 0.00 0.00 0.00 23.12 21.59 1yx0 s ALA 62 CO 0.06 -0.64 0.05 -0.48 0.00 0.00 0.00 175.76 174.75 1yx0 s LEU 63 N 2.24 0.28 0.02 0.00 0.05 -1.25 -1.75 118.68 118.27 1yx0 s LEU 63 Ca -0.08 -0.01 0.01 0.00 0.05 0.00 0.00 54.13 54.10 1yx0 s LEU 63 Cb -0.09 -0.23 -0.04 0.00 -2.05 0.00 0.00 46.19 43.79 1yx0 s LEU 63 CO -0.19 -0.24 0.07 -0.75 -0.55 0.00 0.00 176.35 174.69 1yx0 s LYS 64 N 2.11 2.96 0.34 1.48 2.20 -1.21 -4.51 119.74 123.12 1yx0 s LYS 64 Ca 0.05 -0.57 -0.28 0.00 -0.36 0.00 0.00 55.97 54.80 1yx0 s LYS 64 Cb -0.12 -2.79 -0.10 0.00 -1.51 0.00 0.00 37.83 33.31 1yx0 s LYS 64 CO -0.04 0.62 1.34 -1.21 -0.36 0.00 0.00 175.35 175.70 1yx0 s GLU 65 N -1.90 4.30 0.02 4.03 2.02 -1.26 -3.78 118.70 122.12 1yx0 s GLU 65 Ca 0.24 2.28 0.00 0.00 0.02 0.00 0.00 54.97 57.52 1yx0 s GLU 65 Cb -0.12 -3.04 0.00 0.00 0.10 0.00 0.00 34.13 31.07 1yx0 s GLU 65 CO 0.16 -0.26 0.00 1.28 0.02 0.00 0.00 175.26 176.45 1yx0 n LEU 66 N 0.71 0.17 0.00 1.80 4.32 -1.23 -4.97 117.00 117.79 1yx0 n LEU 66 Ca 0.00 0.02 -0.15 0.00 -0.02 0.00 0.00 56.01 55.87 1yx0 n LEU 66 Cb 0.41 -0.05 -0.04 0.00 -1.62 0.00 0.00 43.42 42.13 1yx0 n LEU 66 CO 0.60 -0.54 -0.10 0.47 -1.22 0.00 0.00 177.39 176.60 1yx0 n ASP 67 N -2.65 1.75 0.15 -1.43 10.43 -0.96 -4.98 116.55 118.85 1yx0 n ASP 67 Ca 0.00 -2.14 0.00 0.00 2.57 0.00 0.00 54.79 55.22 1yx0 n ASP 67 Cb 0.00 0.40 0.23 0.00 1.84 0.00 0.00 41.12 43.59 1yx0 n ASP 67 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 1yx0 h THR 68 N 1.27 1.37 -0.15 -3.53 1.03 -2.00 -3.26 112.91 107.64 1yx0 h THR 68 Ca -0.19 -1.84 -0.19 0.00 -0.01 0.00 0.00 66.41 64.19 1yx0 h THR 68 Cb 0.65 2.00 -0.31 0.00 -1.07 0.00 0.00 68.15 69.41 1yx0 h THR 68 CO 0.30 0.52 -0.93 -2.11 -0.01 0.00 0.00 175.52 173.30 1yx0 n ARG 69 N -3.88 0.98 -3.94 0.00 1.85 -1.26 -4.63 116.66 105.78 1yx0 n ARG 69 Ca -0.01 -2.76 -0.10 0.00 -1.00 0.00 0.00 57.85 53.98 1yx0 n ARG 69 Cb 0.55 -0.85 -0.10 0.00 -1.05 0.00 0.00 32.46 31.01 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 -1.75 0.20 0.33 2.89 2.46 -1.23 -1.58 115.29 116.61 1yx0 s HIS 70 Ca 0.35 -0.47 -0.11 0.00 0.47 0.00 0.00 55.06 55.31 1yx0 s HIS 70 Cb 0.37 -0.15 0.02 0.00 -0.13 0.00 0.00 32.58 32.69 1yx0 s HIS 70 CO -0.11 -0.30 0.60 0.20 -2.47 0.00 0.00 174.74 172.66 1yx0 s GLY 71 N -1.85 0.79 -0.00 1.59 0.00 -1.24 -2.28 107.32 104.33 1yx0 s GLY 71 Ca -0.09 -1.03 -0.17 0.00 0.00 0.00 0.00 44.72 43.43 1yx0 s GLY 71 CO -0.03 -0.62 0.36 1.85 0.00 0.00 0.00 173.10 174.67 1yx0 s GLU 72 N -3.06 0.76 -0.17 2.90 2.12 -1.25 -2.13 118.70 117.86 1yx0 s GLU 72 Ca 0.22 -0.21 0.00 0.00 0.36 0.00 0.00 54.97 55.35 1yx0 s GLU 72 Cb -0.03 0.34 0.01 0.00 0.26 0.00 0.00 34.13 34.71 1yx0 s GLU 72 CO 0.14 -0.22 -0.17 0.42 -0.54 0.00 0.00 175.26 174.89 1yx0 s ILE 73 N -1.60 2.42 -0.51 -3.70 1.09 -1.25 -3.30 121.20 114.34 1yx0 s ILE 73 Ca -0.11 -0.84 0.07 0.00 -1.10 0.00 0.00 60.65 58.67 1yx0 s ILE 73 Cb -0.04 -2.02 0.36 0.00 -1.06 0.00 0.00 42.46 39.70 1yx0 s ILE 73 CO 0.03 0.52 0.94 2.29 -0.10 0.00 0.00 174.94 178.62 1yx0 n LYS 74 N 4.38 2.79 0.00 2.79 2.85 -0.72 -4.73 118.16 125.52 1yx0 n LYS 74 Ca -0.20 -4.49 0.00 0.00 -1.05 0.00 0.00 58.31 52.58 1yx0 n LYS 74 Cb 0.51 -2.11 0.00 0.00 -0.65 0.00 0.00 35.03 32.78 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.43 -0.05 0.00 0.00 177.40 177.78 1yx0 n SER 75 N -0.18 0.00 0.00 -5.58 7.64 -1.26 -4.66 113.62 109.58 1yx0 n SER 75 Ca 0.30 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.18 1yx0 n SER 75 Cb 0.50 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.70 1yx0 n SER 75 CO 0.00 0.00 0.00 0.23 -3.01 0.00 0.00 175.04 172.26 1yx0 n MET 76 N -0.03 0.00 -3.81 1.43 2.81 -1.26 -4.33 117.12 111.93 1yx0 n MET 76 Ca 0.00 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.76 1yx0 n MET 76 Cb 0.00 0.00 -0.13 0.00 -0.71 0.00 0.00 33.22 32.38 1yx0 n MET 76 CO 0.00 0.00 0.00 1.03 1.51 0.00 0.00 175.97 178.51 1yx0 s ARG 77 N 0.00 0.17 0.00 0.03 0.52 -1.26 -4.97 118.95 113.44 1yx0 s ARG 77 Ca 0.00 0.23 0.00 0.00 -0.52 0.00 0.00 55.73 55.44 1yx0 s ARG 77 Cb 0.00 0.06 0.00 0.00 0.52 0.00 0.00 34.95 35.53 1yx0 s ARG 77 CO 0.00 -0.04 0.00 -2.37 0.02 0.00 0.00 175.30 172.91 1yx0 n THR 78 N 3.12 0.00 -1.47 0.02 5.66 -1.26 -4.67 114.28 115.68 1yx0 n THR 78 Ca -0.14 0.00 -0.42 0.00 -3.05 0.00 0.00 64.05 60.45 1yx0 n THR 78 Cb 0.58 0.00 -0.15 0.00 -1.55 0.00 0.00 70.33 69.22 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1yx0 n SER 79 N 0.00 0.31 -0.04 1.09 2.88 -1.26 -4.65 113.62 111.95 1yx0 n SER 79 Ca 0.00 0.20 0.02 0.00 -1.33 0.00 0.00 58.87 57.77 1yx0 n SER 79 Cb 0.00 -0.91 0.03 0.00 -0.75 0.00 0.00 64.21 62.58 1yx0 n SER 79 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 n ALA 80 N 10.23 1.92 -1.28 -1.46 0.00 -1.26 -4.95 120.51 123.70 1yx0 n ALA 80 Ca 0.65 -1.28 -0.10 0.00 0.00 0.00 0.00 53.44 52.71 1yx0 n ALA 80 Cb 0.03 -0.11 -0.04 0.00 0.00 0.00 0.00 19.45 19.33 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1yx0 n SER 81 N -0.61 -4.34 -0.07 0.00 2.88 -1.26 -4.82 113.62 105.40 1yx0 n SER 81 Ca 0.03 0.24 0.03 0.00 -1.33 0.00 0.00 58.87 57.84 1yx0 n SER 81 Cb 0.39 -2.69 -0.01 0.00 -0.75 0.00 0.00 64.21 61.15 1yx0 n SER 81 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1yx0 n HIS 82 N -2.66 0.00 -3.99 0.66 -0.00 -1.26 -5.00 115.22 102.96 1yx0 n HIS 82 Ca -0.10 0.00 -0.11 0.00 -0.00 0.00 0.00 57.72 57.51 1yx0 n HIS 82 Cb 0.35 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.22 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 -1.74 2.18 -0.48 0.27 1.43 -1.26 -5.12 118.68 113.97 1yx0 s LEU 83 Ca 0.03 -0.38 -0.03 0.00 -1.03 0.00 0.00 54.13 52.73 1yx0 s LEU 83 Cb 0.04 -0.01 0.13 0.00 0.03 0.00 0.00 46.19 46.38 1yx0 s LEU 83 CO 0.17 -0.19 0.28 -0.13 0.23 0.00 0.00 176.35 176.71 1yx0 s ARG 84 N -1.09 2.17 -0.07 1.70 1.81 -1.26 -4.81 118.95 117.40 1yx0 s ARG 84 Ca -0.10 -2.06 -0.06 0.00 -1.72 0.00 0.00 55.73 51.79 1yx0 s ARG 84 Cb -0.07 -3.62 0.01 0.00 -0.45 0.00 0.00 34.95 30.81 1yx0 s ARG 84 CO -0.00 -1.11 0.10 1.63 -0.68 0.00 0.00 175.30 175.24 1yx0 n LYS 85 N 4.22 -0.55 0.00 3.54 4.01 -1.26 -4.92 118.16 123.20 1yx0 n LYS 85 Ca 0.01 0.89 0.00 0.00 -0.51 0.00 0.00 58.31 58.70 1yx0 n LYS 85 Cb 0.40 -1.20 0.00 0.00 -0.51 0.00 0.00 35.03 33.72 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 1.07 -1.15 0.44 0.72 0.00 -1.26 -4.82 105.19 100.20 1yx0 n GLY 86 Ca -0.01 0.27 -0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.81 1.61 2.07 -1.91 0.51 116.25 117.71 1yx0 h VAL 87 Ca 0.00 0.00 0.16 0.00 0.82 0.00 0.00 66.70 67.68 1yx0 h VAL 87 Cb 0.00 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 29.67 1yx0 h VAL 87 CO 0.00 0.00 0.36 0.00 0.02 0.00 0.00 177.57 177.95 1yx0 h ALA 88 N -0.31 1.19 -0.67 1.67 0.00 -1.93 0.29 119.26 119.50 1yx0 h ALA 88 Ca 0.04 0.11 0.06 0.00 0.00 0.00 0.00 54.91 55.12 1yx0 h ALA 88 Cb 0.64 0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.43 1yx0 h ALA 88 CO -0.44 -0.19 0.37 0.87 0.00 0.00 0.00 179.25 179.85 1yx0 h LYS 89 N 0.50 0.65 0.28 0.00 1.57 -1.12 0.95 116.57 119.40 1yx0 h LYS 89 Ca 0.45 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 59.19 1yx0 h LYS 89 Cb 0.70 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.86 1yx0 h LYS 89 CO -0.41 0.43 -0.18 1.96 -0.57 0.00 0.00 179.45 180.68 1yx0 h GLN 90 N 0.67 -0.43 0.40 3.15 4.20 0.34 0.28 115.11 123.72 1yx0 h GLN 90 Ca 0.30 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 59.02 1yx0 h GLN 90 Cb 0.20 0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1yx0 h GLN 90 CO -0.19 -0.28 -0.19 0.28 -0.67 0.00 0.00 178.83 177.77 1yx0 h VAL 91 N -0.44 0.61 -0.76 -0.54 2.07 -0.59 -1.08 116.25 115.52 1yx0 h VAL 91 Ca -0.03 -0.08 0.17 0.00 0.82 0.00 0.00 66.70 67.58 1yx0 h VAL 91 Cb 0.37 0.66 -0.12 0.00 -1.52 0.00 0.00 31.29 30.68 1yx0 h VAL 91 CO 0.02 0.02 0.13 0.25 0.02 0.00 0.00 177.57 178.01 1yx0 h LEU 92 N -0.58 -0.10 -1.06 2.57 7.12 0.10 0.97 115.31 124.33 1yx0 h LEU 92 Ca -0.05 0.17 0.03 0.00 0.13 0.00 0.00 57.88 58.15 1yx0 h LEU 92 Cb 0.44 0.25 -0.05 0.00 -0.53 0.00 0.00 40.66 40.77 1yx0 h LEU 92 CO 0.09 -0.10 0.63 -0.61 -0.13 0.00 0.00 178.44 178.32 1yx0 h GLN 93 N 0.20 1.21 -0.08 1.25 -0.00 -0.03 -0.96 115.11 116.70 1yx0 h GLN 93 Ca 0.43 -0.07 -0.15 0.00 -0.00 0.00 0.00 58.65 58.85 1yx0 h GLN 93 Cb 0.76 -0.27 -0.01 0.00 0.00 0.00 0.00 27.48 27.96 1yx0 h GLN 93 CO -0.58 0.80 -0.62 1.25 0.00 0.00 0.00 178.83 179.68 1yx0 h HIS 94 N 1.24 0.37 -0.27 3.99 2.76 0.15 -1.23 115.15 122.16 1yx0 h HIS 94 Ca 0.37 -0.15 0.03 0.00 -2.20 0.00 0.00 60.37 58.43 1yx0 h HIS 94 Cb -0.04 -0.07 -0.03 0.00 1.55 0.00 0.00 27.41 28.82 1yx0 h HIS 94 CO -0.00 0.83 0.08 0.82 -1.30 0.00 0.00 177.93 178.36 1yx0 h ILE 95 N 0.21 0.90 -0.18 6.26 1.08 0.19 1.53 117.51 127.51 1yx0 h ILE 95 Ca -0.01 -0.07 -0.14 0.00 -0.39 0.00 0.00 64.86 64.25 1yx0 h ILE 95 Cb 1.14 0.70 -0.01 0.00 -3.07 0.00 0.00 36.82 35.58 1yx0 h ILE 95 CO 0.10 0.03 -0.49 0.40 -0.69 0.00 0.00 178.15 177.51 1yx0 h ILE 96 N 0.19 1.32 -0.06 -0.67 2.04 -1.28 -2.39 117.51 116.66 1yx0 h ILE 96 Ca 0.12 -1.70 -0.01 0.00 1.00 0.00 0.00 64.86 64.27 1yx0 h ILE 96 Cb 0.11 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.89 1yx0 h ILE 96 CO -0.14 0.53 -0.00 -0.08 0.00 0.00 0.00 178.15 178.45 1yx0 h GLU 97 N 0.39 0.11 -0.61 2.37 4.22 -0.27 0.38 114.58 121.17 1yx0 h GLU 97 Ca 0.02 -0.04 0.08 0.00 0.08 0.00 0.00 59.36 59.50 1yx0 h GLU 97 Cb 0.99 -0.01 -0.06 0.00 0.50 0.00 0.00 28.75 30.17 1yx0 h GLU 97 CO 0.09 0.39 0.28 0.93 -2.18 0.00 0.00 179.01 178.52 1yx0 h GLU 98 N -0.18 0.49 -0.03 1.92 3.07 0.22 1.24 114.58 121.31 1yx0 h GLU 98 Ca 0.02 -0.03 -0.13 0.00 -0.50 0.00 0.00 59.36 58.72 1yx0 h GLU 98 Cb 0.34 -0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.13 1yx0 h GLU 98 CO 0.00 0.33 -0.57 0.00 -1.40 0.00 0.00 179.01 177.37 1yx0 h ALA 99 N 1.37 0.99 -0.02 3.43 0.00 -1.33 -2.56 119.26 121.15 1yx0 h ALA 99 Ca 0.29 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.67 1yx0 h ALA 99 Cb 0.29 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.99 1yx0 h ALA 99 CO -0.24 0.71 -0.04 0.93 0.00 0.00 0.00 179.25 180.60 1yx0 h GLU 100 N 0.07 0.07 -0.04 0.00 5.08 0.18 0.30 114.58 120.24 1yx0 h GLU 100 Ca -0.00 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1yx0 h GLU 100 Cb 1.02 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.28 1yx0 h GLU 100 CO 0.08 0.60 0.07 1.57 -1.00 0.00 0.00 179.01 180.33 1yx0 h LYS 101 N -0.45 0.00 0.15 2.33 2.10 0.15 -1.10 116.57 119.74 1yx0 h LYS 101 Ca 0.00 0.00 -0.27 0.00 -2.00 0.00 0.00 60.65 58.38 1yx0 h LYS 101 Cb 0.59 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.93 1yx0 h LYS 101 CO 0.01 0.00 -1.33 0.00 -2.00 0.00 0.00 179.45 176.13 1yx0 h ARG 102 N 0.00 0.32 0.00 0.07 3.08 -1.22 -3.49 114.38 113.13 1yx0 h ARG 102 Ca 0.02 -0.54 0.00 0.00 0.07 0.00 0.00 59.98 59.53 1yx0 h ARG 102 Cb 0.16 0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.41 1yx0 h ARG 102 CO -0.00 1.26 0.00 0.41 -1.07 0.00 0.00 179.97 180.57 1yx0 n GLY 103 N 1.74 1.44 3.82 0.04 0.00 0.08 -5.10 105.19 107.21 1yx0 n GLY 103 Ca -0.21 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.00 3.17 -0.01 1.61 4.12 0.83 -4.79 117.35 120.29 1yx0 s TYR 104 Ca 0.00 1.43 0.01 0.00 0.02 0.00 0.00 57.07 58.53 1yx0 s TYR 104 Cb 0.00 -2.88 0.01 0.00 -1.52 0.00 0.00 41.96 37.57 1yx0 s TYR 104 CO 0.00 -1.08 0.73 0.39 0.02 0.00 0.00 175.55 175.62 1yx0 n GLU 105 N -2.71 1.02 -3.47 -0.62 1.02 -1.05 -4.83 120.64 109.99 1yx0 n GLU 105 Ca 0.08 -0.97 -0.10 0.00 -0.02 0.00 0.00 57.16 56.15 1yx0 n GLU 105 Cb 0.53 -0.71 -0.02 0.00 -0.02 0.00 0.00 31.44 31.23 1yx0 n GLU 105 CO 0.00 0.00 0.00 0.50 1.18 0.00 0.00 177.13 178.81 1yx0 s ARG 106 N -0.46 1.10 0.00 3.49 3.52 -0.62 -3.80 118.95 122.18 1yx0 s ARG 106 Ca 0.02 -0.42 -0.22 0.00 -0.13 0.00 0.00 55.73 54.98 1yx0 s ARG 106 Cb 0.01 0.50 0.05 0.00 -1.56 0.00 0.00 34.95 33.95 1yx0 s ARG 106 CO 0.00 -0.48 0.50 -1.17 -0.81 0.00 0.00 175.30 173.34 1yx0 s LEU 107 N -2.64 0.05 0.24 -0.88 2.96 -1.09 -3.72 118.68 113.60 1yx0 s LEU 107 Ca 0.03 0.28 0.05 0.00 -0.22 0.00 0.00 54.13 54.28 1yx0 s LEU 107 Cb -0.01 1.98 -0.05 0.00 0.50 0.00 0.00 46.19 48.60 1yx0 s LEU 107 CO -0.10 -0.61 -0.05 -0.44 -1.32 0.00 0.00 176.35 173.83 1yx0 s SER 108 N -1.60 2.29 0.03 3.68 0.01 -0.91 -2.47 113.70 114.74 1yx0 s SER 108 Ca -0.09 -1.17 -0.28 0.00 1.31 0.00 0.00 55.95 55.72 1yx0 s SER 108 Cb -0.02 -0.08 0.09 0.00 0.21 0.00 0.00 66.02 66.23 1yx0 s SER 108 CO 0.03 -0.40 0.87 -1.48 0.41 0.00 0.00 173.24 172.68 1yx0 s LEU 109 N -3.35 -0.35 -0.37 2.44 2.34 -1.26 -3.93 118.68 114.19 1yx0 s LEU 109 Ca 0.27 -0.06 -0.12 0.00 0.06 0.00 0.00 54.13 54.28 1yx0 s LEU 109 Cb 0.04 2.09 0.02 0.00 -0.56 0.00 0.00 46.19 47.78 1yx0 s LEU 109 CO 0.09 -0.69 0.22 -1.83 -1.06 0.00 0.00 176.35 173.08 1yx0 s GLU 110 N -3.20 2.94 -0.30 1.48 -1.05 -1.26 -4.60 118.70 112.71 1yx0 s GLU 110 Ca 0.06 -1.01 -0.16 0.00 -0.15 0.00 0.00 54.97 53.70 1yx0 s GLU 110 Cb -0.01 -3.77 0.18 0.00 -0.44 0.00 0.00 34.13 30.09 1yx0 s GLU 110 CO -0.08 -0.67 1.13 -0.08 0.95 0.00 0.00 175.26 176.51 1yx0 s THR 111 N 1.59 -0.27 -0.20 1.83 -1.32 -1.26 -5.00 115.64 111.01 1yx0 s THR 111 Ca 0.03 0.00 0.20 0.00 -1.21 0.00 0.00 61.69 60.71 1yx0 s THR 111 Cb -0.19 -1.00 0.48 0.00 -1.51 0.00 0.00 72.50 70.28 1yx0 s THR 111 CO 0.08 0.00 1.14 0.61 -2.21 0.00 0.00 174.62 174.24 1yx0 n GLY 112 N 4.97 2.64 1.10 6.08 0.00 -1.19 -3.46 105.19 115.33 1yx0 n GLY 112 Ca -0.08 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.64 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 -0.41 0.00 -4.57 1.61 7.64 -1.26 -1.41 113.62 115.22 1yx0 n SER 113 Ca 0.14 0.00 -0.58 0.00 1.01 0.00 0.00 58.87 59.44 1yx0 n SER 113 Cb 0.90 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 64.02 1yx0 n SER 113 CO 0.00 0.00 0.00 0.80 -3.01 0.00 0.00 175.04 172.83 1yx0 n MET 114 N -2.00 0.43 -0.09 1.43 0.00 -1.26 -4.54 117.12 111.09 1yx0 n MET 114 Ca 0.00 0.15 -0.06 0.00 0.00 0.00 0.00 57.70 57.79 1yx0 n MET 114 Cb 0.00 -1.71 -0.00 0.00 0.00 0.00 0.00 33.22 31.51 1yx0 n MET 114 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175.97 175.97 1yx0 h ALA 115 N 3.94 0.18 -0.30 -5.12 0.00 -1.96 1.21 119.26 117.22 1yx0 h ALA 115 Ca -0.49 0.13 0.09 0.00 0.00 0.00 0.00 54.91 54.63 1yx0 h ALA 115 Cb 1.39 0.28 -0.01 0.00 0.00 0.00 0.00 17.79 19.45 1yx0 h ALA 115 CO 0.74 -0.48 0.45 0.77 0.00 0.00 0.00 179.25 180.73 1yx0 h SER 116 N -0.03 0.00 0.00 0.00 0.02 -2.04 0.36 113.55 111.85 1yx0 h SER 116 Ca 0.16 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.07 1yx0 h SER 116 Cb 0.27 0.00 -0.09 0.00 0.14 0.00 0.00 62.40 62.72 1yx0 h SER 116 CO -0.35 0.00 -0.57 0.49 -1.14 0.00 0.00 176.83 175.26 1yx0 n PHE 117 N -3.41 0.00 0.07 3.45 0.99 0.16 -4.81 117.46 113.91 1yx0 n PHE 117 Ca 0.05 -1.16 -0.12 0.00 -0.00 0.00 0.00 57.45 56.21 1yx0 n PHE 117 Cb 0.59 -0.21 -0.06 0.00 -1.00 0.00 0.00 39.48 38.80 1yx0 n PHE 117 CO 0.00 0.00 0.00 1.49 -0.00 0.00 0.00 176.76 178.25 1yx0 h GLU 118 N 0.86 -0.15 0.00 -1.08 4.81 0.54 -0.03 114.58 119.53 1yx0 h GLU 118 Ca -0.05 0.01 -0.06 0.00 -0.13 0.00 0.00 59.36 59.13 1yx0 h GLU 118 Cb 1.22 0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.62 1yx0 h GLU 118 CO 0.02 -0.10 -0.29 -1.00 -0.73 0.00 0.00 179.01 176.91 1yx0 h PRO 119 N -0.16 0.00 -0.05 0.92 0.13 -1.85 -2.86 132.00 128.13 1yx0 h PRO 119 Ca 0.01 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 65.14 1yx0 h PRO 119 Cb 0.17 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 31.30 1yx0 h PRO 119 CO -0.05 0.29 0.01 0.00 -0.23 0.00 0.00 178.00 178.02 1yx0 h ALA 120 N 1.71 0.07 -0.75 -0.56 0.00 -1.74 0.48 119.26 118.45 1yx0 h ALA 120 Ca -0.00 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.73 1yx0 h ALA 120 Cb 0.97 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.71 1yx0 h ALA 120 CO 0.04 -0.29 0.35 -0.09 0.00 0.00 0.00 179.25 179.26 1yx0 h ARG 121 N -0.17 1.09 0.00 0.00 2.43 -1.01 0.44 114.38 117.17 1yx0 h ARG 121 Ca 0.02 -0.17 -0.09 0.00 -0.81 0.00 0.00 59.98 58.93 1yx0 h ARG 121 Cb 0.28 -0.19 -0.01 0.00 -0.42 0.00 0.00 29.97 29.63 1yx0 h ARG 121 CO 0.00 0.86 -0.43 0.87 -1.51 0.00 0.00 179.97 179.77 1yx0 h LYS 122 N 1.06 0.00 0.04 0.20 1.57 -1.35 -1.35 116.57 116.73 1yx0 h LYS 122 Ca 0.26 0.00 -0.24 0.00 -1.87 0.00 0.00 60.65 58.80 1yx0 h LYS 122 Cb 0.14 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.46 1yx0 h LYS 122 CO -0.03 0.43 -1.03 1.25 -0.57 0.00 0.00 179.45 179.50 1yx0 h LEU 123 N 0.00 0.54 0.15 2.94 7.12 0.93 -2.61 115.31 124.38 1yx0 h LEU 123 Ca -0.00 -0.46 -0.01 0.00 0.13 0.00 0.00 57.88 57.54 1yx0 h LEU 123 Cb 0.80 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.77 1yx0 h LEU 123 CO 0.06 1.28 -0.07 1.88 -0.13 0.00 0.00 178.44 181.46 1yx0 h TYR 124 N 0.20 -0.19 0.00 1.25 0.05 0.20 -2.82 116.97 115.67 1yx0 h TYR 124 Ca -0.10 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.67 1yx0 h TYR 124 Cb 1.68 0.06 -0.00 0.00 1.01 0.00 0.00 36.73 39.48 1yx0 h TYR 124 CO 0.07 0.12 -0.03 1.05 -1.05 0.00 0.00 178.16 178.32 1yx0 h GLU 125 N -0.50 0.00 0.00 4.88 -0.00 -1.35 0.20 114.58 117.81 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 0.39 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.14 1yx0 h GLU 125 CO 0.03 0.03 0.00 0.45 -0.00 0.00 0.00 179.01 179.52 1yx0 n SER 126 N -4.29 0.57 0.01 3.06 2.88 -0.98 -1.54 113.62 113.32 1yx0 n SER 126 Ca -0.03 0.66 0.11 0.00 -1.33 0.00 0.00 58.87 58.28 1yx0 n SER 126 Cb 0.12 -0.77 -0.12 0.00 -0.75 0.00 0.00 64.21 62.69 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 -2.15 0.12 0.00 0.66 -0.00 0.68 -4.97 117.46 111.80 1yx0 n PHE 127 Ca 0.02 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.50 1yx0 n PHE 127 Cb 0.19 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.25 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 1.32 2.04 3.05 7.13 0.00 -0.59 -5.11 105.19 113.03 1yx0 n GLY 128 Ca -0.01 -0.22 -0.43 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.54 -4.22 1.61 3.72 -1.09 -4.88 117.46 112.06 1yx0 n PHE 129 Ca 0.00 0.85 -0.15 0.00 -0.05 0.00 0.00 57.45 58.10 1yx0 n PHE 129 Cb 0.00 -1.75 -0.10 0.00 -0.94 0.00 0.00 39.48 36.68 1yx0 n PHE 129 CO 0.00 0.00 0.00 -0.65 -0.05 0.00 0.00 176.76 176.06 1yx0 s GLN 130 N -0.90 0.98 0.50 -1.08 -0.21 -0.96 -4.09 119.66 113.89 1yx0 s GLN 130 Ca 0.57 -1.31 -0.22 0.00 0.02 0.00 0.00 55.36 54.42 1yx0 s GLN 130 Cb -0.82 -0.63 -0.06 0.00 1.00 0.00 0.00 33.01 32.49 1yx0 s GLN 130 CO 0.51 0.09 1.21 0.71 -2.12 0.00 0.00 175.29 175.69 1yx0 s TYR 131 N -2.82 2.69 0.36 0.91 4.12 -1.26 -1.30 117.35 120.04 1yx0 s TYR 131 Ca 0.11 1.50 -0.07 0.00 0.02 0.00 0.00 57.07 58.63 1yx0 s TYR 131 Cb -0.01 -3.47 0.02 0.00 -1.52 0.00 0.00 41.96 36.98 1yx0 s TYR 131 CO 0.01 -1.88 0.60 0.00 0.02 0.00 0.00 175.55 174.30 1yx0 n GLU 133 N -0.56 0.29 -2.21 0.00 1.02 -1.26 -4.24 120.64 113.69 1yx0 n GLU 133 Ca -0.03 0.12 -0.33 0.00 -0.02 0.00 0.00 57.16 56.90 1yx0 n GLU 133 Cb 0.61 -1.46 -0.01 0.00 -0.02 0.00 0.00 31.44 30.56 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 -1.83 3.50 0.00 3.49 0.04 -1.26 -4.75 135.00 134.18 1yx0 s PRO 134 Ca 0.63 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.89 1yx0 s PRO 134 Cb -0.44 -2.06 0.00 0.00 0.04 0.00 0.00 34.50 32.05 1yx0 s PRO 134 CO 0.60 -0.66 0.00 0.34 0.04 0.00 0.00 177.00 177.31 1yx0 n PHE 135 N -1.71 0.00 0.00 0.56 -0.00 -1.26 -4.93 117.46 110.12 1yx0 n PHE 135 Ca 0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.54 1yx0 n PHE 135 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.01 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 -2.37 0.00 0.00 3.13 0.00 -1.26 -2.40 120.51 117.61 1yx0 n ALA 136 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1yx0 n ALA 136 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 2.86 0.42 -2.67 0.00 -0.08 -1.26 -5.08 116.55 110.75 1yx0 n ASP 137 Ca 0.00 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.21 1yx0 n ASP 137 Cb 0.00 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.50 1yx0 n ASP 137 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 1yx0 n TYR 138 N -2.87 -3.48 -3.27 -0.67 4.02 -1.01 -5.13 117.16 104.75 1yx0 n TYR 138 Ca 0.00 -0.45 0.00 0.00 -0.01 0.00 0.00 57.90 57.44 1yx0 n TYR 138 Cb 0.44 -0.23 0.00 0.00 -0.02 0.00 0.00 39.34 39.53 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 2.75 5.21 3.13 2.72 0.00 -1.26 -4.04 105.19 113.70 1yx0 n GLY 139 Ca 0.05 -2.11 -0.36 0.00 0.00 0.00 0.00 46.02 43.60 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 -0.10 -0.50 -3.59 1.61 1.02 -1.26 -4.88 120.64 112.94 1yx0 n GLU 140 Ca 0.00 -0.13 -0.04 0.00 -0.02 0.00 0.00 57.16 56.97 1yx0 n GLU 140 Cb 0.00 -1.30 -0.02 0.00 -0.02 0.00 0.00 31.44 30.10 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1yx0 s ASP 141 N -1.36 -0.14 0.18 1.62 1.01 -1.26 -5.02 116.67 111.69 1yx0 s ASP 141 Ca 0.45 -0.03 0.02 0.00 0.71 0.00 0.00 52.55 53.70 1yx0 s ASP 141 Cb -0.05 0.17 0.04 0.00 1.01 0.00 0.00 42.92 44.09 1yx0 s ASP 141 CO 0.70 -0.28 1.41 1.55 0.21 0.00 0.00 175.17 178.76 1yx0 h PRO 142 N 2.00 0.24 -2.09 8.23 0.13 -2.03 -3.36 132.00 135.12 1yx0 h PRO 142 Ca -0.13 -0.23 -0.57 0.00 -0.87 0.00 0.00 66.00 64.20 1yx0 h PRO 142 Cb 1.18 0.06 -0.40 0.00 0.13 0.00 0.00 31.00 31.96 1yx0 h PRO 142 CO 0.24 0.93 -0.91 0.09 -0.23 0.00 0.00 178.00 178.12 1yx0 n ASN 143 N -3.72 1.83 -3.63 1.44 3.02 -1.26 -5.04 115.26 107.89 1yx0 n ASN 143 Ca -0.04 -3.07 -0.05 0.00 -0.03 0.00 0.00 54.58 51.40 1yx0 n ASN 143 Cb 0.76 -0.64 -0.07 0.00 -0.61 0.00 0.00 39.78 39.23 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 -1.97 -0.82 0.26 6.41 0.15 -1.26 -4.94 113.70 111.53 1yx0 s SER 144 Ca 0.38 1.29 0.00 0.00 0.70 0.00 0.00 55.95 58.32 1yx0 s SER 144 Cb 0.19 1.40 -0.00 0.00 -1.71 0.00 0.00 66.02 65.91 1yx0 s SER 144 CO -0.08 -0.20 0.01 1.33 1.20 0.00 0.00 173.24 175.50 1yx0 n VAL 145 N 4.23 0.00 -4.12 4.45 0.24 -0.50 -4.54 118.33 118.09 1yx0 n VAL 145 Ca -0.19 -1.23 -0.08 0.00 -2.04 0.00 0.00 64.34 60.80 1yx0 n VAL 145 Cb 0.58 0.26 -0.10 0.00 -1.47 0.00 0.00 33.84 33.11 1yx0 n VAL 145 CO 0.00 0.00 0.00 0.12 -2.14 0.00 0.00 176.83 174.81 1yx0 s PHE 146 N -1.98 0.68 -0.01 6.34 2.19 -1.24 -3.20 117.98 120.77 1yx0 s PHE 146 Ca 0.01 -1.13 0.02 0.00 0.33 0.00 0.00 56.93 56.15 1yx0 s PHE 146 Cb 0.00 -0.44 0.00 0.00 -1.31 0.00 0.00 43.02 41.27 1yx0 s PHE 146 CO 0.01 -0.43 -0.05 1.41 1.83 0.00 0.00 175.22 177.99 1yx0 s MET 147 N -3.97 0.50 0.10 10.12 -2.45 -1.22 -3.22 119.30 119.16 1yx0 s MET 147 Ca 0.15 -0.18 0.03 0.00 -1.25 0.00 0.00 55.69 54.43 1yx0 s MET 147 Cb 0.08 -0.50 -0.04 0.00 1.25 0.00 0.00 34.83 35.62 1yx0 s MET 147 CO -0.05 0.09 -0.08 -0.08 1.05 0.00 0.00 175.02 175.94 1yx0 s THR 148 N 0.06 0.82 -0.15 10.11 -1.32 -0.42 -4.08 115.64 120.65 1yx0 s THR 148 Ca -0.00 -1.75 0.01 0.00 -1.21 0.00 0.00 61.69 58.73 1yx0 s THR 148 Cb -0.04 -1.47 0.00 0.00 -1.51 0.00 0.00 72.50 69.48 1yx0 s THR 148 CO -0.00 -0.69 -0.16 -0.75 -2.21 0.00 0.00 174.62 170.80 1yx0 s LYS 149 N -3.21 3.19 -0.39 7.08 2.36 -1.03 -2.26 119.74 125.47 1yx0 s LYS 149 Ca 0.08 -0.76 -0.08 0.00 -2.55 0.00 0.00 55.97 52.66 1yx0 s LYS 149 Cb 0.00 -2.60 0.07 0.00 -1.05 0.00 0.00 37.83 34.25 1yx0 s LYS 149 CO -0.02 0.01 0.21 0.21 1.55 0.00 0.00 175.35 177.30 1yx0 s LYS 150 N 0.83 2.55 0.00 4.03 2.20 -1.26 -2.67 119.74 125.42 1yx0 s LYS 150 Ca -0.05 -1.41 0.06 0.00 -0.36 0.00 0.00 55.97 54.21 1yx0 s LYS 150 Cb -0.15 -3.67 0.38 0.00 -1.51 0.00 0.00 37.83 32.88 1yx0 s LYS 150 CO -0.01 -0.88 0.85 -0.11 -0.36 0.00 0.00 175.35 174.84