#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 1.18 -0.05 2.03 0.09 -1.25 -4.94 115.29 112.35 1yx0 s HIS 2 Ca 0.00 0.69 0.06 0.00 -0.00 0.00 0.00 55.06 55.81 1yx0 s HIS 2 Cb 0.00 -3.89 -0.01 0.00 -0.00 0.00 0.00 32.58 28.68 1yx0 s HIS 2 CO 0.00 -3.82 -0.24 0.42 -0.00 0.00 0.00 174.74 171.10 1yx0 s ILE 3 N 8.82 2.14 0.28 0.60 -1.09 -1.26 -2.01 121.20 128.67 1yx0 s ILE 3 Ca 0.99 -1.05 -0.01 0.00 -2.23 0.00 0.00 60.65 58.35 1yx0 s ILE 3 Cb -0.30 -1.77 -0.02 0.00 -1.58 0.00 0.00 42.46 38.79 1yx0 s ILE 3 CO 0.34 0.57 0.31 -0.54 -1.23 0.00 0.00 174.94 174.39 1yx0 s LYS 4 N -0.33 1.58 -0.12 2.79 1.02 -0.88 -4.96 119.74 118.84 1yx0 s LYS 4 Ca 0.01 -1.70 -0.04 0.00 0.02 0.00 0.00 55.97 54.26 1yx0 s LYS 4 Cb -0.12 0.36 -0.03 0.00 -0.52 0.00 0.00 37.83 37.51 1yx0 s LYS 4 CO 0.02 -0.60 0.02 0.42 -0.92 0.00 0.00 175.35 174.29 1yx0 s ILE 5 N -3.67 4.49 -0.18 2.17 1.01 -1.26 -0.68 121.20 123.09 1yx0 s ILE 5 Ca 0.35 -0.16 -0.06 0.00 0.00 0.00 0.00 60.65 60.78 1yx0 s ILE 5 Cb 0.03 -2.94 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1yx0 s ILE 5 CO 0.18 0.55 0.02 -0.62 0.00 0.00 0.00 174.94 175.07 1yx0 s ASP 6 N -0.40 5.18 -0.32 3.58 2.15 0.03 -4.74 116.67 122.15 1yx0 s ASP 6 Ca 0.08 -0.05 0.02 0.00 0.43 0.00 0.00 52.55 53.03 1yx0 s ASP 6 Cb -0.12 -1.87 0.10 0.00 -0.30 0.00 0.00 42.92 40.72 1yx0 s ASP 6 CO 0.02 0.15 0.06 1.51 -0.17 0.00 0.00 175.17 176.74 1yx0 s ASP 7 N 0.51 4.41 0.43 -0.34 3.84 -1.26 -3.93 116.67 120.33 1yx0 s ASP 7 Ca 0.00 -1.87 0.00 0.00 -0.00 0.00 0.00 52.55 50.68 1yx0 s ASP 7 Cb -0.13 -1.30 0.00 0.00 -1.38 0.00 0.00 42.92 40.11 1yx0 s ASP 7 CO 0.02 -0.38 0.00 0.18 -0.00 0.00 0.00 175.17 174.99 1yx0 n LEU 8 N 4.51 -0.75 -0.66 2.11 4.32 -1.26 -4.99 117.00 120.28 1yx0 n LEU 8 Ca 0.00 1.73 0.09 0.00 -0.02 0.00 0.00 56.01 57.81 1yx0 n LEU 8 Cb 0.42 -3.87 -0.03 0.00 -1.62 0.00 0.00 43.42 38.32 1yx0 n LEU 8 CO 0.18 -2.34 -0.20 1.07 -1.22 0.00 0.00 177.39 174.88 1yx0 n THR 9 N -3.95 0.00 -0.23 -5.08 5.66 -1.26 -5.09 114.28 104.34 1yx0 n THR 9 Ca -0.04 0.20 0.00 0.00 -3.05 0.00 0.00 64.05 61.16 1yx0 n THR 9 Cb 0.64 -0.42 0.00 0.00 -1.55 0.00 0.00 70.33 68.99 1yx0 n THR 9 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1yx0 n GLY 10 N -3.24 -0.03 0.16 1.09 0.00 -1.26 -4.63 105.19 97.28 1yx0 n GLY 10 Ca -0.02 -0.90 -0.10 0.00 0.00 0.00 0.00 46.02 45.01 1yx0 n GLY 10 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1yx0 h ARG 11 N 0.00 -0.29 0.00 1.61 3.08 -1.98 0.79 114.38 117.59 1yx0 h ARG 11 Ca 0.00 0.02 -0.03 0.00 0.07 0.00 0.00 59.98 60.04 1yx0 h ARG 11 Cb 0.00 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.11 1yx0 h ARG 11 CO 0.00 0.04 -0.16 1.96 -1.07 0.00 0.00 179.97 180.74 1yx0 h GLN 12 N -0.95 0.00 -0.08 0.04 7.50 -1.97 1.18 115.11 120.82 1yx0 h GLN 12 Ca -0.03 0.00 -0.23 0.00 0.50 0.00 0.00 58.65 58.89 1yx0 h GLN 12 Cb 0.47 0.00 0.01 0.00 0.05 0.00 0.00 27.48 28.02 1yx0 h GLN 12 CO 0.05 0.16 -0.84 0.28 -1.50 0.00 0.00 178.83 176.99 1yx0 h VAL 13 N 0.00 1.30 -0.03 -0.54 2.07 -1.89 -2.46 116.25 114.70 1yx0 h VAL 13 Ca -0.00 -2.07 -0.07 0.00 0.82 0.00 0.00 66.70 65.38 1yx0 h VAL 13 Cb 0.30 2.20 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1yx0 h VAL 13 CO 0.02 0.64 -0.26 0.58 0.02 0.00 0.00 177.57 178.58 1yx0 h VAL 14 N 0.40 1.49 -0.90 2.57 2.07 -0.12 -2.98 116.25 118.78 1yx0 h VAL 14 Ca -0.08 -1.80 0.20 0.00 0.82 0.00 0.00 66.70 65.83 1yx0 h VAL 14 Cb 1.49 2.56 -0.07 0.00 -1.52 0.00 0.00 31.29 33.74 1yx0 h VAL 14 CO 0.17 0.50 0.59 0.28 0.02 0.00 0.00 177.57 179.13 1yx0 h SER 15 N -0.37 0.46 -0.23 0.57 0.02 0.13 0.69 113.55 114.82 1yx0 h SER 15 Ca -0.02 0.05 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 1yx0 h SER 15 Cb 0.95 -0.04 -0.02 0.00 0.14 0.00 0.00 62.40 63.44 1yx0 h SER 15 CO 0.05 0.19 -0.20 -0.07 -1.14 0.00 0.00 176.83 175.66 1yx0 h LEU 16 N 0.46 0.68 -0.06 5.07 4.07 -1.40 -0.61 115.31 123.52 1yx0 h LEU 16 Ca 0.47 -0.23 -0.07 0.00 0.08 0.00 0.00 57.88 58.14 1yx0 h LEU 16 Cb 1.10 -0.18 0.00 0.00 1.08 0.00 0.00 40.66 42.66 1yx0 h LEU 16 CO -0.19 0.87 -0.22 0.58 -1.08 0.00 0.00 178.44 178.40 1yx0 h VAL 17 N 0.60 1.44 -0.82 1.22 2.07 0.26 -3.10 116.25 117.92 1yx0 h VAL 17 Ca 0.09 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 66.08 1yx0 h VAL 17 Cb 0.66 2.33 -0.06 0.00 -1.52 0.00 0.00 31.29 32.70 1yx0 h VAL 17 CO 0.05 0.46 0.53 0.78 0.02 0.00 0.00 177.57 179.41 1yx0 h ASN 18 N -0.25 0.68 -4.61 0.57 2.35 0.02 -3.48 115.58 110.86 1yx0 h ASN 18 Ca -0.01 0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.76 1yx0 h ASN 18 Cb 0.86 -0.12 -0.03 0.00 0.05 0.00 0.00 38.32 39.07 1yx0 h ASN 18 CO 0.05 0.40 -1.04 1.21 -1.65 0.00 0.00 177.43 176.40 1yx0 n GLU 19 N -4.51 -4.53 -0.08 0.81 0.00 -0.25 -4.88 120.64 107.21 1yx0 n GLU 19 Ca 0.14 3.37 -0.14 0.00 0.00 0.00 0.00 57.16 60.52 1yx0 n GLU 19 Cb 0.33 -4.40 -0.14 0.00 0.00 0.00 0.00 31.44 27.23 1yx0 n GLU 19 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.13 178.71 1yx0 n HIS 20 N 1.61 0.40 0.29 4.31 -0.00 -1.26 -4.45 115.22 116.13 1yx0 n HIS 20 Ca -0.11 0.11 -0.18 0.00 -0.00 0.00 0.00 57.72 57.54 1yx0 n HIS 20 Cb 0.17 -1.06 -0.09 0.00 -0.00 0.00 0.00 29.99 29.00 1yx0 n HIS 20 CO 0.00 0.00 0.00 -0.07 -0.00 0.00 0.00 176.34 176.27 1yx0 h LEU 21 N 0.01 -1.31 -7.63 0.27 4.07 -1.94 -3.44 115.31 105.34 1yx0 h LEU 21 Ca -0.49 0.10 -0.17 0.00 0.08 0.00 0.00 57.88 57.40 1yx0 h LEU 21 Cb 2.06 0.43 -0.24 0.00 1.08 0.00 0.00 40.66 43.98 1yx0 h LEU 21 CO 0.01 -0.65 -0.51 -2.28 -1.08 0.00 0.00 178.44 173.93 1yx0 s HIS 22 N -5.90 -0.10 0.08 1.13 2.46 -1.26 -5.01 115.29 106.69 1yx0 s HIS 22 Ca -0.18 0.23 0.00 0.00 0.47 0.00 0.00 55.06 55.59 1yx0 s HIS 22 Cb 0.05 0.02 0.00 0.00 -0.13 0.00 0.00 32.58 32.52 1yx0 s HIS 22 CO 0.61 -0.16 0.00 -1.13 -2.47 0.00 0.00 174.74 171.59 1yx0 n SER 23 N 2.43 -0.72 0.00 9.88 3.41 -1.26 -4.75 113.62 122.61 1yx0 n SER 23 Ca -0.16 0.43 0.00 0.00 -0.26 0.00 0.00 58.87 58.88 1yx0 n SER 23 Cb 0.58 0.97 0.00 0.00 -0.26 0.00 0.00 64.21 65.50 1yx0 n SER 23 CO 0.00 0.00 0.00 0.80 -0.16 0.00 0.00 175.04 175.68 1yx0 n MET 24 N -2.82 0.00 -3.61 4.33 1.56 -1.26 -4.61 117.12 110.71 1yx0 n MET 24 Ca 0.00 0.00 -0.07 0.00 -0.27 0.00 0.00 57.70 57.36 1yx0 n MET 24 Cb 0.00 0.00 -0.05 0.00 2.15 0.00 0.00 33.22 35.32 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 0.00 0.00 -0.37 1.12 -1.32 -1.26 -5.07 115.64 108.74 1yx0 s THR 25 Ca 0.00 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 60.59 1yx0 s THR 25 Cb 0.00 -1.00 0.40 0.00 -1.51 0.00 0.00 72.50 70.39 1yx0 s THR 25 CO 0.00 0.00 1.44 0.00 -2.21 0.00 0.00 174.62 173.85 1yx0 n LEU 26 N 0.77 -1.65 -3.78 9.08 -0.00 -1.26 -5.14 117.00 115.03 1yx0 n LEU 26 Ca -0.06 -3.35 -0.06 0.00 -0.00 0.00 0.00 56.01 52.54 1yx0 n LEU 26 Cb 0.58 0.06 -0.02 0.00 -0.00 0.00 0.00 43.42 44.04 1yx0 n LEU 26 CO 0.11 1.81 0.56 -0.04 -0.00 0.00 0.00 177.39 179.82 1yx0 s MET 27 N 0.11 1.52 -0.33 1.47 -1.94 -1.26 -5.13 119.30 113.73 1yx0 s MET 27 Ca 0.16 -0.82 0.03 0.00 -1.71 0.00 0.00 55.69 53.35 1yx0 s MET 27 Cb 0.42 0.53 0.10 0.00 2.01 0.00 0.00 34.83 37.89 1yx0 s MET 27 CO -0.11 -0.69 0.06 -1.54 -0.01 0.00 0.00 175.02 172.73 1yx0 s SER 28 N -2.90 4.54 -0.26 3.03 1.04 -1.26 -5.09 113.70 112.80 1yx0 s SER 28 Ca 0.11 -1.99 -0.29 0.00 0.48 0.00 0.00 55.95 54.26 1yx0 s SER 28 Cb -0.04 -1.40 -0.01 0.00 0.10 0.00 0.00 66.02 64.68 1yx0 s SER 28 CO 0.03 -0.39 1.33 -2.16 0.98 0.00 0.00 173.24 173.03 1yx0 s PRO 29 N 1.12 3.98 0.00 4.02 0.04 -1.26 -4.90 135.00 137.99 1yx0 s PRO 29 Ca 0.10 1.39 0.00 0.00 0.04 0.00 0.00 61.00 62.53 1yx0 s PRO 29 Cb -0.18 -3.87 0.00 0.00 0.04 0.00 0.00 34.50 30.49 1yx0 s PRO 29 CO -0.13 -1.04 0.00 -0.35 0.04 0.00 0.00 177.00 175.52 1yx0 n PRO 30 N 7.19 -0.17 -2.13 0.56 -0.04 -1.26 -4.86 135.00 134.29 1yx0 n PRO 30 Ca 0.15 0.00 -0.29 0.00 -0.04 0.00 0.00 63.50 63.32 1yx0 n PRO 30 Cb 0.46 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.87 1yx0 n PRO 30 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1yx0 s GLU 31 N -2.34 2.72 0.00 0.54 2.12 -1.26 -4.79 118.70 115.69 1yx0 s GLU 31 Ca 0.00 -0.46 0.00 0.00 0.36 0.00 0.00 54.97 54.87 1yx0 s GLU 31 Cb 0.00 -5.12 0.00 0.00 0.26 0.00 0.00 34.13 29.27 1yx0 s GLU 31 CO 0.00 -3.21 0.00 0.45 -0.54 0.00 0.00 175.26 171.96 1yx0 n SER 32 N 13.18 0.00 -3.30 -1.70 2.88 -1.26 -5.16 113.62 118.25 1yx0 n SER 32 Ca 0.39 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.93 1yx0 n SER 32 Cb 0.48 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.94 1yx0 n SER 32 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1yx0 n ILE 33 N -0.21 0.00 -1.50 2.46 0.13 -1.26 -4.50 119.36 114.48 1yx0 n ILE 33 Ca 0.00 0.00 -0.36 0.00 -1.10 0.00 0.00 62.75 61.29 1yx0 n ILE 33 Cb 0.00 0.00 -0.16 0.00 -0.84 0.00 0.00 39.64 38.64 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 2.80 0.00 0.00 176.55 180.76 1yx0 n HIS 34 N -2.36 0.47 -3.36 9.51 8.25 -1.26 -4.73 115.22 121.73 1yx0 n HIS 34 Ca 0.00 0.29 0.03 0.00 -0.26 0.00 0.00 57.72 57.78 1yx0 n HIS 34 Cb 0.00 -1.98 -0.05 0.00 1.12 0.00 0.00 29.99 29.08 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 s ALA 35 N 7.18 -3.09 -0.08 -1.41 0.00 -1.26 -5.05 121.76 118.06 1yx0 s ALA 35 Ca 1.34 1.84 0.05 0.00 0.00 0.00 0.00 51.96 55.19 1yx0 s ALA 35 Cb -1.13 -2.20 -0.08 0.00 0.00 0.00 0.00 23.12 19.71 1yx0 s ALA 35 CO 0.50 -0.70 0.00 1.47 0.00 0.00 0.00 175.76 177.03 1yx0 n LEU 36 N 3.90 0.68 -1.24 0.00 -0.00 -1.26 -4.25 117.00 114.82 1yx0 n LEU 36 Ca -0.11 -0.01 0.00 0.00 -0.00 0.00 0.00 56.01 55.89 1yx0 n LEU 36 Cb 0.56 0.07 0.00 0.00 -0.00 0.00 0.00 43.42 44.05 1yx0 n LEU 36 CO -0.00 0.29 0.00 0.61 -0.00 0.00 0.00 177.39 178.29 1yx0 n GLY 37 N 2.66 -0.25 0.00 1.47 0.00 -1.26 -4.75 105.19 103.06 1yx0 n GLY 37 Ca -0.13 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.63 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 -0.64 0.00 -3.92 0.99 7.99 -1.26 -4.78 117.00 115.37 1yx0 n LEU 38 Ca 0.00 0.15 -0.35 0.00 -0.01 0.00 0.00 56.01 55.80 1yx0 n LEU 38 Cb 0.23 0.00 0.01 0.00 -0.11 0.00 0.00 43.42 43.55 1yx0 n LEU 38 CO 0.00 0.00 -0.20 1.21 -1.51 0.00 0.00 177.39 176.89 1yx0 n GLU 39 N -0.32 -0.90 0.00 3.23 2.13 -1.26 -4.66 120.64 118.86 1yx0 n GLU 39 Ca 0.00 0.43 0.00 0.00 0.66 0.00 0.00 57.16 58.25 1yx0 n GLU 39 Cb 0.00 -2.47 0.00 0.00 0.27 0.00 0.00 31.44 29.24 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.17 -0.41 0.00 0.00 177.13 177.89 1yx0 n LYS 40 N -3.83 0.00 -0.96 5.31 4.81 -1.26 -4.95 118.16 117.29 1yx0 n LYS 40 Ca -0.21 0.00 -0.20 0.00 -0.87 0.00 0.00 58.31 57.03 1yx0 n LYS 40 Cb 0.63 0.00 0.05 0.00 0.02 0.00 0.00 35.03 35.72 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 -0.77 6.63 -2.79 3.14 4.32 -1.26 -4.41 117.00 121.86 1yx0 n LEU 41 Ca 0.00 -3.44 -0.07 0.00 -0.02 0.00 0.00 56.01 52.48 1yx0 n LEU 41 Cb 0.00 -1.03 0.02 0.00 -1.62 0.00 0.00 43.42 40.79 1yx0 n LEU 41 CO 0.00 1.25 0.12 -1.14 -1.22 0.00 0.00 177.39 176.41 1yx0 n ARG 42 N 0.12 0.63 -3.18 3.23 0.63 -1.26 -5.05 116.66 111.77 1yx0 n ARG 42 Ca 0.35 -2.00 0.00 0.00 -0.92 0.00 0.00 57.85 55.29 1yx0 n ARG 42 Cb 0.61 -1.47 0.00 0.00 0.45 0.00 0.00 32.46 32.05 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1yx0 n GLY 43 N 2.39 -1.38 0.17 5.14 0.00 -1.26 -4.71 105.19 105.54 1yx0 n GLY 43 Ca 0.15 -1.02 -0.18 0.00 0.00 0.00 0.00 46.02 44.98 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 0.56 -1.31 1.61 0.13 -2.01 -3.16 132.00 127.83 1yx0 h PRO 44 Ca 0.00 -0.54 0.38 0.00 -0.87 0.00 0.00 66.00 64.96 1yx0 h PRO 44 Cb 0.00 0.14 -0.05 0.00 0.13 0.00 0.00 31.00 31.22 1yx0 h PRO 44 CO 0.00 1.17 0.95 1.49 -0.23 0.00 0.00 178.00 181.37 1yx0 h GLU 45 N 0.16 0.00 -5.96 0.86 4.57 -1.95 -3.36 114.58 108.89 1yx0 h GLU 45 Ca -0.08 0.00 -0.68 0.00 -1.18 0.00 0.00 59.36 57.43 1yx0 h GLU 45 Cb 1.38 0.00 -0.24 0.00 -0.16 0.00 0.00 28.75 29.73 1yx0 h GLU 45 CO 0.14 0.00 -0.76 0.42 -1.18 0.00 0.00 179.01 177.63 1yx0 s ILE 46 N -4.92 3.08 -0.08 2.32 1.01 -1.19 -4.82 121.20 116.61 1yx0 s ILE 46 Ca -0.05 -0.69 0.02 0.00 0.00 0.00 0.00 60.65 59.93 1yx0 s ILE 46 Cb 0.23 -2.24 -0.02 0.00 0.01 0.00 0.00 42.46 40.44 1yx0 s ILE 46 CO 0.81 0.57 -0.14 -0.89 0.00 0.00 0.00 174.94 175.29 1yx0 s THR 47 N -0.35 3.01 -0.11 2.92 2.01 -1.26 -4.50 115.64 117.36 1yx0 s THR 47 Ca 0.04 -0.72 0.02 0.00 0.31 0.00 0.00 61.69 61.34 1yx0 s THR 47 Cb -0.12 -2.20 -0.01 0.00 0.01 0.00 0.00 72.50 70.17 1yx0 s THR 47 CO 0.02 0.57 -0.19 0.12 -0.69 0.00 0.00 174.62 174.45 1yx0 s PHE 48 N -0.30 2.67 -0.08 4.92 2.19 -1.25 -3.39 117.98 122.74 1yx0 s PHE 48 Ca 0.02 -0.85 -0.03 0.00 0.33 0.00 0.00 56.93 56.41 1yx0 s PHE 48 Cb -0.13 -1.76 -0.04 0.00 -1.31 0.00 0.00 43.02 39.78 1yx0 s PHE 48 CO 0.03 -0.31 0.06 -1.58 1.83 0.00 0.00 175.22 175.24 1yx0 s TRP 49 N 0.31 3.31 -0.06 10.12 0.51 -0.41 -0.79 118.94 131.94 1yx0 s TRP 49 Ca -0.15 0.29 0.00 0.00 -2.12 0.00 0.00 56.10 54.13 1yx0 s TRP 49 Cb -0.17 -1.82 0.02 0.00 -0.81 0.00 0.00 33.47 30.69 1yx0 s TRP 49 CO 0.07 0.57 -0.03 -1.12 -0.51 0.00 0.00 176.95 175.92 1yx0 s SER 50 N -1.11 1.28 -0.11 2.95 0.01 0.15 -1.82 113.70 115.04 1yx0 s SER 50 Ca 0.16 -0.13 -0.18 0.00 1.31 0.00 0.00 55.95 57.11 1yx0 s SER 50 Cb -0.12 -0.49 -0.04 0.00 0.21 0.00 0.00 66.02 65.58 1yx0 s SER 50 CO 0.05 -0.10 0.47 0.00 0.41 0.00 0.00 173.24 174.07 1yx0 s ALA 51 N 1.32 3.49 -0.04 1.44 0.00 0.14 -2.07 121.76 126.04 1yx0 s ALA 51 Ca -0.05 -0.19 0.05 0.00 0.00 0.00 0.00 51.96 51.78 1yx0 s ALA 51 Cb -0.14 -2.63 -0.01 0.00 0.00 0.00 0.00 23.12 20.35 1yx0 s ALA 51 CO -0.02 0.04 -0.18 -1.58 0.00 0.00 0.00 175.76 174.01 1yx0 s TRP 52 N 0.50 1.80 -0.44 0.00 0.52 -0.85 0.14 118.94 120.61 1yx0 s TRP 52 Ca 0.26 -0.48 0.06 0.00 0.02 0.00 0.00 56.10 55.95 1yx0 s TRP 52 Cb -0.15 -1.20 0.20 0.00 -1.15 0.00 0.00 33.47 31.17 1yx0 s TRP 52 CO 0.11 -0.14 0.52 -1.91 0.02 0.00 0.00 176.95 175.54 1yx0 n GLU 53 N 3.01 0.44 0.00 4.98 4.07 -1.17 -3.89 120.64 128.08 1yx0 n GLU 53 Ca -0.17 -2.80 0.00 0.00 -0.06 0.00 0.00 57.16 54.13 1yx0 n GLU 53 Cb 0.53 -1.50 0.00 0.00 -0.06 0.00 0.00 31.44 30.41 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 2.39 0.41 0.56 8.31 0.00 -1.26 -4.41 105.19 111.19 1yx0 n GLY 54 Ca 0.23 -1.38 0.05 0.00 0.00 0.00 0.00 46.02 44.92 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 2.67 -4.33 1.61 10.43 -1.26 -4.99 116.55 120.68 1yx0 n ASP 55 Ca 0.00 -1.89 -0.18 0.00 2.57 0.00 0.00 54.79 55.29 1yx0 n ASP 55 Cb 0.00 -0.17 -0.10 0.00 1.84 0.00 0.00 41.12 42.69 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 -0.97 1.28 -0.00 -1.24 -1.05 -1.26 -5.10 118.70 110.35 1yx0 s GLU 56 Ca 0.20 -1.56 -0.30 0.00 -0.15 0.00 0.00 54.97 53.15 1yx0 s GLU 56 Cb 0.11 -1.03 -0.06 0.00 -0.44 0.00 0.00 34.13 32.71 1yx0 s GLU 56 CO 0.14 0.17 1.46 -0.51 0.95 0.00 0.00 175.26 177.47 1yx0 s LEU 57 N -3.29 4.32 0.00 1.83 2.01 -1.26 -3.04 118.68 119.25 1yx0 s LEU 57 Ca 0.21 2.17 0.16 0.00 0.01 0.00 0.00 54.13 56.68 1yx0 s LEU 57 Cb -0.00 -3.56 0.56 0.00 0.01 0.00 0.00 46.19 43.20 1yx0 s LEU 57 CO 0.06 -0.77 1.41 0.00 1.01 0.00 0.00 176.35 178.06 1yx0 n ALA 58 N 5.65 2.49 0.00 4.21 0.00 0.38 -4.83 120.51 128.41 1yx0 n ALA 58 Ca 0.14 -0.50 0.00 0.00 0.00 0.00 0.00 53.44 53.08 1yx0 n ALA 58 Cb 0.43 -1.05 0.00 0.00 0.00 0.00 0.00 19.45 18.83 1yx0 n ALA 58 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1yx0 n GLY 59 N 1.04 4.13 3.18 0.00 0.00 -0.78 -3.66 105.19 109.11 1yx0 n GLY 59 Ca 0.13 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.45 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 0.16 -1.90 3.68 0.00 0.00 -0.76 -4.32 105.19 102.06 1yx0 n GLY 61 Ca -0.16 -1.15 -0.10 0.00 0.00 0.00 0.00 46.02 44.61 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 -1.91 -0.28 -0.28 4.61 0.00 0.10 -1.29 121.76 122.71 1yx0 s ALA 62 Ca 0.00 -0.93 -0.05 0.00 0.00 0.00 0.00 51.96 50.98 1yx0 s ALA 62 Cb 0.00 0.91 0.15 0.00 0.00 0.00 0.00 23.12 24.18 1yx0 s ALA 62 CO 0.00 -0.91 0.56 -0.48 0.00 0.00 0.00 175.76 174.93 1yx0 s LEU 63 N -3.09 -1.11 0.09 0.00 0.05 -1.22 -0.70 118.68 112.71 1yx0 s LEU 63 Ca 0.20 1.05 -0.17 0.00 0.05 0.00 0.00 54.13 55.27 1yx0 s LEU 63 Cb -0.03 1.97 -0.07 0.00 -2.05 0.00 0.00 46.19 46.01 1yx0 s LEU 63 CO 0.13 -0.25 0.54 -0.75 -0.55 0.00 0.00 176.35 175.47 1yx0 s LYS 64 N 2.80 4.08 0.70 1.48 2.20 -1.24 -4.48 119.74 125.27 1yx0 s LYS 64 Ca 0.08 0.60 -0.16 0.00 -0.36 0.00 0.00 55.97 56.13 1yx0 s LYS 64 Cb -0.14 -3.13 0.02 0.00 -1.51 0.00 0.00 37.83 33.08 1yx0 s LYS 64 CO -0.19 0.59 1.22 -1.83 -0.36 0.00 0.00 175.35 174.79 1yx0 s GLU 65 N -1.40 2.31 0.03 4.03 -1.05 -1.26 -2.91 118.70 118.45 1yx0 s GLU 65 Ca 0.31 1.82 0.00 0.00 -0.15 0.00 0.00 54.97 56.96 1yx0 s GLU 65 Cb -0.17 -1.85 0.00 0.00 -0.44 0.00 0.00 34.13 31.67 1yx0 s GLU 65 CO 0.18 -1.72 0.00 -0.11 0.95 0.00 0.00 175.26 174.56 1yx0 n LEU 66 N -2.44 0.02 -4.45 1.83 7.94 -1.14 -4.86 117.00 113.90 1yx0 n LEU 66 Ca 0.14 0.05 -0.24 0.00 -1.11 0.00 0.00 56.01 54.84 1yx0 n LEU 66 Cb 0.50 0.03 -0.08 0.00 0.53 0.00 0.00 43.42 44.40 1yx0 n LEU 66 CO 0.47 -0.54 -0.15 -1.81 -1.11 0.00 0.00 177.39 174.25 1yx0 s ASP 67 N -4.39 2.56 0.52 1.96 -0.00 -0.60 -4.96 116.67 111.75 1yx0 s ASP 67 Ca 0.00 -1.75 0.16 0.00 -0.00 0.00 0.00 52.55 50.96 1yx0 s ASP 67 Cb 0.00 0.59 1.26 0.00 -0.00 0.00 0.00 42.92 44.78 1yx0 s ASP 67 CO 0.00 -1.02 2.15 0.71 -0.00 0.00 0.00 175.17 177.01 1yx0 h THR 68 N 1.84 1.00 -0.50 -1.27 1.35 -2.01 -2.92 112.91 110.40 1yx0 h THR 68 Ca -0.31 -0.01 -0.30 0.00 -0.55 0.00 0.00 66.41 65.24 1yx0 h THR 68 Cb 1.26 1.00 -0.41 0.00 -1.73 0.00 0.00 68.15 68.28 1yx0 h THR 68 CO 0.48 0.00 -1.07 0.54 -0.25 0.00 0.00 175.52 175.23 1yx0 n ARG 69 N -4.54 2.07 -3.78 4.72 1.74 -1.26 -4.84 116.66 110.77 1yx0 n ARG 69 Ca -0.03 -3.63 -0.13 0.00 -0.77 0.00 0.00 57.85 53.29 1yx0 n ARG 69 Cb 0.09 -1.73 -0.11 0.00 -1.02 0.00 0.00 32.46 29.69 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 -3.76 -0.29 0.22 -1.55 2.46 -1.10 -1.78 115.29 109.49 1yx0 s HIS 70 Ca 0.31 0.70 -0.07 0.00 0.47 0.00 0.00 55.06 56.48 1yx0 s HIS 70 Cb 0.34 0.10 -0.02 0.00 -0.13 0.00 0.00 32.58 32.86 1yx0 s HIS 70 CO -0.02 -0.15 0.30 0.20 -2.47 0.00 0.00 174.74 172.60 1yx0 s GLY 71 N 0.10 1.00 0.35 1.59 0.00 -1.24 -1.56 107.32 107.56 1yx0 s GLY 71 Ca -0.00 -1.30 0.04 0.00 0.00 0.00 0.00 44.72 43.46 1yx0 s GLY 71 CO 0.00 -1.02 0.17 -1.83 0.00 0.00 0.00 173.10 170.43 1yx0 s GLU 72 N -4.08 1.76 -0.27 2.90 -1.05 -1.14 -1.49 118.70 115.33 1yx0 s GLU 72 Ca 0.31 -2.04 -0.02 0.00 -0.15 0.00 0.00 54.97 53.07 1yx0 s GLU 72 Cb 0.03 -0.22 0.03 0.00 -0.44 0.00 0.00 34.13 33.54 1yx0 s GLU 72 CO 0.11 -0.50 -0.03 0.42 0.95 0.00 0.00 175.26 176.20 1yx0 s ILE 73 N -3.41 2.99 -0.29 1.83 -1.09 -1.18 -3.64 121.20 116.41 1yx0 s ILE 73 Ca 0.32 -1.12 -0.09 0.00 -2.23 0.00 0.00 60.65 57.54 1yx0 s ILE 73 Cb 0.03 -2.59 -0.02 0.00 -1.58 0.00 0.00 42.46 38.31 1yx0 s ILE 73 CO 0.18 0.09 0.12 -0.54 -1.23 0.00 0.00 174.94 173.57 1yx0 s LYS 74 N 1.31 3.50 0.28 2.79 -0.14 0.12 -4.59 119.74 123.02 1yx0 s LYS 74 Ca -0.01 -0.60 0.00 0.00 -1.36 0.00 0.00 55.97 54.00 1yx0 s LYS 74 Cb -0.18 -3.48 0.00 0.00 -1.68 0.00 0.00 37.83 32.49 1yx0 s LYS 74 CO -0.03 -0.31 0.00 0.45 -0.76 0.00 0.00 175.35 174.70 1yx0 n SER 75 N 4.97 -7.69 -3.15 2.83 2.88 -1.26 0.02 113.62 112.21 1yx0 n SER 75 Ca -0.15 1.03 0.05 0.00 -1.33 0.00 0.00 58.87 58.48 1yx0 n SER 75 Cb 0.50 -3.68 -0.01 0.00 -0.75 0.00 0.00 64.21 60.28 1yx0 n SER 75 CO 0.00 0.00 0.00 -0.32 -1.23 0.00 0.00 175.04 173.49 1yx0 s MET 76 N -2.45 0.21 0.08 -1.46 0.00 -1.26 -2.76 119.30 111.65 1yx0 s MET 76 Ca 0.00 0.26 -0.09 0.00 0.00 0.00 0.00 55.69 55.86 1yx0 s MET 76 Cb 0.00 0.13 0.00 0.00 0.00 0.00 0.00 34.83 34.96 1yx0 s MET 76 CO 0.00 -0.33 0.20 1.03 0.00 0.00 0.00 175.02 175.92 1yx0 s ARG 77 N 2.94 0.83 0.15 4.11 3.00 -1.26 -5.07 118.95 123.64 1yx0 s ARG 77 Ca 0.16 -0.89 -0.09 0.00 0.00 0.00 0.00 55.73 54.91 1yx0 s ARG 77 Cb -0.06 0.34 -0.06 0.00 0.00 0.00 0.00 34.95 35.17 1yx0 s ARG 77 CO -0.19 -0.26 0.45 0.99 0.00 0.00 0.00 175.30 176.29 1yx0 s THR 78 N -3.64 5.05 0.23 0.02 2.01 -1.26 -4.52 115.64 113.52 1yx0 s THR 78 Ca 0.03 0.36 -0.16 0.00 0.31 0.00 0.00 61.69 62.22 1yx0 s THR 78 Cb 0.04 -3.64 0.25 0.00 0.01 0.00 0.00 72.50 69.16 1yx0 s THR 78 CO -0.10 0.10 1.57 -1.28 -0.69 0.00 0.00 174.62 174.22 1yx0 h SER 79 N 3.07 -1.22 0.00 3.53 0.87 -1.95 -3.36 113.55 114.50 1yx0 h SER 79 Ca -0.47 0.28 -0.08 0.00 -1.23 0.00 0.00 61.79 60.28 1yx0 h SER 79 Cb 1.18 0.66 -0.08 0.00 -0.44 0.00 0.00 62.40 63.72 1yx0 h SER 79 CO 0.69 -0.29 -0.16 0.00 -0.53 0.00 0.00 176.83 176.54 1yx0 n ALA 80 N -3.38 1.15 -3.23 6.23 0.00 -1.26 -4.96 120.51 115.06 1yx0 n ALA 80 Ca 0.09 -0.46 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1yx0 n ALA 80 Cb 0.40 -0.46 -0.03 0.00 0.00 0.00 0.00 19.45 19.36 1yx0 n ALA 80 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1yx0 n SER 81 N -0.38 -1.29 -2.82 0.00 7.64 -1.26 -4.70 113.62 110.81 1yx0 n SER 81 Ca -0.13 -0.13 -0.01 0.00 1.01 0.00 0.00 58.87 59.61 1yx0 n SER 81 Cb 0.59 -1.21 0.05 0.00 -1.01 0.00 0.00 64.21 62.63 1yx0 n SER 81 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1yx0 n HIS 82 N -3.05 1.17 -4.30 1.43 -0.00 -1.26 -5.09 115.22 104.12 1yx0 n HIS 82 Ca 0.04 -2.17 -0.19 0.00 0.46 0.00 0.00 57.72 55.86 1yx0 n HIS 82 Cb 0.48 -0.20 -0.11 0.00 -0.12 0.00 0.00 29.99 30.05 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 -3.77 2.47 -0.40 0.27 0.20 -1.26 -5.11 118.68 111.07 1yx0 s LEU 83 Ca 0.27 -0.90 0.03 0.00 0.69 0.00 0.00 54.13 54.22 1yx0 s LEU 83 Cb 0.33 -0.66 0.11 0.00 -0.43 0.00 0.00 46.19 45.54 1yx0 s LEU 83 CO -0.04 -0.13 0.14 -0.13 -0.29 0.00 0.00 176.35 175.90 1yx0 s ARG 84 N -3.05 1.71 0.00 1.98 1.81 -1.26 -4.71 118.95 115.43 1yx0 s ARG 84 Ca 0.15 -2.09 0.00 0.00 -1.72 0.00 0.00 55.73 52.07 1yx0 s ARG 84 Cb -0.03 -3.30 0.00 0.00 -0.45 0.00 0.00 34.95 31.17 1yx0 s ARG 84 CO 0.05 -1.01 0.00 1.17 -0.68 0.00 0.00 175.30 174.83 1yx0 n LYS 85 N 3.97 0.00 0.00 3.54 3.00 -1.26 -5.10 118.16 122.31 1yx0 n LYS 85 Ca 0.04 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.35 1yx0 n LYS 85 Cb 0.39 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.42 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1yx0 n GLY 86 N 0.00 1.38 0.31 3.14 0.00 -1.26 -4.81 105.19 103.96 1yx0 n GLY 86 Ca 0.00 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.24 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 -0.14 1.61 2.07 -1.93 0.34 116.25 118.19 1yx0 h VAL 87 Ca 0.00 -0.33 -0.06 0.00 0.82 0.00 0.00 66.70 67.13 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 -0.18 0.00 0.02 0.00 0.00 177.57 177.41 1yx0 h ALA 88 N -1.33 1.43 -0.16 1.67 0.00 -1.84 -1.22 119.26 117.81 1yx0 h ALA 88 Ca -0.08 -0.25 -0.02 0.00 0.00 0.00 0.00 54.91 54.57 1yx0 h ALA 88 Cb 0.58 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.28 1yx0 h ALA 88 CO 0.13 0.40 0.03 0.87 0.00 0.00 0.00 179.25 180.68 1yx0 h LYS 89 N 0.22 0.25 -0.13 0.00 1.57 -1.90 1.03 116.57 117.61 1yx0 h LYS 89 Ca 0.04 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.76 1yx0 h LYS 89 Cb 0.46 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.73 1yx0 h LYS 89 CO 0.03 0.41 0.08 1.96 -0.57 0.00 0.00 179.45 181.36 1yx0 h GLN 90 N 0.06 0.18 0.41 3.15 1.08 0.08 0.16 115.11 120.21 1yx0 h GLN 90 Ca 0.05 -0.01 -0.02 0.00 -1.45 0.00 0.00 58.65 57.22 1yx0 h GLN 90 Cb 0.27 -0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.67 1yx0 h GLN 90 CO 0.00 0.14 -0.19 0.28 -0.95 0.00 0.00 178.83 178.11 1yx0 h VAL 91 N 0.16 0.57 -0.93 -0.54 2.07 -1.13 -2.66 116.25 113.79 1yx0 h VAL 91 Ca 0.05 -0.39 0.24 0.00 0.82 0.00 0.00 66.70 67.41 1yx0 h VAL 91 Cb 0.01 0.75 -0.13 0.00 -1.52 0.00 0.00 31.29 30.40 1yx0 h VAL 91 CO -0.01 0.07 0.44 0.25 0.02 0.00 0.00 177.57 178.34 1yx0 h LEU 92 N -0.78 0.39 -0.34 2.57 5.85 0.12 0.48 115.31 123.60 1yx0 h LEU 92 Ca -0.06 0.16 0.06 0.00 0.84 0.00 0.00 57.88 58.88 1yx0 h LEU 92 Cb 0.53 0.13 -0.05 0.00 0.37 0.00 0.00 40.66 41.63 1yx0 h LEU 92 CO 0.09 -0.01 0.00 -0.61 -0.34 0.00 0.00 178.44 177.57 1yx0 h GLN 93 N 0.41 0.09 -0.52 1.25 -0.00 -0.43 0.46 115.11 116.38 1yx0 h GLN 93 Ca 0.60 -0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 59.12 1yx0 h GLN 93 Cb 1.17 -0.02 -0.02 0.00 0.00 0.00 0.00 27.48 28.61 1yx0 h GLN 93 CO -0.54 0.06 -0.13 1.25 0.00 0.00 0.00 178.83 179.47 1yx0 h HIS 94 N 0.10 1.13 -0.33 3.99 2.76 -0.00 0.10 115.15 122.90 1yx0 h HIS 94 Ca 0.17 -0.25 0.04 0.00 -2.20 0.00 0.00 60.37 58.13 1yx0 h HIS 94 Cb 0.23 -0.28 -0.04 0.00 1.55 0.00 0.00 27.41 28.88 1yx0 h HIS 94 CO -0.24 1.07 0.12 0.82 -1.30 0.00 0.00 177.93 178.39 1yx0 h ILE 95 N 0.88 0.91 -0.32 6.26 2.04 0.75 1.16 117.51 129.19 1yx0 h ILE 95 Ca 0.13 -0.09 -0.11 0.00 1.00 0.00 0.00 64.86 65.79 1yx0 h ILE 95 Cb 0.70 0.62 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 1yx0 h ILE 95 CO 0.05 0.05 -0.24 0.40 0.00 0.00 0.00 178.15 178.41 1yx0 h ILE 96 N 0.26 1.27 -0.29 -0.67 2.04 0.06 -2.14 117.51 118.04 1yx0 h ILE 96 Ca 0.15 -1.32 -0.05 0.00 1.00 0.00 0.00 64.86 64.64 1yx0 h ILE 96 Cb 0.12 1.29 -0.01 0.00 -0.74 0.00 0.00 36.82 37.48 1yx0 h ILE 96 CO -0.15 0.43 -0.01 -0.08 0.00 0.00 0.00 178.15 178.33 1yx0 h GLU 97 N 0.55 0.51 -0.39 2.37 4.22 0.38 0.35 114.58 122.57 1yx0 h GLU 97 Ca 0.08 -0.17 0.04 0.00 0.08 0.00 0.00 59.36 59.39 1yx0 h GLU 97 Cb 0.71 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 1yx0 h GLU 97 CO 0.05 0.68 0.17 0.93 -2.18 0.00 0.00 179.01 178.66 1yx0 h GLU 98 N 0.30 0.34 -0.14 1.92 3.07 0.15 0.45 114.58 120.67 1yx0 h GLU 98 Ca 0.08 -0.02 -0.12 0.00 -0.50 0.00 0.00 59.36 58.80 1yx0 h GLU 98 Cb 0.45 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 28.27 1yx0 h GLU 98 CO 0.02 0.22 -0.45 0.00 -1.40 0.00 0.00 179.01 177.40 1yx0 h ALA 99 N 1.23 0.97 -0.33 3.43 0.00 -1.29 -2.43 119.26 120.84 1yx0 h ALA 99 Ca 0.17 -0.45 -0.02 0.00 0.00 0.00 0.00 54.91 54.61 1yx0 h ALA 99 Cb 0.12 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 1yx0 h ALA 99 CO -0.15 0.64 0.11 0.93 0.00 0.00 0.00 179.25 180.78 1yx0 h GLU 100 N 0.28 0.46 0.03 0.00 4.39 0.83 1.45 114.58 122.02 1yx0 h GLU 100 Ca 0.02 -0.06 -0.00 0.00 0.34 0.00 0.00 59.36 59.66 1yx0 h GLU 100 Cb 0.91 -0.09 0.00 0.00 -0.10 0.00 0.00 28.75 29.47 1yx0 h GLU 100 CO 0.08 0.41 -0.02 0.87 -1.16 0.00 0.00 179.01 179.19 1yx0 h LYS 101 N 0.46 -0.04 -0.45 2.33 1.79 -0.60 -3.24 116.57 116.81 1yx0 h LYS 101 Ca 0.11 0.00 -0.09 0.00 -2.18 0.00 0.00 60.65 58.49 1yx0 h LYS 101 Cb 0.13 0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.77 1yx0 h LYS 101 CO -0.01 0.52 -0.10 -0.09 -1.08 0.00 0.00 179.45 178.70 1yx0 h ARG 102 N -0.65 0.81 -1.82 3.15 2.43 -1.11 -3.48 114.38 113.71 1yx0 h ARG 102 Ca -0.00 -0.27 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 1yx0 h ARG 102 Cb 0.59 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.07 1yx0 h ARG 102 CO 0.01 0.88 0.00 0.41 -1.51 0.00 0.00 179.97 179.75 1yx0 n GLY 103 N -0.45 0.36 2.66 2.80 0.00 0.49 -5.09 105.19 105.96 1yx0 n GLY 103 Ca 0.02 -0.44 -0.20 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.69 -3.98 -0.03 1.61 4.02 -0.92 -4.88 117.16 112.29 1yx0 n TYR 104 Ca 0.00 -0.81 -0.03 0.00 -0.01 0.00 0.00 57.90 57.05 1yx0 n TYR 104 Cb 0.30 -0.72 -0.05 0.00 -0.02 0.00 0.00 39.34 38.86 1yx0 n TYR 104 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 176.86 173.94 1yx0 n GLU 105 N -3.00 2.75 -3.48 -0.72 4.07 -0.73 -4.91 120.64 114.61 1yx0 n GLU 105 Ca 0.11 0.00 -0.12 0.00 -0.06 0.00 0.00 57.16 57.09 1yx0 n GLU 105 Cb 0.40 -1.15 -0.03 0.00 -0.06 0.00 0.00 31.44 30.60 1yx0 n GLU 105 CO 0.00 0.00 0.00 1.03 -0.06 0.00 0.00 177.13 178.10 1yx0 s ARG 106 N -2.14 1.03 -0.16 5.31 0.52 -1.22 -3.85 118.95 118.43 1yx0 s ARG 106 Ca -0.04 -0.19 0.00 0.00 -0.52 0.00 0.00 55.73 54.99 1yx0 s ARG 106 Cb 0.02 0.48 0.03 0.00 0.52 0.00 0.00 34.95 35.99 1yx0 s ARG 106 CO 0.24 -0.41 -0.13 -0.51 0.02 0.00 0.00 175.30 174.51 1yx0 s LEU 107 N -2.13 1.86 0.41 2.53 1.43 -0.99 -3.66 118.68 118.13 1yx0 s LEU 107 Ca -0.01 -0.62 0.08 0.00 -1.03 0.00 0.00 54.13 52.55 1yx0 s LEU 107 Cb -0.01 -1.18 0.00 0.00 0.03 0.00 0.00 46.19 45.03 1yx0 s LEU 107 CO -0.05 -0.09 0.53 -0.44 0.23 0.00 0.00 176.35 176.53 1yx0 s SER 108 N 1.47 5.63 0.20 2.29 0.01 -0.56 -1.35 113.70 121.39 1yx0 s SER 108 Ca 0.03 -0.42 -0.24 0.00 1.31 0.00 0.00 55.95 56.63 1yx0 s SER 108 Cb -0.14 -0.73 0.05 0.00 0.21 0.00 0.00 66.02 65.41 1yx0 s SER 108 CO -0.10 -0.70 0.88 -1.48 0.41 0.00 0.00 173.24 172.25 1yx0 s LEU 109 N -4.30 -0.21 -0.50 2.44 0.05 -1.26 -3.12 118.68 111.79 1yx0 s LEU 109 Ca 0.53 -0.47 -0.15 0.00 0.05 0.00 0.00 54.13 54.08 1yx0 s LEU 109 Cb -0.09 2.35 0.10 0.00 -2.05 0.00 0.00 46.19 46.50 1yx0 s LEU 109 CO 0.32 -1.05 0.43 -1.83 -0.55 0.00 0.00 176.35 173.66 1yx0 s GLU 110 N -3.50 2.94 0.00 1.48 -1.05 -1.26 -3.70 118.70 113.61 1yx0 s GLU 110 Ca 0.12 -1.52 0.00 0.00 -0.15 0.00 0.00 54.97 53.42 1yx0 s GLU 110 Cb -0.03 -4.17 0.00 0.00 -0.44 0.00 0.00 34.13 29.49 1yx0 s GLU 110 CO 0.04 -1.15 0.00 0.25 0.95 0.00 0.00 175.26 175.35 1yx0 n THR 111 N 5.19 0.00 0.00 1.83 -2.24 -1.26 -5.08 114.28 112.72 1yx0 n THR 111 Ca -0.13 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.65 1yx0 n THR 111 Cb 0.42 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 1yx0 n THR 111 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1yx0 n GLY 112 N 5.00 0.80 2.63 3.38 0.00 -1.18 -4.90 105.19 110.92 1yx0 n GLY 112 Ca 0.00 -2.01 -0.30 0.00 0.00 0.00 0.00 46.02 43.71 1yx0 n GLY 112 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1yx0 n SER 113 N 2.25 5.40 -4.98 1.61 2.88 -1.26 -3.91 113.62 115.61 1yx0 n SER 113 Ca 0.00 -3.74 -0.19 0.00 -1.33 0.00 0.00 58.87 53.61 1yx0 n SER 113 Cb 0.00 -0.63 0.04 0.00 -0.75 0.00 0.00 64.21 62.87 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -1.23 0.00 0.00 175.04 173.77 1yx0 s MET 114 N -3.68 2.55 0.08 -1.46 1.00 -1.26 -4.87 119.30 111.67 1yx0 s MET 114 Ca 0.49 -1.25 -0.13 0.00 0.00 0.00 0.00 55.69 54.80 1yx0 s MET 114 Cb 0.39 -2.65 -0.21 0.00 0.00 0.00 0.00 34.83 32.36 1yx0 s MET 114 CO -0.23 -0.59 1.21 0.00 0.00 0.00 0.00 175.02 175.40 1yx0 h ALA 115 N 0.33 0.16 0.00 3.03 0.00 -1.98 1.46 119.26 122.26 1yx0 h ALA 115 Ca -0.38 -0.69 0.00 0.00 0.00 0.00 0.00 54.91 53.84 1yx0 h ALA 115 Cb 1.28 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.12 1yx0 h ALA 115 CO 0.45 0.70 0.00 1.03 0.00 0.00 0.00 179.25 181.43 1yx0 h SER 116 N 0.39 0.00 0.00 0.00 0.87 -2.00 -3.28 113.55 109.53 1yx0 h SER 116 Ca -0.12 0.00 -0.39 0.00 -1.23 0.00 0.00 61.79 60.05 1yx0 h SER 116 Cb 1.67 0.00 -0.07 0.00 -0.44 0.00 0.00 62.40 63.56 1yx0 h SER 116 CO 0.20 0.00 -2.46 0.49 -0.53 0.00 0.00 176.83 174.53 1yx0 n PHE 117 N -2.59 0.04 -0.35 2.24 3.72 -1.16 -3.77 117.46 115.59 1yx0 n PHE 117 Ca 0.04 0.01 -0.06 0.00 -0.05 0.00 0.00 57.45 57.39 1yx0 n PHE 117 Cb 0.42 -1.01 -0.03 0.00 -0.94 0.00 0.00 39.48 37.93 1yx0 n PHE 117 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 1yx0 n GLU 118 N -3.23 -0.31 0.14 -1.08 1.02 0.50 0.13 120.64 117.82 1yx0 n GLU 118 Ca -0.45 1.33 0.01 0.00 -0.02 0.00 0.00 57.16 58.03 1yx0 n GLU 118 Cb 1.00 -1.97 0.15 0.00 -0.02 0.00 0.00 31.44 30.61 1yx0 n GLU 118 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 1yx0 h PRO 119 N 0.00 0.00 -0.06 3.49 0.13 -1.80 -3.19 132.00 130.57 1yx0 h PRO 119 Ca 0.21 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 65.37 1yx0 h PRO 119 Cb 0.43 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 31.53 1yx0 h PRO 119 CO -0.84 0.59 -0.12 0.00 -0.23 0.00 0.00 178.00 177.39 1yx0 h ALA 120 N 1.41 -0.09 -0.27 -0.56 0.00 0.10 -0.24 119.26 119.61 1yx0 h ALA 120 Ca -0.01 0.03 0.01 0.00 0.00 0.00 0.00 54.91 54.94 1yx0 h ALA 120 Cb 1.20 0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.22 1yx0 h ALA 120 CO 0.08 -0.60 0.18 0.07 0.00 0.00 0.00 179.25 178.98 1yx0 h ARG 121 N -0.18 0.32 0.00 0.00 0.11 -0.44 0.12 114.38 114.32 1yx0 h ARG 121 Ca 0.07 -0.02 -0.06 0.00 0.10 0.00 0.00 59.98 60.06 1yx0 h ARG 121 Cb 0.27 -0.07 -0.01 0.00 1.11 0.00 0.00 29.97 31.27 1yx0 h ARG 121 CO -0.17 0.21 -0.30 0.87 0.10 0.00 0.00 179.97 180.69 1yx0 h LYS 122 N 0.33 0.00 -0.13 0.08 1.57 -1.10 -0.97 116.57 116.35 1yx0 h LYS 122 Ca 0.10 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.72 1yx0 h LYS 122 Cb 0.01 0.00 0.01 0.00 0.08 0.00 0.00 32.23 32.33 1yx0 h LYS 122 CO -0.02 0.30 -0.55 1.25 -0.57 0.00 0.00 179.45 179.86 1yx0 h LEU 123 N 0.00 0.71 0.12 2.94 7.12 0.77 -2.90 115.31 124.07 1yx0 h LEU 123 Ca -0.00 -0.63 -0.01 0.00 0.13 0.00 0.00 57.88 57.37 1yx0 h LEU 123 Cb 0.59 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 40.51 1yx0 h LEU 123 CO 0.04 1.22 -0.06 1.88 -0.13 0.00 0.00 178.44 181.39 1yx0 h TYR 124 N 0.24 -0.15 -1.00 1.25 0.99 -0.98 -2.73 116.97 114.59 1yx0 h TYR 124 Ca -0.03 -0.00 0.21 0.00 2.00 0.00 0.00 58.73 60.91 1yx0 h TYR 124 Cb 1.19 0.05 -0.10 0.00 1.00 0.00 0.00 36.73 38.86 1yx0 h TYR 124 CO 0.10 0.04 0.62 0.93 -0.00 0.00 0.00 178.16 179.85 1yx0 h GLU 125 N -0.32 0.63 0.00 4.88 5.08 -1.26 1.45 114.58 125.03 1yx0 h GLU 125 Ca -0.02 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1yx0 h GLU 125 Cb 0.26 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1yx0 h GLU 125 CO 0.03 0.41 0.00 0.45 -1.00 0.00 0.00 179.01 178.90 1yx0 n SER 126 N -4.74 0.39 0.01 1.42 2.88 -1.03 -0.32 113.62 112.23 1yx0 n SER 126 Ca 0.24 0.66 0.11 0.00 -1.33 0.00 0.00 58.87 58.55 1yx0 n SER 126 Cb 0.66 -0.72 -0.12 0.00 -0.75 0.00 0.00 64.21 63.27 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 -2.01 0.12 0.00 0.66 -0.00 0.49 -4.96 117.46 111.76 1yx0 n PHE 127 Ca -0.00 0.04 0.00 0.00 -0.00 0.00 0.00 57.45 57.48 1yx0 n PHE 127 Cb 0.06 -0.45 0.00 0.00 -0.00 0.00 0.00 39.48 39.09 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 1.50 2.56 7.13 0.00 0.57 -5.11 105.19 113.15 1yx0 n GLY 128 Ca -0.02 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.70 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 -2.87 -4.28 1.61 3.01 -1.12 -4.90 117.46 108.92 1yx0 n PHE 129 Ca 0.00 0.26 -0.15 0.00 1.01 0.00 0.00 57.45 58.57 1yx0 n PHE 129 Cb 0.00 -1.30 -0.10 0.00 -0.01 0.00 0.00 39.48 38.07 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 -1.04 1.17 0.19 -1.08 -1.52 0.80 -4.46 119.66 113.73 1yx0 s GLN 130 Ca 0.42 -1.55 -0.16 0.00 -1.95 0.00 0.00 55.36 52.12 1yx0 s GLN 130 Cb -0.33 -0.55 -0.08 0.00 -0.22 0.00 0.00 33.01 31.84 1yx0 s GLN 130 CO 0.57 -0.03 0.63 0.71 -0.25 0.00 0.00 175.29 176.92 1yx0 s TYR 131 N -3.43 3.60 0.00 0.91 2.02 -1.26 0.19 117.35 119.38 1yx0 s TYR 131 Ca 0.22 1.20 0.00 0.00 -0.37 0.00 0.00 57.07 58.12 1yx0 s TYR 131 Cb 0.04 -2.48 0.00 0.00 -0.40 0.00 0.00 41.96 39.13 1yx0 s TYR 131 CO 0.04 0.36 0.00 0.00 -1.57 0.00 0.00 175.55 174.39 1yx0 n GLU 133 N -0.11 0.08 0.00 0.00 1.02 -1.26 -3.60 120.64 116.77 1yx0 n GLU 133 Ca 0.00 0.03 0.00 0.00 -0.02 0.00 0.00 57.16 57.17 1yx0 n GLU 133 Cb 0.00 -1.14 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1yx0 n GLU 133 CO 0.00 0.00 0.00 -0.35 1.18 0.00 0.00 177.13 177.96 1yx0 n PRO 134 N 1.29 0.10 0.00 3.49 -0.04 -1.26 -4.60 135.00 133.98 1yx0 n PRO 134 Ca 0.07 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.53 1yx0 n PRO 134 Cb 0.48 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.94 1yx0 n PRO 134 CO 0.00 0.00 0.00 1.19 -0.04 0.00 0.00 175.50 176.65 1yx0 n PHE 135 N -1.45 0.00 0.00 0.54 3.72 -1.26 -5.01 117.46 114.00 1yx0 n PHE 135 Ca 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.40 1yx0 n PHE 135 Cb 0.00 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.54 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 -1.00 0.00 0.00 4.37 0.00 -1.24 -4.81 120.51 117.82 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 0.46 0.00 0.00 0.00 0.00 0.00 19.45 19.91 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 -2.88 0.00 -4.70 0.00 -0.08 -1.26 -5.02 116.55 102.61 1yx0 n ASP 137 Ca 0.00 0.00 -0.42 0.00 -1.51 0.00 0.00 54.79 52.86 1yx0 n ASP 137 Cb 0.00 0.05 -0.03 0.00 2.34 0.00 0.00 41.12 43.48 1yx0 n ASP 137 CO 0.00 0.00 0.00 -0.31 0.12 0.00 0.00 177.20 177.01 1yx0 s TYR 138 N -1.32 2.90 0.00 -0.67 1.51 -1.26 -5.00 117.35 113.50 1yx0 s TYR 138 Ca 0.00 0.76 0.00 0.00 -1.01 0.00 0.00 57.07 56.82 1yx0 s TYR 138 Cb 0.00 -3.73 0.00 0.00 -0.11 0.00 0.00 41.96 38.12 1yx0 s TYR 138 CO 0.00 -2.73 0.00 0.41 -1.11 0.00 0.00 175.55 172.12 1yx0 n GLY 139 N 3.67 2.52 3.05 0.71 0.00 -1.26 -4.58 105.19 109.30 1yx0 n GLY 139 Ca 0.13 -1.88 -0.36 0.00 0.00 0.00 0.00 46.02 43.92 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 -0.06 0.00 1.61 -0.58 -1.26 -4.98 120.64 115.37 1yx0 n GLU 140 Ca 0.00 -0.01 0.00 0.00 -0.42 0.00 0.00 57.16 56.73 1yx0 n GLU 140 Cb 0.00 -1.10 0.00 0.00 -0.57 0.00 0.00 31.44 29.77 1yx0 n GLU 140 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 1yx0 n ASP 141 N 2.91 0.00 0.16 1.62 8.00 -1.26 -5.00 116.55 122.97 1yx0 n ASP 141 Ca -0.01 0.00 0.13 0.00 0.71 0.00 0.00 54.79 55.62 1yx0 n ASP 141 Cb 0.59 0.00 0.45 0.00 -0.02 0.00 0.00 41.12 42.13 1yx0 n ASP 141 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 1yx0 h PRO 142 N 0.00 0.00 -1.41 -0.24 0.13 -2.06 -3.37 132.00 125.06 1yx0 h PRO 142 Ca 0.00 0.00 -0.32 0.00 -0.87 0.00 0.00 66.00 64.81 1yx0 h PRO 142 Cb 0.00 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 30.89 1yx0 h PRO 142 CO 0.00 0.00 -0.68 0.09 -0.23 0.00 0.00 178.00 177.18 1yx0 n ASN 143 N -2.51 -2.30 -3.64 1.44 3.02 -1.26 -5.11 115.26 104.89 1yx0 n ASN 143 Ca 0.03 -2.76 -0.07 0.00 -0.03 0.00 0.00 54.58 51.75 1yx0 n ASN 143 Cb 0.36 0.91 -0.07 0.00 -0.61 0.00 0.00 39.78 40.37 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 0.32 -0.70 0.42 6.41 0.15 -1.26 -4.29 113.70 114.74 1yx0 s SER 144 Ca 0.31 1.18 0.08 0.00 0.70 0.00 0.00 55.95 58.22 1yx0 s SER 144 Cb 0.04 1.26 -0.02 0.00 -1.71 0.00 0.00 66.02 65.59 1yx0 s SER 144 CO -0.12 -0.19 0.37 0.68 1.20 0.00 0.00 173.24 175.18 1yx0 s VAL 145 N 1.12 2.65 -0.02 4.45 -7.23 -1.25 -4.75 120.40 115.37 1yx0 s VAL 145 Ca -0.06 -1.35 -0.00 0.00 -1.81 0.00 0.00 61.98 58.76 1yx0 s VAL 145 Cb -0.05 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.92 1yx0 s VAL 145 CO -0.13 -0.00 0.03 -0.36 -0.31 0.00 0.00 175.10 174.33 1yx0 s PHE 146 N -2.48 0.02 0.09 2.82 0.08 -1.26 -3.08 117.98 114.16 1yx0 s PHE 146 Ca 0.48 0.12 0.09 0.00 0.12 0.00 0.00 56.93 57.73 1yx0 s PHE 146 Cb -0.03 -0.19 -0.03 0.00 -0.57 0.00 0.00 43.02 42.20 1yx0 s PHE 146 CO 0.28 -0.08 -0.22 1.41 -0.10 0.00 0.00 175.22 176.51 1yx0 s MET 147 N 0.89 1.31 0.07 0.44 1.75 -1.24 -2.12 119.30 120.39 1yx0 s MET 147 Ca -0.07 -1.13 0.01 0.00 -1.25 0.00 0.00 55.69 53.24 1yx0 s MET 147 Cb -0.11 -1.57 -0.04 0.00 2.84 0.00 0.00 34.83 35.96 1yx0 s MET 147 CO -0.03 0.38 -0.05 -0.08 -0.65 0.00 0.00 175.02 174.59 1yx0 s THR 148 N -1.01 0.47 -0.06 10.11 -1.32 0.49 -4.48 115.64 119.85 1yx0 s THR 148 Ca 0.09 -1.62 0.05 0.00 -1.21 0.00 0.00 61.69 58.99 1yx0 s THR 148 Cb -0.10 -1.28 -0.02 0.00 -1.51 0.00 0.00 72.50 69.60 1yx0 s THR 148 CO 0.04 -0.77 -0.19 -0.75 -2.21 0.00 0.00 174.62 170.74 1yx0 s LYS 149 N -3.17 2.55 -0.17 7.08 2.36 -0.46 -0.14 119.74 127.79 1yx0 s LYS 149 Ca 0.03 -0.79 -0.01 0.00 -2.55 0.00 0.00 55.97 52.65 1yx0 s LYS 149 Cb 0.01 -2.30 -0.01 0.00 -1.05 0.00 0.00 37.83 34.49 1yx0 s LYS 149 CO -0.05 0.51 -0.11 0.21 1.55 0.00 0.00 175.35 177.46 1yx0 s LYS 150 N -0.45 3.31 0.00 4.03 2.20 -1.26 -2.34 119.74 125.24 1yx0 s LYS 150 Ca 0.05 -0.69 0.00 0.00 -0.36 0.00 0.00 55.97 54.97 1yx0 s LYS 150 Cb -0.12 -2.77 0.00 0.00 -1.51 0.00 0.00 37.83 33.43 1yx0 s LYS 150 CO 0.02 -0.02 0.35 1.28 -0.36 0.00 0.00 175.35 176.61