#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 -0.76 -4.98 115.29 110.39 1yx0 s HIS 2 Ca 0.00 1.24 0.06 0.00 -0.00 0.00 0.00 55.06 56.36 1yx0 s HIS 2 Cb 0.00 0.41 -0.02 0.00 -0.00 0.00 0.00 32.58 32.97 1yx0 s HIS 2 CO 0.00 -0.68 -0.23 0.42 -0.00 0.00 0.00 174.74 174.25 1yx0 s ILE 3 N 2.89 2.23 0.35 0.60 -1.09 -1.26 0.29 121.20 125.21 1yx0 s ILE 3 Ca 0.13 -1.02 -0.16 0.00 -2.23 0.00 0.00 60.65 57.37 1yx0 s ILE 3 Cb -0.13 -1.81 0.04 0.00 -1.58 0.00 0.00 42.46 38.98 1yx0 s ILE 3 CO -0.18 0.57 0.74 -0.54 -1.23 0.00 0.00 174.94 174.31 1yx0 s LYS 4 N -0.35 2.09 0.14 2.79 1.02 -1.19 -4.99 119.74 119.26 1yx0 s LYS 4 Ca 0.02 -1.35 -0.20 0.00 0.02 0.00 0.00 55.97 54.46 1yx0 s LYS 4 Cb -0.12 0.61 -0.07 0.00 -0.52 0.00 0.00 37.83 37.72 1yx0 s LYS 4 CO 0.02 -0.97 0.66 0.42 -0.92 0.00 0.00 175.35 174.56 1yx0 s ILE 5 N -2.79 4.61 -0.18 2.17 1.01 -1.26 -1.64 121.20 123.13 1yx0 s ILE 5 Ca 0.16 1.31 -0.16 0.00 0.00 0.00 0.00 60.65 61.96 1yx0 s ILE 5 Cb -0.05 -3.93 -0.04 0.00 0.01 0.00 0.00 42.46 38.45 1yx0 s ILE 5 CO 0.11 0.42 0.39 -0.62 0.00 0.00 0.00 174.94 175.24 1yx0 s ASP 6 N -1.33 6.48 0.15 3.58 2.15 0.20 -4.75 116.67 123.16 1yx0 s ASP 6 Ca 0.35 0.57 0.09 0.00 0.43 0.00 0.00 52.55 53.99 1yx0 s ASP 6 Cb -0.19 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.16 1yx0 s ASP 6 CO 0.21 -0.02 -0.20 -1.81 -0.17 0.00 0.00 175.17 173.18 1yx0 s ASP 7 N 0.83 2.78 -1.03 -0.34 1.11 -1.26 -4.22 116.67 114.53 1yx0 s ASP 7 Ca 0.20 -0.82 -0.27 0.00 0.18 0.00 0.00 52.55 51.84 1yx0 s ASP 7 Cb -0.14 -0.17 -0.22 0.00 1.07 0.00 0.00 42.92 43.46 1yx0 s ASP 7 CO 0.07 0.02 2.18 0.18 1.18 0.00 0.00 175.17 178.80 1yx0 n LEU 8 N 0.50 1.42 -0.74 1.23 4.77 -1.26 -3.91 117.00 119.02 1yx0 n LEU 8 Ca -0.15 -2.28 -0.03 0.00 -0.03 0.00 0.00 56.01 53.52 1yx0 n LEU 8 Cb 0.56 -1.72 -0.03 0.00 -2.33 0.00 0.00 43.42 39.89 1yx0 n LEU 8 CO 0.27 -3.48 0.29 1.07 -1.33 0.00 0.00 177.39 174.21 1yx0 n THR 9 N 9.07 0.00 -3.16 -5.08 5.66 -1.26 -5.06 114.28 114.45 1yx0 n THR 9 Ca 0.42 0.00 0.03 0.00 -3.05 0.00 0.00 64.05 61.46 1yx0 n THR 9 Cb 0.46 0.25 -0.00 0.00 -1.55 0.00 0.00 70.33 69.49 1yx0 n THR 9 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1yx0 s GLY 10 N -0.49 -1.25 0.58 1.09 0.00 -1.25 -5.00 107.32 100.99 1yx0 s GLY 10 Ca 0.00 0.94 0.29 0.00 0.00 0.00 0.00 44.72 45.95 1yx0 s GLY 10 CO 0.00 3.72 1.90 0.07 0.00 0.00 0.00 173.10 178.79 1yx0 h ARG 11 N 7.68 0.00 -0.24 2.90 0.11 -1.97 0.36 114.38 123.22 1yx0 h ARG 11 Ca -0.00 0.00 -0.09 0.00 0.10 0.00 0.00 59.98 59.98 1yx0 h ARG 11 Cb 1.19 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 32.26 1yx0 h ARG 11 CO 0.12 0.00 -0.22 1.96 0.10 0.00 0.00 179.97 181.93 1yx0 h GLN 12 N 0.00 0.57 -0.25 0.08 7.50 -1.97 1.45 115.11 122.49 1yx0 h GLN 12 Ca 0.25 -0.29 -0.20 0.00 0.50 0.00 0.00 58.65 58.90 1yx0 h GLN 12 Cb 1.25 0.01 0.00 0.00 0.05 0.00 0.00 27.48 28.79 1yx0 h GLN 12 CO -0.00 0.88 -0.62 0.28 -1.50 0.00 0.00 178.83 177.87 1yx0 h VAL 13 N 0.27 1.27 -0.10 -0.54 2.07 -0.87 -2.23 116.25 116.13 1yx0 h VAL 13 Ca 0.04 -1.81 -0.07 0.00 0.82 0.00 0.00 66.70 65.69 1yx0 h VAL 13 Cb 0.77 1.74 0.00 0.00 -1.52 0.00 0.00 31.29 32.27 1yx0 h VAL 13 CO 0.06 0.58 -0.21 0.58 0.02 0.00 0.00 177.57 178.60 1yx0 h VAL 14 N 0.63 1.39 -0.30 2.57 2.07 -0.60 -2.68 116.25 119.33 1yx0 h VAL 14 Ca -0.01 -1.50 0.07 0.00 0.82 0.00 0.00 66.70 66.08 1yx0 h VAL 14 Cb 1.23 2.13 -0.08 0.00 -1.52 0.00 0.00 31.29 33.06 1yx0 h VAL 14 CO 0.13 0.43 -0.25 -1.28 0.02 0.00 0.00 177.57 176.63 1yx0 h SER 15 N -0.14 -0.81 -0.60 0.57 0.87 0.20 1.11 113.55 114.75 1yx0 h SER 15 Ca 0.00 0.15 0.10 0.00 -1.23 0.00 0.00 61.79 60.81 1yx0 h SER 15 Cb 0.80 0.39 -0.08 0.00 -0.44 0.00 0.00 62.40 63.07 1yx0 h SER 15 CO 0.05 -0.28 0.19 0.25 -0.53 0.00 0.00 176.83 176.51 1yx0 h LEU 16 N -0.23 0.15 -0.54 2.23 6.46 -1.43 0.36 115.31 122.32 1yx0 h LEU 16 Ca 0.15 0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.97 1yx0 h LEU 16 Cb 0.47 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.46 1yx0 h LEU 16 CO -0.43 0.09 0.21 0.58 -0.62 0.00 0.00 178.44 178.28 1yx0 h VAL 17 N 0.36 1.22 0.00 1.05 2.07 -0.66 -3.25 116.25 117.04 1yx0 h VAL 17 Ca 0.31 -0.68 0.00 0.00 0.82 0.00 0.00 66.70 67.14 1yx0 h VAL 17 Cb 0.40 0.67 0.00 0.00 -1.52 0.00 0.00 31.29 30.84 1yx0 h VAL 17 CO -0.33 0.26 0.00 0.59 0.02 0.00 0.00 177.57 178.11 1yx0 n ASN 18 N -4.52 0.00 -3.15 0.57 3.02 0.36 -4.89 115.26 106.66 1yx0 n ASN 18 Ca 0.02 0.99 0.06 0.00 -0.03 0.00 0.00 54.58 55.62 1yx0 n ASN 18 Cb 0.16 -0.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.83 1yx0 n ASN 18 CO 0.00 0.00 0.00 -0.70 -2.62 0.00 0.00 177.26 173.94 1yx0 s GLU 19 N -2.96 0.08 -0.21 3.52 2.12 0.11 -5.05 118.70 116.30 1yx0 s GLU 19 Ca 0.00 0.13 -0.11 0.00 0.36 0.00 0.00 54.97 55.35 1yx0 s GLU 19 Cb 0.00 0.07 -0.19 0.00 0.26 0.00 0.00 34.13 34.27 1yx0 s GLU 19 CO 0.00 -0.09 0.03 1.58 -0.54 0.00 0.00 175.26 176.23 1yx0 n HIS 20 N 5.42 0.63 0.17 5.30 -0.00 -1.25 -4.58 115.22 120.92 1yx0 n HIS 20 Ca -0.06 0.20 -0.09 0.00 0.46 0.00 0.00 57.72 58.23 1yx0 n HIS 20 Cb 0.55 -1.07 -0.04 0.00 -0.12 0.00 0.00 29.99 29.30 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 -0.51 -0.43 -2.13 0.27 4.07 -1.95 -3.47 115.31 111.17 1yx0 h LEU 21 Ca -0.50 -0.02 0.01 0.00 0.08 0.00 0.00 57.88 57.44 1yx0 h LEU 21 Cb 1.70 0.11 -0.12 0.00 1.08 0.00 0.00 40.66 43.43 1yx0 h LEU 21 CO -0.16 0.01 -1.43 1.57 -1.08 0.00 0.00 178.44 177.35 1yx0 n HIS 22 N -5.12 -4.00 0.00 1.13 -0.00 -1.26 -5.06 115.22 100.91 1yx0 n HIS 22 Ca -0.07 2.33 0.00 0.00 0.46 0.00 0.00 57.72 60.44 1yx0 n HIS 22 Cb 0.22 -3.66 0.00 0.00 -0.12 0.00 0.00 29.99 26.43 1yx0 n HIS 22 CO 0.00 0.00 0.00 -1.13 0.46 0.00 0.00 176.34 175.67 1yx0 n SER 23 N 1.51 0.00 -3.98 0.26 3.41 -1.26 -5.18 113.62 108.38 1yx0 n SER 23 Ca -0.38 0.00 -0.09 0.00 -0.26 0.00 0.00 58.87 58.13 1yx0 n SER 23 Cb 0.59 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.47 1yx0 n SER 23 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yx0 s MET 24 N 0.00 1.08 0.14 4.33 -1.94 -1.26 -5.06 119.30 116.58 1yx0 s MET 24 Ca 0.00 -1.19 0.00 0.00 -1.71 0.00 0.00 55.69 52.79 1yx0 s MET 24 Cb 0.00 0.35 0.00 0.00 2.01 0.00 0.00 34.83 37.19 1yx0 s MET 24 CO 0.00 -0.37 0.00 0.25 -0.01 0.00 0.00 175.02 174.89 1yx0 n THR 25 N -0.17 0.56 -1.46 2.05 -2.24 -1.26 -5.08 114.28 106.67 1yx0 n THR 25 Ca -0.08 0.18 -0.38 0.00 -2.27 0.00 0.00 64.05 61.51 1yx0 n THR 25 Cb 0.63 -1.12 0.04 0.00 -2.10 0.00 0.00 70.33 67.78 1yx0 n THR 25 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1yx0 n LEU 26 N -3.34 1.17 -4.10 3.22 -0.00 -1.26 -5.01 117.00 107.69 1yx0 n LEU 26 Ca 0.00 0.72 -0.07 0.00 -0.00 0.00 0.00 56.01 56.66 1yx0 n LEU 26 Cb 0.07 -1.21 -0.10 0.00 -0.00 0.00 0.00 43.42 42.18 1yx0 n LEU 26 CO 0.00 -2.91 -0.35 -0.04 -0.00 0.00 0.00 177.39 174.08 1yx0 s MET 27 N -2.26 0.65 0.99 1.47 -1.94 -1.26 -5.14 119.30 111.80 1yx0 s MET 27 Ca 0.69 -1.25 -0.16 0.00 -1.71 0.00 0.00 55.69 53.27 1yx0 s MET 27 Cb -0.43 0.21 -0.06 0.00 2.01 0.00 0.00 34.83 36.56 1yx0 s MET 27 CO 0.54 -0.13 -0.30 -1.13 -0.01 0.00 0.00 175.02 173.99 1yx0 n SER 28 N 0.09 -4.03 -4.80 3.03 3.41 -1.26 -4.94 113.62 105.12 1yx0 n SER 28 Ca -0.13 0.22 -0.30 0.00 -0.26 0.00 0.00 58.87 58.40 1yx0 n SER 28 Cb 0.61 -0.94 0.11 0.00 -0.26 0.00 0.00 64.21 63.73 1yx0 n SER 28 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 1yx0 s PRO 29 N -2.76 1.77 -0.47 4.33 0.04 -1.26 -4.96 135.00 131.69 1yx0 s PRO 29 Ca 0.48 0.52 -0.28 0.00 0.04 0.00 0.00 61.00 61.76 1yx0 s PRO 29 Cb -0.17 -1.89 0.01 0.00 0.04 0.00 0.00 34.50 32.48 1yx0 s PRO 29 CO 0.75 -1.81 1.44 -1.25 0.04 0.00 0.00 177.00 176.17 1yx0 s PRO 30 N -5.20 3.44 0.00 0.56 0.04 -1.26 -4.77 135.00 127.80 1yx0 s PRO 30 Ca 0.62 0.78 0.00 0.00 0.04 0.00 0.00 61.00 62.43 1yx0 s PRO 30 Cb -0.15 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.32 1yx0 s PRO 30 CO 0.54 -1.75 0.00 0.39 0.04 0.00 0.00 177.00 176.22 1yx0 n GLU 31 N 8.33 0.83 -1.61 4.56 -0.58 -1.26 -5.03 120.64 125.88 1yx0 n GLU 31 Ca 0.15 0.00 -0.17 0.00 -0.42 0.00 0.00 57.16 56.72 1yx0 n GLU 31 Cb 0.49 0.00 -0.06 0.00 -0.57 0.00 0.00 31.44 31.29 1yx0 n GLU 31 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 1yx0 s SER 32 N 1.00 4.05 -0.82 1.62 0.15 -1.26 -3.50 113.70 114.94 1yx0 s SER 32 Ca 0.00 0.11 -0.00 0.00 0.70 0.00 0.00 55.95 56.76 1yx0 s SER 32 Cb 0.00 -2.55 0.00 0.00 -1.71 0.00 0.00 66.02 61.77 1yx0 s SER 32 CO 0.00 -3.68 0.62 -0.38 1.20 0.00 0.00 173.24 171.00 1yx0 n ILE 33 N 8.62 -4.30 0.00 6.45 5.41 -1.26 -2.47 119.36 131.81 1yx0 n ILE 33 Ca 0.45 -0.05 0.00 0.00 1.00 0.00 0.00 62.75 64.15 1yx0 n ILE 33 Cb 0.45 -3.50 0.00 0.00 -0.71 0.00 0.00 39.64 35.88 1yx0 n ILE 33 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 176.55 177.96 1yx0 n HIS 34 N -2.52 0.00 -0.65 1.39 8.25 -1.23 -4.82 115.22 115.64 1yx0 n HIS 34 Ca -0.28 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.18 1yx0 n HIS 34 Cb 0.67 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.78 1yx0 n HIS 34 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1yx0 n ALA 35 N 0.23 -2.62 -2.64 -1.41 0.00 -1.03 -4.38 120.51 108.67 1yx0 n ALA 35 Ca 0.00 0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.61 1yx0 n ALA 35 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 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 -1.48 0.00 7.94 -1.26 -5.03 117.00 116.99 1yx0 n LEU 36 Ca 0.00 0.00 -0.03 0.00 -1.11 0.00 0.00 56.01 54.87 1yx0 n LEU 36 Cb 0.00 0.00 -0.01 0.00 0.53 0.00 0.00 43.42 43.94 1yx0 n LEU 36 CO 0.00 0.00 0.29 0.61 -1.11 0.00 0.00 177.39 177.18 1yx0 n GLY 37 N 0.00 0.93 0.51 -3.96 0.00 -1.26 -4.93 105.19 96.47 1yx0 n GLY 37 Ca 0.00 -0.31 0.41 0.00 0.00 0.00 0.00 46.02 46.12 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 0.56 0.18 -4.77 0.99 4.07 -1.98 1.43 115.31 115.80 1yx0 h LEU 38 Ca -0.44 0.12 -0.70 0.00 0.08 0.00 0.00 57.88 56.94 1yx0 h LEU 38 Cb 1.51 0.12 -0.32 0.00 1.08 0.00 0.00 40.66 43.04 1yx0 h LEU 38 CO -0.15 -0.18 0.42 1.21 -1.08 0.00 0.00 178.44 178.66 1yx0 n GLU 39 N -4.59 3.00 0.00 1.13 2.13 -1.26 -3.97 120.64 117.08 1yx0 n GLU 39 Ca 0.39 -3.86 0.00 0.00 0.66 0.00 0.00 57.16 54.36 1yx0 n GLU 39 Cb 1.57 -2.26 0.00 0.00 0.27 0.00 0.00 31.44 31.02 1yx0 n GLU 39 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 1yx0 n LYS 40 N -0.54 0.00 0.05 5.31 5.02 0.49 -4.88 118.16 123.60 1yx0 n LYS 40 Ca 0.49 0.00 -0.11 0.00 -2.02 0.00 0.00 58.31 56.67 1yx0 n LYS 40 Cb 0.41 -0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.42 1yx0 n LYS 40 CO 0.00 0.00 0.00 -0.07 -0.52 0.00 0.00 177.40 176.81 1yx0 h LEU 41 N 0.00 0.54 -6.06 -0.35 -0.00 -1.79 -3.30 115.31 104.35 1yx0 h LEU 41 Ca 0.00 -0.37 -0.78 0.00 -0.00 0.00 0.00 57.88 56.73 1yx0 h LEU 41 Cb 0.00 -0.16 -0.20 0.00 -0.00 0.00 0.00 40.66 40.30 1yx0 h LEU 41 CO 0.00 1.13 1.67 -1.14 -0.00 0.00 0.00 178.44 180.10 1yx0 n ARG 42 N -3.83 4.88 -3.82 1.13 0.63 -1.25 -4.80 116.66 109.59 1yx0 n ARG 42 Ca -0.05 -4.07 -0.09 0.00 -0.92 0.00 0.00 57.85 52.72 1yx0 n ARG 42 Cb 0.73 -2.58 0.03 0.00 0.45 0.00 0.00 32.46 31.09 1yx0 n ARG 42 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1yx0 s GLY 43 N -0.50 0.47 0.02 5.14 0.00 -1.24 -4.72 107.32 106.49 1yx0 s GLY 43 Ca 0.45 -0.83 -0.19 0.00 0.00 0.00 0.00 44.72 44.14 1yx0 s GLY 43 CO -0.08 -0.36 1.14 -0.56 0.00 0.00 0.00 173.10 173.23 1yx0 h PRO 44 N 2.00 0.44 -1.52 2.90 0.13 -1.91 -3.21 132.00 130.84 1yx0 h PRO 44 Ca -0.33 -0.43 0.50 0.00 -0.87 0.00 0.00 66.00 64.87 1yx0 h PRO 44 Cb 1.25 0.11 -0.13 0.00 0.13 0.00 0.00 31.00 32.37 1yx0 h PRO 44 CO 0.42 1.08 1.01 1.05 -0.23 0.00 0.00 178.00 181.34 1yx0 h GLU 45 N -0.03 0.01 -6.26 0.86 4.11 -1.97 -3.37 114.58 107.93 1yx0 h GLU 45 Ca -0.06 -0.00 -0.57 0.00 0.07 0.00 0.00 59.36 58.80 1yx0 h GLU 45 Cb 1.25 -0.00 -0.10 0.00 0.50 0.00 0.00 28.75 30.40 1yx0 h GLU 45 CO 0.11 0.00 -0.66 0.42 0.07 0.00 0.00 179.01 178.96 1yx0 s ILE 46 N -5.17 3.43 0.01 -1.06 1.01 -1.21 -4.93 121.20 113.29 1yx0 s ILE 46 Ca -0.07 -1.82 0.04 0.00 0.00 0.00 0.00 60.65 58.79 1yx0 s ILE 46 Cb 0.30 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 39.95 1yx0 s ILE 46 CO 0.84 -0.31 -0.11 -0.89 0.00 0.00 0.00 174.94 174.47 1yx0 s THR 47 N -2.16 0.89 -0.19 2.92 2.01 -1.26 -4.66 115.64 113.19 1yx0 s THR 47 Ca 0.30 -0.69 -0.01 0.00 0.31 0.00 0.00 61.69 61.60 1yx0 s THR 47 Cb -0.07 -0.79 0.01 0.00 0.01 0.00 0.00 72.50 71.66 1yx0 s THR 47 CO 0.19 0.10 -0.13 0.12 -0.69 0.00 0.00 174.62 174.21 1yx0 s PHE 48 N -0.55 2.86 -0.11 4.92 2.19 -1.26 -3.62 117.98 122.40 1yx0 s PHE 48 Ca 0.02 -1.29 -0.09 0.00 0.33 0.00 0.00 56.93 55.90 1yx0 s PHE 48 Cb -0.06 -2.00 -0.04 0.00 -1.31 0.00 0.00 43.02 39.61 1yx0 s PHE 48 CO 0.00 -0.67 0.18 -1.58 1.83 0.00 0.00 175.22 174.99 1yx0 s TRP 49 N 1.32 3.59 0.38 10.12 0.51 -1.20 0.63 118.94 134.30 1yx0 s TRP 49 Ca 0.04 0.58 0.06 0.00 -2.12 0.00 0.00 56.10 54.66 1yx0 s TRP 49 Cb -0.14 -2.02 -0.07 0.00 -0.81 0.00 0.00 33.47 30.43 1yx0 s TRP 49 CO -0.08 0.66 0.03 -1.54 -0.51 0.00 0.00 176.95 175.52 1yx0 s SER 50 N -0.84 3.32 -0.07 2.95 1.04 -0.65 -1.46 113.70 117.99 1yx0 s SER 50 Ca 0.16 -1.38 -0.01 0.00 0.48 0.00 0.00 55.95 55.19 1yx0 s SER 50 Cb -0.13 -0.26 0.03 0.00 0.10 0.00 0.00 66.02 65.76 1yx0 s SER 50 CO 0.05 -0.52 0.00 0.00 0.98 0.00 0.00 173.24 173.75 1yx0 s ALA 51 N -2.93 0.64 -0.24 5.32 0.00 0.14 -3.14 121.76 121.55 1yx0 s ALA 51 Ca 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 51.96 52.16 1yx0 s ALA 51 Cb 0.09 -0.70 -0.02 0.00 0.00 0.00 0.00 23.12 22.48 1yx0 s ALA 51 CO 0.17 -0.43 0.04 -1.58 0.00 0.00 0.00 175.76 173.96 1yx0 s TRP 52 N 1.91 3.05 -0.61 0.00 0.52 0.14 0.19 118.94 124.14 1yx0 s TRP 52 Ca 0.04 -0.54 0.05 0.00 0.02 0.00 0.00 56.10 55.67 1yx0 s TRP 52 Cb -0.12 -2.20 0.20 0.00 -1.15 0.00 0.00 33.47 30.20 1yx0 s TRP 52 CO -0.05 -0.39 0.53 -1.91 0.02 0.00 0.00 176.95 175.16 1yx0 n GLU 53 N 4.84 1.63 0.00 4.98 2.13 -1.24 -1.83 120.64 131.15 1yx0 n GLU 53 Ca -0.17 -4.20 0.00 0.00 0.66 0.00 0.00 57.16 53.45 1yx0 n GLU 53 Cb 0.51 -2.08 0.00 0.00 0.27 0.00 0.00 31.44 30.14 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 1.79 0.33 0.00 8.31 0.00 -1.26 -4.71 105.19 109.65 1yx0 n GLY 54 Ca 0.24 -1.29 0.07 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 0.87 -4.54 1.61 10.43 -1.26 -4.99 116.55 118.68 1yx0 n ASP 55 Ca 0.00 -0.66 -0.25 0.00 2.57 0.00 0.00 54.79 56.45 1yx0 n ASP 55 Cb 0.00 1.14 -0.10 0.00 1.84 0.00 0.00 41.12 44.00 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 -2.49 1.85 0.15 -1.24 -1.05 -1.26 -5.09 118.70 109.56 1yx0 s GLU 56 Ca 0.03 -1.79 -0.31 0.00 -0.15 0.00 0.00 54.97 52.75 1yx0 s GLU 56 Cb 0.11 -1.81 -0.10 0.00 -0.44 0.00 0.00 34.13 31.89 1yx0 s GLU 56 CO 0.59 0.24 1.54 -0.48 0.95 0.00 0.00 175.26 178.10 1yx0 s LEU 57 N -3.59 4.37 0.02 1.83 -0.00 -1.26 -3.63 118.68 116.42 1yx0 s LEU 57 Ca 0.32 2.55 -0.14 0.00 -0.00 0.00 0.00 54.13 56.86 1yx0 s LEU 57 Cb -0.02 -3.59 -0.34 0.00 -0.00 0.00 0.00 46.19 42.24 1yx0 s LEU 57 CO 0.17 -0.80 0.96 0.00 -0.00 0.00 0.00 176.35 176.68 1yx0 h ALA 58 N 6.90 -0.09 0.00 1.48 0.00 -0.59 -3.46 119.26 123.50 1yx0 h ALA 58 Ca -0.42 -0.91 0.00 0.00 0.00 0.00 0.00 54.91 53.58 1yx0 h ALA 58 Cb 1.20 0.21 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1yx0 h ALA 58 CO 0.91 0.77 0.00 0.41 0.00 0.00 0.00 179.25 181.34 1yx0 n GLY 59 N 1.73 -1.07 3.61 0.00 0.00 -0.27 -4.82 105.19 104.37 1yx0 n GLY 59 Ca -0.17 -1.13 0.03 0.00 0.00 0.00 0.00 46.02 44.74 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 -0.53 2.08 3.63 0.00 0.00 -0.54 -4.22 105.19 105.62 1yx0 n GLY 61 Ca -0.08 -1.42 -0.27 0.00 0.00 0.00 0.00 46.02 44.25 1yx0 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yx0 s ALA 62 N -2.16 3.10 -0.27 4.61 0.00 -1.20 -3.22 121.76 122.62 1yx0 s ALA 62 Ca 0.16 -1.39 -0.05 0.00 0.00 0.00 0.00 51.96 50.68 1yx0 s ALA 62 Cb -0.01 -0.90 0.14 0.00 0.00 0.00 0.00 23.12 22.35 1yx0 s ALA 62 CO 0.12 0.49 0.54 -1.17 0.00 0.00 0.00 175.76 175.74 1yx0 s LEU 63 N -2.85 -1.03 -0.01 0.00 0.20 -1.24 -4.01 118.68 109.73 1yx0 s LEU 63 Ca 0.26 1.02 0.07 0.00 0.69 0.00 0.00 54.13 56.17 1yx0 s LEU 63 Cb -0.09 1.87 -0.02 0.00 -0.43 0.00 0.00 46.19 47.52 1yx0 s LEU 63 CO 0.17 -0.25 -0.23 -0.75 -0.29 0.00 0.00 176.35 175.00 1yx0 s LYS 64 N 2.77 1.83 0.68 1.98 2.20 -1.22 -4.05 119.74 123.92 1yx0 s LYS 64 Ca 0.06 -0.83 -0.17 0.00 -0.36 0.00 0.00 55.97 54.68 1yx0 s LYS 64 Cb -0.13 -1.78 0.01 0.00 -1.51 0.00 0.00 37.83 34.41 1yx0 s LYS 64 CO -0.18 0.49 1.28 0.39 -0.36 0.00 0.00 175.35 176.97 1yx0 n GLU 65 N 2.47 0.93 0.11 4.03 1.02 -1.26 -3.94 120.64 124.00 1yx0 n GLU 65 Ca -0.16 0.38 0.00 0.00 -0.02 0.00 0.00 57.16 57.36 1yx0 n GLU 65 Cb 0.52 -2.52 0.00 0.00 -0.02 0.00 0.00 31.44 29.42 1yx0 n GLU 65 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1yx0 n LEU 66 N -2.19 0.16 0.00 -4.62 4.32 -1.22 -4.95 117.00 108.50 1yx0 n LEU 66 Ca 0.16 0.37 0.00 0.00 -0.02 0.00 0.00 56.01 56.51 1yx0 n LEU 66 Cb 0.48 0.19 0.00 0.00 -1.62 0.00 0.00 43.42 42.48 1yx0 n LEU 66 CO 0.47 -0.76 0.00 0.47 -1.22 0.00 0.00 177.39 176.35 1yx0 n ASP 67 N -3.40 1.09 0.07 -1.43 8.00 -1.07 -5.00 116.55 114.80 1yx0 n ASP 67 Ca 0.00 -0.32 -0.14 0.00 0.71 0.00 0.00 54.79 55.04 1yx0 n ASP 67 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 41.12 41.04 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 0.32 1.39 -0.58 -3.53 1.03 -2.01 -3.36 112.91 106.17 1yx0 h THR 68 Ca 0.00 -2.45 -0.31 0.00 -0.01 0.00 0.00 66.41 63.64 1yx0 h THR 68 Cb 0.00 2.44 -0.40 0.00 -1.07 0.00 0.00 68.15 69.12 1yx0 h THR 68 CO 0.00 0.73 -1.09 -2.11 -0.01 0.00 0.00 175.52 173.05 1yx0 n ARG 69 N -3.75 1.91 -3.83 0.00 1.85 -1.26 -4.73 116.66 106.85 1yx0 n ARG 69 Ca -0.07 -3.58 -0.13 0.00 -1.00 0.00 0.00 57.85 53.07 1yx0 n ARG 69 Cb 0.85 -1.65 -0.14 0.00 -1.05 0.00 0.00 32.46 30.48 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 -3.67 -0.09 0.13 2.89 2.46 -1.26 -2.92 115.29 112.82 1yx0 s HIS 70 Ca 0.30 0.25 -0.01 0.00 0.47 0.00 0.00 55.06 56.08 1yx0 s HIS 70 Cb 0.35 0.00 -0.04 0.00 -0.13 0.00 0.00 32.58 32.76 1yx0 s HIS 70 CO -0.02 -0.06 0.03 0.20 -2.47 0.00 0.00 174.74 172.42 1yx0 s GLY 71 N 0.24 0.95 -0.06 1.59 0.00 -1.21 -2.61 107.32 106.22 1yx0 s GLY 71 Ca -0.02 -1.45 -0.09 0.00 0.00 0.00 0.00 44.72 43.16 1yx0 s GLY 71 CO -0.01 -1.38 0.23 1.85 0.00 0.00 0.00 173.10 173.79 1yx0 s GLU 72 N -4.01 0.38 -0.08 2.90 2.12 -1.25 -0.32 118.70 118.44 1yx0 s GLU 72 Ca 0.22 0.09 0.04 0.00 0.36 0.00 0.00 54.97 55.68 1yx0 s GLU 72 Cb 0.07 0.18 -0.00 0.00 0.26 0.00 0.00 34.13 34.64 1yx0 s GLU 72 CO 0.00 -0.07 -0.23 0.42 -0.54 0.00 0.00 175.26 174.84 1yx0 s ILE 73 N -0.43 1.96 -0.46 -3.70 1.09 -1.19 -3.42 121.20 115.05 1yx0 s ILE 73 Ca -0.05 -0.98 0.09 0.00 -1.10 0.00 0.00 60.65 58.61 1yx0 s ILE 73 Cb -0.04 -1.69 0.30 0.00 -1.06 0.00 0.00 42.46 39.98 1yx0 s ILE 73 CO 0.01 0.54 0.71 0.29 -0.10 0.00 0.00 174.94 176.40 1yx0 n LYS 74 N 3.38 1.58 0.00 2.79 5.02 -1.26 -2.68 118.16 127.00 1yx0 n LYS 74 Ca -0.19 -3.83 0.00 0.00 -2.02 0.00 0.00 58.31 52.27 1yx0 n LYS 74 Cb 0.53 -1.75 0.00 0.00 -0.02 0.00 0.00 35.03 33.78 1yx0 n LYS 74 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1yx0 n SER 75 N 0.60 0.00 -3.52 4.39 7.64 -1.26 -4.73 113.62 116.74 1yx0 n SER 75 Ca 0.26 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.85 1yx0 n SER 75 Cb 0.53 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.61 1yx0 n SER 75 CO 0.00 0.00 0.00 -0.32 -3.01 0.00 0.00 175.04 171.71 1yx0 s MET 76 N 0.00 0.80 -0.03 1.43 1.75 -1.26 -3.21 119.30 118.77 1yx0 s MET 76 Ca 0.00 -1.62 0.05 0.00 -1.25 0.00 0.00 55.69 52.87 1yx0 s MET 76 Cb 0.00 -1.59 -0.01 0.00 2.84 0.00 0.00 34.83 36.07 1yx0 s MET 76 CO 0.00 -1.22 -0.16 1.03 -0.65 0.00 0.00 175.02 174.01 1yx0 s ARG 77 N 0.73 1.53 0.00 4.11 0.52 -1.26 -4.91 118.95 119.67 1yx0 s ARG 77 Ca 0.20 -0.59 0.00 0.00 -0.52 0.00 0.00 55.73 54.82 1yx0 s ARG 77 Cb -0.19 -1.40 0.00 0.00 0.52 0.00 0.00 34.95 33.88 1yx0 s ARG 77 CO -0.02 0.29 0.00 2.41 0.02 0.00 0.00 175.30 178.00 1yx0 n THR 78 N 2.92 0.00 0.00 0.02 -1.04 -1.26 -4.30 114.28 110.62 1yx0 n THR 78 Ca -0.16 0.41 0.00 0.00 -2.04 0.00 0.00 64.05 62.26 1yx0 n THR 78 Cb 0.54 -1.29 0.00 0.00 -1.82 0.00 0.00 70.33 67.76 1yx0 n THR 78 CO 0.00 0.00 0.00 -0.24 -0.64 0.00 0.00 175.07 174.19 1yx0 n SER 79 N -1.92 0.00 -2.06 8.00 2.88 -1.26 -4.66 113.62 114.59 1yx0 n SER 79 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yx0 n SER 79 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 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 0.00 -2.11 0.00 -1.46 0.00 -1.26 -4.21 120.51 111.48 1yx0 n ALA 80 Ca 0.00 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.89 1yx0 n ALA 80 Cb 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 19.45 18.07 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 1.74 0.00 -0.41 0.00 2.88 -1.26 -4.65 113.62 111.93 1yx0 n SER 81 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1yx0 n SER 81 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1yx0 n SER 81 CO 0.00 0.00 0.00 1.41 -1.23 0.00 0.00 175.04 175.22 1yx0 n HIS 82 N 0.00 0.00 -1.55 0.66 -0.00 -1.26 -5.04 115.22 108.03 1yx0 n HIS 82 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 57.72 57.41 1yx0 n HIS 82 Cb 0.00 -1.13 0.06 0.00 -0.00 0.00 0.00 29.99 28.92 1yx0 n HIS 82 CO 0.00 0.00 0.00 -0.48 -0.00 0.00 0.00 176.34 175.86 1yx0 s LEU 83 N 0.00 3.17 -0.53 2.41 0.05 -1.26 -4.99 118.68 117.53 1yx0 s LEU 83 Ca 0.00 1.73 -0.20 0.00 0.05 0.00 0.00 54.13 55.71 1yx0 s LEU 83 Cb 0.00 -4.51 0.07 0.00 -2.05 0.00 0.00 46.19 39.69 1yx0 s LEU 83 CO 0.00 -1.60 0.68 -0.13 -0.55 0.00 0.00 176.35 174.75 1yx0 s ARG 84 N -4.81 3.12 0.36 1.48 3.00 -1.26 -4.55 118.95 116.29 1yx0 s ARG 84 Ca 0.60 -0.92 0.00 0.00 0.00 0.00 0.00 55.73 55.42 1yx0 s ARG 84 Cb -0.16 -4.13 0.00 0.00 0.00 0.00 0.00 34.95 30.66 1yx0 s ARG 84 CO 0.52 -1.32 0.00 1.17 0.00 0.00 0.00 175.30 175.67 1yx0 n LYS 85 N 6.36 0.00 0.00 3.54 4.81 -1.26 -5.07 118.16 126.55 1yx0 n LYS 85 Ca -0.06 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.38 1yx0 n LYS 85 Cb 0.45 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.50 1yx0 n LYS 85 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1yx0 n GLY 86 N -1.45 -0.09 0.16 3.14 0.00 -1.26 -5.06 105.19 100.64 1yx0 n GLY 86 Ca 0.00 -0.05 -0.05 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.68 1.61 2.07 -1.87 -2.00 116.25 115.38 1yx0 h VAL 87 Ca 0.00 -0.65 0.11 0.00 0.82 0.00 0.00 66.70 66.98 1yx0 h VAL 87 Cb 0.00 0.00 -0.04 0.00 -1.52 0.00 0.00 31.29 29.73 1yx0 h VAL 87 CO 0.00 0.00 0.45 0.00 0.02 0.00 0.00 177.57 178.04 1yx0 h ALA 88 N -1.20 1.99 -0.28 1.67 0.00 -1.92 0.16 119.26 119.67 1yx0 h ALA 88 Ca -0.03 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 1yx0 h ALA 88 Cb 0.25 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1yx0 h ALA 88 CO 0.06 -0.14 0.13 0.87 0.00 0.00 0.00 179.25 180.16 1yx0 h LYS 89 N 0.48 0.41 -0.31 0.00 1.57 -1.95 0.39 116.57 117.15 1yx0 h LYS 89 Ca 0.32 -0.06 0.04 0.00 -1.87 0.00 0.00 60.65 59.07 1yx0 h LYS 89 Cb 0.60 -0.07 -0.04 0.00 0.08 0.00 0.00 32.23 32.80 1yx0 h LYS 89 CO -0.10 0.40 0.10 1.96 -0.57 0.00 0.00 179.45 181.24 1yx0 h GLN 90 N 0.32 0.22 -0.08 3.15 1.08 -0.21 0.90 115.11 120.49 1yx0 h GLN 90 Ca 0.10 -0.01 -0.00 0.00 -1.45 0.00 0.00 58.65 57.28 1yx0 h GLN 90 Cb 0.13 -0.05 -0.00 0.00 -0.05 0.00 0.00 27.48 27.51 1yx0 h GLN 90 CO -0.01 0.15 0.03 0.28 -0.95 0.00 0.00 178.83 178.33 1yx0 h VAL 91 N 0.23 1.13 -0.06 -0.54 2.07 -1.05 -0.03 116.25 118.00 1yx0 h VAL 91 Ca 0.14 -0.40 0.03 0.00 0.82 0.00 0.00 66.70 67.29 1yx0 h VAL 91 Cb 0.12 1.25 -0.03 0.00 -1.52 0.00 0.00 31.29 31.12 1yx0 h VAL 91 CO -0.16 0.12 -0.10 0.25 0.02 0.00 0.00 177.57 177.70 1yx0 h LEU 92 N -0.02 -0.30 -1.30 2.57 5.85 0.24 0.20 115.31 122.55 1yx0 h LEU 92 Ca 0.03 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.92 1yx0 h LEU 92 Cb 0.16 0.14 -0.06 0.00 0.37 0.00 0.00 40.66 41.26 1yx0 h LEU 92 CO -0.00 -0.14 0.56 -0.61 -0.34 0.00 0.00 178.44 177.90 1yx0 h GLN 93 N -0.14 0.71 0.35 1.25 -0.00 0.99 0.33 115.11 118.60 1yx0 h GLN 93 Ca 0.06 -0.04 -0.02 0.00 -0.00 0.00 0.00 58.65 58.65 1yx0 h GLN 93 Cb 0.22 -0.16 0.00 0.00 0.00 0.00 0.00 27.48 27.55 1yx0 h GLN 93 CO -0.14 0.47 -0.17 1.25 0.00 0.00 0.00 178.83 180.24 1yx0 h HIS 94 N 0.73 -0.44 -0.74 3.99 2.76 0.32 0.19 115.15 121.96 1yx0 h HIS 94 Ca 0.41 -0.01 0.11 0.00 -2.20 0.00 0.00 60.37 58.68 1yx0 h HIS 94 Cb 0.58 0.15 -0.08 0.00 1.55 0.00 0.00 27.41 29.61 1yx0 h HIS 94 CO -0.00 -0.11 0.36 0.82 -1.30 0.00 0.00 177.93 177.70 1yx0 h ILE 95 N -0.81 0.81 0.59 6.26 2.04 0.06 0.76 117.51 127.21 1yx0 h ILE 95 Ca -0.05 -0.20 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1yx0 h ILE 95 Cb 0.52 0.17 0.01 0.00 -0.74 0.00 0.00 36.82 36.77 1yx0 h ILE 95 CO 0.08 0.11 -0.28 0.40 0.00 0.00 0.00 178.15 178.46 1yx0 h ILE 96 N 0.59 0.41 -0.87 -0.67 2.04 -0.28 -1.04 117.51 117.69 1yx0 h ILE 96 Ca 0.38 -0.08 0.11 0.00 1.00 0.00 0.00 64.86 66.27 1yx0 h ILE 96 Cb 0.44 0.44 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 1yx0 h ILE 96 CO -0.30 0.01 0.56 -0.08 0.00 0.00 0.00 178.15 178.34 1yx0 h GLU 97 N -0.84 0.77 -0.14 2.37 4.22 0.19 0.23 114.58 121.39 1yx0 h GLU 97 Ca -0.08 -0.05 0.01 0.00 0.08 0.00 0.00 59.36 59.32 1yx0 h GLU 97 Cb 0.62 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1yx0 h GLU 97 CO 0.13 0.51 0.06 1.49 -2.18 0.00 0.00 179.01 179.03 1yx0 h GLU 98 N 0.80 0.14 -0.15 1.92 4.22 0.93 0.71 114.58 123.15 1yx0 h GLU 98 Ca 0.41 -0.01 -0.09 0.00 0.08 0.00 0.00 59.36 59.76 1yx0 h GLU 98 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 1yx0 h GLU 98 CO -0.18 0.09 -0.31 0.00 -2.18 0.00 0.00 179.01 176.43 1yx0 h ALA 99 N 1.07 1.21 -0.72 2.92 0.00 -0.01 -2.54 119.26 121.19 1yx0 h ALA 99 Ca 0.06 -0.35 -0.05 0.00 0.00 0.00 0.00 54.91 54.57 1yx0 h ALA 99 Cb 0.02 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1yx0 h ALA 99 CO -0.04 0.52 0.26 0.93 0.00 0.00 0.00 179.25 180.92 1yx0 h GLU 100 N 0.25 1.08 0.00 0.00 5.08 0.23 0.39 114.58 121.60 1yx0 h GLU 100 Ca 0.03 -0.20 0.00 0.00 -1.00 0.00 0.00 59.36 58.19 1yx0 h GLU 100 Cb 0.67 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.75 1yx0 h GLU 100 CO 0.05 0.89 0.00 1.57 -1.00 0.00 0.00 179.01 180.52 1yx0 h LYS 101 N 1.05 0.00 0.08 2.33 5.09 -0.48 -2.98 116.57 121.66 1yx0 h LYS 101 Ca 0.24 0.00 -0.33 0.00 0.09 0.00 0.00 60.65 60.65 1yx0 h LYS 101 Cb 0.24 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 32.54 1yx0 h LYS 101 CO -0.02 0.00 -1.83 0.54 -2.09 0.00 0.00 179.45 176.06 1yx0 n ARG 102 N -2.52 0.70 0.00 0.07 1.74 -0.22 -5.02 116.66 111.40 1yx0 n ARG 102 Ca 0.02 0.34 0.00 0.00 -0.77 0.00 0.00 57.85 57.44 1yx0 n ARG 102 Cb 0.27 -1.71 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 1yx0 n ARG 102 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yx0 n GLY 103 N 1.83 0.89 3.96 -0.13 0.00 0.12 -5.10 105.19 106.76 1yx0 n GLY 103 Ca -0.33 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.47 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 -0.81 3.19 0.00 1.61 4.12 -0.77 -4.72 117.35 119.97 1yx0 s TYR 104 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.07 57.26 1yx0 s TYR 104 Cb 0.00 -2.30 0.00 0.00 -1.52 0.00 0.00 41.96 38.14 1yx0 s TYR 104 CO 0.00 -0.34 0.67 0.39 0.02 0.00 0.00 175.55 176.29 1yx0 n GLU 105 N -2.04 0.00 -3.65 -0.62 1.02 -1.18 -4.84 120.64 109.33 1yx0 n GLU 105 Ca 0.01 -0.66 -0.15 0.00 -0.02 0.00 0.00 57.16 56.35 1yx0 n GLU 105 Cb 0.58 -0.48 -0.08 0.00 -0.02 0.00 0.00 31.44 31.44 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 0.00 0.76 -0.10 3.49 3.52 -1.15 -3.71 118.95 121.77 1yx0 s ARG 106 Ca 0.00 0.46 -0.04 0.00 -0.13 0.00 0.00 55.73 56.02 1yx0 s ARG 106 Cb 0.00 0.36 0.05 0.00 -1.56 0.00 0.00 34.95 33.80 1yx0 s ARG 106 CO 0.00 -0.16 0.17 -1.17 -0.81 0.00 0.00 175.30 173.32 1yx0 s LEU 107 N -0.40 -0.08 0.40 -0.88 2.96 -1.08 -3.32 118.68 116.28 1yx0 s LEU 107 Ca -0.05 0.27 0.08 0.00 -0.22 0.00 0.00 54.13 54.20 1yx0 s LEU 107 Cb -0.03 0.29 0.00 0.00 0.50 0.00 0.00 46.19 46.95 1yx0 s LEU 107 CO 0.04 -0.25 0.52 -0.55 -1.32 0.00 0.00 176.35 174.79 1yx0 s SER 108 N 2.30 5.62 0.14 3.68 0.15 0.56 -1.46 113.70 124.69 1yx0 s SER 108 Ca 0.03 -0.43 -0.11 0.00 0.70 0.00 0.00 55.95 56.15 1yx0 s SER 108 Cb -0.12 -0.74 0.00 0.00 -1.71 0.00 0.00 66.02 63.45 1yx0 s SER 108 CO -0.06 -0.69 0.30 -1.48 1.20 0.00 0.00 173.24 172.51 1yx0 s LEU 109 N -4.29 0.93 -0.45 3.45 0.05 -1.26 -3.14 118.68 113.97 1yx0 s LEU 109 Ca 0.52 -0.71 -0.12 0.00 0.05 0.00 0.00 54.13 53.88 1yx0 s LEU 109 Cb -0.09 1.33 0.08 0.00 -2.05 0.00 0.00 46.19 45.46 1yx0 s LEU 109 CO 0.32 -0.86 0.32 -0.70 -0.55 0.00 0.00 176.35 174.88 1yx0 s GLU 110 N -3.91 2.76 -0.06 1.48 2.12 -1.09 -4.78 118.70 115.23 1yx0 s GLU 110 Ca 0.11 -1.43 -0.06 0.00 0.36 0.00 0.00 54.97 53.95 1yx0 s GLU 110 Cb 0.03 -3.94 0.01 0.00 0.26 0.00 0.00 34.13 30.49 1yx0 s GLU 110 CO -0.05 -1.00 0.16 -0.08 -0.54 0.00 0.00 175.26 173.75 1yx0 s THR 111 N 1.51 0.00 -0.20 -1.70 -1.32 -1.26 -4.99 115.64 107.69 1yx0 s THR 111 Ca 0.04 -0.04 0.18 0.00 -1.21 0.00 0.00 61.69 60.66 1yx0 s THR 111 Cb -0.24 -0.24 0.41 0.00 -1.51 0.00 0.00 72.50 70.92 1yx0 s THR 111 CO 0.04 -0.02 1.22 0.61 -2.21 0.00 0.00 174.62 174.26 1yx0 n GLY 112 N 2.92 1.55 3.74 6.08 0.00 -1.18 -4.29 105.19 114.00 1yx0 n GLY 112 Ca -0.13 -0.66 -0.28 0.00 0.00 0.00 0.00 46.02 44.94 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 -0.57 -4.72 -4.79 1.61 3.41 -1.26 -4.16 113.62 103.14 1yx0 n SER 113 Ca -0.04 -0.66 -0.38 0.00 -0.26 0.00 0.00 58.87 57.52 1yx0 n SER 113 Cb 0.88 -3.80 -0.06 0.00 -0.26 0.00 0.00 64.21 60.97 1yx0 n SER 113 CO 0.00 0.00 0.00 -0.04 -0.16 0.00 0.00 175.04 174.84 1yx0 s MET 114 N -6.44 4.17 0.48 4.33 1.00 -1.26 -4.90 119.30 116.68 1yx0 s MET 114 Ca 0.59 0.59 0.23 0.00 0.00 0.00 0.00 55.69 57.09 1yx0 s MET 114 Cb -0.30 -3.29 1.26 0.00 0.00 0.00 0.00 34.83 32.50 1yx0 s MET 114 CO 0.73 0.50 1.91 0.00 0.00 0.00 0.00 175.02 178.16 1yx0 h ALA 115 N 5.24 2.43 -0.26 3.03 0.00 -1.97 1.18 119.26 128.91 1yx0 h ALA 115 Ca -0.48 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1yx0 h ALA 115 Cb 1.21 0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.99 1yx0 h ALA 115 CO 0.66 -0.66 -0.19 1.03 0.00 0.00 0.00 179.25 180.10 1yx0 h SER 116 N 0.20 0.45 -0.53 0.00 0.87 -1.97 -3.07 113.55 109.50 1yx0 h SER 116 Ca 0.39 -0.13 -0.39 0.00 -1.23 0.00 0.00 61.79 60.43 1yx0 h SER 116 Cb 1.22 -0.12 -0.33 0.00 -0.44 0.00 0.00 62.40 62.72 1yx0 h SER 116 CO -0.08 0.65 -0.78 0.49 -0.53 0.00 0.00 176.83 176.58 1yx0 n PHE 117 N -4.17 1.92 0.04 2.24 3.72 0.23 -4.80 117.46 116.65 1yx0 n PHE 117 Ca 0.00 -2.00 -0.13 0.00 -0.05 0.00 0.00 57.45 55.27 1yx0 n PHE 117 Cb 0.36 -0.30 -0.09 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 1.93 -0.09 0.00 -1.08 5.08 0.11 -2.99 114.58 117.54 1yx0 h GLU 118 Ca 0.22 0.01 -0.05 0.00 -1.00 0.00 0.00 59.36 58.54 1yx0 h GLU 118 Cb 1.41 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.67 1yx0 h GLU 118 CO 0.52 0.20 -0.22 -1.00 -1.00 0.00 0.00 179.01 177.51 1yx0 h PRO 119 N -0.38 0.00 -0.22 2.33 0.13 -1.85 -3.14 132.00 128.86 1yx0 h PRO 119 Ca -0.01 0.00 0.04 0.00 -0.87 0.00 0.00 66.00 65.16 1yx0 h PRO 119 Cb 0.33 0.00 -0.04 0.00 0.13 0.00 0.00 31.00 31.43 1yx0 h PRO 119 CO 0.02 0.22 -0.03 0.00 -0.23 0.00 0.00 178.00 177.97 1yx0 h ALA 120 N 1.78 0.16 -0.22 -0.56 0.00 -1.85 1.28 119.26 119.85 1yx0 h ALA 120 Ca -0.00 0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.89 1yx0 h ALA 120 Cb 0.92 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.84 1yx0 h ALA 120 CO 0.03 -0.46 -0.26 0.07 0.00 0.00 0.00 179.25 178.63 1yx0 h ARG 121 N 0.03 0.41 -0.01 0.00 0.11 -1.52 0.13 114.38 113.52 1yx0 h ARG 121 Ca 0.10 -0.15 -0.13 0.00 0.10 0.00 0.00 59.98 59.91 1yx0 h ARG 121 Cb 0.15 -0.03 -0.02 0.00 1.11 0.00 0.00 29.97 31.19 1yx0 h ARG 121 CO -0.21 0.64 -0.59 0.87 0.10 0.00 0.00 179.97 180.78 1yx0 h LYS 122 N 0.37 0.03 0.07 0.08 1.57 -1.19 -1.04 116.57 116.46 1yx0 h LYS 122 Ca 0.05 -0.02 -0.28 0.00 -1.87 0.00 0.00 60.65 58.54 1yx0 h LYS 122 Cb 0.65 0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.98 1yx0 h LYS 122 CO 0.05 0.61 -1.14 1.25 -0.57 0.00 0.00 179.45 179.65 1yx0 h LEU 123 N 0.02 0.78 0.11 2.94 7.12 0.22 -2.59 115.31 123.91 1yx0 h LEU 123 Ca -0.01 -0.69 -0.01 0.00 0.13 0.00 0.00 57.88 57.31 1yx0 h LEU 123 Cb 1.05 -0.24 0.00 0.00 -0.53 0.00 0.00 40.66 40.94 1yx0 h LEU 123 CO 0.08 1.49 -0.06 1.88 -0.13 0.00 0.00 178.44 181.71 1yx0 h TYR 124 N 0.28 -0.14 -0.35 1.25 0.05 -0.62 -2.79 116.97 114.65 1yx0 h TYR 124 Ca -0.15 -0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.65 1yx0 h TYR 124 Cb 1.81 0.05 -0.02 0.00 1.01 0.00 0.00 36.73 39.57 1yx0 h TYR 124 CO 0.10 0.12 0.23 1.05 -1.05 0.00 0.00 178.16 178.61 1yx0 h GLU 125 N -0.40 0.39 0.00 4.88 -0.00 -1.29 0.30 114.58 118.46 1yx0 h GLU 125 Ca -0.02 -0.02 0.00 0.00 -0.00 0.00 0.00 59.36 59.32 1yx0 h GLU 125 Cb 0.33 -0.09 0.00 0.00 -0.00 0.00 0.00 28.75 28.99 1yx0 h GLU 125 CO 0.03 0.26 0.00 0.45 -0.00 0.00 0.00 179.01 179.75 1yx0 n SER 126 N -4.49 0.25 0.01 3.06 2.88 -0.98 -1.51 113.62 112.84 1yx0 n SER 126 Ca 0.03 0.57 0.11 0.00 -1.33 0.00 0.00 58.87 58.24 1yx0 n SER 126 Cb 0.11 -0.62 -0.12 0.00 -0.75 0.00 0.00 64.21 62.84 1yx0 n SER 126 CO 0.00 0.00 0.00 0.33 -1.23 0.00 0.00 175.04 174.14 1yx0 n PHE 127 N -1.78 0.11 0.00 0.66 -0.00 0.10 -4.97 117.46 111.58 1yx0 n PHE 127 Ca 0.03 0.03 0.00 0.00 -0.00 0.00 0.00 57.45 57.51 1yx0 n PHE 127 Cb 0.17 -0.42 0.00 0.00 -0.00 0.00 0.00 39.48 39.23 1yx0 n PHE 127 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1yx0 n GLY 128 N 1.32 2.96 3.07 7.13 0.00 -0.57 -5.11 105.19 114.00 1yx0 n GLY 128 Ca -0.01 -0.44 -0.45 0.00 0.00 0.00 0.00 46.02 45.11 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 -0.19 -4.25 1.61 3.72 -1.06 -4.88 117.46 112.41 1yx0 n PHE 129 Ca 0.00 0.89 -0.20 0.00 -0.05 0.00 0.00 57.45 58.09 1yx0 n PHE 129 Cb 0.00 -1.79 -0.12 0.00 -0.94 0.00 0.00 39.48 36.63 1yx0 n PHE 129 CO 0.00 0.00 0.00 1.14 -0.05 0.00 0.00 176.76 177.85 1yx0 s GLN 130 N -0.68 1.03 0.60 -1.08 0.00 -0.12 -4.08 119.66 115.33 1yx0 s GLN 130 Ca 0.63 -1.16 -0.20 0.00 -0.00 0.00 0.00 55.36 54.64 1yx0 s GLN 130 Cb -0.91 -1.09 -0.03 0.00 0.00 0.00 0.00 33.01 30.98 1yx0 s GLN 130 CO 0.50 0.24 1.33 0.71 0.00 0.00 0.00 175.29 178.07 1yx0 s TYR 131 N -1.57 2.17 0.15 9.60 1.51 -1.26 0.80 117.35 128.75 1yx0 s TYR 131 Ca 0.06 1.42 -0.23 0.00 -1.01 0.00 0.00 57.07 57.31 1yx0 s TYR 131 Cb -0.08 -3.76 0.08 0.00 -0.11 0.00 0.00 41.96 38.09 1yx0 s TYR 131 CO 0.04 -2.94 1.08 0.00 -1.11 0.00 0.00 175.55 172.62 1yx0 n GLU 133 N -0.75 0.60 -1.56 0.00 -0.58 -1.26 -4.36 120.64 112.72 1yx0 n GLU 133 Ca -0.01 0.23 -0.30 0.00 -0.42 0.00 0.00 57.16 56.65 1yx0 n GLU 133 Cb 0.59 -1.76 0.07 0.00 -0.57 0.00 0.00 31.44 29.77 1yx0 n GLU 133 CO 0.00 0.00 0.00 -1.25 -0.48 0.00 0.00 177.13 175.40 1yx0 s PRO 134 N -2.13 2.50 0.00 3.49 0.04 -1.26 -4.74 135.00 132.89 1yx0 s PRO 134 Ca 0.69 0.79 0.00 0.00 0.04 0.00 0.00 61.00 62.52 1yx0 s PRO 134 Cb -0.46 -1.95 0.00 0.00 0.04 0.00 0.00 34.50 32.13 1yx0 s PRO 134 CO 0.54 -1.37 0.00 1.19 0.04 0.00 0.00 177.00 177.40 1yx0 n PHE 135 N -3.29 -0.38 -0.95 0.56 3.72 -1.26 -5.11 117.46 110.75 1yx0 n PHE 135 Ca 0.07 0.00 -0.35 0.00 -0.05 0.00 0.00 57.45 57.12 1yx0 n PHE 135 Cb 0.55 0.29 0.07 0.00 -0.94 0.00 0.00 39.48 39.45 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 -2.09 -4.21 -0.31 4.37 0.00 -1.26 -4.76 120.51 112.26 1yx0 n ALA 136 Ca 0.00 -0.62 0.06 0.00 0.00 0.00 0.00 53.44 52.88 1yx0 n ALA 136 Cb 0.00 -1.42 0.14 0.00 0.00 0.00 0.00 19.45 18.18 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 -1.14 -0.73 -2.88 0.00 1.82 -2.00 -3.39 116.42 108.10 1yx0 h ASP 137 Ca -0.44 0.26 -0.59 0.00 -0.39 0.00 0.00 57.03 55.88 1yx0 h ASP 137 Cb 1.30 0.52 0.11 0.00 0.68 0.00 0.00 39.33 41.94 1yx0 h ASP 137 CO 0.29 -0.29 0.33 -1.22 -1.61 0.00 0.00 179.24 176.73 1yx0 n TYR 138 N -5.54 1.79 -3.69 0.28 4.01 -1.26 -5.00 117.16 107.75 1yx0 n TYR 138 Ca 0.15 0.62 -0.25 0.00 -0.16 0.00 0.00 57.90 58.26 1yx0 n TYR 138 Cb 0.49 -2.34 0.01 0.00 -0.31 0.00 0.00 39.34 37.20 1yx0 n TYR 138 CO 0.00 0.00 0.00 0.20 -0.46 0.00 0.00 176.86 176.60 1yx0 s GLY 139 N -0.40 2.22 1.02 2.72 0.00 -1.26 -4.65 107.32 106.97 1yx0 s GLY 139 Ca 0.58 -1.44 -0.22 0.00 0.00 0.00 0.00 44.72 43.64 1yx0 s GLY 139 CO 0.61 -1.89 -0.89 1.18 0.00 0.00 0.00 173.10 172.10 1yx0 n GLU 140 N -1.90 -0.29 0.00 2.90 1.02 -1.26 -4.95 120.64 116.15 1yx0 n GLU 140 Ca 0.02 -0.08 0.00 0.00 -0.02 0.00 0.00 57.16 57.09 1yx0 n GLU 140 Cb 0.64 -1.20 0.00 0.00 -0.02 0.00 0.00 31.44 30.86 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 2.17 0.00 0.00 1.62 8.00 -1.26 -4.97 116.55 122.11 1yx0 n ASP 141 Ca -0.01 0.00 0.12 0.00 0.71 0.00 0.00 54.79 55.61 1yx0 n ASP 141 Cb 0.66 0.00 0.70 0.00 -0.02 0.00 0.00 41.12 42.46 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 -0.44 0.72 -3.02 -0.24 -0.04 -1.26 -3.89 135.00 126.82 1yx0 n PRO 142 Ca 0.00 0.01 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1yx0 n PRO 142 Cb 0.00 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 31.93 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 -1.02 -1.78 -3.64 3.54 4.13 -1.26 -5.11 115.26 110.12 1yx0 n ASN 143 Ca 0.18 -2.80 -0.07 0.00 1.68 0.00 0.00 54.58 53.57 1yx0 n ASN 143 Cb 0.09 0.64 -0.07 0.00 -1.54 0.00 0.00 39.78 38.90 1yx0 n ASN 143 CO 0.00 0.00 0.00 -0.55 0.28 0.00 0.00 177.26 176.99 1yx0 s SER 144 N -0.30 -0.69 0.04 6.41 0.15 -1.25 -4.74 113.70 113.33 1yx0 s SER 144 Ca 0.32 1.15 0.02 0.00 0.70 0.00 0.00 55.95 58.15 1yx0 s SER 144 Cb 0.09 1.25 -0.02 0.00 -1.71 0.00 0.00 66.02 65.63 1yx0 s SER 144 CO -0.15 -0.19 -0.08 0.68 1.20 0.00 0.00 173.24 174.70 1yx0 s VAL 145 N 1.14 0.58 -0.04 4.45 -7.23 -1.26 -4.82 120.40 113.22 1yx0 s VAL 145 Ca -0.06 -1.03 -0.07 0.00 -1.81 0.00 0.00 61.98 59.00 1yx0 s VAL 145 Cb -0.05 -0.63 0.01 0.00 0.56 0.00 0.00 36.38 36.28 1yx0 s VAL 145 CO -0.13 -0.33 0.18 -0.36 -0.31 0.00 0.00 175.10 174.15 1yx0 s PHE 146 N -1.28 -0.13 0.03 2.82 0.40 -1.26 -3.12 117.98 115.45 1yx0 s PHE 146 Ca -0.08 0.29 -0.03 0.00 -0.60 0.00 0.00 56.93 56.51 1yx0 s PHE 146 Cb -0.09 0.03 -0.02 0.00 0.51 0.00 0.00 43.02 43.45 1yx0 s PHE 146 CO 0.01 -0.17 0.03 0.00 0.70 0.00 0.00 175.22 175.78 1yx0 s MET 147 N -0.44 0.49 0.15 0.44 0.23 -1.26 -0.20 119.30 118.71 1yx0 s MET 147 Ca -0.05 -0.79 0.07 0.00 -1.03 0.00 0.00 55.69 53.89 1yx0 s MET 147 Cb -0.04 0.18 -0.04 0.00 -1.53 0.00 0.00 34.83 33.41 1yx0 s MET 147 CO 0.01 -0.10 -0.16 -0.08 -2.03 0.00 0.00 175.02 172.66 1yx0 s THR 148 N -2.43 1.59 0.01 3.16 -1.32 0.24 -4.25 115.64 112.64 1yx0 s THR 148 Ca -0.07 -1.89 0.04 0.00 -1.21 0.00 0.00 61.69 58.56 1yx0 s THR 148 Cb -0.03 -1.76 -0.03 0.00 -1.51 0.00 0.00 72.50 69.17 1yx0 s THR 148 CO -0.04 -0.42 -0.08 -0.75 -2.21 0.00 0.00 174.62 171.13 1yx0 s LYS 149 N -2.92 2.50 -0.35 7.08 2.36 -0.54 -0.94 119.74 126.93 1yx0 s LYS 149 Ca 0.14 -0.75 -0.05 0.00 -2.55 0.00 0.00 55.97 52.76 1yx0 s LYS 149 Cb -0.04 -2.47 0.06 0.00 -1.05 0.00 0.00 37.83 34.32 1yx0 s LYS 149 CO 0.05 0.59 0.11 0.21 1.55 0.00 0.00 175.35 177.87 1yx0 s LYS 150 N -1.44 2.48 0.00 4.03 2.20 -1.26 -2.65 119.74 123.10 1yx0 s LYS 150 Ca 0.17 -1.34 0.30 0.00 -0.36 0.00 0.00 55.97 54.74 1yx0 s LYS 150 Cb -0.11 -3.45 1.40 0.00 -1.51 0.00 0.00 37.83 34.16 1yx0 s LYS 150 CO 0.08 -0.76 1.94 -0.11 -0.36 0.00 0.00 175.35 176.14