#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ny1 s PRO 25 N 0.00 3.46 -0.38 5.55 0.04 -1.26 -4.68 135.00 137.72 1ny1 s PRO 25 Ca 0.00 1.25 0.05 0.00 0.04 0.00 0.00 61.00 62.34 1ny1 s PRO 25 Cb 0.00 -2.05 0.46 0.00 0.04 0.00 0.00 34.50 32.95 1ny1 s PRO 25 CO 0.00 -0.70 1.43 -1.71 0.04 0.00 0.00 177.00 176.06 1ny1 n ASN 26 N -1.72 5.20 -4.65 6.66 4.05 -1.26 -1.71 115.26 121.83 1ny1 n ASN 26 Ca 0.09 -3.77 -0.43 0.00 0.45 0.00 0.00 54.58 50.92 1ny1 n ASN 26 Cb 0.53 -0.54 -0.02 0.00 1.23 0.00 0.00 39.78 40.98 1ny1 n ASN 26 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 177.26 173.51 1ny1 s GLU 27 N -3.60 4.11 0.21 1.20 2.56 -1.26 -4.97 118.70 116.95 1ny1 s GLU 27 Ca 0.53 1.38 -0.32 0.00 0.00 0.00 0.00 54.97 56.56 1ny1 s GLU 27 Cb 0.43 -3.77 -0.15 0.00 2.00 0.00 0.00 34.13 32.64 1ny1 s GLU 27 CO 0.02 -0.85 1.25 -2.30 -0.56 0.00 0.00 175.26 172.82 1ny1 n PRO 28 N 6.82 1.54 -4.16 4.30 -0.02 -1.26 -4.53 135.00 137.68 1ny1 n PRO 28 Ca 0.13 0.55 -0.19 0.00 -2.02 0.00 0.00 63.50 61.97 1ny1 n PRO 28 Cb 0.46 -2.10 -0.16 0.00 -0.02 0.00 0.00 33.50 31.68 1ny1 n PRO 28 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1ny1 s ILE 29 N -0.20 0.50 -0.22 4.25 1.01 0.14 -4.98 121.20 121.70 1ny1 s ILE 29 Ca 0.70 -0.14 -0.08 0.00 0.00 0.00 0.00 60.65 61.14 1ny1 s ILE 29 Cb -0.76 -0.51 -0.04 0.00 0.01 0.00 0.00 42.46 41.17 1ny1 s ILE 29 CO 0.52 0.20 0.08 0.20 0.00 0.00 0.00 174.94 175.94 1ny1 s ASN 30 N 0.69 5.50 0.06 3.58 -0.87 -1.26 -0.65 114.94 121.99 1ny1 s ASN 30 Ca -0.09 -0.03 -0.31 0.00 -1.57 0.00 0.00 52.86 50.86 1ny1 s ASN 30 Cb -0.12 -1.97 -0.08 0.00 -0.02 0.00 0.00 41.25 39.06 1ny1 s ASN 30 CO 0.00 0.07 1.65 0.86 -2.57 0.00 0.00 177.10 177.12 1ny1 s TRP 31 N 0.99 2.40 0.22 2.20 -0.11 -0.18 -4.95 118.94 119.50 1ny1 s TRP 31 Ca 0.04 0.31 -0.22 0.00 1.22 0.00 0.00 56.10 57.45 1ny1 s TRP 31 Cb -0.14 -3.96 0.05 0.00 -1.50 0.00 0.00 33.47 27.91 1ny1 s TRP 31 CO 0.03 -3.88 0.67 0.20 -4.62 0.00 0.00 176.95 169.35 1ny1 s GLY 32 N 2.45 -0.35 -0.17 5.86 0.00 -1.26 -4.97 107.32 108.87 1ny1 s GLY 32 Ca 0.74 0.10 -0.33 0.00 0.00 0.00 0.00 44.72 45.23 1ny1 s GLY 32 CO 0.32 0.04 1.15 -0.11 0.00 0.00 0.00 173.10 174.50 1ny1 s PHE 33 N -3.82 -0.18 0.15 1.90 -0.12 -1.26 -4.83 117.98 109.82 1ny1 s PHE 33 Ca 0.06 0.18 -0.30 0.00 -0.05 0.00 0.00 56.93 56.82 1ny1 s PHE 33 Cb -0.03 0.50 -0.07 0.00 -0.63 0.00 0.00 43.02 42.79 1ny1 s PHE 33 CO -0.03 -0.25 1.13 0.15 -0.05 0.00 0.00 175.22 176.18 1ny1 s LYS 34 N -2.10 4.54 0.67 1.99 1.02 -1.26 -4.96 119.74 119.64 1ny1 s LYS 34 Ca 0.07 1.74 -0.17 0.00 0.02 0.00 0.00 55.97 57.64 1ny1 s LYS 34 Cb -0.01 -3.29 -0.03 0.00 -0.52 0.00 0.00 37.83 33.98 1ny1 s LYS 34 CO -0.05 -0.02 0.79 0.54 -0.92 0.00 0.00 175.35 175.69 1ny1 n ARG 35 N 2.76 0.54 -1.94 1.68 1.74 -1.26 -4.61 116.66 115.57 1ny1 n ARG 35 Ca 0.04 0.23 -0.41 0.00 -0.77 0.00 0.00 57.85 56.94 1ny1 n ARG 35 Cb 0.46 -2.04 -0.02 0.00 -1.02 0.00 0.00 32.46 29.85 1ny1 n ARG 35 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ny1 s SER 36 N -1.44 6.57 0.08 0.55 0.15 -1.26 -4.89 113.70 113.45 1ny1 s SER 36 Ca 0.71 2.77 0.07 0.00 0.70 0.00 0.00 55.95 60.21 1ny1 s SER 36 Cb -0.38 -2.63 -0.03 0.00 -1.71 0.00 0.00 66.02 61.27 1ny1 s SER 36 CO 0.52 -0.76 -0.20 0.68 1.20 0.00 0.00 173.24 174.68 1ny1 s VAL 37 N -0.20 1.62 -1.58 4.45 -7.23 -1.26 -4.70 120.40 111.51 1ny1 s VAL 37 Ca 0.59 -1.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.39 1ny1 s VAL 37 Cb -0.44 -1.45 0.00 0.00 0.56 0.00 0.00 36.38 35.05 1ny1 s VAL 37 CO 0.47 0.03 0.00 0.59 -0.31 0.00 0.00 175.10 175.87 1ny1 n ASN 38 N 1.41 -4.75 -2.81 4.85 5.03 -1.26 -1.61 115.26 116.13 1ny1 n ASN 38 Ca -0.19 0.22 -0.22 0.00 0.87 0.00 0.00 54.58 55.26 1ny1 n ASN 38 Cb 0.54 -4.10 0.02 0.00 -1.02 0.00 0.00 39.78 35.21 1ny1 n ASN 38 CO 0.00 0.00 0.00 1.41 -1.83 0.00 0.00 177.26 176.84 1ny1 n HIS 39 N -3.07 -1.63 -4.36 3.10 8.25 -1.26 -4.99 115.22 111.27 1ny1 n HIS 39 Ca -0.19 0.33 -0.33 0.00 -0.26 0.00 0.00 57.72 57.27 1ny1 n HIS 39 Cb 0.61 -4.19 -0.09 0.00 1.12 0.00 0.00 29.99 27.44 1ny1 n HIS 39 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1ny1 s GLN 40 N -5.48 2.77 0.19 -0.41 -1.52 -0.63 -4.34 119.66 110.24 1ny1 s GLN 40 Ca 0.20 -0.60 -0.33 0.00 -1.95 0.00 0.00 55.36 52.68 1ny1 s GLN 40 Cb -0.09 -2.65 -0.13 0.00 -0.22 0.00 0.00 33.01 29.92 1ny1 s GLN 40 CO 0.24 0.63 1.63 -2.30 -0.25 0.00 0.00 175.29 175.25 1ny1 n PRO 41 N 1.60 2.41 -1.20 2.91 -0.02 -1.26 -3.99 135.00 135.45 1ny1 n PRO 41 Ca -0.16 0.87 -0.29 0.00 -2.02 0.00 0.00 63.50 61.90 1ny1 n PRO 41 Cb 0.53 -2.66 0.19 0.00 -0.02 0.00 0.00 33.50 31.53 1ny1 n PRO 41 CO 0.00 0.00 0.00 -1.25 1.98 0.00 0.00 175.50 176.23 1ny1 s PRO 42 N 0.89 0.10 -0.03 0.52 0.04 -1.26 -4.97 135.00 130.29 1ny1 s PRO 42 Ca 0.76 0.33 0.01 0.00 0.04 0.00 0.00 61.00 62.14 1ny1 s PRO 42 Cb -0.60 -1.71 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1ny1 s PRO 42 CO 0.37 -2.91 -0.01 0.34 0.04 0.00 0.00 177.00 174.83 1ny1 s ASP 43 N -3.64 0.44 0.00 6.66 2.15 -1.26 -5.03 116.67 116.00 1ny1 s ASP 43 Ca 0.67 -0.04 0.29 0.00 0.43 0.00 0.00 52.55 53.90 1ny1 s ASP 43 Cb -0.16 -0.21 1.37 0.00 -0.30 0.00 0.00 42.92 43.61 1ny1 s ASP 43 CO 0.57 -0.07 1.94 0.00 -0.17 0.00 0.00 175.17 177.44 1ny1 n ALA 44 N 3.95 2.68 0.00 3.66 0.00 -1.26 -4.56 120.51 124.99 1ny1 n ALA 44 Ca -0.25 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 52.95 1ny1 n ALA 44 Cb 0.52 -1.39 0.00 0.00 0.00 0.00 0.00 19.45 18.58 1ny1 n ALA 44 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ny1 n GLY 45 N 1.24 2.47 0.25 0.00 0.00 -1.26 -4.45 105.19 103.45 1ny1 n GLY 45 Ca 0.16 -1.85 0.09 0.00 0.00 0.00 0.00 46.02 44.43 1ny1 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ny1 h LYS 46 N 0.00 0.00 0.04 1.61 1.57 -1.98 -0.54 116.57 117.27 1ny1 h LYS 46 Ca 0.00 0.00 -0.00 0.00 -1.87 0.00 0.00 60.65 58.78 1ny1 h LYS 46 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 1ny1 h LYS 46 CO 0.00 0.13 -0.02 0.37 -0.57 0.00 0.00 179.45 179.36 1ny1 h GLN 47 N 0.00 -0.06 -0.25 3.15 4.15 -2.00 -2.23 115.11 117.87 1ny1 h GLN 47 Ca -0.00 0.00 -0.16 0.00 0.77 0.00 0.00 58.65 59.26 1ny1 h GLN 47 Cb 0.28 0.01 -0.01 0.00 0.21 0.00 0.00 27.48 27.98 1ny1 h GLN 47 CO 0.02 0.40 -0.50 -0.07 -1.93 0.00 0.00 178.83 176.75 1ny1 h LEU 48 N -0.53 0.75 -0.96 -2.39 3.38 -1.75 -2.78 115.31 111.02 1ny1 h LEU 48 Ca -0.01 -0.38 0.04 0.00 0.09 0.00 0.00 57.88 57.62 1ny1 h LEU 48 Cb 0.48 -0.21 -0.06 0.00 0.09 0.00 0.00 40.66 40.96 1ny1 h LEU 48 CO 0.01 1.11 0.63 0.78 0.09 0.00 0.00 178.44 181.06 1ny1 h ASN 49 N 0.54 1.05 -0.39 -0.43 -0.26 -1.13 0.27 115.58 115.22 1ny1 h ASN 49 Ca 0.02 -0.01 -0.09 0.00 -0.56 0.00 0.00 56.30 55.66 1ny1 h ASN 49 Cb 1.05 -0.24 -0.01 0.00 -1.06 0.00 0.00 38.32 38.06 1ny1 h ASN 49 CO 0.10 0.72 -0.12 0.28 -1.06 0.00 0.00 177.43 177.35 1ny1 h SER 50 N 1.22 0.78 -0.50 5.81 0.02 -1.32 -0.17 113.55 119.38 1ny1 h SER 50 Ca 0.38 -0.38 -0.09 0.00 -0.84 0.00 0.00 61.79 60.87 1ny1 h SER 50 Cb 0.00 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.31 1ny1 h SER 50 CO -0.12 0.98 -0.03 0.25 -1.14 0.00 0.00 176.83 176.77 1ny1 h LEU 51 N 0.57 0.89 0.12 5.07 5.85 -1.16 -0.85 115.31 125.81 1ny1 h LEU 51 Ca 0.10 -0.32 -0.01 0.00 0.84 0.00 0.00 57.88 58.49 1ny1 h LEU 51 Cb 0.65 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.44 1ny1 h LEU 51 CO 0.04 1.00 -0.06 0.40 -0.34 0.00 0.00 178.44 179.49 1ny1 h ILE 52 N 0.77 0.98 0.00 4.05 5.03 -0.39 -2.83 117.51 125.12 1ny1 h ILE 52 Ca 0.14 -0.38 -0.03 0.00 -0.12 0.00 0.00 64.86 64.47 1ny1 h ILE 52 Cb 0.55 1.22 -0.00 0.00 -3.03 0.00 0.00 36.82 35.57 1ny1 h ILE 52 CO 0.03 0.09 -0.13 -0.08 -0.68 0.00 0.00 178.15 177.38 1ny1 h GLU 53 N -0.34 0.00 0.00 2.37 4.57 -0.99 -1.99 114.58 118.20 1ny1 h GLU 53 Ca -0.02 0.00 -0.09 0.00 -1.18 0.00 0.00 59.36 58.08 1ny1 h GLU 53 Cb 0.27 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 28.85 1ny1 h GLU 53 CO 0.03 0.13 -0.42 -0.22 -1.18 0.00 0.00 179.01 177.35 1ny1 h LYS 54 N 0.00 0.00 -0.13 1.92 3.64 -0.90 -3.16 116.57 117.94 1ny1 h LYS 54 Ca -0.00 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1ny1 h LYS 54 Cb 0.32 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.14 1ny1 h LYS 54 CO 0.02 0.42 0.00 0.66 -2.27 0.00 0.00 179.45 178.27 1ny1 n TYR 55 N -3.98 0.39 -0.28 1.91 4.01 -0.95 -4.98 117.16 113.27 1ny1 n TYR 55 Ca -0.02 -0.85 0.00 0.00 -0.16 0.00 0.00 57.90 56.87 1ny1 n TYR 55 Cb 0.45 -0.19 0.00 0.00 -0.31 0.00 0.00 39.34 39.29 1ny1 n TYR 55 CO 0.00 0.00 0.00 -0.25 -0.46 0.00 0.00 176.86 176.15 1ny1 n ASP 56 N -0.82 0.00 -4.54 7.72 8.00 -0.87 -4.85 116.55 121.20 1ny1 n ASP 56 Ca 0.16 0.00 -0.29 0.00 0.71 0.00 0.00 54.79 55.37 1ny1 n ASP 56 Cb 0.67 -0.90 0.23 0.00 -0.02 0.00 0.00 41.12 41.09 1ny1 n ASP 56 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ny1 s ALA 57 N -2.22 0.05 0.13 2.24 0.00 -0.80 -4.84 121.76 116.32 1ny1 s ALA 57 Ca 0.00 0.11 -0.24 0.00 0.00 0.00 0.00 51.96 51.83 1ny1 s ALA 57 Cb 0.00 -3.32 0.07 0.00 0.00 0.00 0.00 23.12 19.88 1ny1 s ALA 57 CO 0.00 -3.58 0.64 -0.59 0.00 0.00 0.00 175.76 172.24 1ny1 s PHE 58 N -2.50 -0.51 0.00 0.00 -0.12 -1.06 -4.38 117.98 109.41 1ny1 s PHE 58 Ca 0.68 0.32 0.00 0.00 -0.05 0.00 0.00 56.93 57.88 1ny1 s PHE 58 Cb -0.25 0.56 0.00 0.00 -0.63 0.00 0.00 43.02 42.70 1ny1 s PHE 58 CO 0.63 -0.80 0.18 2.48 -0.05 0.00 0.00 175.22 177.66 1ny1 n TYR 59 N -0.36 0.00 -4.13 3.49 0.18 -1.26 -0.99 117.16 114.09 1ny1 n TYR 59 Ca -0.16 0.00 -0.12 0.00 1.88 0.00 0.00 57.90 59.50 1ny1 n TYR 59 Cb 0.64 0.00 -0.11 0.00 -0.38 0.00 0.00 39.34 39.50 1ny1 n TYR 59 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 1ny1 s LEU 60 N -0.20 2.41 0.00 -3.48 1.43 -1.26 -3.37 118.68 114.21 1ny1 s LEU 60 Ca 0.00 -0.83 0.00 0.00 -1.03 0.00 0.00 54.13 52.27 1ny1 s LEU 60 Cb 0.00 -0.13 0.00 0.00 0.03 0.00 0.00 46.19 46.09 1ny1 s LEU 60 CO 0.00 -0.35 0.00 0.61 0.23 0.00 0.00 176.35 176.84 1ny1 n GLY 61 N 0.55 2.60 3.56 -3.19 0.00 0.45 -4.99 105.19 104.16 1ny1 n GLY 61 Ca -0.16 -1.76 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 1ny1 n GLY 61 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1ny1 s ASN 62 N -0.57 6.13 0.00 1.61 3.04 -1.26 -4.83 114.94 119.06 1ny1 s ASN 62 Ca 0.00 -0.23 0.29 0.00 0.04 0.00 0.00 52.86 52.96 1ny1 s ASN 62 Cb 0.00 -2.56 1.61 0.00 -1.54 0.00 0.00 41.25 38.77 1ny1 s ASN 62 CO 0.00 -1.82 2.06 0.35 -3.04 0.00 0.00 177.10 174.66 1ny1 n THR 63 N 6.54 0.03 1.56 -5.21 -2.24 -1.26 -3.11 114.28 110.60 1ny1 n THR 63 Ca 0.06 0.01 0.13 0.00 -2.27 0.00 0.00 64.05 61.98 1ny1 n THR 63 Cb 0.49 -0.53 0.57 0.00 -2.10 0.00 0.00 70.33 68.76 1ny1 n THR 63 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1ny1 n LYS 64 N -1.15 1.52 -4.01 -0.78 4.76 -1.26 -4.71 118.16 112.53 1ny1 n LYS 64 Ca 0.18 -0.76 -0.09 0.00 -2.87 0.00 0.00 58.31 54.77 1ny1 n LYS 64 Cb 0.17 -1.46 -0.11 0.00 -1.84 0.00 0.00 35.03 31.80 1ny1 n LYS 64 CO 0.00 0.00 0.00 -1.83 -1.37 0.00 0.00 177.40 174.20 1ny1 s GLU 65 N -1.96 0.39 -1.13 1.97 -1.05 -1.18 -5.06 118.70 110.68 1ny1 s GLU 65 Ca 0.38 -0.77 -0.19 0.00 -0.15 0.00 0.00 54.97 54.24 1ny1 s GLU 65 Cb 0.20 0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.97 1ny1 s GLU 65 CO 0.32 -0.06 2.01 1.17 0.95 0.00 0.00 175.26 179.65 1ny1 n LYS 66 N 1.21 2.21 -4.55 -4.83 4.81 -1.26 -3.55 118.16 112.20 1ny1 n LYS 66 Ca -0.21 -2.37 -0.24 0.00 -0.87 0.00 0.00 58.31 54.62 1ny1 n LYS 66 Cb 0.57 -3.22 -0.14 0.00 0.02 0.00 0.00 35.03 32.26 1ny1 n LYS 66 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1ny1 s THR 67 N 4.98 1.56 0.02 3.15 2.01 -1.26 -1.27 115.64 124.83 1ny1 s THR 67 Ca 0.55 -1.19 0.05 0.00 0.31 0.00 0.00 61.69 61.40 1ny1 s THR 67 Cb 0.11 -1.37 -0.02 0.00 0.01 0.00 0.00 72.50 71.23 1ny1 s THR 67 CO 0.04 0.14 -0.14 -0.63 -0.69 0.00 0.00 174.62 173.34 1ny1 s ILE 68 N -0.85 1.14 -0.20 1.82 1.01 -0.23 0.12 121.20 124.00 1ny1 s ILE 68 Ca 0.06 -0.82 0.01 0.00 0.00 0.00 0.00 60.65 59.90 1ny1 s ILE 68 Cb -0.09 -0.99 0.02 0.00 0.01 0.00 0.00 42.46 41.42 1ny1 s ILE 68 CO 0.02 0.16 -0.16 -0.31 0.00 0.00 0.00 174.94 174.65 1ny1 s TYR 69 N -0.60 2.90 -0.09 3.97 2.02 -0.19 -1.09 117.35 124.27 1ny1 s TYR 69 Ca 0.04 -1.67 -0.20 0.00 -0.37 0.00 0.00 57.07 54.86 1ny1 s TYR 69 Cb -0.07 -1.95 -0.04 0.00 -0.40 0.00 0.00 41.96 39.50 1ny1 s TYR 69 CO 0.00 -0.79 0.56 -0.51 -1.57 0.00 0.00 175.55 173.25 1ny1 s LEU 70 N 1.28 4.30 0.11 -1.29 1.43 -1.25 -1.14 118.68 122.11 1ny1 s LEU 70 Ca 0.02 0.97 0.03 0.00 -1.03 0.00 0.00 54.13 54.13 1ny1 s LEU 70 Cb -0.15 -2.85 -0.04 0.00 0.03 0.00 0.00 46.19 43.19 1ny1 s LEU 70 CO -0.10 -0.04 -0.09 0.42 0.23 0.00 0.00 176.35 176.77 1ny1 s THR 71 N 0.64 0.93 0.04 5.49 -4.23 -0.40 -2.20 115.64 115.91 1ny1 s THR 71 Ca 0.30 -1.78 0.02 0.00 -1.18 0.00 0.00 61.69 59.05 1ny1 s THR 71 Cb -0.16 -1.51 -0.02 0.00 1.34 0.00 0.00 72.50 72.14 1ny1 s THR 71 CO 0.14 -0.66 -0.07 -0.36 -0.54 0.00 0.00 174.62 173.12 1ny1 s PHE 72 N -2.86 0.63 -0.15 3.99 0.40 0.94 -1.45 117.98 119.48 1ny1 s PHE 72 Ca 0.09 -0.51 -0.02 0.00 -0.60 0.00 0.00 56.93 55.89 1ny1 s PHE 72 Cb -0.00 -0.38 -0.02 0.00 0.51 0.00 0.00 43.02 43.13 1ny1 s PHE 72 CO -0.01 -0.10 -0.08 -0.51 0.70 0.00 0.00 175.22 175.22 1ny1 s ASP 73 N -1.59 4.39 -0.30 1.36 1.11 -0.69 0.09 116.67 121.02 1ny1 s ASP 73 Ca -0.10 -0.24 0.00 0.00 0.18 0.00 0.00 52.55 52.39 1ny1 s ASP 73 Cb -0.10 -1.70 0.09 0.00 1.07 0.00 0.00 42.92 42.29 1ny1 s ASP 73 CO 0.00 0.15 0.07 0.20 1.18 0.00 0.00 175.17 176.77 1ny1 s ASN 74 N 0.45 4.15 -0.16 0.27 0.01 0.26 -4.49 114.94 115.42 1ny1 s ASN 74 Ca -0.07 -1.68 0.17 0.00 -0.71 0.00 0.00 52.86 50.57 1ny1 s ASN 74 Cb -0.15 -1.08 -0.23 0.00 0.41 0.00 0.00 41.25 40.20 1ny1 s ASN 74 CO 0.04 -0.38 0.11 0.61 -1.51 0.00 0.00 177.10 175.96 1ny1 n GLY 75 N 4.69 -0.90 3.58 0.66 0.00 -1.26 -2.52 105.19 109.44 1ny1 n GLY 75 Ca -0.02 -0.33 -0.09 0.00 0.00 0.00 0.00 46.02 45.58 1ny1 n GLY 75 CO 0.00 0.00 0.00 -2.52 0.00 0.00 0.00 173.32 170.80 1ny1 s TYR 76 N -2.55 -0.12 -0.13 1.61 1.13 -1.26 -3.62 117.35 112.41 1ny1 s TYR 76 Ca -0.09 -0.24 -0.04 0.00 -1.41 0.00 0.00 57.07 55.30 1ny1 s TYR 76 Cb 0.06 0.44 -0.03 0.00 -1.10 0.00 0.00 41.96 41.33 1ny1 s TYR 76 CO 0.76 -0.98 -0.00 -2.00 -2.51 0.00 0.00 175.55 170.82 1ny1 s GLU 77 N -3.89 3.46 -0.08 -3.49 2.56 -1.26 -4.89 118.70 111.11 1ny1 s GLU 77 Ca 0.10 -0.44 0.12 0.00 0.00 0.00 0.00 54.97 54.76 1ny1 s GLU 77 Cb -0.02 -2.93 0.19 0.00 2.00 0.00 0.00 34.13 33.37 1ny1 s GLU 77 CO -0.01 0.44 1.08 -1.71 -0.56 0.00 0.00 175.26 174.50 1ny1 n ASN 78 N 2.96 2.05 0.00 -1.70 5.15 -1.26 -5.00 115.26 117.46 1ny1 n ASN 78 Ca -0.18 -2.68 0.00 0.00 -0.60 0.00 0.00 54.58 51.12 1ny1 n ASN 78 Cb 0.53 -0.29 0.00 0.00 -0.53 0.00 0.00 39.78 39.49 1ny1 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1ny1 n GLY 79 N -1.07 0.45 0.00 8.20 0.00 -1.26 -4.97 105.19 106.54 1ny1 n GLY 79 Ca 0.10 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.18 1ny1 n GLY 79 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1ny1 n TYR 80 N -2.00 0.00 -0.08 1.61 4.01 -1.26 -4.63 117.16 114.82 1ny1 n TYR 80 Ca 0.00 0.00 0.01 0.00 -0.16 0.00 0.00 57.90 57.75 1ny1 n TYR 80 Cb 0.00 -0.01 0.32 0.00 -0.31 0.00 0.00 39.34 39.35 1ny1 n TYR 80 CO 0.00 0.00 0.00 1.15 -0.46 0.00 0.00 176.86 177.55 1ny1 h THR 81 N 0.00 1.16 -0.94 -0.72 2.02 -1.94 -1.68 112.91 110.81 1ny1 h THR 81 Ca 0.00 -0.41 0.02 0.00 0.77 0.00 0.00 66.41 66.79 1ny1 h THR 81 Cb 0.27 0.48 -0.05 0.00 -1.74 0.00 0.00 68.15 67.11 1ny1 h THR 81 CO 0.00 0.18 0.62 -0.65 0.37 0.00 0.00 175.52 176.03 1ny1 h PRO 82 N 0.71 1.19 -0.30 6.66 0.11 -1.96 -0.52 132.00 137.88 1ny1 h PRO 82 Ca 0.18 -0.07 -0.11 0.00 0.11 0.00 0.00 66.00 66.11 1ny1 h PRO 82 Cb 0.03 -0.27 -0.01 0.00 0.11 0.00 0.00 31.00 30.86 1ny1 h PRO 82 CO -0.03 0.79 -0.28 0.87 -0.21 0.00 0.00 178.00 179.13 1ny1 h LYS 83 N 1.22 0.62 -0.64 1.05 1.57 -1.65 -1.72 116.57 117.01 1ny1 h LYS 83 Ca 0.36 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 1ny1 h LYS 83 Cb -0.07 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 32.19 1ny1 h LYS 83 CO -0.10 0.83 0.18 0.28 -0.57 0.00 0.00 179.45 180.08 1ny1 h VAL 84 N 0.53 1.25 -0.59 0.50 2.07 -0.73 -0.56 116.25 118.73 1ny1 h VAL 84 Ca 0.07 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.64 1ny1 h VAL 84 Cb 0.76 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 31.11 1ny1 h VAL 84 CO 0.06 0.34 0.11 -0.07 0.02 0.00 0.00 177.57 178.03 1ny1 h LEU 85 N 0.93 0.89 -0.72 2.57 3.38 -0.83 -1.12 115.31 120.42 1ny1 h LEU 85 Ca 0.20 -0.19 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 1ny1 h LEU 85 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 1ny1 h LEU 85 CO -0.00 0.89 0.23 0.44 0.09 0.00 0.00 178.44 180.09 1ny1 h ASP 86 N 0.90 1.04 -0.22 -0.43 3.32 -0.86 -1.43 116.42 118.73 1ny1 h ASP 86 Ca 0.19 -0.20 -0.02 0.00 0.02 0.00 0.00 57.03 57.01 1ny1 h ASP 86 Cb 0.37 -0.27 -0.01 0.00 0.22 0.00 0.00 39.33 39.64 1ny1 h ASP 86 CO 0.01 0.97 0.05 0.58 -1.72 0.00 0.00 179.24 179.12 1ny1 h VAL 87 N 1.06 1.21 -0.82 -1.35 2.07 -0.72 -0.66 116.25 117.04 1ny1 h VAL 87 Ca 0.23 -0.70 -0.01 0.00 0.82 0.00 0.00 66.70 67.04 1ny1 h VAL 87 Cb 0.29 1.25 -0.04 0.00 -1.52 0.00 0.00 31.29 31.27 1ny1 h VAL 87 CO -0.01 0.22 0.47 -0.07 0.02 0.00 0.00 177.57 178.20 1ny1 h LEU 88 N 0.18 1.00 -0.33 2.57 3.38 -1.05 -2.05 115.31 119.01 1ny1 h LEU 88 Ca 0.07 -0.07 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1ny1 h LEU 88 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.77 1ny1 h LEU 88 CO 0.00 0.79 0.04 0.50 0.09 0.00 0.00 178.44 179.86 1ny1 h LYS 89 N 1.14 0.55 -1.00 1.13 3.64 -1.02 -0.28 116.57 120.72 1ny1 h LYS 89 Ca 0.29 -0.15 0.09 0.00 -1.27 0.00 0.00 60.65 59.61 1ny1 h LYS 89 Cb -0.01 -0.06 -0.08 0.00 -0.41 0.00 0.00 32.23 31.68 1ny1 h LYS 89 CO -0.05 0.65 0.64 -0.22 -2.27 0.00 0.00 179.45 178.20 1ny1 h LYS 90 N 0.37 1.06 -0.08 1.90 3.64 -0.71 -1.66 116.57 121.09 1ny1 h LYS 90 Ca 0.10 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.41 1ny1 h LYS 90 Cb 0.37 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 31.95 1ny1 h LYS 90 CO 0.01 0.70 0.00 0.72 -2.27 0.00 0.00 179.45 178.61 1ny1 n HIS 91 N -4.55 0.10 -3.72 1.91 8.25 -0.81 -4.94 115.22 111.45 1ny1 n HIS 91 Ca 0.17 -0.05 -0.26 0.00 -0.26 0.00 0.00 57.72 57.33 1ny1 n HIS 91 Cb 0.27 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.43 1ny1 n HIS 91 CO 0.00 0.00 0.00 0.54 0.64 0.00 0.00 176.34 177.52 1ny1 n ARG 92 N 0.27 -6.53 -4.78 -0.41 5.12 -0.45 -4.98 116.66 104.90 1ny1 n ARG 92 Ca 0.18 0.71 -0.33 0.00 -1.93 0.00 0.00 57.85 56.48 1ny1 n ARG 92 Cb 0.35 -5.65 -0.12 0.00 -1.16 0.00 0.00 32.46 25.88 1ny1 n ARG 92 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 1ny1 s VAL 93 N -3.36 3.32 -0.25 1.55 1.01 -0.24 -5.04 120.40 117.39 1ny1 s VAL 93 Ca 0.50 -0.62 -0.10 0.00 0.00 0.00 0.00 61.98 61.76 1ny1 s VAL 93 Cb -0.24 -2.33 -0.05 0.00 0.00 0.00 0.00 36.38 33.77 1ny1 s VAL 93 CO 0.78 0.59 0.14 -0.89 0.00 0.00 0.00 175.10 175.72 1ny1 s THR 94 N -0.67 5.10 0.33 3.92 2.01 -1.26 -4.56 115.64 120.51 1ny1 s THR 94 Ca 0.10 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.26 1ny1 s THR 94 Cb -0.11 -3.39 -0.03 0.00 0.01 0.00 0.00 72.50 68.99 1ny1 s THR 94 CO 0.01 0.32 0.31 -0.83 -0.69 0.00 0.00 174.62 173.75 1ny1 s GLY 95 N 1.31 1.73 -0.19 4.40 0.00 -1.26 -4.37 107.32 108.94 1ny1 s GLY 95 Ca 0.07 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.19 1ny1 s GLY 95 CO 0.06 -1.54 -0.17 -1.59 0.00 0.00 0.00 173.10 169.86 1ny1 s THR 96 N -2.28 1.96 -0.33 0.90 2.01 -0.93 -1.47 115.64 115.50 1ny1 s THR 96 Ca 0.41 -1.02 -0.09 0.00 0.31 0.00 0.00 61.69 61.30 1ny1 s THR 96 Cb -0.06 -1.86 0.01 0.00 0.01 0.00 0.00 72.50 70.60 1ny1 s THR 96 CO 0.27 0.39 0.15 -0.36 -0.69 0.00 0.00 174.62 174.38 1ny1 s PHE 97 N 1.30 3.20 -0.51 4.92 0.08 0.20 -0.04 117.98 127.13 1ny1 s PHE 97 Ca 0.02 -0.88 -0.23 0.00 0.12 0.00 0.00 56.93 55.96 1ny1 s PHE 97 Cb -0.14 -2.35 0.04 0.00 -0.57 0.00 0.00 43.02 39.99 1ny1 s PHE 97 CO -0.11 -0.57 0.84 -0.06 -0.10 0.00 0.00 175.22 175.21 1ny1 s PHE 98 N 1.55 2.90 0.08 0.36 0.08 0.11 0.04 117.98 123.10 1ny1 s PHE 98 Ca 0.03 -0.04 0.02 0.00 0.12 0.00 0.00 56.93 57.06 1ny1 s PHE 98 Cb -0.18 -3.85 -0.04 0.00 -0.57 0.00 0.00 43.02 38.38 1ny1 s PHE 98 CO 0.05 -1.17 0.12 0.14 -0.10 0.00 0.00 175.22 174.25 1ny1 s VAL 99 N 3.51 4.75 0.42 -0.44 -7.23 -0.75 -0.58 120.40 120.08 1ny1 s VAL 99 Ca 0.28 -0.69 0.08 0.00 -1.81 0.00 0.00 61.98 59.84 1ny1 s VAL 99 Cb -0.13 -3.31 0.01 0.00 0.56 0.00 0.00 36.38 33.51 1ny1 s VAL 99 CO 0.19 0.12 0.57 0.42 -0.31 0.00 0.00 175.10 176.09 1ny1 s THR 100 N -1.44 3.00 0.22 5.32 -4.23 -1.05 -1.08 115.64 116.39 1ny1 s THR 100 Ca 0.31 -1.00 -0.08 0.00 -1.18 0.00 0.00 61.69 59.74 1ny1 s THR 100 Cb -0.12 -3.00 0.19 0.00 1.34 0.00 0.00 72.50 70.90 1ny1 s THR 100 CO 0.24 -0.00 1.84 1.23 -0.54 0.00 0.00 174.62 177.39 1ny1 h GLY 101 N 0.65 1.29 1.01 3.99 0.00 -0.89 -2.33 103.07 106.78 1ny1 h GLY 101 Ca -0.40 -0.59 0.01 0.00 0.00 0.00 0.00 47.33 46.35 1ny1 h GLY 101 CO 0.45 0.56 0.41 0.84 0.00 0.00 0.00 176.54 178.81 1ny1 h HIS 102 N 1.20 0.79 -0.32 5.60 -0.00 -1.85 -1.30 115.15 119.27 1ny1 h HIS 102 Ca 0.30 0.02 -0.01 0.00 -0.00 0.00 0.00 60.37 60.68 1ny1 h HIS 102 Cb 0.03 -0.27 -0.02 0.00 -0.00 0.00 0.00 27.41 27.16 1ny1 h HIS 102 CO 0.01 0.50 0.17 0.35 -0.00 0.00 0.00 177.93 178.96 1ny1 h PHE 103 N 0.85 0.45 -0.59 5.26 3.57 -1.54 -0.34 116.94 124.58 1ny1 h PHE 103 Ca 0.23 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.69 1ny1 h PHE 103 Cb -0.09 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.48 1ny1 h PHE 103 CO -0.03 0.37 0.29 0.28 -2.23 0.00 0.00 178.31 176.99 1ny1 h VAL 104 N 0.39 1.21 -0.29 1.41 2.07 -1.19 0.13 116.25 119.99 1ny1 h VAL 104 Ca 0.11 -0.58 -0.13 0.00 0.82 0.00 0.00 66.70 66.92 1ny1 h VAL 104 Cb 0.07 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1ny1 h VAL 104 CO -0.02 0.24 -0.34 0.11 0.02 0.00 0.00 177.57 177.58 1ny1 h LYS 105 N 0.81 0.63 0.00 1.57 1.79 -1.09 -3.12 116.57 117.16 1ny1 h LYS 105 Ca 0.20 -0.29 -0.14 0.00 -2.18 0.00 0.00 60.65 58.24 1ny1 h LYS 105 Cb 0.11 -0.01 -0.02 0.00 -1.58 0.00 0.00 32.23 30.73 1ny1 h LYS 105 CO -0.03 0.88 -0.88 0.22 -1.08 0.00 0.00 179.45 178.57 1ny1 h ASP 106 N 0.53 0.00 -1.93 0.86 3.58 -0.86 -3.39 116.42 115.21 1ny1 h ASP 106 Ca 0.06 0.00 -0.53 0.00 0.42 0.00 0.00 57.03 56.97 1ny1 h ASP 106 Cb 0.84 0.00 -0.41 0.00 1.72 0.00 0.00 39.33 41.48 1ny1 h ASP 106 CO 0.07 0.59 -0.88 0.00 -2.88 0.00 0.00 179.24 176.14 1ny1 n GLN 107 N -3.12 2.39 -0.32 0.28 1.13 0.45 -4.92 117.38 113.26 1ny1 n GLN 107 Ca -0.02 -4.20 0.08 0.00 -1.94 0.00 0.00 57.00 50.92 1ny1 n GLN 107 Cb 0.80 -1.98 0.25 0.00 0.11 0.00 0.00 30.24 29.41 1ny1 n GLN 107 CO 0.00 0.00 0.00 -1.35 -1.44 0.00 0.00 177.06 174.27 1ny1 h PRO 108 N 2.92 0.69 -0.39 -1.09 0.11 -1.75 -1.60 132.00 130.89 1ny1 h PRO 108 Ca 0.12 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.13 1ny1 h PRO 108 Cb 0.78 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.72 1ny1 h PRO 108 CO 0.70 0.46 -0.01 1.96 -0.21 0.00 0.00 178.00 180.89 1ny1 h GLN 109 N 0.71 0.62 -0.26 1.05 4.20 -1.91 -1.53 115.11 117.99 1ny1 h GLN 109 Ca 0.49 -0.15 -0.09 0.00 0.06 0.00 0.00 58.65 58.96 1ny1 h GLN 109 Cb 0.68 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 28.37 1ny1 h GLN 109 CO -0.35 0.65 -0.21 -0.07 -0.67 0.00 0.00 178.83 178.19 1ny1 h LEU 110 N 0.59 0.64 -0.77 1.46 3.38 -1.72 -1.48 115.31 117.40 1ny1 h LEU 110 Ca 0.12 -0.45 0.08 0.00 0.09 0.00 0.00 57.88 57.72 1ny1 h LEU 110 Cb 0.39 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 1ny1 h LEU 110 CO 0.02 0.95 0.44 0.40 0.09 0.00 0.00 178.44 180.34 1ny1 h ILE 111 N 0.33 0.95 -0.70 1.22 1.08 -1.19 -1.25 117.51 117.94 1ny1 h ILE 111 Ca 0.05 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.21 1ny1 h ILE 111 Cb 0.75 0.10 -0.03 0.00 -3.07 0.00 0.00 36.82 34.57 1ny1 h ILE 111 CO 0.05 0.14 0.28 0.50 -0.69 0.00 0.00 178.15 178.43 1ny1 h LYS 112 N 0.78 1.05 -1.82 2.37 1.63 -1.07 -2.10 116.57 117.40 1ny1 h LYS 112 Ca 0.36 -0.19 0.00 0.00 -0.85 0.00 0.00 60.65 59.97 1ny1 h LYS 112 Cb 0.27 -0.17 0.00 0.00 -0.60 0.00 0.00 32.23 31.73 1ny1 h LYS 112 CO -0.21 0.87 0.00 0.54 -3.45 0.00 0.00 179.45 177.19 1ny1 n ARG 113 N -4.37 0.20 0.00 1.90 1.74 -0.47 -0.49 116.66 115.17 1ny1 n ARG 113 Ca 0.05 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.13 1ny1 n ARG 113 Cb 0.18 -1.40 0.00 0.00 -1.02 0.00 0.00 32.46 30.22 1ny1 n ARG 113 CO 0.00 0.00 0.00 0.45 -1.52 0.00 0.00 177.63 176.56 1ny1 n SER 115 N 1.00 0.00 0.01 0.55 2.88 -0.79 -0.57 113.62 116.70 1ny1 n SER 115 Ca 0.00 0.00 0.07 0.00 -1.33 0.00 0.00 58.87 57.61 1ny1 n SER 115 Cb 0.10 0.00 0.47 0.00 -0.75 0.00 0.00 64.21 64.04 1ny1 n SER 115 CO 0.00 0.00 0.00 0.44 -1.23 0.00 0.00 175.04 174.25 1ny1 h ASP 116 N 0.00 0.38 -0.41 -3.46 3.32 -1.06 -2.59 116.42 112.60 1ny1 h ASP 116 Ca 0.00 -0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.98 1ny1 h ASP 116 Cb 0.00 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.42 1ny1 h ASP 116 CO 0.00 0.26 0.08 -0.62 -1.72 0.00 0.00 179.24 177.25 1ny1 n GLU 117 N -4.48 3.12 -1.02 3.56 1.02 0.27 -4.92 120.64 118.20 1ny1 n GLU 117 Ca 0.04 -1.96 -0.01 0.00 -0.02 0.00 0.00 57.16 55.22 1ny1 n GLU 117 Cb 0.16 -1.94 -0.00 0.00 -0.02 0.00 0.00 31.44 29.64 1ny1 n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1ny1 n GLY 118 N 0.21 0.46 3.95 0.62 0.00 -0.98 -5.02 105.19 104.42 1ny1 n GLY 118 Ca 0.21 -0.16 -0.25 0.00 0.00 0.00 0.00 46.02 45.82 1ny1 n GLY 118 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ny1 s HIS 119 N -1.89 2.57 -0.11 1.61 3.76 -1.26 -4.84 115.29 115.12 1ny1 s HIS 119 Ca 0.00 0.25 -0.02 0.00 -0.15 0.00 0.00 55.06 55.14 1ny1 s HIS 119 Cb 0.00 -3.19 -0.03 0.00 1.11 0.00 0.00 32.58 30.47 1ny1 s HIS 119 CO 0.00 -1.50 -0.04 0.42 -0.85 0.00 0.00 174.74 172.78 1ny1 s ILE 120 N -3.22 3.96 -0.32 0.60 1.01 -0.54 -4.61 121.20 118.08 1ny1 s ILE 120 Ca 0.62 -0.36 -0.09 0.00 0.00 0.00 0.00 60.65 60.82 1ny1 s ILE 120 Cb -0.09 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.70 1ny1 s ILE 120 CO 0.44 0.55 0.14 -0.63 0.00 0.00 0.00 174.94 175.45 1ny1 s ILE 121 N -0.26 4.44 0.42 2.92 1.01 -1.26 -0.63 121.20 127.84 1ny1 s ILE 121 Ca 0.05 -0.56 0.04 0.00 0.00 0.00 0.00 60.65 60.17 1ny1 s ILE 121 Cb -0.13 -3.31 0.00 0.00 0.01 0.00 0.00 42.46 39.04 1ny1 s ILE 121 CO 0.02 0.02 0.59 -0.83 0.00 0.00 0.00 174.94 174.74 1ny1 s GLY 122 N 1.57 1.68 -0.23 6.18 0.00 0.11 -4.76 107.32 111.87 1ny1 s GLY 122 Ca 0.04 -1.35 -0.13 0.00 0.00 0.00 0.00 44.72 43.28 1ny1 s GLY 122 CO 0.05 -1.19 0.25 0.21 0.00 0.00 0.00 173.10 172.42 1ny1 s ASN 123 N -4.26 6.24 -0.09 1.64 3.84 0.53 -1.81 114.94 121.03 1ny1 s ASN 123 Ca 0.50 0.26 0.13 0.00 0.21 0.00 0.00 52.86 53.95 1ny1 s ASN 123 Cb -0.10 -2.15 0.31 0.00 -0.55 0.00 0.00 41.25 38.75 1ny1 s ASN 123 CO 0.35 0.00 1.22 1.57 -2.79 0.00 0.00 177.10 177.45 1ny1 n HIS 124 N 4.40 0.37 -0.10 0.43 -0.00 -0.24 -1.42 115.22 118.65 1ny1 n HIS 124 Ca -0.12 -0.76 0.00 0.00 -0.00 0.00 0.00 57.72 56.84 1ny1 n HIS 124 Cb 0.52 -0.16 -0.00 0.00 -0.00 0.00 0.00 29.99 30.35 1ny1 n HIS 124 CO 0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 176.34 175.21 1ny1 n SER 125 N -0.59 -0.55 0.02 0.26 3.41 -1.26 -4.32 113.62 110.60 1ny1 n SER 125 Ca 0.13 0.12 -0.13 0.00 -0.26 0.00 0.00 58.87 58.74 1ny1 n SER 125 Cb 0.59 0.37 -0.09 0.00 -0.26 0.00 0.00 64.21 64.82 1ny1 n SER 125 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1ny1 h PHE 126 N -0.01 -0.06 -0.33 7.33 3.04 -1.38 -2.87 116.94 122.66 1ny1 h PHE 126 Ca -0.00 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 61.95 1ny1 h PHE 126 Cb 0.07 0.02 0.00 0.00 2.56 0.00 0.00 35.95 38.60 1ny1 h PHE 126 CO 0.00 0.34 0.00 0.72 -2.02 0.00 0.00 178.31 177.35 1ny1 n HIS 127 N -4.93 0.42 -3.82 0.41 8.25 -1.26 -1.14 115.22 113.15 1ny1 n HIS 127 Ca -0.08 -0.23 -0.27 0.00 -0.26 0.00 0.00 57.72 56.87 1ny1 n HIS 127 Cb 0.22 -0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.36 1ny1 n HIS 127 CO 0.00 0.00 0.00 1.58 0.64 0.00 0.00 176.34 178.56 1ny1 n HIS 128 N 1.35 -2.27 -2.27 4.41 -0.00 -1.25 -4.98 115.22 110.22 1ny1 n HIS 128 Ca 0.17 0.90 -0.27 0.00 0.46 0.00 0.00 57.72 58.99 1ny1 n HIS 128 Cb 0.57 -4.23 0.14 0.00 -0.12 0.00 0.00 29.99 26.36 1ny1 n HIS 128 CO 0.00 0.00 0.00 -1.25 0.46 0.00 0.00 176.34 175.55 1ny1 s PRO 129 N -6.40 1.20 -0.70 1.57 0.04 -1.26 -4.89 135.00 124.55 1ny1 s PRO 129 Ca 0.48 -0.76 -0.26 0.00 0.04 0.00 0.00 61.00 60.50 1ny1 s PRO 129 Cb -0.23 -2.10 0.04 0.00 0.04 0.00 0.00 34.50 32.25 1ny1 s PRO 129 CO 0.81 -1.90 1.18 0.34 0.04 0.00 0.00 177.00 177.47 1ny1 s ASP 130 N -4.81 6.19 0.60 6.66 -1.08 -1.26 -4.44 116.67 118.53 1ny1 s ASP 130 Ca 0.70 -0.55 0.29 0.00 -0.52 0.00 0.00 52.55 52.47 1ny1 s ASP 130 Cb -0.05 -2.52 1.50 0.00 -1.46 0.00 0.00 42.92 40.40 1ny1 s ASP 130 CO 0.48 -1.70 1.91 -0.07 0.52 0.00 0.00 175.17 176.31 1ny1 h LEU 131 N 12.47 0.00 -0.43 -1.34 3.38 -1.89 -0.30 115.31 127.20 1ny1 h LEU 131 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 1ny1 h LEU 131 Cb 1.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.81 1ny1 h LEU 131 CO 1.24 0.00 0.00 0.35 0.09 0.00 0.00 178.44 180.12 1ny1 n THR 132 N -3.58 0.84 0.03 0.22 -2.24 -1.26 -2.09 114.28 106.21 1ny1 n THR 132 Ca 0.06 0.20 0.11 0.00 -2.27 0.00 0.00 64.05 62.15 1ny1 n THR 132 Cb 0.60 -1.06 0.24 0.00 -2.10 0.00 0.00 70.33 68.01 1ny1 n THR 132 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1ny1 n THR 133 N -1.99 0.70 -4.35 4.28 -2.24 -0.12 -4.96 114.28 105.61 1ny1 n THR 133 Ca 0.03 -0.85 -0.31 0.00 -2.27 0.00 0.00 64.05 60.65 1ny1 n THR 133 Cb 0.23 0.78 -0.10 0.00 -2.10 0.00 0.00 70.33 69.14 1ny1 n THR 133 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1ny1 s LYS 134 N -1.24 2.32 0.84 -0.78 -0.14 -0.89 -5.07 119.74 114.77 1ny1 s LYS 134 Ca 0.40 -0.89 -0.12 0.00 -1.36 0.00 0.00 55.97 53.99 1ny1 s LYS 134 Cb 0.22 -2.39 0.10 0.00 -1.68 0.00 0.00 37.83 34.08 1ny1 s LYS 134 CO 0.30 0.55 1.17 0.95 -0.76 0.00 0.00 175.35 177.56 1ny1 s THR 135 N -1.12 2.00 0.22 2.17 -4.23 -1.26 -4.78 115.64 108.63 1ny1 s THR 135 Ca 0.20 0.00 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1ny1 s THR 135 Cb -0.11 -2.94 0.16 0.00 1.34 0.00 0.00 72.50 70.95 1ny1 s THR 135 CO 0.11 0.00 1.84 0.00 -0.54 0.00 0.00 174.62 176.03 1ny1 h ALA 136 N -1.18 0.98 -0.48 3.99 0.00 -1.99 0.12 119.26 120.72 1ny1 h ALA 136 Ca -0.47 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1ny1 h ALA 136 Cb 1.33 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 1ny1 h ALA 136 CO 0.64 0.19 0.26 -0.44 0.00 0.00 0.00 179.25 179.91 1ny1 h ASP 137 N 0.85 0.59 -0.45 0.00 5.19 -2.00 -1.20 116.42 119.41 1ny1 h ASP 137 Ca 0.31 -0.09 -0.05 0.00 -0.62 0.00 0.00 57.03 56.58 1ny1 h ASP 137 Cb 0.10 -0.15 -0.02 0.00 0.18 0.00 0.00 39.33 39.44 1ny1 h ASP 137 CO -0.14 0.51 0.08 1.56 -3.12 0.00 0.00 179.24 178.12 1ny1 h GLN 138 N 0.63 0.73 -0.85 3.56 4.20 -1.77 -2.31 115.11 119.30 1ny1 h GLN 138 Ca 0.17 -0.19 0.02 0.00 0.06 0.00 0.00 58.65 58.71 1ny1 h GLN 138 Cb 0.04 -0.09 -0.05 0.00 0.30 0.00 0.00 27.48 27.69 1ny1 h GLN 138 CO -0.03 0.75 0.56 0.82 -0.67 0.00 0.00 178.83 180.26 1ny1 h ILE 139 N 0.60 1.17 -0.64 2.54 2.04 -0.77 0.19 117.51 122.64 1ny1 h ILE 139 Ca 0.14 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.63 1ny1 h ILE 139 Cb 0.37 -0.03 -0.03 0.00 -0.74 0.00 0.00 36.82 36.38 1ny1 h ILE 139 CO 0.01 0.20 0.42 -0.61 0.00 0.00 0.00 178.15 178.17 1ny1 h GLN 140 N 1.11 0.82 -0.37 2.37 4.15 -0.96 -1.77 115.11 120.46 1ny1 h GLN 140 Ca 0.33 -0.05 -0.12 0.00 0.77 0.00 0.00 58.65 59.58 1ny1 h GLN 140 Cb -0.06 -0.18 -0.01 0.00 0.21 0.00 0.00 27.48 27.44 1ny1 h GLN 140 CO -0.09 0.54 -0.25 0.22 -1.93 0.00 0.00 178.83 177.31 1ny1 h ASP 141 N 0.84 0.86 -0.27 -0.69 3.58 -0.83 0.13 116.42 120.06 1ny1 h ASP 141 Ca 0.24 -0.43 0.01 0.00 0.42 0.00 0.00 57.03 57.26 1ny1 h ASP 141 Cb -0.07 -0.24 -0.01 0.00 1.72 0.00 0.00 39.33 40.73 1ny1 h ASP 141 CO -0.06 1.11 0.18 -0.33 -2.88 0.00 0.00 179.24 177.25 1ny1 h GLU 142 N 0.62 0.33 0.04 0.28 4.39 -0.33 -1.23 114.58 118.68 1ny1 h GLU 142 Ca 0.07 -0.02 -0.31 0.00 0.34 0.00 0.00 59.36 59.45 1ny1 h GLU 142 Cb 0.82 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 29.36 1ny1 h GLU 142 CO 0.07 0.22 -1.70 1.28 -1.16 0.00 0.00 179.01 177.72 1ny1 n LEU 143 N -4.50 2.19 0.02 1.33 4.77 -0.69 -0.96 117.00 119.16 1ny1 n LEU 143 Ca 0.01 0.32 0.03 0.00 -0.03 0.00 0.00 56.01 56.33 1ny1 n LEU 143 Cb 0.09 -1.00 0.39 0.00 -2.33 0.00 0.00 43.42 40.56 1ny1 n LEU 143 CO 0.35 0.53 1.06 -0.78 -1.33 0.00 0.00 177.39 177.23 1ny1 h ASP 144 N -0.59 0.44 -0.16 -1.43 3.58 -0.70 -2.30 116.42 115.26 1ny1 h ASP 144 Ca -0.42 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 56.98 1ny1 h ASP 144 Cb 1.61 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 42.54 1ny1 h ASP 144 CO -0.13 0.40 0.08 0.77 -2.88 0.00 0.00 179.24 177.49 1ny1 h SER 145 N 0.49 0.24 -0.03 2.28 4.64 -1.41 -0.57 113.55 119.18 1ny1 h SER 145 Ca 0.12 -0.02 -0.02 0.00 -0.47 0.00 0.00 61.79 61.41 1ny1 h SER 145 Cb 0.10 -0.06 -0.00 0.00 -0.31 0.00 0.00 62.40 62.13 1ny1 h SER 145 CO -0.01 0.22 -0.04 0.58 -0.87 0.00 0.00 176.83 176.71 1ny1 h VAL 146 N 0.27 1.40 -0.62 0.95 2.07 -1.59 -2.54 116.25 116.20 1ny1 h VAL 146 Ca 0.07 -1.25 -0.03 0.00 0.82 0.00 0.00 66.70 66.32 1ny1 h VAL 146 Cb 0.06 2.17 -0.03 0.00 -1.52 0.00 0.00 31.29 31.96 1ny1 h VAL 146 CO -0.01 0.33 0.28 0.78 0.02 0.00 0.00 177.57 178.97 1ny1 h ASN 147 N -0.40 0.80 -0.08 0.57 2.35 -1.43 -0.83 115.58 116.55 1ny1 h ASN 147 Ca 0.00 -0.09 0.03 0.00 -0.55 0.00 0.00 56.30 55.69 1ny1 h ASN 147 Cb 0.56 -0.20 -0.03 0.00 0.05 0.00 0.00 38.32 38.70 1ny1 h ASN 147 CO 0.01 0.69 -0.10 -0.08 -1.65 0.00 0.00 177.43 176.30 1ny1 h GLU 148 N 0.88 -0.13 -0.49 0.81 4.57 -1.09 0.21 114.58 119.34 1ny1 h GLU 148 Ca 0.21 0.01 -0.07 0.00 -1.18 0.00 0.00 59.36 58.33 1ny1 h GLU 148 Cb 0.12 0.03 -0.02 0.00 -0.16 0.00 0.00 28.75 28.72 1ny1 h GLU 148 CO -0.02 -0.08 0.03 1.49 -1.18 0.00 0.00 179.01 179.24 1ny1 h GLU 149 N -0.13 0.84 -0.76 1.92 4.57 -1.06 -1.96 114.58 118.00 1ny1 h GLU 149 Ca 0.07 -0.25 0.00 0.00 -1.18 0.00 0.00 59.36 58.00 1ny1 h GLU 149 Cb 0.23 -0.09 -0.04 0.00 -0.16 0.00 0.00 28.75 28.69 1ny1 h GLU 149 CO -0.16 0.87 0.49 0.28 -1.18 0.00 0.00 179.01 179.30 1ny1 h VAL 150 N 0.71 1.20 -0.70 0.32 2.07 -0.81 -2.38 116.25 116.66 1ny1 h VAL 150 Ca 0.14 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 67.23 1ny1 h VAL 150 Cb 0.46 0.10 -0.03 0.00 -1.52 0.00 0.00 31.29 30.30 1ny1 h VAL 150 CO 0.02 0.20 0.24 0.22 0.02 0.00 0.00 177.57 178.26 1ny1 h TYR 151 N 1.03 1.09 -0.70 1.57 3.20 -0.37 0.14 116.97 122.92 1ny1 h TYR 151 Ca 0.28 -0.09 0.04 0.00 3.14 0.00 0.00 58.73 62.09 1ny1 h TYR 151 Cb -0.10 -0.32 -0.04 0.00 1.54 0.00 0.00 36.73 37.81 1ny1 h TYR 151 CO -0.02 0.85 0.46 -0.22 -1.64 0.00 0.00 178.16 177.60 1ny1 h LYS 152 N 1.03 0.80 0.16 1.82 3.11 -0.86 0.58 116.57 123.20 1ny1 h LYS 152 Ca 0.23 -0.05 -0.22 0.00 -2.81 0.00 0.00 60.65 57.80 1ny1 h LYS 152 Cb 0.26 -0.18 0.02 0.00 -1.00 0.00 0.00 32.23 31.33 1ny1 h LYS 152 CO -0.01 0.53 -0.98 0.82 -2.81 0.00 0.00 179.45 176.99 1ny1 h ILE 153 N 0.82 1.44 0.00 2.00 2.04 -0.98 -3.41 117.51 119.43 1ny1 h ILE 153 Ca 0.29 -2.56 0.00 0.00 1.00 0.00 0.00 64.86 63.58 1ny1 h ILE 153 Cb 0.10 3.15 0.00 0.00 -0.74 0.00 0.00 36.82 39.33 1ny1 h ILE 153 CO -0.08 0.74 -1.62 0.35 0.00 0.00 0.00 178.15 177.53 1ny1 n THR 154 N -4.03 0.00 -1.21 -0.27 -2.24 0.43 -4.91 114.28 102.05 1ny1 n THR 154 Ca -0.15 -0.34 -0.07 0.00 -2.27 0.00 0.00 64.05 61.21 1ny1 n THR 154 Cb 0.89 0.24 -0.03 0.00 -2.10 0.00 0.00 70.33 69.32 1ny1 n THR 154 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1ny1 n GLY 155 N 1.55 0.87 3.27 3.38 0.00 0.20 -4.97 105.19 109.49 1ny1 n GLY 155 Ca -0.02 -0.30 -0.15 0.00 0.00 0.00 0.00 46.02 45.55 1ny1 n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ny1 s LYS 156 N -2.27 1.30 -0.20 1.61 1.02 -1.26 -5.06 119.74 114.89 1ny1 s LYS 156 Ca 0.00 -1.69 -0.06 0.00 0.02 0.00 0.00 55.97 54.24 1ny1 s LYS 156 Cb 0.00 -0.13 0.10 0.00 -0.52 0.00 0.00 37.83 37.28 1ny1 s LYS 156 CO 0.00 -0.29 0.41 -1.14 -0.92 0.00 0.00 175.35 173.41 1ny1 s GLN 157 N -4.04 0.32 0.88 1.68 0.74 -1.26 -4.17 119.66 113.81 1ny1 s GLN 157 Ca 0.36 0.97 -0.12 0.00 0.05 0.00 0.00 55.36 56.61 1ny1 s GLN 157 Cb 0.07 0.23 0.12 0.00 1.10 0.00 0.00 33.01 34.53 1ny1 s GLN 157 CO 0.11 -0.30 1.15 -0.51 -0.55 0.00 0.00 175.29 175.19 1ny1 s ASP 158 N 2.61 3.83 0.82 6.67 -0.00 -1.26 -5.00 116.67 124.32 1ny1 s ASP 158 Ca 0.00 0.94 -0.13 0.00 -0.00 0.00 0.00 52.55 53.36 1ny1 s ASP 158 Cb -0.12 -1.50 0.08 0.00 -0.00 0.00 0.00 42.92 41.37 1ny1 s ASP 158 CO -0.13 -2.35 1.15 0.59 -0.00 0.00 0.00 175.17 174.43 1ny1 n ASN 159 N -3.63 0.81 -4.61 0.27 3.02 -1.26 -4.87 115.26 104.99 1ny1 n ASN 159 Ca 0.07 0.57 -0.43 0.00 -0.03 0.00 0.00 54.58 54.76 1ny1 n ASN 159 Cb 0.60 -1.49 -0.02 0.00 -0.61 0.00 0.00 39.78 38.26 1ny1 n ASN 159 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1ny1 s LEU 160 N -5.36 3.71 -0.03 3.41 1.02 -1.26 -4.94 118.68 115.23 1ny1 s LEU 160 Ca 0.72 0.67 0.04 0.00 0.02 0.00 0.00 54.13 55.59 1ny1 s LEU 160 Cb -0.29 -3.55 -0.01 0.00 0.02 0.00 0.00 46.19 42.37 1ny1 s LEU 160 CO 0.52 -1.17 -0.16 -0.31 0.02 0.00 0.00 176.35 175.25 1ny1 s TYR 161 N 4.34 1.55 -0.00 0.29 2.02 -1.26 -1.63 117.35 122.65 1ny1 s TYR 161 Ca 0.49 -0.39 0.06 0.00 -0.37 0.00 0.00 57.07 56.86 1ny1 s TYR 161 Cb -0.09 -1.03 -0.02 0.00 -0.40 0.00 0.00 41.96 40.42 1ny1 s TYR 161 CO 0.27 -0.11 -0.18 -1.17 -1.57 0.00 0.00 175.55 172.80 1ny1 s LEU 162 N -0.10 2.06 -0.23 -1.29 2.96 -0.13 -0.35 118.68 121.61 1ny1 s LEU 162 Ca -0.00 -0.35 0.02 0.00 -0.22 0.00 0.00 54.13 53.58 1ny1 s LEU 162 Cb -0.09 -0.89 0.05 0.00 0.50 0.00 0.00 46.19 45.75 1ny1 s LEU 162 CO 0.01 0.20 -0.11 -0.13 -1.32 0.00 0.00 176.35 174.99 1ny1 s ARG 163 N -0.55 2.22 0.26 1.98 1.81 -0.51 -0.46 118.95 123.69 1ny1 s ARG 163 Ca 0.07 -1.08 -0.30 0.00 -1.72 0.00 0.00 55.73 52.70 1ny1 s ARG 163 Cb -0.07 -2.67 -0.10 0.00 -0.45 0.00 0.00 34.95 31.66 1ny1 s ARG 163 CO -0.00 -0.48 1.44 -2.14 -0.68 0.00 0.00 175.30 173.44 1ny1 s PRO 164 N 1.25 4.27 0.19 3.54 0.02 -1.26 -4.49 135.00 138.51 1ny1 s PRO 164 Ca -0.04 2.31 -0.33 0.00 0.02 0.00 0.00 61.00 62.95 1ny1 s PRO 164 Cb -0.18 -3.10 -0.14 0.00 0.02 0.00 0.00 34.50 31.10 1ny1 s PRO 164 CO -0.07 -0.41 1.53 -2.30 -0.33 0.00 0.00 177.00 175.41 1ny1 n PRO 165 N 2.22 2.13 -0.97 5.54 -0.02 -1.26 -0.55 135.00 142.08 1ny1 n PRO 165 Ca 0.06 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.31 1ny1 n PRO 165 Cb 0.40 -2.50 0.00 0.00 -0.02 0.00 0.00 33.50 31.38 1ny1 n PRO 165 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1ny1 n ARG 166 N 2.96 -1.65 -1.16 -0.52 5.12 -1.26 -1.64 116.66 118.51 1ny1 n ARG 166 Ca 0.15 0.41 -0.06 0.00 -1.93 0.00 0.00 57.85 56.43 1ny1 n ARG 166 Cb 0.30 -4.73 -0.02 0.00 -1.16 0.00 0.00 32.46 26.84 1ny1 n ARG 166 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1ny1 n GLY 167 N 0.36 0.77 3.70 -0.13 0.00 0.28 -4.71 105.19 105.47 1ny1 n GLY 167 Ca 0.00 -0.35 -0.39 0.00 0.00 0.00 0.00 46.02 45.28 1ny1 n GLY 167 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1ny1 s VAL 168 N -2.02 5.10 0.06 1.61 1.01 -0.65 -1.01 120.40 124.50 1ny1 s VAL 168 Ca 0.00 1.18 -0.01 0.00 0.00 0.00 0.00 61.98 63.15 1ny1 s VAL 168 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 36.38 32.46 1ny1 s VAL 168 CO 0.00 0.25 0.10 2.22 0.00 0.00 0.00 175.10 177.66 1ny1 n PHE 169 N 4.06 -0.82 -3.83 5.22 1.16 0.18 -4.53 117.46 118.89 1ny1 n PHE 169 Ca -0.04 -0.35 -0.06 0.00 -1.87 0.00 0.00 57.45 55.14 1ny1 n PHE 169 Cb 0.51 0.11 0.01 0.00 -1.61 0.00 0.00 39.48 38.50 1ny1 n PHE 169 CO 0.00 0.00 0.00 -1.54 -1.87 0.00 0.00 176.76 173.35 1ny1 s SER 170 N -1.34 -0.06 0.24 5.98 1.04 -1.26 0.25 113.70 118.54 1ny1 s SER 170 Ca 0.04 -0.82 -0.04 0.00 0.48 0.00 0.00 55.95 55.60 1ny1 s SER 170 Cb -0.00 0.68 0.25 0.00 0.10 0.00 0.00 66.02 67.05 1ny1 s SER 170 CO 0.03 -1.32 1.73 -0.08 0.98 0.00 0.00 173.24 174.58 1ny1 h GLU 171 N 2.00 0.89 -0.24 4.02 4.81 -1.81 -1.62 114.58 122.63 1ny1 h GLU 171 Ca -0.28 -0.25 0.01 0.00 -0.13 0.00 0.00 59.36 58.72 1ny1 h GLU 171 Cb 1.24 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.50 1ny1 h GLU 171 CO 0.35 0.88 0.13 -0.92 -0.73 0.00 0.00 179.01 178.71 1ny1 h TYR 172 N 0.83 0.23 -0.66 0.92 3.20 -1.60 0.28 116.97 120.17 1ny1 h TYR 172 Ca 0.16 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 1ny1 h TYR 172 Cb 0.47 -0.07 -0.03 0.00 1.54 0.00 0.00 36.73 38.64 1ny1 h TYR 172 CO 0.03 0.13 0.37 0.28 -1.64 0.00 0.00 178.16 177.33 1ny1 h VAL 173 N 0.27 1.21 -0.45 1.81 2.07 -1.79 -0.54 116.25 118.82 1ny1 h VAL 173 Ca 0.10 -0.51 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 1ny1 h VAL 173 Cb 0.02 0.34 -0.02 0.00 -1.52 0.00 0.00 31.29 30.11 1ny1 h VAL 173 CO -0.06 0.22 0.08 -0.07 0.02 0.00 0.00 177.57 177.76 1ny1 h LEU 174 N 0.90 0.70 -0.15 2.57 3.38 -0.99 -0.33 115.31 121.39 1ny1 h LEU 174 Ca 0.23 -0.25 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1ny1 h LEU 174 Cb 0.03 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 1ny1 h LEU 174 CO -0.04 0.78 0.07 0.50 0.09 0.00 0.00 178.44 179.84 1ny1 h LYS 175 N 0.60 0.22 -0.20 1.13 3.64 -0.68 -1.44 116.57 119.85 1ny1 h LYS 175 Ca 0.14 -0.03 -0.04 0.00 -1.27 0.00 0.00 60.65 59.45 1ny1 h LYS 175 Cb 0.37 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 32.14 1ny1 h LYS 175 CO 0.01 0.27 -0.03 0.93 -2.27 0.00 0.00 179.45 178.36 1ny1 h GLU 176 N 0.12 0.36 -0.39 1.90 4.39 -1.04 -1.53 114.58 118.40 1ny1 h GLU 176 Ca 0.05 -0.13 -0.04 0.00 0.34 0.00 0.00 59.36 59.58 1ny1 h GLU 176 Cb 0.13 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 28.73 1ny1 h GLU 176 CO -0.01 0.60 0.06 1.79 -1.16 0.00 0.00 179.01 180.29 1ny1 h THR 177 N 0.10 1.19 -0.62 1.13 1.35 -1.07 -1.52 112.91 113.47 1ny1 h THR 177 Ca 0.05 -0.71 -0.09 0.00 -0.55 0.00 0.00 66.41 65.11 1ny1 h THR 177 Cb 0.45 0.83 -0.02 0.00 -1.73 0.00 0.00 68.15 67.68 1ny1 h THR 177 CO 0.02 0.25 0.04 0.50 -0.25 0.00 0.00 175.52 176.08 1ny1 h LYS 178 N 0.56 1.06 -0.11 4.72 3.64 -1.15 -0.75 116.57 124.55 1ny1 h LYS 178 Ca 0.13 -0.31 -0.03 0.00 -1.27 0.00 0.00 60.65 59.17 1ny1 h LYS 178 Cb 0.27 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.97 1ny1 h LYS 178 CO 0.00 1.01 -0.05 -0.09 -2.27 0.00 0.00 179.45 178.06 1ny1 h ARG 179 N 0.98 0.15 -0.03 1.90 2.43 -0.32 0.55 114.38 120.04 1ny1 h ARG 179 Ca 0.18 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 1ny1 h ARG 179 Cb 0.51 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 30.03 1ny1 h ARG 179 CO 0.02 0.22 0.00 1.28 -1.51 0.00 0.00 179.97 179.98 1ny1 n LEU 180 N -4.39 0.42 0.00 3.80 4.32 -0.70 -4.89 117.00 115.57 1ny1 n LEU 180 Ca -0.01 -0.17 0.00 0.00 -0.02 0.00 0.00 56.01 55.81 1ny1 n LEU 180 Cb 0.18 -0.02 0.00 0.00 -1.62 0.00 0.00 43.42 41.96 1ny1 n LEU 180 CO 0.36 0.08 0.00 0.61 -1.22 0.00 0.00 177.39 177.22 1ny1 n GLY 181 N 0.93 0.52 3.89 -0.72 0.00 0.19 -5.06 105.19 104.92 1ny1 n GLY 181 Ca 0.17 -0.86 -0.34 0.00 0.00 0.00 0.00 46.02 44.99 1ny1 n GLY 181 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ny1 s TYR 182 N -2.00 3.56 -0.25 1.61 2.02 -0.35 -4.61 117.35 117.34 1ny1 s TYR 182 Ca 0.00 0.56 -0.07 0.00 -0.37 0.00 0.00 57.07 57.19 1ny1 s TYR 182 Cb 0.00 -1.98 -0.03 0.00 -0.40 0.00 0.00 41.96 39.55 1ny1 s TYR 182 CO 0.00 0.59 0.06 -1.14 -1.57 0.00 0.00 175.55 173.49 1ny1 s GLN 183 N -1.93 3.63 -0.14 -0.62 2.00 -0.65 -4.10 119.66 117.85 1ny1 s GLN 183 Ca 0.30 -0.49 -0.24 0.00 -2.00 0.00 0.00 55.36 52.92 1ny1 s GLN 183 Cb -0.13 -3.30 -0.02 0.00 0.80 0.00 0.00 33.01 30.35 1ny1 s GLN 183 CO 0.18 -0.19 0.78 0.99 -0.50 0.00 0.00 175.29 176.54 1ny1 s THR 184 N 1.60 4.94 -0.26 -0.34 2.01 -1.26 -0.95 115.64 121.38 1ny1 s THR 184 Ca 0.06 1.54 -0.04 0.00 0.31 0.00 0.00 61.69 63.56 1ny1 s THR 184 Cb -0.15 -4.09 0.02 0.00 0.01 0.00 0.00 72.50 68.28 1ny1 s THR 184 CO 0.03 0.10 -0.00 -0.69 -0.69 0.00 0.00 174.62 173.37 1ny1 s VAL 185 N 1.74 3.34 0.00 3.82 1.01 0.39 -2.55 120.40 128.15 1ny1 s VAL 185 Ca 0.37 -0.85 0.00 0.00 0.00 0.00 0.00 61.98 61.50 1ny1 s VAL 185 Cb -0.17 -2.69 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1ny1 s VAL 185 CO 0.14 0.17 0.00 0.49 0.00 0.00 0.00 175.10 175.90 1ny1 n PHE 186 N 4.75 0.00 -3.70 5.22 3.72 -0.16 -4.57 117.46 122.72 1ny1 n PHE 186 Ca -0.16 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.17 1ny1 n PHE 186 Cb 0.48 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 39.00 1ny1 n PHE 186 CO 0.00 0.00 0.00 1.67 -0.05 0.00 0.00 176.76 178.38 1ny1 s TRP 187 N 3.64 -0.26 0.00 1.38 -2.14 -1.26 -4.83 118.94 115.47 1ny1 s TRP 187 Ca 0.00 -0.07 0.00 0.00 2.66 0.00 0.00 56.10 58.69 1ny1 s TRP 187 Cb 0.00 0.64 0.00 0.00 -3.10 0.00 0.00 33.47 31.01 1ny1 s TRP 187 CO 0.00 -0.96 0.09 -1.13 -2.66 0.00 0.00 176.95 172.29 1ny1 n SER 188 N -0.42 0.18 -3.76 -2.66 3.41 0.00 -4.85 113.62 105.52 1ny1 n SER 188 Ca -0.08 -0.52 -0.17 0.00 -0.26 0.00 0.00 58.87 57.85 1ny1 n SER 188 Cb 0.61 0.54 -0.16 0.00 -0.26 0.00 0.00 64.21 64.93 1ny1 n SER 188 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1ny1 s VAL 189 N -0.54 -0.02 -0.04 -3.33 1.01 -0.94 -4.66 120.40 111.89 1ny1 s VAL 189 Ca 0.00 0.24 -0.29 0.00 0.00 0.00 0.00 61.98 61.92 1ny1 s VAL 189 Cb 0.00 -0.14 0.08 0.00 0.00 0.00 0.00 36.38 36.33 1ny1 s VAL 189 CO 0.00 0.12 0.75 0.00 0.00 0.00 0.00 175.10 175.97 1ny1 s ALA 190 N 1.31 -1.78 0.35 5.51 0.00 -1.26 -0.39 121.76 125.50 1ny1 s ALA 190 Ca -0.06 1.23 -0.07 0.00 0.00 0.00 0.00 51.96 53.06 1ny1 s ALA 190 Cb -0.13 0.01 0.01 0.00 0.00 0.00 0.00 23.12 23.02 1ny1 s ALA 190 CO -0.03 -0.44 0.55 -0.59 0.00 0.00 0.00 175.76 175.25 1ny1 s PHE 191 N -1.69 0.77 -1.08 0.00 -0.71 -1.26 -5.06 117.98 108.94 1ny1 s PHE 191 Ca -0.06 -1.12 -0.22 0.00 -1.04 0.00 0.00 56.93 54.49 1ny1 s PHE 191 Cb -0.00 0.17 0.05 0.00 -1.21 0.00 0.00 43.02 42.03 1ny1 s PHE 191 CO 0.03 -1.23 1.51 0.08 -1.34 0.00 0.00 175.22 174.28 1ny1 s VAL 192 N -2.96 3.96 -0.14 -2.49 1.01 -1.26 -4.62 120.40 113.91 1ny1 s VAL 192 Ca 0.26 -1.01 0.15 0.00 0.00 0.00 0.00 61.98 61.38 1ny1 s VAL 192 Cb -0.02 -5.09 0.32 0.00 0.00 0.00 0.00 36.38 31.59 1ny1 s VAL 192 CO 0.17 -1.96 1.16 -0.90 0.00 0.00 0.00 175.10 173.58 1ny1 n ASP 193 N 8.80 1.79 0.00 3.32 3.85 -1.26 -4.64 116.55 128.40 1ny1 n ASP 193 Ca 0.36 -3.19 0.00 0.00 -0.71 0.00 0.00 54.79 51.26 1ny1 n ASP 193 Cb 0.50 -0.43 0.00 0.00 -1.35 0.00 0.00 41.12 39.84 1ny1 n ASP 193 CO 0.00 0.00 0.00 -2.67 -1.01 0.00 0.00 177.20 173.52 1ny1 n TRP 194 N -1.04 0.00 -2.89 2.11 4.27 -1.26 -3.93 117.44 114.70 1ny1 n TRP 194 Ca 0.15 -0.09 -0.43 0.00 -3.89 0.00 0.00 57.50 53.23 1ny1 n TRP 194 Cb 0.70 -0.01 -0.03 0.00 -1.36 0.00 0.00 31.31 30.61 1ny1 n TRP 194 CO 0.00 0.00 0.00 0.21 -2.29 0.00 0.00 177.69 175.61 1ny1 s LYS 195 N -0.18 3.29 0.36 -2.67 2.20 -1.26 -4.91 119.74 116.57 1ny1 s LYS 195 Ca 0.00 -1.20 0.04 0.00 -0.36 0.00 0.00 55.97 54.45 1ny1 s LYS 195 Cb 0.00 -4.50 0.69 0.00 -1.51 0.00 0.00 37.83 32.51 1ny1 s LYS 195 CO 0.00 -1.79 1.98 0.82 -0.36 0.00 0.00 175.35 176.00 1ny1 h ILE 196 N 5.94 1.16 -0.00 5.43 1.08 -1.94 -2.30 117.51 126.87 1ny1 h ILE 196 Ca -0.12 -0.44 0.00 0.00 -0.39 0.00 0.00 64.86 63.91 1ny1 h ILE 196 Cb 1.05 0.57 0.00 0.00 -3.07 0.00 0.00 36.82 35.38 1ny1 h ILE 196 CO 1.16 0.18 0.00 -0.46 -0.69 0.00 0.00 178.15 178.34 1ny1 n ASN 197 N -4.39 0.06 -2.90 1.72 2.04 -1.26 -4.10 115.26 106.43 1ny1 n ASN 197 Ca 0.04 -1.31 -0.13 0.00 -0.44 0.00 0.00 54.58 52.74 1ny1 n ASN 197 Cb 0.12 -0.00 0.02 0.00 -2.53 0.00 0.00 39.78 37.39 1ny1 n ASN 197 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 1ny1 n ASN 198 N -0.81 -1.71 -4.52 0.53 4.05 -0.87 -5.08 115.26 106.84 1ny1 n ASN 198 Ca 0.17 -3.20 -0.42 0.00 0.45 0.00 0.00 54.58 51.58 1ny1 n ASN 198 Cb 0.09 1.02 -0.03 0.00 1.23 0.00 0.00 39.78 42.08 1ny1 n ASN 198 CO 0.00 0.00 0.00 -1.10 -3.05 0.00 0.00 177.26 173.11 1ny1 s GLN 199 N -0.12 3.26 0.28 1.20 -0.21 -1.21 -4.80 119.66 118.07 1ny1 s GLN 199 Ca 0.32 -0.31 0.25 0.00 0.02 0.00 0.00 55.36 55.64 1ny1 s GLN 199 Cb 0.24 -4.13 0.97 0.00 1.00 0.00 0.00 33.01 31.08 1ny1 s GLN 199 CO -0.17 -1.83 1.75 0.87 -2.12 0.00 0.00 175.29 173.80 1ny1 h LYS 200 N 9.66 0.00 0.00 2.91 1.57 -1.91 -3.47 116.57 125.33 1ny1 h LYS 200 Ca -0.27 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.51 1ny1 h LYS 200 Cb 1.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.37 1ny1 h LYS 200 CO 1.19 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.48 1ny1 n GLY 201 N 0.31 -2.30 0.29 3.86 0.00 -1.26 -4.65 105.19 101.45 1ny1 n GLY 201 Ca 0.03 -2.18 -0.16 0.00 0.00 0.00 0.00 46.02 43.71 1ny1 n GLY 201 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1ny1 h LYS 202 N 2.93 -0.67 -0.52 1.61 3.64 -1.81 -3.20 116.57 118.56 1ny1 h LYS 202 Ca 0.00 0.05 0.10 0.00 -1.27 0.00 0.00 60.65 59.52 1ny1 h LYS 202 Cb 0.00 0.15 -0.08 0.00 -0.41 0.00 0.00 32.23 31.89 1ny1 h LYS 202 CO 0.00 -0.39 0.03 -0.22 -2.27 0.00 0.00 179.45 176.60 1ny1 h LYS 203 N -0.82 0.14 -0.49 1.90 3.64 -1.94 0.71 116.57 119.71 1ny1 h LYS 203 Ca -0.07 -0.01 0.10 0.00 -1.27 0.00 0.00 60.65 59.40 1ny1 h LYS 203 Cb 0.58 -0.03 -0.08 0.00 -0.41 0.00 0.00 32.23 32.29 1ny1 h LYS 203 CO 0.12 0.09 -0.00 -0.92 -2.27 0.00 0.00 179.45 176.47 1ny1 h TYR 204 N 0.15 -0.04 -0.13 1.91 5.03 -1.82 0.14 116.97 122.21 1ny1 h TYR 204 Ca 0.26 0.04 -0.10 0.00 2.58 0.00 0.00 58.73 61.51 1ny1 h TYR 204 Cb 0.39 0.09 0.00 0.00 1.55 0.00 0.00 36.73 38.77 1ny1 h TYR 204 CO -0.30 -0.11 -0.32 0.00 -1.32 0.00 0.00 178.16 176.11 1ny1 h ALA 205 N 1.44 0.22 -0.02 1.82 0.00 -1.42 -2.96 119.26 118.34 1ny1 h ALA 205 Ca 0.25 -0.42 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1ny1 h ALA 205 Cb 0.37 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 1ny1 h ALA 205 CO -0.41 0.25 -0.11 -0.92 0.00 0.00 0.00 179.25 178.06 1ny1 h TYR 206 N 0.05 -0.29 -0.87 0.00 3.20 -0.46 -2.60 116.97 116.01 1ny1 h TYR 206 Ca -0.00 0.01 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1ny1 h TYR 206 Cb 0.92 0.13 -0.06 0.00 1.54 0.00 0.00 36.73 39.27 1ny1 h TYR 206 CO 0.10 -0.17 0.57 -0.44 -1.64 0.00 0.00 178.16 176.58 1ny1 h ASP 207 N -0.19 0.86 0.00 -2.11 3.32 -0.80 -1.70 116.42 115.81 1ny1 h ASP 207 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1ny1 h ASP 207 Cb 0.25 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 39.62 1ny1 h ASP 207 CO -0.13 0.56 0.00 1.41 -1.72 0.00 0.00 179.24 179.36 1ny1 n HIS 208 N -4.48 0.00 0.00 4.55 8.25 -0.98 -0.62 115.22 121.94 1ny1 n HIS 208 Ca 0.13 -0.13 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1ny1 n HIS 208 Cb 0.19 -0.12 0.00 0.00 1.12 0.00 0.00 29.99 31.18 1ny1 n HIS 208 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1ny1 n ILE 210 N 0.73 0.00 -0.13 1.59 2.08 -0.64 -1.24 119.36 121.76 1ny1 n ILE 210 Ca 0.00 0.00 -0.08 0.00 0.56 0.00 0.00 62.75 63.23 1ny1 n ILE 210 Cb 0.14 0.00 -0.00 0.00 -0.75 0.00 0.00 39.64 39.03 1ny1 n ILE 210 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1ny1 h LYS 211 N 0.00 0.53 -0.00 0.38 1.79 -1.12 -3.01 116.57 115.15 1ny1 h LYS 211 Ca 0.00 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.42 1ny1 h LYS 211 Cb 0.00 -0.11 0.00 0.00 -1.58 0.00 0.00 32.23 30.54 1ny1 h LYS 211 CO 0.00 0.40 -0.02 1.04 -1.08 0.00 0.00 179.45 179.79 1ny1 n GLN 212 N -4.77 0.64 -1.69 3.15 6.02 -0.37 -4.59 117.38 115.77 1ny1 n GLN 212 Ca 0.00 -0.07 -0.43 0.00 -0.01 0.00 0.00 57.00 56.49 1ny1 n GLN 212 Cb 0.05 -1.50 -0.01 0.00 1.02 0.00 0.00 30.24 29.80 1ny1 n GLN 212 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1ny1 n ALA 213 N -1.12 1.31 -3.48 -1.58 0.00 -1.14 -4.77 120.51 109.73 1ny1 n ALA 213 Ca 0.17 0.38 -0.15 0.00 0.00 0.00 0.00 53.44 53.84 1ny1 n ALA 213 Cb 0.22 -2.28 -0.04 0.00 0.00 0.00 0.00 19.45 17.35 1ny1 n ALA 213 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.50 174.12 1ny1 s HIS 214 N -0.61 -0.59 0.12 0.00 -3.43 -1.26 -4.32 115.29 105.20 1ny1 s HIS 214 Ca 0.61 0.74 -0.34 0.00 -0.80 0.00 0.00 55.06 55.27 1ny1 s HIS 214 Cb -0.60 0.48 -0.14 0.00 -1.43 0.00 0.00 32.58 30.90 1ny1 s HIS 214 CO 0.56 -0.71 1.61 -2.30 -2.00 0.00 0.00 174.74 171.90 1ny1 n PRO 215 N 0.30 2.11 -0.99 -0.38 -0.02 -1.26 -1.64 135.00 133.11 1ny1 n PRO 215 Ca -0.18 0.76 0.00 0.00 -2.02 0.00 0.00 63.50 62.06 1ny1 n PRO 215 Cb 0.61 -2.53 0.00 0.00 -0.02 0.00 0.00 33.50 31.55 1ny1 n PRO 215 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1ny1 n GLY 216 N 3.50 0.60 3.74 -1.23 0.00 0.12 -4.37 105.19 107.55 1ny1 n GLY 216 Ca 0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.78 1ny1 n GLY 216 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ny1 n ALA 217 N 1.00 2.49 -3.46 4.61 0.00 -0.65 -0.41 120.51 124.09 1ny1 n ALA 217 Ca 0.00 0.38 -0.41 0.00 0.00 0.00 0.00 53.44 53.40 1ny1 n ALA 217 Cb 0.02 -2.46 -0.08 0.00 0.00 0.00 0.00 19.45 16.93 1ny1 n ALA 217 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 1ny1 s ILE 218 N 0.11 4.34 0.25 0.00 1.01 -1.26 -1.02 121.20 124.64 1ny1 s ILE 218 Ca 0.65 -1.67 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 1ny1 s ILE 218 Cb -0.51 -3.81 -0.09 0.00 0.01 0.00 0.00 42.46 38.06 1ny1 s ILE 218 CO 0.47 -0.73 0.95 -0.31 0.00 0.00 0.00 174.94 175.32 1ny1 s TYR 219 N 1.40 3.93 -0.25 3.97 4.12 -0.29 -0.82 117.35 129.42 1ny1 s TYR 219 Ca 0.05 1.89 0.00 0.00 0.02 0.00 0.00 57.07 59.03 1ny1 s TYR 219 Cb -0.26 -3.00 0.04 0.00 -1.52 0.00 0.00 41.96 37.22 1ny1 s TYR 219 CO 0.00 0.35 -0.09 -1.17 0.02 0.00 0.00 175.55 174.66 1ny1 s LEU 220 N -1.27 3.20 0.17 -1.29 2.96 0.48 -1.28 118.68 121.65 1ny1 s LEU 220 Ca 0.42 -1.07 0.08 0.00 -0.22 0.00 0.00 54.13 53.34 1ny1 s LEU 220 Cb -0.26 -1.60 -0.04 0.00 0.50 0.00 0.00 46.19 44.79 1ny1 s LEU 220 CO 0.32 -0.15 -0.17 -0.76 -1.32 0.00 0.00 176.35 174.28 1ny1 s LEU 221 N 1.23 2.47 0.34 -0.68 1.43 -0.53 -4.45 118.68 118.48 1ny1 s LEU 221 Ca -0.03 -0.90 0.09 0.00 -1.03 0.00 0.00 54.13 52.26 1ny1 s LEU 221 Cb -0.18 -0.77 -0.05 0.00 0.03 0.00 0.00 46.19 45.22 1ny1 s LEU 221 CO -0.06 -0.08 0.08 -1.00 0.23 0.00 0.00 176.35 175.52 1ny1 s HIS 222 N -2.29 2.62 -0.13 0.29 3.76 -1.26 -1.71 115.29 116.57 1ny1 s HIS 222 Ca 0.17 -0.41 0.15 0.00 -0.15 0.00 0.00 55.06 54.81 1ny1 s HIS 222 Cb -0.04 -1.57 0.31 0.00 1.11 0.00 0.00 32.58 32.39 1ny1 s HIS 222 CO 0.07 0.41 1.16 0.25 -0.85 0.00 0.00 174.74 175.77 1ny1 n THR 223 N -1.05 1.68 0.69 1.30 -2.24 -1.26 -4.74 114.28 108.65 1ny1 n THR 223 Ca -0.04 -2.28 0.09 0.00 -2.27 0.00 0.00 64.05 59.56 1ny1 n THR 223 Cb 0.62 -0.08 -0.11 0.00 -2.10 0.00 0.00 70.33 68.65 1ny1 n THR 223 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1ny1 n VAL 224 N -1.06 0.00 -3.48 2.28 0.24 -1.26 -4.07 118.33 110.97 1ny1 n VAL 224 Ca 0.15 -0.14 -0.38 0.00 -2.04 0.00 0.00 64.34 61.93 1ny1 n VAL 224 Cb 0.70 0.80 -0.06 0.00 -1.47 0.00 0.00 33.84 33.81 1ny1 n VAL 224 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1ny1 s SER 225 N -3.07 6.82 0.08 -1.34 0.15 -1.25 -4.81 113.70 110.28 1ny1 s SER 225 Ca 0.04 0.98 -0.36 0.00 0.70 0.00 0.00 55.95 57.31 1ny1 s SER 225 Cb 0.14 -2.26 -0.18 0.00 -1.71 0.00 0.00 66.02 62.01 1ny1 s SER 225 CO 0.77 0.31 1.11 -1.14 1.20 0.00 0.00 173.24 175.48 1ny1 n ARG 226 N 1.72 0.56 -1.27 5.44 0.63 -1.26 -1.11 116.66 121.36 1ny1 n ARG 226 Ca -0.13 0.20 -0.09 0.00 -0.92 0.00 0.00 57.85 56.91 1ny1 n ARG 226 Cb 0.52 -1.69 -0.04 0.00 0.45 0.00 0.00 32.46 31.70 1ny1 n ARG 226 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1ny1 n ASP 227 N 1.94 -5.34 0.06 6.15 9.92 -1.26 -4.34 116.55 123.67 1ny1 n ASP 227 Ca 0.18 0.23 0.01 0.00 -0.53 0.00 0.00 54.79 54.69 1ny1 n ASP 227 Cb 0.16 -3.66 0.35 0.00 -0.64 0.00 0.00 41.12 37.33 1ny1 n ASP 227 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1ny1 h ASN 228 N 0.00 0.36 -0.46 -2.24 -1.07 -1.46 -1.14 115.58 109.57 1ny1 h ASN 228 Ca -0.19 -0.07 -0.09 0.00 0.07 0.00 0.00 56.30 56.02 1ny1 h ASN 228 Cb 1.01 -0.09 -0.01 0.00 -2.07 0.00 0.00 38.32 37.15 1ny1 h ASN 228 CO 0.28 0.47 -0.08 0.00 0.07 0.00 0.00 177.43 178.17 1ny1 h ALA 229 N 1.58 0.62 -0.66 4.14 0.00 -1.89 -1.31 119.26 121.74 1ny1 h ALA 229 Ca 0.08 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.60 1ny1 h ALA 229 Cb 0.33 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.93 1ny1 h ALA 229 CO 0.01 0.49 0.13 0.93 0.00 0.00 0.00 179.25 180.82 1ny1 h GLU 230 N 0.70 1.07 -0.52 0.00 3.07 -1.84 -0.30 114.58 116.76 1ny1 h GLU 230 Ca 0.12 -0.27 -0.04 0.00 -0.50 0.00 0.00 59.36 58.66 1ny1 h GLU 230 Cb 0.61 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.37 1ny1 h GLU 230 CO 0.04 0.98 0.17 0.00 -1.40 0.00 0.00 179.01 178.79 1ny1 h ALA 231 N 1.05 0.68 -0.70 3.43 0.00 -1.08 -2.06 119.26 120.59 1ny1 h ALA 231 Ca 0.20 -0.19 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1ny1 h ALA 231 Cb 0.40 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 1ny1 h ALA 231 CO 0.01 0.34 0.28 1.25 0.00 0.00 0.00 179.25 181.12 1ny1 h LEU 232 N 0.71 0.96 -0.23 0.00 5.85 -0.95 0.69 115.31 122.34 1ny1 h LEU 232 Ca 0.17 -0.17 0.03 0.00 0.84 0.00 0.00 57.88 58.75 1ny1 h LEU 232 Cb 0.27 -0.25 -0.03 0.00 0.37 0.00 0.00 40.66 41.02 1ny1 h LEU 232 CO -0.01 0.87 0.04 -0.78 -0.34 0.00 0.00 178.44 178.22 1ny1 h ASP 233 N 0.99 -0.01 -0.36 1.25 1.82 -0.79 0.14 116.42 119.47 1ny1 h ASP 233 Ca 0.23 0.04 -0.12 0.00 -0.39 0.00 0.00 57.03 56.79 1ny1 h ASP 233 Cb 0.21 0.06 -0.01 0.00 0.68 0.00 0.00 39.33 40.26 1ny1 h ASP 233 CO -0.02 0.03 -0.22 0.44 -1.61 0.00 0.00 179.24 177.86 1ny1 h ASP 234 N 0.12 0.87 -0.41 2.28 3.32 -1.10 -2.28 116.42 119.22 1ny1 h ASP 234 Ca 0.11 -0.32 -0.04 0.00 0.02 0.00 0.00 57.03 56.79 1ny1 h ASP 234 Cb 0.11 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.40 1ny1 h ASP 234 CO -0.15 1.06 0.10 0.00 -1.72 0.00 0.00 179.24 178.54 1ny1 h ALA 235 N 1.00 0.55 -0.71 3.45 0.00 -0.51 -0.42 119.26 122.62 1ny1 h ALA 235 Ca 0.10 -0.19 -0.06 0.00 0.00 0.00 0.00 54.91 54.76 1ny1 h ALA 235 Cb 0.76 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.36 1ny1 h ALA 235 CO 0.06 0.22 0.22 0.82 0.00 0.00 0.00 179.25 180.57 1ny1 h ILE 236 N 0.53 1.26 0.34 0.00 2.04 -0.93 0.26 117.51 121.01 1ny1 h ILE 236 Ca 0.13 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 65.07 1ny1 h ILE 236 Cb 0.31 0.50 0.00 0.00 -0.74 0.00 0.00 36.82 36.89 1ny1 h ILE 236 CO 0.00 0.35 -0.16 0.74 0.00 0.00 0.00 178.15 179.08 1ny1 h THR 237 N 1.05 0.68 -0.67 -0.27 2.02 -1.19 -0.71 112.91 113.81 1ny1 h THR 237 Ca 0.23 -0.14 -0.08 0.00 0.77 0.00 0.00 66.41 67.18 1ny1 h THR 237 Cb 0.31 0.76 -0.03 0.00 -1.74 0.00 0.00 68.15 67.46 1ny1 h THR 237 CO -0.01 0.03 0.11 0.44 0.37 0.00 0.00 175.52 176.47 1ny1 h ASP 238 N -0.53 1.07 -0.23 4.18 5.19 -0.97 -2.11 116.42 123.02 1ny1 h ASP 238 Ca -0.05 -0.26 -0.10 0.00 -0.62 0.00 0.00 57.03 56.00 1ny1 h ASP 238 Cb 0.40 -0.28 -0.02 0.00 0.18 0.00 0.00 39.33 39.61 1ny1 h ASP 238 CO 0.08 1.06 -0.20 -0.07 -3.12 0.00 0.00 179.24 176.98 1ny1 h LEU 239 N 1.04 0.68 -0.50 1.55 3.38 -0.44 -2.19 115.31 118.82 1ny1 h LEU 239 Ca 0.21 -0.23 -0.04 0.00 0.09 0.00 0.00 57.88 57.91 1ny1 h LEU 239 Cb 0.44 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.98 1ny1 h LEU 239 CO 0.01 0.88 0.16 0.11 0.09 0.00 0.00 178.44 179.69 1ny1 h LYS 240 N 0.60 0.78 -0.22 1.13 1.57 -0.94 -1.82 116.57 117.68 1ny1 h LYS 240 Ca 0.09 -0.17 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1ny1 h LYS 240 Cb 0.67 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.85 1ny1 h LYS 240 CO 0.05 0.72 0.15 -0.22 -0.57 0.00 0.00 179.45 179.58 1ny1 h LYS 241 N 0.68 0.24 0.00 3.15 3.64 -1.08 0.63 116.57 123.82 1ny1 h LYS 241 Ca 0.16 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.53 1ny1 h LYS 241 Cb 0.27 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1ny1 h LYS 241 CO -0.01 0.16 0.00 1.04 -2.27 0.00 0.00 179.45 178.37 1ny1 n GLN 242 N -4.50 0.08 0.00 1.90 6.02 -0.85 -4.87 117.38 115.17 1ny1 n GLN 242 Ca 0.01 0.22 0.00 0.00 -0.01 0.00 0.00 57.00 57.22 1ny1 n GLN 242 Cb 0.12 -1.63 0.00 0.00 1.02 0.00 0.00 30.24 29.75 1ny1 n GLN 242 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ny1 n GLY 243 N 0.58 1.15 3.83 1.08 0.00 0.21 -5.10 105.19 106.95 1ny1 n GLY 243 Ca 0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.74 1ny1 n GLY 243 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ny1 s TYR 244 N -2.00 3.37 -0.02 1.61 2.02 -0.74 -4.82 117.35 116.77 1ny1 s TYR 244 Ca 0.00 1.47 0.06 0.00 -0.37 0.00 0.00 57.07 58.23 1ny1 s TYR 244 Cb 0.00 -2.76 -0.02 0.00 -0.40 0.00 0.00 41.96 38.79 1ny1 s TYR 244 CO 0.00 -0.16 -0.21 0.99 -1.57 0.00 0.00 175.55 174.61 1ny1 s THR 245 N -2.30 1.62 -0.22 -0.71 2.01 -0.40 -4.37 115.64 111.27 1ny1 s THR 245 Ca 0.59 -0.88 -0.08 0.00 0.31 0.00 0.00 61.69 61.63 1ny1 s THR 245 Cb -0.10 -1.35 -0.04 0.00 0.01 0.00 0.00 72.50 71.02 1ny1 s THR 245 CO 0.20 0.46 0.10 -0.36 -0.69 0.00 0.00 174.62 174.33 1ny1 s PHE 246 N -0.46 3.21 0.35 4.92 0.08 -1.26 -1.06 117.98 123.76 1ny1 s PHE 246 Ca 0.07 -0.04 0.06 0.00 0.12 0.00 0.00 56.93 57.14 1ny1 s PHE 246 Cb -0.08 -2.19 -0.07 0.00 -0.57 0.00 0.00 43.02 40.11 1ny1 s PHE 246 CO -0.01 -0.05 0.02 0.15 -0.10 0.00 0.00 175.22 175.23 1ny1 s LYS 247 N 1.02 1.76 0.48 0.44 1.02 -0.25 -4.77 119.74 119.44 1ny1 s LYS 247 Ca 0.05 -1.97 0.06 0.00 0.02 0.00 0.00 55.97 54.12 1ny1 s LYS 247 Cb -0.14 -1.25 0.02 0.00 -0.52 0.00 0.00 37.83 35.95 1ny1 s LYS 247 CO 0.03 -0.09 0.66 -1.54 -0.92 0.00 0.00 175.35 173.49 1ny1 s SER 248 N -3.57 5.49 0.30 2.83 1.04 -1.26 -3.94 113.70 114.58 1ny1 s SER 248 Ca 0.35 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.50 1ny1 s SER 248 Cb 0.08 -0.70 0.47 0.00 0.10 0.00 0.00 66.02 65.97 1ny1 s SER 248 CO 0.16 -0.93 1.82 0.40 0.98 0.00 0.00 173.24 175.67 1ny1 h ILE 249 N 0.41 1.22 -0.61 -1.02 1.08 -1.89 -0.96 117.51 115.74 1ny1 h ILE 249 Ca -0.40 -0.89 -0.03 0.00 -0.39 0.00 0.00 64.86 63.15 1ny1 h ILE 249 Cb 1.29 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.91 1ny1 h ILE 249 CO 0.47 0.31 0.27 0.44 -0.69 0.00 0.00 178.15 178.96 1ny1 h ASP 250 N 0.63 0.82 -0.26 1.72 3.32 -1.99 -2.43 116.42 118.22 1ny1 h ASP 250 Ca 0.13 -0.15 0.01 0.00 0.02 0.00 0.00 57.03 57.05 1ny1 h ASP 250 Cb 0.38 -0.21 -0.02 0.00 0.22 0.00 0.00 39.33 39.70 1ny1 h ASP 250 CO 0.01 0.74 0.14 0.44 -1.72 0.00 0.00 179.24 178.85 1ny1 h ASP 251 N 0.84 0.21 0.00 6.45 3.32 -1.80 0.47 116.42 125.90 1ny1 h ASP 251 Ca 0.21 0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.26 1ny1 h ASP 251 Cb 0.15 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1ny1 h ASP 251 CO -0.02 0.16 0.00 -0.11 -1.72 0.00 0.00 179.24 177.55 1ny1 n LEU 252 N -4.96 0.00 0.00 1.55 0.00 -0.42 0.01 117.00 113.19 1ny1 n LEU 252 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 56.01 55.99 1ny1 n LEU 252 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.48 1ny1 n LEU 252 CO 0.32 0.00 0.00 0.33 0.00 0.00 0.00 177.39 178.04 1ny1 n PHE 254 N 0.09 0.00 -0.18 1.96 7.35 0.15 -1.91 117.46 124.92 1ny1 n PHE 254 Ca 0.00 0.00 0.12 0.00 -0.76 0.00 0.00 57.45 56.81 1ny1 n PHE 254 Cb 0.00 0.00 0.44 0.00 0.35 0.00 0.00 39.48 40.27 1ny1 n PHE 254 CO 0.00 0.00 0.00 0.93 -0.76 0.00 0.00 176.76 176.93 1ny1 h GLU 255 N 0.00 0.54 0.49 -4.13 5.08 -0.65 -1.36 114.58 114.55 1ny1 h GLU 255 Ca 0.00 -0.03 -0.02 0.00 -1.00 0.00 0.00 59.36 58.30 1ny1 h GLU 255 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ny1 h GLU 255 CO 0.00 0.36 -0.23 -0.22 -1.00 0.00 0.00 179.01 177.91 1ny1 h LYS 256 N 0.56 -0.63 0.00 2.33 3.64 -1.56 -3.53 116.57 117.37 1ny1 h LYS 256 Ca 0.36 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1ny1 h LYS 256 Cb 0.64 0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.61 1ny1 h LYS 256 CO -0.13 -0.39 0.00 -1.91 -2.27 0.00 0.00 179.45 174.75