#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1yxx n LEU 34 N 0.00 0.00 -2.04 2.45 7.94 -1.26 -4.52 117.00 119.57 1yxx n LEU 34 Ca 0.00 0.00 -0.26 0.00 -1.11 0.00 0.00 56.01 54.64 1yxx n LEU 34 Cb 0.00 0.00 0.09 0.00 0.53 0.00 0.00 43.42 44.04 1yxx n LEU 34 CO 0.00 0.00 0.93 -1.84 -1.11 0.00 0.00 177.39 175.37 1yxx n GLU 35 N 0.00 2.79 0.00 1.96 0.28 -1.26 -4.22 120.64 120.19 1yxx n GLU 35 Ca 0.00 -3.52 0.09 0.00 -0.16 0.00 0.00 57.16 53.58 1yxx n GLU 35 Cb 0.00 -2.20 0.04 0.00 1.43 0.00 0.00 31.44 30.71 1yxx n GLU 35 CO 0.00 0.00 0.00 0.43 -0.16 0.00 0.00 177.13 177.40 1yxx n SER 36 N -0.91 2.22 -0.05 -1.84 7.64 -1.26 -4.39 113.62 115.02 1yxx n SER 36 Ca 0.52 -1.61 -0.12 0.00 1.01 0.00 0.00 58.87 58.67 1yxx n SER 36 Cb 0.91 0.24 -0.14 0.00 -1.01 0.00 0.00 64.21 64.20 1yxx n SER 36 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1yxx n GLN 37 N 0.52 0.67 -4.49 1.43 6.02 -1.26 -4.88 117.38 115.38 1yxx n GLN 37 Ca 0.10 0.19 -0.29 0.00 -0.01 0.00 0.00 57.00 56.98 1yxx n GLN 37 Cb 0.44 -1.67 -0.13 0.00 1.02 0.00 0.00 30.24 29.90 1yxx n GLN 37 CO 0.00 0.00 0.00 0.71 -1.01 0.00 0.00 177.06 176.76 1yxx s TYR 38 N -2.55 2.37 -0.25 1.08 2.02 -1.26 0.25 117.35 119.01 1yxx s TYR 38 Ca -0.12 -0.35 -0.06 0.00 -0.37 0.00 0.00 57.07 56.17 1yxx s TYR 38 Cb 0.07 -1.31 -0.01 0.00 -0.40 0.00 0.00 41.96 40.31 1yxx s TYR 38 CO 0.80 0.30 0.03 -1.14 -1.57 0.00 0.00 175.55 173.97 1yxx s GLN 39 N -1.87 3.34 0.11 -0.62 0.74 -0.48 -4.88 119.66 115.99 1yxx s GLN 39 Ca 0.14 -0.67 -0.30 0.00 0.05 0.00 0.00 55.36 54.58 1yxx s GLN 39 Cb -0.10 -3.21 -0.06 0.00 1.10 0.00 0.00 33.01 30.73 1yxx s GLN 39 CO 0.06 -0.28 1.17 0.08 -0.55 0.00 0.00 175.29 175.77 1yxx s VAL 40 N 1.52 3.95 0.00 1.34 1.01 -1.26 -2.12 120.40 124.83 1yxx s VAL 40 Ca 0.05 1.49 0.00 0.00 0.00 0.00 0.00 61.98 63.52 1yxx s VAL 40 Cb -0.16 -3.95 0.00 0.00 0.00 0.00 0.00 36.38 32.27 1yxx s VAL 40 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 1yxx n GLY 41 N 2.78 3.47 3.79 4.51 0.00 0.16 -4.98 105.19 114.91 1yxx n GLY 41 Ca 0.07 -1.92 -0.35 0.00 0.00 0.00 0.00 46.02 43.82 1yxx n GLY 41 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 1yxx s PRO 42 N 2.90 3.63 0.11 1.61 0.02 -1.26 -4.57 135.00 137.44 1yxx s PRO 42 Ca 0.00 1.48 -0.31 0.00 0.02 0.00 0.00 61.00 62.19 1yxx s PRO 42 Cb 0.00 -2.08 -0.09 0.00 0.02 0.00 0.00 34.50 32.35 1yxx s PRO 42 CO 0.00 -0.60 1.56 -1.17 -0.33 0.00 0.00 177.00 176.46 1yxx s LEU 43 N -3.57 4.36 -0.07 -5.54 2.96 -1.26 -0.98 118.68 114.58 1yxx s LEU 43 Ca 0.69 2.48 0.08 0.00 -0.22 0.00 0.00 54.13 57.16 1yxx s LEU 43 Cb -0.20 -3.58 -0.24 0.00 0.50 0.00 0.00 46.19 42.67 1yxx s LEU 43 CO 0.23 -0.82 0.55 0.18 -1.32 0.00 0.00 176.35 175.18 1yxx n LEU 44 N 4.71 1.32 -3.61 -0.68 4.77 0.14 -4.87 117.00 118.78 1yxx n LEU 44 Ca 0.14 0.34 -0.00 0.00 -0.03 0.00 0.00 56.01 56.46 1yxx n LEU 44 Cb 0.40 -0.16 -0.01 0.00 -2.33 0.00 0.00 43.42 41.32 1yxx n LEU 44 CO 0.61 0.52 1.07 -0.83 -1.33 0.00 0.00 177.39 177.43 1yxx s GLY 45 N -5.26 -0.37 -0.01 -0.72 0.00 -1.03 -5.01 107.32 94.91 1yxx s GLY 45 Ca -0.10 1.05 -0.24 0.00 0.00 0.00 0.00 44.72 45.44 1yxx s GLY 45 CO 0.81 0.28 0.53 -1.35 0.00 0.00 0.00 173.10 173.36 1yxx s SER 46 N -2.69 -0.46 0.00 1.64 1.04 -1.26 -1.50 113.70 110.47 1yxx s SER 46 Ca 0.13 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.93 1yxx s SER 46 Cb 0.03 0.46 0.00 0.00 0.10 0.00 0.00 66.02 66.61 1yxx s SER 46 CO -0.04 -0.60 0.00 0.61 0.98 0.00 0.00 173.24 174.19 1yxx n GLY 47 N 0.86 -0.66 0.00 7.32 0.00 -0.81 -4.96 105.19 106.93 1yxx n GLY 47 Ca -0.20 -0.50 0.03 0.00 0.00 0.00 0.00 46.02 45.36 1yxx n GLY 47 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1yxx n GLY 48 N 0.00 -0.57 0.01 -0.02 0.00 -1.26 -1.64 105.19 101.72 1yxx n GLY 48 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 46.02 46.10 1yxx n GLY 48 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1yxx n PHE 49 N -1.35 0.10 0.00 1.61 1.16 -1.26 -5.08 117.46 112.64 1yxx n PHE 49 Ca 0.03 0.03 0.00 0.00 -1.87 0.00 0.00 57.45 55.64 1yxx n PHE 49 Cb 0.06 -0.25 0.00 0.00 -1.61 0.00 0.00 39.48 37.68 1yxx n PHE 49 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 1yxx n GLY 50 N 1.44 0.13 3.08 4.97 0.00 -0.65 -4.74 105.19 109.41 1yxx n GLY 50 Ca 0.03 -2.01 -0.29 0.00 0.00 0.00 0.00 46.02 43.75 1yxx n GLY 50 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1yxx s SER 51 N -4.00 2.60 -0.15 1.61 0.01 -1.02 -1.93 113.70 110.82 1yxx s SER 51 Ca 0.00 -0.47 0.01 0.00 1.31 0.00 0.00 55.95 56.80 1yxx s SER 51 Cb 0.00 -1.17 0.00 0.00 0.21 0.00 0.00 66.02 65.06 1yxx s SER 51 CO 0.00 0.02 -0.16 -0.69 0.41 0.00 0.00 173.24 172.82 1yxx s VAL 52 N 0.99 2.55 0.21 3.43 1.01 -0.56 -1.04 120.40 126.99 1yxx s VAL 52 Ca -0.06 -0.81 0.08 0.00 0.00 0.00 0.00 61.98 61.20 1yxx s VAL 52 Cb -0.15 -2.07 -0.04 0.00 0.00 0.00 0.00 36.38 34.12 1yxx s VAL 52 CO -0.02 0.52 -0.01 -0.31 0.00 0.00 0.00 175.10 175.28 1yxx s TYR 53 N 0.83 2.76 0.20 5.22 1.51 0.29 0.24 117.35 128.41 1yxx s TYR 53 Ca -0.05 -0.18 -0.28 0.00 -1.01 0.00 0.00 57.07 55.55 1yxx s TYR 53 Cb -0.15 -1.29 -0.08 0.00 -0.11 0.00 0.00 41.96 40.32 1yxx s TYR 53 CO -0.01 0.56 0.86 0.45 -1.11 0.00 0.00 175.55 176.30 1yxx s SER 54 N -3.26 7.52 0.29 2.29 0.15 -0.15 -0.88 113.70 119.67 1yxx s SER 54 Ca 0.29 1.80 -0.00 0.00 0.70 0.00 0.00 55.95 58.74 1yxx s SER 54 Cb -0.08 -2.56 -0.02 0.00 -1.71 0.00 0.00 66.02 61.66 1yxx s SER 54 CO 0.19 0.18 0.33 -0.83 1.20 0.00 0.00 173.24 174.31 1yxx s GLY 55 N -1.17 1.65 -0.09 9.45 0.00 0.26 0.36 107.32 117.79 1yxx s GLY 55 Ca 0.38 -1.67 -0.03 0.00 0.00 0.00 0.00 44.72 43.40 1yxx s GLY 55 CO 0.29 -1.21 0.17 -0.42 0.00 0.00 0.00 173.10 171.93 1yxx s ILE 56 N -3.56 -0.25 -0.16 0.90 1.01 -0.90 -1.56 121.20 116.69 1yxx s ILE 56 Ca 0.35 0.33 -0.29 0.00 0.00 0.00 0.00 60.65 61.04 1yxx s ILE 56 Cb 0.02 -0.30 -0.05 0.00 0.01 0.00 0.00 42.46 42.14 1yxx s ILE 56 CO 0.19 0.14 1.91 -0.60 0.00 0.00 0.00 174.94 176.58 1yxx s ARG 57 N 2.16 3.65 0.34 2.79 3.52 -0.11 -1.38 118.95 129.92 1yxx s ARG 57 Ca 0.01 2.02 0.02 0.00 -0.13 0.00 0.00 55.73 57.66 1yxx s ARG 57 Cb -0.12 -4.19 0.60 0.00 -1.56 0.00 0.00 34.95 29.69 1yxx s ARG 57 CO -0.06 -1.49 1.97 0.28 -0.81 0.00 0.00 175.30 175.19 1yxx h VAL 58 N 6.36 1.17 -0.56 7.11 2.07 -0.54 0.95 116.25 132.82 1yxx h VAL 58 Ca -0.40 -0.42 0.06 0.00 0.82 0.00 0.00 66.70 66.75 1yxx h VAL 58 Cb 1.20 0.38 -0.03 0.00 -1.52 0.00 0.00 31.29 31.33 1yxx h VAL 58 CO 0.97 0.19 0.37 0.77 0.02 0.00 0.00 177.57 179.90 1yxx h SER 59 N 0.80 0.47 0.00 0.57 4.64 -1.90 -3.33 113.55 114.81 1yxx h SER 59 Ca 0.21 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.51 1yxx h SER 59 Cb 0.01 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.96 1yxx h SER 59 CO -0.04 0.31 -0.48 -0.90 -0.87 0.00 0.00 176.83 174.86 1yxx n ASP 60 N -4.47 0.07 -4.01 4.97 5.75 -1.14 -5.02 116.55 112.70 1yxx n ASP 60 Ca 0.08 -1.87 -0.33 0.00 -0.01 0.00 0.00 54.79 52.66 1yxx n ASP 60 Cb 0.23 -0.18 -0.00 0.00 -1.03 0.00 0.00 41.12 40.14 1yxx n ASP 60 CO 0.00 0.00 0.00 0.59 -0.11 0.00 0.00 177.20 177.68 1yxx n ASN 61 N 0.04 -4.02 -4.70 -1.12 3.02 0.32 -4.95 115.26 103.85 1yxx n ASN 61 Ca 0.00 -0.85 -0.41 0.00 -0.03 0.00 0.00 54.58 53.30 1yxx n ASN 61 Cb 0.71 -3.25 -0.04 0.00 -0.61 0.00 0.00 39.78 36.58 1yxx n ASN 61 CO 0.00 0.00 0.00 -0.22 -2.62 0.00 0.00 177.26 174.42 1yxx s LEU 62 N -7.20 4.28 0.07 3.41 2.96 -1.15 -4.82 118.68 116.23 1yxx s LEU 62 Ca 0.68 1.26 -0.30 0.00 -0.22 0.00 0.00 54.13 55.54 1yxx s LEU 62 Cb -0.36 -3.21 -0.09 0.00 0.50 0.00 0.00 46.19 43.03 1yxx s LEU 62 CO 0.84 -0.24 1.87 -2.84 -1.32 0.00 0.00 176.35 174.67 1yxx s PRO 63 N 1.30 4.14 0.25 0.98 0.02 -1.26 -0.93 135.00 139.49 1yxx s PRO 63 Ca 0.40 2.57 0.02 0.00 0.02 0.00 0.00 61.00 64.01 1yxx s PRO 63 Cb -0.18 -3.88 -0.05 0.00 0.02 0.00 0.00 34.50 30.41 1yxx s PRO 63 CO 0.18 -0.89 0.04 0.14 -0.33 0.00 0.00 177.00 176.14 1yxx s VAL 64 N 3.60 0.83 -0.11 3.83 -7.23 -0.60 -2.82 120.40 117.89 1yxx s VAL 64 Ca 0.84 -2.01 0.04 0.00 -1.81 0.00 0.00 61.98 59.03 1yxx s VAL 64 Cb -0.43 -2.49 0.00 0.00 0.56 0.00 0.00 36.38 34.01 1yxx s VAL 64 CO 0.38 -0.17 -0.23 0.00 -0.31 0.00 0.00 175.10 174.77 1yxx s ALA 65 N -3.56 2.19 -0.34 1.32 0.00 0.61 -0.57 121.76 121.40 1yxx s ALA 65 Ca 0.33 -1.00 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 1yxx s ALA 65 Cb 0.07 -0.87 0.02 0.00 0.00 0.00 0.00 23.12 22.34 1yxx s ALA 65 CO 0.11 0.19 0.16 0.42 0.00 0.00 0.00 175.76 176.64 1yxx s ILE 66 N 0.49 4.38 -0.20 0.00 1.01 -0.06 -0.18 121.20 126.64 1yxx s ILE 66 Ca -0.15 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 1yxx s ILE 66 Cb -0.17 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 38.90 1yxx s ILE 66 CO 0.06 -0.10 0.08 -0.75 0.00 0.00 0.00 174.94 174.23 1yxx s LYS 67 N 1.54 3.95 -0.21 2.79 2.20 -0.11 -0.55 119.74 129.36 1yxx s LYS 67 Ca 0.02 -0.35 -0.05 0.00 -0.36 0.00 0.00 55.97 55.23 1yxx s LYS 67 Cb -0.18 -3.28 -0.02 0.00 -1.51 0.00 0.00 37.83 32.84 1yxx s LYS 67 CO 0.05 0.18 0.00 -1.01 -0.36 0.00 0.00 175.35 174.22 1yxx s HIS 68 N 0.63 3.03 -0.11 4.03 3.76 -0.21 -0.87 115.29 125.55 1yxx s HIS 68 Ca 0.04 -0.51 0.03 0.00 -0.15 0.00 0.00 55.06 54.47 1yxx s HIS 68 Cb -0.13 -2.10 0.01 0.00 1.11 0.00 0.00 32.58 31.47 1yxx s HIS 68 CO 0.01 -0.28 -0.21 0.08 -0.85 0.00 0.00 174.74 173.49 1yxx s VAL 69 N 1.09 1.88 0.19 -0.90 1.01 -0.36 -2.42 120.40 120.90 1yxx s VAL 69 Ca 0.02 -0.90 -0.30 0.00 0.00 0.00 0.00 61.98 60.81 1yxx s VAL 69 Cb -0.14 -1.66 -0.08 0.00 0.00 0.00 0.00 36.38 34.50 1yxx s VAL 69 CO 0.01 0.52 1.11 -1.61 0.00 0.00 0.00 175.10 175.13 1yxx s GLU 70 N 0.62 4.59 0.37 2.72 2.02 -1.26 -1.27 118.70 126.48 1yxx s GLU 70 Ca -0.13 1.75 0.05 0.00 0.02 0.00 0.00 54.97 56.65 1yxx s GLU 70 Cb -0.17 -3.26 0.72 0.00 0.10 0.00 0.00 34.13 31.53 1yxx s GLU 70 CO 0.03 0.08 2.00 0.87 0.02 0.00 0.00 175.26 178.26 1yxx h LYS 71 N 4.94 0.74 0.00 1.61 1.57 -1.38 -1.97 116.57 122.09 1yxx h LYS 71 Ca -0.45 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.25 1yxx h LYS 71 Cb 1.21 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.35 1yxx h LYS 71 CO 0.72 0.49 -0.20 -0.44 -0.57 0.00 0.00 179.45 179.45 1yxx h ASP 72 N 0.76 0.00 0.08 0.86 3.32 -1.93 -2.38 116.42 117.12 1yxx h ASP 72 Ca 0.24 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.29 1yxx h ASP 72 Cb 0.04 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.59 1yxx h ASP 72 CO -0.06 0.20 -0.09 0.54 -1.72 0.00 0.00 179.24 178.11 1yxx n ARG 73 N -3.71 1.37 -3.05 3.56 1.74 -0.75 -4.77 116.66 111.04 1yxx n ARG 73 Ca -0.01 -0.79 -0.43 0.00 -0.77 0.00 0.00 57.85 55.84 1yxx n ARG 73 Cb 0.32 -1.48 -0.06 0.00 -1.02 0.00 0.00 32.46 30.22 1yxx n ARG 73 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1yxx s ILE 74 N -2.18 4.71 -0.05 0.55 1.01 -0.90 -4.86 121.20 119.48 1yxx s ILE 74 Ca 0.33 -0.24 -0.07 0.00 0.00 0.00 0.00 60.65 60.67 1yxx s ILE 74 Cb 0.20 -4.38 -0.29 0.00 0.01 0.00 0.00 42.46 38.01 1yxx s ILE 74 CO 0.40 -0.91 0.64 0.77 0.00 0.00 0.00 174.94 175.84 1yxx h SER 75 N 9.10 0.50 -3.56 3.58 4.64 -1.86 -3.45 113.55 122.50 1yxx h SER 75 Ca -0.27 -0.81 -0.68 0.00 -0.47 0.00 0.00 61.79 59.56 1yxx h SER 75 Cb 1.09 -0.16 -0.18 0.00 -0.31 0.00 0.00 62.40 62.84 1yxx h SER 75 CO 1.01 1.70 -0.15 -1.81 -0.87 0.00 0.00 176.83 176.70 1yxx s ASP 76 N -7.12 6.22 0.06 4.97 -0.00 -1.26 -5.05 116.67 114.49 1yxx s ASP 76 Ca -0.15 -0.55 0.06 0.00 -0.00 0.00 0.00 52.55 51.91 1yxx s ASP 76 Cb 0.06 -2.24 -0.04 0.00 -0.00 0.00 0.00 42.92 40.70 1yxx s ASP 76 CO 0.83 -0.59 -0.11 0.26 -0.00 0.00 0.00 175.17 175.57 1yxx s TRP 77 N 2.26 2.75 0.34 4.23 0.52 -1.26 -1.60 118.94 126.18 1yxx s TRP 77 Ca 0.14 -0.14 0.04 0.00 0.02 0.00 0.00 56.10 56.16 1yxx s TRP 77 Cb -0.16 -1.49 -0.03 0.00 -1.15 0.00 0.00 33.47 30.63 1yxx s TRP 77 CO 0.14 0.37 0.15 0.20 0.02 0.00 0.00 176.95 177.84 1yxx s GLY 78 N -1.81 2.27 -0.09 0.98 0.00 -0.81 -4.68 107.32 103.17 1yxx s GLY 78 Ca 0.19 -1.63 0.03 0.00 0.00 0.00 0.00 44.72 43.30 1yxx s GLY 78 CO 0.10 -1.68 -0.19 -1.83 0.00 0.00 0.00 173.10 169.51 1yxx s GLU 79 N -3.76 2.99 0.66 2.90 4.04 -1.26 -2.93 118.70 121.33 1yxx s GLU 79 Ca 0.32 -0.78 -0.15 0.00 0.04 0.00 0.00 54.97 54.39 1yxx s GLU 79 Cb 0.04 -2.41 0.00 0.00 0.02 0.00 0.00 34.13 31.79 1yxx s GLU 79 CO 0.17 0.31 1.13 -0.51 -1.84 0.00 0.00 175.26 174.52 1yxx s LEU 80 N 0.07 3.41 0.27 1.83 1.43 -0.96 -4.85 118.68 119.89 1yxx s LEU 80 Ca -0.08 2.09 -0.06 0.00 -1.03 0.00 0.00 54.13 55.05 1yxx s LEU 80 Cb -0.15 -4.56 0.50 0.00 0.03 0.00 0.00 46.19 42.00 1yxx s LEU 80 CO 0.05 -1.71 1.58 -0.65 0.23 0.00 0.00 176.35 175.85 1yxx h PRO 81 N 0.09 0.01 0.00 1.29 0.11 -1.98 0.34 132.00 131.86 1yxx h PRO 81 Ca -0.47 -0.00 -0.02 0.00 0.11 0.00 0.00 66.00 65.62 1yxx h PRO 81 Cb 1.26 -0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 1yxx h PRO 81 CO 0.53 0.01 -0.07 -2.95 -0.21 0.00 0.00 178.00 175.31 1yxx h ASN 82 N 0.01 0.00 0.00 -2.05 7.08 -2.06 -3.47 115.58 115.10 1yxx h ASN 82 Ca 0.48 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.70 1yxx h ASN 82 Cb 0.81 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.05 1yxx h ASN 82 CO -0.91 0.07 0.00 0.61 -2.08 0.00 0.00 177.43 175.13 1yxx n GLY 83 N 0.25 0.74 3.30 9.14 0.00 0.12 -5.16 105.19 113.57 1yxx n GLY 83 Ca 0.01 -0.64 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 1yxx n GLY 83 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yxx s THR 84 N -0.01 0.06 -0.45 2.61 2.01 -1.26 -4.88 115.64 113.72 1yxx s THR 84 Ca 0.00 -0.49 -0.29 0.00 0.31 0.00 0.00 61.69 61.22 1yxx s THR 84 Cb 0.00 -0.88 0.02 0.00 0.01 0.00 0.00 72.50 71.65 1yxx s THR 84 CO 0.00 -0.27 1.19 -0.60 -0.69 0.00 0.00 174.62 174.24 1yxx s ARG 85 N -2.19 3.73 0.05 4.92 3.52 -1.26 -2.27 118.95 125.45 1yxx s ARG 85 Ca -0.07 0.68 -0.06 0.00 -0.13 0.00 0.00 55.73 56.15 1yxx s ARG 85 Cb -0.02 -3.92 -0.01 0.00 -1.56 0.00 0.00 34.95 29.45 1yxx s ARG 85 CO -0.01 -1.38 0.11 0.14 -0.81 0.00 0.00 175.30 173.36 1yxx s VAL 86 N 4.57 0.14 0.41 7.11 -7.23 -1.15 -5.03 120.40 119.22 1yxx s VAL 86 Ca 0.50 -1.18 -0.24 0.00 -1.81 0.00 0.00 61.98 59.26 1yxx s VAL 86 Cb -0.09 -1.07 -0.12 0.00 0.56 0.00 0.00 36.38 35.66 1yxx s VAL 86 CO 0.31 -0.65 0.80 -2.65 -0.31 0.00 0.00 175.10 172.59 1yxx n PRO 87 N 0.50 0.96 -0.33 4.82 -0.02 -1.26 -1.92 135.00 137.74 1yxx n PRO 87 Ca -0.17 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1yxx n PRO 87 Cb 0.60 -1.77 0.17 0.00 -0.02 0.00 0.00 33.50 32.47 1yxx n PRO 87 CO 0.00 0.00 0.00 1.98 1.98 0.00 0.00 175.50 179.46 1yxx h MET 88 N 1.20 1.18 -0.99 -0.52 1.85 -1.57 -1.13 114.93 114.95 1yxx h MET 88 Ca -0.42 -0.07 0.30 0.00 -0.61 0.00 0.00 59.70 58.90 1yxx h MET 88 Cb 1.37 -0.27 -0.14 0.00 0.43 0.00 0.00 31.60 32.99 1yxx h MET 88 CO 0.55 0.78 0.54 1.49 -0.40 0.00 0.00 176.91 179.86 1yxx h GLU 89 N 1.21 0.36 -0.25 0.39 4.81 -1.81 0.12 114.58 119.41 1yxx h GLU 89 Ca 0.37 -0.02 -0.11 0.00 -0.13 0.00 0.00 59.36 59.47 1yxx h GLU 89 Cb -0.04 -0.08 -0.00 0.00 0.63 0.00 0.00 28.75 29.26 1yxx h GLU 89 CO -0.10 0.24 -0.27 0.28 -0.73 0.00 0.00 179.01 178.43 1yxx h VAL 90 N 0.37 1.31 -0.74 0.32 2.07 -1.55 -1.88 116.25 116.15 1yxx h VAL 90 Ca 0.69 -1.44 0.02 0.00 0.82 0.00 0.00 66.70 66.80 1yxx h VAL 90 Cb 1.51 1.66 -0.04 0.00 -1.52 0.00 0.00 31.29 32.90 1yxx h VAL 90 CO -0.58 0.45 0.47 0.58 0.02 0.00 0.00 177.57 178.51 1yxx h VAL 91 N 0.35 1.13 -0.18 2.57 2.07 -0.72 -1.85 116.25 119.62 1yxx h VAL 91 Ca 0.04 -0.32 -0.05 0.00 0.82 0.00 0.00 66.70 67.19 1yxx h VAL 91 Cb 0.83 0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1yxx h VAL 91 CO 0.07 0.17 -0.08 -0.07 0.02 0.00 0.00 177.57 177.67 1yxx h LEU 92 N 0.94 0.39 -0.83 2.57 3.38 -0.88 -2.69 115.31 118.19 1yxx h LEU 92 Ca 0.29 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.90 1yxx h LEU 92 Cb -0.03 -0.11 -0.05 0.00 0.09 0.00 0.00 40.66 40.56 1yxx h LEU 92 CO -0.09 0.71 0.52 -0.07 0.09 0.00 0.00 178.44 179.60 1yxx h LEU 93 N 0.07 0.84 -0.69 1.67 3.38 -1.16 -1.89 115.31 117.54 1yxx h LEU 93 Ca 0.04 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 1yxx h LEU 93 Cb 0.56 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 1yxx h LEU 93 CO 0.03 0.56 0.20 0.11 0.09 0.00 0.00 178.44 179.42 1yxx h LYS 94 N 0.98 1.08 -0.14 1.13 1.57 -1.31 -1.85 116.57 118.03 1yxx h LYS 94 Ca 0.35 -0.24 -0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1yxx h LYS 94 Cb 0.09 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1yxx h LYS 94 CO -0.14 0.94 -0.23 0.87 -0.57 0.00 0.00 179.45 180.32 1yxx h LYS 95 N 1.02 0.24 -0.01 3.15 1.57 -1.06 -2.81 116.57 118.67 1yxx h LYS 95 Ca 0.22 -0.08 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1yxx h LYS 95 Cb 0.32 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 32.61 1yxx h LYS 95 CO -0.00 0.47 -0.14 1.33 -0.57 0.00 0.00 179.45 180.54 1yxx n VAL 96 N -4.18 0.00 -1.97 0.50 0.24 -0.77 -4.84 118.33 107.31 1yxx n VAL 96 Ca -0.01 -0.24 -0.43 0.00 -2.04 0.00 0.00 64.34 61.62 1yxx n VAL 96 Cb 0.34 0.67 -0.03 0.00 -1.47 0.00 0.00 33.84 33.36 1yxx n VAL 96 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1yxx s SER 97 N -2.22 6.16 0.34 -1.34 0.15 -0.72 -4.94 113.70 111.14 1yxx s SER 97 Ca 0.30 1.73 -0.08 0.00 0.70 0.00 0.00 55.95 58.60 1yxx s SER 97 Cb 0.20 -2.53 0.03 0.00 -1.71 0.00 0.00 66.02 62.01 1yxx s SER 97 CO 0.42 -1.42 0.58 -1.54 1.20 0.00 0.00 173.24 172.48 1yxx n SER 98 N 9.15 -1.68 0.13 5.45 3.41 -1.26 -5.02 113.62 123.80 1yxx n SER 98 Ca 0.21 -2.58 0.12 0.00 -0.26 0.00 0.00 58.87 56.36 1yxx n SER 98 Cb 0.45 2.91 0.49 0.00 -0.26 0.00 0.00 64.21 67.80 1yxx n SER 98 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yxx n GLY 99 N -0.50 -1.29 3.66 5.00 0.00 -1.26 -4.70 105.19 106.10 1yxx n GLY 99 Ca -0.04 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.64 1yxx n GLY 99 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1yxx s PHE 100 N -3.31 1.86 -2.09 1.61 5.36 -1.26 -4.91 117.98 115.25 1yxx s PHE 100 Ca 0.04 0.06 0.21 0.00 -0.96 0.00 0.00 56.93 56.29 1yxx s PHE 100 Cb 0.09 -3.99 1.13 0.00 -0.34 0.00 0.00 43.02 39.91 1yxx s PHE 100 CO 0.40 -4.22 1.75 -1.13 -1.46 0.00 0.00 175.22 170.55 1yxx n SER 101 N 7.11 0.44 0.05 6.13 3.41 -1.26 -4.04 113.62 125.46 1yxx n SER 101 Ca 0.18 -1.43 0.11 0.00 -0.26 0.00 0.00 58.87 57.47 1yxx n SER 101 Cb 0.42 -0.02 0.46 0.00 -0.26 0.00 0.00 64.21 64.80 1yxx n SER 101 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1yxx n GLY 102 N 0.91 -1.35 3.15 5.00 0.00 -1.26 -4.59 105.19 107.05 1yxx n GLY 102 Ca 0.16 -0.03 -0.21 0.00 0.00 0.00 0.00 46.02 45.95 1yxx n GLY 102 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yxx s VAL 103 N -3.10 1.15 0.48 1.61 1.01 -1.26 -1.74 120.40 118.55 1yxx s VAL 103 Ca 0.09 -0.96 -0.24 0.00 0.00 0.00 0.00 61.98 60.87 1yxx s VAL 103 Cb 0.13 -1.02 -0.07 0.00 0.00 0.00 0.00 36.38 35.41 1yxx s VAL 103 CO 0.43 0.06 1.41 -0.51 0.00 0.00 0.00 175.10 176.50 1yxx s ILE 104 N -0.78 2.06 -0.16 2.22 1.10 -0.97 -4.85 121.20 119.82 1yxx s ILE 104 Ca 0.02 0.05 -0.05 0.00 -0.51 0.00 0.00 60.65 60.16 1yxx s ILE 104 Cb -0.08 -3.03 -0.03 0.00 0.15 0.00 0.00 42.46 39.47 1yxx s ILE 104 CO 0.01 0.00 0.02 -0.60 -2.11 0.00 0.00 174.94 172.26 1yxx s ARG 105 N -2.57 3.76 -0.41 3.50 3.52 -1.26 -4.85 118.95 120.64 1yxx s ARG 105 Ca 0.64 -0.42 -0.24 0.00 -0.13 0.00 0.00 55.73 55.57 1yxx s ARG 105 Cb -0.43 -3.05 0.02 0.00 -1.56 0.00 0.00 34.95 29.93 1yxx s ARG 105 CO 0.54 0.30 0.85 -1.17 -0.81 0.00 0.00 175.30 175.02 1yxx s LEU 106 N 0.24 4.09 0.23 -0.88 2.96 -1.26 -1.52 118.68 122.54 1yxx s LEU 106 Ca 0.01 0.23 0.18 0.00 -0.22 0.00 0.00 54.13 54.33 1yxx s LEU 106 Cb -0.13 -3.11 0.04 0.00 0.50 0.00 0.00 46.19 43.49 1yxx s LEU 106 CO 0.02 -0.89 1.22 -0.07 -1.32 0.00 0.00 176.35 175.31 1yxx h LEU 107 N 10.14 0.00 -7.08 -0.68 3.38 -1.30 -3.49 115.31 116.28 1yxx h LEU 107 Ca -0.24 0.00 0.32 0.00 0.09 0.00 0.00 57.88 58.05 1yxx h LEU 107 Cb 1.08 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.67 1yxx h LEU 107 CO 0.97 0.35 0.89 -0.62 0.09 0.00 0.00 178.44 180.12 1yxx s ASP 108 N -6.03 -0.06 0.16 -0.43 -1.08 -1.17 -5.01 116.67 103.05 1yxx s ASP 108 Ca 0.02 -0.05 -0.13 0.00 -0.52 0.00 0.00 52.55 51.87 1yxx s ASP 108 Cb 0.08 0.10 0.01 0.00 -1.46 0.00 0.00 42.92 41.65 1yxx s ASP 108 CO 0.76 -0.17 0.39 -1.66 0.52 0.00 0.00 175.17 175.01 1yxx s TRP 109 N -2.27 0.06 -0.05 -5.34 1.48 -1.26 -0.37 118.94 111.20 1yxx s TRP 109 Ca 0.13 -0.42 -0.10 0.00 -1.06 0.00 0.00 56.10 54.65 1yxx s TRP 109 Cb 0.03 0.17 0.02 0.00 -1.16 0.00 0.00 33.47 32.53 1yxx s TRP 109 CO -0.04 -0.77 0.24 -0.06 -4.06 0.00 0.00 176.95 172.26 1yxx s PHE 110 N -3.89 -0.17 -0.19 1.66 0.08 0.44 -4.99 117.98 110.92 1yxx s PHE 110 Ca 0.10 0.36 -0.07 0.00 0.12 0.00 0.00 56.93 57.44 1yxx s PHE 110 Cb 0.02 0.06 -0.04 0.00 -0.57 0.00 0.00 43.02 42.49 1yxx s PHE 110 CO -0.05 -0.24 0.04 -2.00 -0.10 0.00 0.00 175.22 172.87 1yxx s GLU 111 N -0.65 3.86 0.39 0.44 2.12 -1.26 -1.25 118.70 122.35 1yxx s GLU 111 Ca -0.07 -0.40 0.08 0.00 0.36 0.00 0.00 54.97 54.93 1yxx s GLU 111 Cb -0.04 -3.17 -0.06 0.00 0.26 0.00 0.00 34.13 31.12 1yxx s GLU 111 CO 0.02 0.19 0.09 1.03 -0.54 0.00 0.00 175.26 176.05 1yxx s ARG 112 N 0.58 2.11 0.18 4.30 0.52 0.71 -5.01 118.95 122.33 1yxx s ARG 112 Ca 0.02 -1.89 -0.26 0.00 -0.52 0.00 0.00 55.73 53.09 1yxx s ARG 112 Cb -0.13 -1.88 0.05 0.00 0.52 0.00 0.00 34.95 33.51 1yxx s ARG 112 CO 0.02 -0.03 1.55 -1.35 0.02 0.00 0.00 175.30 175.51 1yxx h PRO 113 N 1.62 -0.11 0.00 3.54 0.11 -2.03 -3.19 132.00 131.94 1yxx h PRO 113 Ca -0.43 0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.69 1yxx h PRO 113 Cb 1.25 0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.38 1yxx h PRO 113 CO 0.72 -0.07 -0.03 -0.25 -0.21 0.00 0.00 178.00 178.16 1yxx n ASP 114 N -5.38 1.99 -3.75 -2.05 10.43 -1.26 -5.02 116.55 111.51 1yxx n ASP 114 Ca 0.04 -2.55 -0.10 0.00 2.57 0.00 0.00 54.79 54.75 1yxx n ASP 114 Cb 0.34 -0.25 -0.04 0.00 1.84 0.00 0.00 41.12 43.01 1yxx n ASP 114 CO 0.00 0.00 0.00 -0.94 -1.07 0.00 0.00 177.20 175.19 1yxx s SER 115 N -1.98 -0.21 -0.04 -2.24 1.04 -1.21 -0.92 113.70 108.14 1yxx s SER 115 Ca 0.17 -0.51 0.04 0.00 0.48 0.00 0.00 55.95 56.13 1yxx s SER 115 Cb 0.15 0.54 -0.03 0.00 0.10 0.00 0.00 66.02 66.79 1yxx s SER 115 CO 0.02 -1.00 -0.13 -0.36 0.98 0.00 0.00 173.24 172.74 1yxx s PHE 116 N -3.88 2.72 -0.11 5.02 0.40 -0.40 -0.21 117.98 121.53 1yxx s PHE 116 Ca 0.09 -0.14 0.03 0.00 -0.60 0.00 0.00 56.93 56.32 1yxx s PHE 116 Cb 0.00 -1.62 0.00 0.00 0.51 0.00 0.00 43.02 41.91 1yxx s PHE 116 CO -0.04 0.22 -0.23 0.08 0.70 0.00 0.00 175.22 175.95 1yxx s VAL 117 N -0.77 2.14 -0.12 -0.44 1.01 -0.38 -1.22 120.40 120.62 1yxx s VAL 117 Ca 0.12 -0.98 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1yxx s VAL 117 Cb -0.11 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.42 1yxx s VAL 117 CO 0.01 0.55 -0.11 -0.76 0.00 0.00 0.00 175.10 174.79 1yxx s LEU 118 N 0.48 2.84 -0.33 3.92 1.02 -0.05 -0.42 118.68 126.14 1yxx s LEU 118 Ca -0.15 -0.26 -0.11 0.00 0.02 0.00 0.00 54.13 53.63 1yxx s LEU 118 Cb -0.17 -1.64 -0.00 0.00 0.02 0.00 0.00 46.19 44.39 1yxx s LEU 118 CO 0.06 0.20 0.18 -0.63 0.02 0.00 0.00 176.35 176.17 1yxx s ILE 119 N 0.18 4.76 0.24 -0.59 -1.09 0.51 -0.93 121.20 124.27 1yxx s ILE 119 Ca -0.06 -0.44 0.10 0.00 -2.23 0.00 0.00 60.65 58.02 1yxx s ILE 119 Cb -0.15 -3.47 -0.04 0.00 -1.58 0.00 0.00 42.46 37.22 1yxx s ILE 119 CO 0.04 0.00 -0.08 -0.76 -1.23 0.00 0.00 174.94 172.91 1yxx s LEU 120 N 1.63 2.97 0.67 2.97 1.43 0.75 -0.79 118.68 128.31 1yxx s LEU 120 Ca 0.05 -0.71 -0.14 0.00 -1.03 0.00 0.00 54.13 52.30 1yxx s LEU 120 Cb -0.17 -1.55 0.01 0.00 0.03 0.00 0.00 46.19 44.50 1yxx s LEU 120 CO 0.07 0.05 1.10 -1.83 0.23 0.00 0.00 176.35 175.97 1yxx s GLU 121 N -3.30 2.77 -0.23 1.70 -1.05 -0.57 -0.28 118.70 117.73 1yxx s GLU 121 Ca 0.28 1.33 -0.04 0.00 -0.15 0.00 0.00 54.97 56.39 1yxx s GLU 121 Cb -0.07 -1.95 0.08 0.00 -0.44 0.00 0.00 34.13 31.75 1yxx s GLU 121 CO 0.17 -1.27 0.09 0.50 0.95 0.00 0.00 175.26 175.70 1yxx s ARG 122 N -4.25 0.32 0.54 -4.83 3.52 -1.13 -4.29 118.95 108.84 1yxx s ARG 122 Ca 0.65 -0.41 -0.20 0.00 -0.13 0.00 0.00 55.73 55.64 1yxx s ARG 122 Cb -0.19 -1.73 -0.05 0.00 -1.56 0.00 0.00 34.95 31.42 1yxx s ARG 122 CO 0.44 -0.80 1.20 -2.14 -0.81 0.00 0.00 175.30 173.19 1yxx s PRO 123 N 2.00 3.27 -0.20 5.12 0.02 -1.26 -4.62 135.00 139.33 1yxx s PRO 123 Ca 0.04 1.84 -0.05 0.00 0.02 0.00 0.00 61.00 62.84 1yxx s PRO 123 Cb -0.16 -2.12 0.10 0.00 0.02 0.00 0.00 34.50 32.34 1yxx s PRO 123 CO -0.19 -0.97 0.39 -2.00 -0.33 0.00 0.00 177.00 173.90 1yxx s GLU 124 N -3.09 0.31 0.63 5.54 2.12 -1.26 -4.12 118.70 118.83 1yxx s GLU 124 Ca 0.72 0.85 -0.11 0.00 0.36 0.00 0.00 54.97 56.79 1yxx s GLU 124 Cb -0.30 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.10 1yxx s GLU 124 CO 0.34 -0.37 1.04 -1.25 -0.54 0.00 0.00 175.26 174.48 1yxx s PRO 125 N 2.57 3.45 0.01 4.30 0.04 -1.26 -4.94 135.00 139.17 1yxx s PRO 125 Ca 0.03 0.81 -0.12 0.00 0.04 0.00 0.00 61.00 61.77 1yxx s PRO 125 Cb -0.13 -2.06 0.01 0.00 0.04 0.00 0.00 34.50 32.36 1yxx s PRO 125 CO -0.13 -0.69 0.24 0.54 0.04 0.00 0.00 177.00 177.01 1yxx s VAL 126 N -3.11 0.08 -0.11 -0.36 0.11 -1.26 -2.70 120.40 113.04 1yxx s VAL 126 Ca 0.56 -0.64 -0.08 0.00 -2.93 0.00 0.00 61.98 58.90 1yxx s VAL 126 Cb -0.12 -0.66 0.04 0.00 -1.53 0.00 0.00 36.38 34.11 1yxx s VAL 126 CO 0.53 -0.35 0.28 -1.58 -3.33 0.00 0.00 175.10 170.65 1yxx s GLN 127 N -1.72 0.28 0.61 1.54 0.74 -0.92 -4.96 119.66 115.24 1yxx s GLN 127 Ca -0.11 0.49 -0.13 0.00 0.05 0.00 0.00 55.36 55.66 1yxx s GLN 127 Cb -0.05 0.02 -0.03 0.00 1.10 0.00 0.00 33.01 34.05 1yxx s GLN 127 CO 0.01 -0.10 1.04 0.16 -0.55 0.00 0.00 175.29 175.85 1yxx s ASP 128 N 0.76 5.90 0.37 6.67 1.47 -1.26 -0.66 116.67 129.91 1yxx s ASP 128 Ca -0.05 1.63 0.07 0.00 1.18 0.00 0.00 52.55 55.38 1yxx s ASP 128 Cb -0.06 -2.51 0.72 0.00 -0.34 0.00 0.00 42.92 40.74 1yxx s ASP 128 CO -0.05 -1.09 1.92 0.25 0.68 0.00 0.00 175.17 176.88 1yxx h LEU 129 N 0.04 0.37 -0.08 2.11 5.85 -0.88 -1.71 115.31 121.00 1yxx h LEU 129 Ca -0.45 -0.06 -0.00 0.00 0.84 0.00 0.00 57.88 58.20 1yxx h LEU 129 Cb 1.20 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.14 1yxx h LEU 129 CO 0.59 0.45 0.05 0.15 -0.34 0.00 0.00 178.44 179.34 1yxx h PHE 130 N 0.38 0.11 -0.45 1.25 3.04 -1.81 -1.03 116.94 118.44 1yxx h PHE 130 Ca 0.08 -0.00 -0.07 0.00 3.98 0.00 0.00 57.97 61.96 1yxx h PHE 130 Cb 0.30 -0.04 -0.02 0.00 2.56 0.00 0.00 35.95 38.75 1yxx h PHE 130 CO 0.01 0.12 -0.00 -0.44 -2.02 0.00 0.00 178.31 175.98 1yxx h ASP 131 N 0.07 0.70 -0.48 0.41 3.32 -1.83 -0.38 116.42 118.24 1yxx h ASP 131 Ca 0.03 -0.16 -0.03 0.00 0.02 0.00 0.00 57.03 56.89 1yxx h ASP 131 Cb 0.05 -0.19 -0.02 0.00 0.22 0.00 0.00 39.33 39.39 1yxx h ASP 131 CO -0.01 0.77 0.18 0.15 -1.72 0.00 0.00 179.24 178.62 1yxx h PHE 132 N 0.69 0.74 -0.07 4.55 3.57 -1.00 -1.70 116.94 123.71 1yxx h PHE 132 Ca 0.14 -0.06 -0.21 0.00 3.53 0.00 0.00 57.97 61.36 1yxx h PHE 132 Cb 0.43 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 38.95 1yxx h PHE 132 CO 0.02 0.63 -0.82 0.82 -2.23 0.00 0.00 178.31 176.72 1yxx h ILE 133 N 0.63 1.35 -0.96 1.41 2.04 -1.08 -0.43 117.51 120.48 1yxx h ILE 133 Ca 0.16 -2.18 0.06 0.00 1.00 0.00 0.00 64.86 63.90 1yxx h ILE 133 Cb 0.21 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.40 1yxx h ILE 133 CO -0.01 0.66 0.61 0.74 0.00 0.00 0.00 178.15 180.16 1yxx h THR 134 N 0.35 1.10 0.16 -0.27 2.02 -0.86 0.33 112.91 115.74 1yxx h THR 134 Ca -0.06 -0.39 -0.25 0.00 0.77 0.00 0.00 66.41 66.48 1yxx h THR 134 Cb 1.44 -0.14 0.02 0.00 -1.74 0.00 0.00 68.15 67.73 1yxx h THR 134 CO 0.15 0.21 -1.15 -0.33 0.37 0.00 0.00 175.52 174.77 1yxx h GLU 135 N 1.14 0.35 -0.01 6.66 5.08 -1.16 -3.38 114.58 123.25 1yxx h GLU 135 Ca 0.40 -0.60 0.00 0.00 -1.00 0.00 0.00 59.36 58.17 1yxx h GLU 135 Cb 0.12 0.22 0.00 0.00 0.50 0.00 0.00 28.75 29.59 1yxx h GLU 135 CO -0.16 1.29 -0.42 0.54 -1.00 0.00 0.00 179.01 179.26 1yxx n ARG 136 N -3.96 1.09 0.00 2.33 1.74 -0.18 -5.07 116.66 112.61 1yxx n ARG 136 Ca -0.18 -0.84 0.00 0.00 -0.77 0.00 0.00 57.85 56.06 1yxx n ARG 136 Cb 0.92 -1.48 0.00 0.00 -1.02 0.00 0.00 32.46 30.88 1yxx n ARG 136 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yxx n GLY 137 N 1.40 -0.64 3.55 -0.13 0.00 0.12 -4.77 105.19 104.71 1yxx n GLY 137 Ca 0.10 -1.03 -0.53 0.00 0.00 0.00 0.00 46.02 44.56 1yxx n GLY 137 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yxx n ALA 138 N 0.64 -1.88 -2.08 4.61 0.00 -1.26 -4.73 120.51 115.81 1yxx n ALA 138 Ca 0.00 0.53 -0.37 0.00 0.00 0.00 0.00 53.44 53.60 1yxx n ALA 138 Cb 0.00 -1.94 -0.06 0.00 0.00 0.00 0.00 19.45 17.45 1yxx n ALA 138 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1yxx s LEU 139 N 0.50 4.42 0.53 0.00 1.43 -0.26 -4.93 118.68 120.37 1yxx s LEU 139 Ca 0.83 1.47 -0.22 0.00 -1.03 0.00 0.00 54.13 55.18 1yxx s LEU 139 Cb -1.03 -3.46 -0.05 0.00 0.03 0.00 0.00 46.19 41.67 1yxx s LEU 139 CO 0.52 0.10 1.32 -1.10 0.23 0.00 0.00 176.35 177.41 1yxx s GLN 140 N -1.69 3.28 0.30 1.70 -0.21 -1.26 -4.56 119.66 117.22 1yxx s GLN 140 Ca 0.40 2.15 0.00 0.00 0.02 0.00 0.00 55.36 57.93 1yxx s GLN 140 Cb -0.19 -2.30 0.52 0.00 1.00 0.00 0.00 33.01 32.04 1yxx s GLN 140 CO 0.22 -1.05 1.92 0.93 -2.12 0.00 0.00 175.29 175.19 1yxx h GLU 141 N 1.60 1.01 -1.00 2.91 5.08 -1.96 -0.49 114.58 121.73 1yxx h GLU 141 Ca -0.51 -0.06 0.07 0.00 -1.00 0.00 0.00 59.36 57.86 1yxx h GLU 141 Cb 1.29 -0.23 -0.07 0.00 0.50 0.00 0.00 28.75 30.24 1yxx h GLU 141 CO 0.58 0.67 0.65 1.49 -1.00 0.00 0.00 179.01 181.40 1yxx h GLU 142 N 1.04 1.13 -0.09 2.33 4.81 -1.99 0.39 114.58 122.20 1yxx h GLU 142 Ca 0.38 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 59.49 1yxx h GLU 142 Cb 0.16 -0.25 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1yxx h GLU 142 CO -0.14 0.75 -0.16 1.25 -0.73 0.00 0.00 179.01 179.98 1yxx h LEU 143 N 1.16 0.29 -0.95 1.64 5.85 -1.69 -2.39 115.31 119.22 1yxx h LEU 143 Ca 0.44 -0.55 0.03 0.00 0.84 0.00 0.00 57.88 58.64 1yxx h LEU 143 Cb 0.20 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.09 1yxx h LEU 143 CO -0.18 0.79 0.62 0.00 -0.34 0.00 0.00 178.44 179.32 1yxx h ALA 144 N 0.51 1.25 -0.55 1.25 0.00 -0.43 -1.19 119.26 120.10 1yxx h ALA 144 Ca 0.01 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.89 1yxx h ALA 144 Cb 0.73 -0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.16 1yxx h ALA 144 CO 0.04 0.49 0.35 -0.09 0.00 0.00 0.00 179.25 180.04 1yxx h ARG 145 N 1.20 0.69 -0.58 0.00 2.43 -0.21 0.30 114.38 118.20 1yxx h ARG 145 Ca 0.38 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.40 1yxx h ARG 145 Cb -0.00 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.37 1yxx h ARG 145 CO -0.12 0.46 -0.04 1.03 -1.51 0.00 0.00 179.97 179.78 1yxx h SER 146 N 0.71 1.04 -0.07 -3.80 0.87 -0.88 -0.98 113.55 110.45 1yxx h SER 146 Ca 0.21 -0.32 -0.03 0.00 -1.23 0.00 0.00 61.79 60.42 1yxx h SER 146 Cb -0.04 -0.28 -0.00 0.00 -0.44 0.00 0.00 62.40 61.64 1yxx h SER 146 CO -0.06 1.11 -0.09 -0.26 -0.53 0.00 0.00 176.83 177.00 1yxx h PHE 147 N 0.95 0.23 -0.59 2.24 -1.00 -0.92 -2.48 116.94 115.37 1yxx h PHE 147 Ca 0.16 -0.07 -0.01 0.00 2.81 0.00 0.00 57.97 60.86 1yxx h PHE 147 Cb 0.61 -0.05 -0.03 0.00 3.61 0.00 0.00 35.95 40.09 1yxx h PHE 147 CO 0.04 0.66 0.34 0.35 -1.61 0.00 0.00 178.31 178.09 1yxx h PHE 148 N -0.27 0.79 -0.62 -0.55 3.57 -0.41 -1.55 116.94 117.91 1yxx h PHE 148 Ca 0.01 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.53 1yxx h PHE 148 Cb 0.63 -0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.07 1yxx h PHE 148 CO 0.10 0.56 0.36 2.35 -2.23 0.00 0.00 178.31 179.45 1yxx h TRP 149 N 0.80 0.67 -0.23 0.41 2.91 -1.19 -0.20 115.95 119.12 1yxx h TRP 149 Ca 0.21 0.02 -0.10 0.00 1.13 0.00 0.00 58.89 60.15 1yxx h TRP 149 Cb 0.01 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 28.44 1yxx h TRP 149 CO -0.02 0.36 -0.30 1.96 -1.03 0.00 0.00 178.44 179.42 1yxx h GLN 150 N 0.70 0.45 -0.56 2.65 4.20 -0.93 -1.98 115.11 119.65 1yxx h GLN 150 Ca 0.26 -0.18 -0.07 0.00 0.06 0.00 0.00 58.65 58.71 1yxx h GLN 150 Cb 0.08 -0.02 -0.02 0.00 0.30 0.00 0.00 27.48 27.82 1yxx h GLN 150 CO -0.13 0.71 0.06 0.28 -0.67 0.00 0.00 178.83 179.08 1yxx h VAL 151 N 0.39 1.26 -0.42 -0.54 2.07 -0.66 -1.52 116.25 116.83 1yxx h VAL 151 Ca 0.05 -1.02 -0.00 0.00 0.82 0.00 0.00 66.70 66.55 1yxx h VAL 151 Cb 0.72 0.83 -0.02 0.00 -1.52 0.00 0.00 31.29 31.30 1yxx h VAL 151 CO 0.06 0.37 0.26 -0.07 0.02 0.00 0.00 177.57 178.20 1yxx h LEU 152 N 0.83 0.50 -1.12 2.57 -0.00 -0.67 0.24 115.31 117.67 1yxx h LEU 152 Ca 0.17 -0.05 -0.00 0.00 -0.00 0.00 0.00 57.88 58.00 1yxx h LEU 152 Cb 0.46 -0.13 -0.04 0.00 -0.00 0.00 0.00 40.66 40.95 1yxx h LEU 152 CO 0.02 0.40 0.50 -0.33 -0.00 0.00 0.00 178.44 179.03 1yxx h GLU 153 N 0.56 1.10 -0.31 1.13 4.39 -1.20 -0.90 114.58 119.36 1yxx h GLU 153 Ca 0.15 -0.09 -0.06 0.00 0.34 0.00 0.00 59.36 59.70 1yxx h GLU 153 Cb -0.01 -0.24 -0.01 0.00 -0.10 0.00 0.00 28.75 28.39 1yxx h GLU 153 CO -0.03 0.76 -0.04 0.00 -1.16 0.00 0.00 179.01 178.55 1yxx h ALA 154 N 1.43 0.42 -0.27 3.43 0.00 -0.36 -1.56 119.26 122.35 1yxx h ALA 154 Ca 0.30 -0.26 -0.11 0.00 0.00 0.00 0.00 54.91 54.83 1yxx h ALA 154 Cb -0.06 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1yxx h ALA 154 CO -0.06 0.21 -0.29 0.28 0.00 0.00 0.00 179.25 179.40 1yxx h VAL 155 N 0.35 1.28 -0.49 0.00 2.07 -0.17 -1.95 116.25 117.34 1yxx h VAL 155 Ca 0.08 -1.36 -0.11 0.00 0.82 0.00 0.00 66.70 66.13 1yxx h VAL 155 Cb 0.51 1.39 -0.02 0.00 -1.52 0.00 0.00 31.29 31.65 1yxx h VAL 155 CO 0.02 0.43 -0.15 0.03 0.02 0.00 0.00 177.57 177.93 1yxx h ARG 156 N 0.47 0.93 -0.63 1.57 3.08 -1.09 -1.02 114.38 117.70 1yxx h ARG 156 Ca 0.06 -0.35 -0.09 0.00 0.07 0.00 0.00 59.98 59.67 1yxx h ARG 156 Cb 0.74 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.71 1yxx h ARG 156 CO 0.06 1.01 0.03 1.25 -1.07 0.00 0.00 179.97 181.25 1yxx h HIS 157 N 0.82 1.17 0.50 3.04 2.76 -0.93 -0.48 115.15 122.03 1yxx h HIS 157 Ca 0.12 -0.19 -0.01 0.00 -2.20 0.00 0.00 60.37 58.09 1yxx h HIS 157 Cb 0.69 -0.31 -0.01 0.00 1.55 0.00 0.00 27.41 29.33 1yxx h HIS 157 CO 0.04 1.02 -0.37 0.00 -1.30 0.00 0.00 177.93 177.32 1yxx h HIS 159 N -0.85 0.77 -0.24 0.00 -0.00 -0.97 -0.02 115.15 113.84 1yxx h HIS 159 Ca -0.05 0.02 -0.05 0.00 -0.00 0.00 0.00 60.37 60.29 1yxx h HIS 159 Cb 0.72 -0.25 -0.01 0.00 -0.00 0.00 0.00 27.41 27.86 1yxx h HIS 159 CO -0.15 0.41 -0.07 -0.91 -0.00 0.00 0.00 177.93 177.21 1yxx h ASN 160 N 0.76 0.36 -0.09 2.45 2.35 -0.84 -1.30 115.58 119.29 1yxx h ASN 160 Ca 0.31 -0.07 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 1yxx h ASN 160 Cb 0.25 -0.10 0.00 0.00 0.05 0.00 0.00 38.32 38.52 1yxx h ASN 160 CO -0.10 0.48 0.00 0.00 -1.65 0.00 0.00 177.43 176.16 1yxx n GLY 162 N 1.01 0.20 3.15 0.00 0.00 -0.49 -4.81 105.19 104.24 1yxx n GLY 162 Ca 0.16 -0.50 -0.29 0.00 0.00 0.00 0.00 46.02 45.39 1yxx n GLY 162 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1yxx s VAL 163 N -2.63 1.68 -0.21 1.61 1.01 -0.42 -1.22 120.40 120.22 1yxx s VAL 163 Ca 0.07 -0.81 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1yxx s VAL 163 Cb -0.03 -1.47 -0.03 0.00 0.00 0.00 0.00 36.38 34.85 1yxx s VAL 163 CO 0.09 0.48 0.03 -0.22 0.00 0.00 0.00 175.10 175.48 1yxx s LEU 164 N 0.36 3.38 0.06 3.92 2.96 -0.27 -2.65 118.68 126.45 1yxx s LEU 164 Ca -0.14 -0.17 -0.17 0.00 -0.22 0.00 0.00 54.13 53.43 1yxx s LEU 164 Cb -0.16 -1.87 -0.15 0.00 0.50 0.00 0.00 46.19 44.50 1yxx s LEU 164 CO 0.06 0.04 1.29 -0.74 -1.32 0.00 0.00 176.35 175.68 1yxx h HIS 165 N 7.64 0.73 0.00 5.38 -0.00 -1.94 -1.39 115.15 125.57 1yxx h HIS 165 Ca -0.37 -0.29 0.00 0.00 -0.00 0.00 0.00 60.37 59.71 1yxx h HIS 165 Cb 1.18 -0.13 0.00 0.00 -0.00 0.00 0.00 27.41 28.46 1yxx h HIS 165 CO 0.61 1.05 0.00 0.54 -0.00 0.00 0.00 177.93 180.13 1yxx n ARG 166 N -4.25 -1.71 -2.75 5.26 1.74 -1.26 -2.77 116.66 110.91 1yxx n ARG 166 Ca -0.07 0.43 -0.02 0.00 -0.77 0.00 0.00 57.85 57.42 1yxx n ARG 166 Cb 0.56 -4.72 0.09 0.00 -1.02 0.00 0.00 32.46 27.36 1yxx n ARG 166 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 1yxx n ASP 167 N -0.85 0.11 -4.68 0.55 2.03 -1.26 -4.43 116.55 108.01 1yxx n ASP 167 Ca 0.00 -2.17 -0.42 0.00 0.52 0.00 0.00 54.79 52.71 1yxx n ASP 167 Cb 0.43 0.09 -0.03 0.00 -0.72 0.00 0.00 41.12 40.88 1yxx n ASP 167 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1yxx s ILE 168 N -1.91 3.40 0.08 5.18 1.01 -1.26 -4.79 121.20 122.91 1yxx s ILE 168 Ca 0.19 0.75 -0.27 0.00 0.00 0.00 0.00 60.65 61.32 1yxx s ILE 168 Cb 0.39 -3.48 0.08 0.00 0.01 0.00 0.00 42.46 39.46 1yxx s ILE 168 CO -0.07 -0.02 1.01 -1.59 0.00 0.00 0.00 174.94 174.26 1yxx s LYS 169 N 2.91 0.97 0.32 2.79 -2.85 -1.26 -4.86 119.74 117.76 1yxx s LYS 169 Ca 0.70 -0.50 -0.00 0.00 -1.00 0.00 0.00 55.97 55.17 1yxx s LYS 169 Cb -0.35 0.35 0.52 0.00 -2.06 0.00 0.00 37.83 36.29 1yxx s LYS 169 CO 0.29 -0.44 1.97 0.38 0.10 0.00 0.00 175.35 177.65 1yxx h ASP 170 N 2.00 0.87 0.48 0.03 2.03 -1.94 -2.28 116.42 117.61 1yxx h ASP 170 Ca -0.24 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.04 1yxx h ASP 170 Cb 1.23 -0.21 0.00 0.00 -0.83 0.00 0.00 39.33 39.52 1yxx h ASP 170 CO 0.27 0.62 0.00 -0.33 -1.03 0.00 0.00 179.24 178.76 1yxx h GLU 171 N 1.02 0.00 -0.48 4.15 5.08 -1.95 -2.42 114.58 119.98 1yxx h GLU 171 Ca 0.30 0.00 -0.05 0.00 -1.00 0.00 0.00 59.36 58.61 1yxx h GLU 171 Cb -0.04 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.17 1yxx h GLU 171 CO -0.08 0.00 0.05 0.09 -1.00 0.00 0.00 179.01 178.07 1yxx n ASN 172 N -2.95 4.68 -4.09 1.42 3.02 -0.86 -4.86 115.26 111.62 1yxx n ASN 172 Ca -0.01 -3.08 -0.27 0.00 -0.03 0.00 0.00 54.58 51.19 1yxx n ASN 172 Cb 0.18 -0.64 -0.17 0.00 -0.61 0.00 0.00 39.78 38.54 1yxx n ASN 172 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1yxx s ILE 173 N -2.87 1.43 -0.06 2.41 1.01 -0.92 -0.48 121.20 121.72 1yxx s ILE 173 Ca 0.50 -0.65 -0.02 0.00 0.00 0.00 0.00 60.65 60.47 1yxx s ILE 173 Cb 0.39 -1.28 -0.04 0.00 0.01 0.00 0.00 42.46 41.55 1yxx s ILE 173 CO 0.12 0.42 0.05 -0.76 0.00 0.00 0.00 174.94 174.76 1yxx s LEU 174 N 0.56 3.79 -0.28 2.97 1.43 0.54 -0.77 118.68 126.92 1yxx s LEU 174 Ca -0.16 0.19 -0.07 0.00 -1.03 0.00 0.00 54.13 53.06 1yxx s LEU 174 Cb -0.16 -1.99 -0.00 0.00 0.03 0.00 0.00 46.19 44.06 1yxx s LEU 174 CO 0.05 0.35 0.08 -0.63 0.23 0.00 0.00 176.35 176.43 1yxx s ILE 175 N -1.00 4.07 -0.77 -0.59 1.01 0.16 -1.09 121.20 122.99 1yxx s ILE 175 Ca 0.16 -0.53 -0.26 0.00 0.00 0.00 0.00 60.65 60.02 1yxx s ILE 175 Cb -0.12 -3.04 0.03 0.00 0.01 0.00 0.00 42.46 39.35 1yxx s ILE 175 CO 0.06 0.16 1.33 -0.62 0.00 0.00 0.00 174.94 175.87 1yxx s ASP 176 N 1.54 6.16 0.39 3.58 -1.08 -0.07 -2.17 116.67 125.02 1yxx s ASP 176 Ca 0.04 -0.55 0.06 0.00 -0.52 0.00 0.00 52.55 51.58 1yxx s ASP 176 Cb -0.16 -2.56 0.79 0.00 -1.46 0.00 0.00 42.92 39.52 1yxx s ASP 176 CO 0.03 -1.83 2.03 -0.07 0.52 0.00 0.00 175.17 175.85 1yxx h LEU 177 N 13.18 0.53 -0.06 -1.34 3.38 -1.81 0.46 115.31 129.65 1yxx h LEU 177 Ca -0.22 -0.02 -0.03 0.00 0.09 0.00 0.00 57.88 57.70 1yxx h LEU 177 Cb 1.05 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 41.67 1yxx h LEU 177 CO 1.30 0.40 -0.09 0.78 0.09 0.00 0.00 178.44 180.92 1yxx h ASN 178 N 0.61 0.19 0.38 -0.43 2.35 -1.90 -3.32 115.58 113.46 1yxx h ASN 178 Ca 0.16 -0.53 0.00 0.00 -0.55 0.00 0.00 56.30 55.38 1yxx h ASN 178 Cb -0.03 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.29 1yxx h ASN 178 CO -0.03 0.68 -0.34 0.54 -1.65 0.00 0.00 177.43 176.63 1yxx n ARG 179 N -4.68 0.46 -1.88 0.81 1.74 -1.15 -4.85 116.66 107.10 1yxx n ARG 179 Ca -0.08 -0.26 -0.16 0.00 -0.77 0.00 0.00 57.85 56.59 1yxx n ARG 179 Cb 0.33 -1.49 -0.04 0.00 -1.02 0.00 0.00 32.46 30.24 1yxx n ARG 179 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1yxx n GLY 180 N 1.41 0.64 3.61 -0.13 0.00 0.14 -2.99 105.19 107.87 1yxx n GLY 180 Ca 0.09 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.52 1yxx n GLY 180 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1yxx s GLU 181 N -4.07 3.69 0.23 1.61 2.02 -1.14 -4.62 118.70 116.43 1yxx s GLU 181 Ca 0.00 -0.40 -0.06 0.00 0.02 0.00 0.00 54.97 54.53 1yxx s GLU 181 Cb 0.00 -3.04 -0.06 0.00 0.10 0.00 0.00 34.13 31.13 1yxx s GLU 181 CO 0.00 0.36 0.50 -0.51 0.02 0.00 0.00 175.26 175.63 1yxx s LEU 182 N 0.09 4.15 -0.03 1.80 1.02 -1.26 -0.89 118.68 123.56 1yxx s LEU 182 Ca 0.03 0.71 0.00 0.00 0.02 0.00 0.00 54.13 54.89 1yxx s LEU 182 Cb -0.13 -3.49 0.03 0.00 0.02 0.00 0.00 46.19 42.62 1yxx s LEU 182 CO 0.01 -0.09 0.01 -0.54 0.02 0.00 0.00 176.35 175.76 1yxx s LYS 183 N -3.14 0.28 -0.12 1.70 1.02 -0.25 -4.35 119.74 114.88 1yxx s LYS 183 Ca 0.44 0.10 -0.24 0.00 0.02 0.00 0.00 55.97 56.29 1yxx s LYS 183 Cb -0.11 -0.50 -0.03 0.00 -0.52 0.00 0.00 37.83 36.67 1yxx s LYS 183 CO 0.26 -0.16 0.75 -1.17 -0.92 0.00 0.00 175.35 174.12 1yxx s LEU 184 N 1.15 4.24 0.44 3.17 2.96 -0.71 -0.34 118.68 129.59 1yxx s LEU 184 Ca -0.08 1.16 0.05 0.00 -0.22 0.00 0.00 54.13 55.04 1yxx s LEU 184 Cb -0.13 -3.14 -0.05 0.00 0.50 0.00 0.00 46.19 43.37 1yxx s LEU 184 CO -0.02 -0.25 0.04 0.27 -1.32 0.00 0.00 176.35 175.07 1yxx s ILE 185 N 1.47 1.81 -0.33 6.68 -4.36 0.37 -2.28 121.20 124.56 1yxx s ILE 185 Ca 0.37 -1.94 -0.09 0.00 -0.26 0.00 0.00 60.65 58.74 1yxx s ILE 185 Cb -0.17 -2.75 0.01 0.00 1.25 0.00 0.00 42.46 40.80 1yxx s ILE 185 CO 0.15 0.00 0.32 -0.67 0.24 0.00 0.00 174.94 174.98 1yxx n ASP 186 N -1.11 -7.12 -1.64 4.36 -0.08 -1.26 -4.80 116.55 104.90 1yxx n ASP 186 Ca -0.08 0.75 -0.04 0.00 -1.51 0.00 0.00 54.79 53.91 1yxx n ASP 186 Cb 0.67 -4.74 0.21 0.00 2.34 0.00 0.00 41.12 39.60 1yxx n ASP 186 CO 0.00 0.00 0.00 0.49 0.12 0.00 0.00 177.20 177.81 1yxx n PHE 187 N 0.02 1.75 1.49 -0.67 3.01 -1.26 -4.48 117.46 117.32 1yxx n PHE 187 Ca 0.06 -0.91 0.13 0.00 1.01 0.00 0.00 57.45 57.75 1yxx n PHE 187 Cb 0.24 -0.54 0.74 0.00 -0.01 0.00 0.00 39.48 39.91 1yxx n PHE 187 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 1yxx n GLY 188 N -0.03 -1.00 0.01 1.37 0.00 -1.26 -2.45 105.19 101.82 1yxx n GLY 188 Ca 0.29 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1yxx n GLY 188 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1yxx n SER 189 N -1.14 1.42 -2.61 1.61 7.64 -1.26 -4.92 113.62 114.36 1yxx n SER 189 Ca 0.17 -1.41 -0.08 0.00 1.01 0.00 0.00 58.87 58.56 1yxx n SER 189 Cb 0.15 -0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.41 1yxx n SER 189 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1yxx n GLY 190 N -0.19 -1.73 3.57 0.23 0.00 -1.03 -4.65 105.19 101.38 1yxx n GLY 190 Ca 0.00 -1.60 -0.07 0.00 0.00 0.00 0.00 46.02 44.36 1yxx n GLY 190 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1yxx s ALA 191 N -3.61 -1.79 0.25 4.61 0.00 -0.53 -4.96 121.76 115.74 1yxx s ALA 191 Ca 0.19 0.79 -0.31 0.00 0.00 0.00 0.00 51.96 52.64 1yxx s ALA 191 Cb -0.01 0.47 -0.12 0.00 0.00 0.00 0.00 23.12 23.47 1yxx s ALA 191 CO 0.14 -0.78 1.65 -0.51 0.00 0.00 0.00 175.76 176.26 1yxx s LEU 192 N -2.60 4.36 0.35 0.00 1.43 -1.26 -1.11 118.68 119.84 1yxx s LEU 192 Ca 0.07 2.91 -0.29 0.00 -1.03 0.00 0.00 54.13 55.79 1yxx s LEU 192 Cb -0.01 -3.62 -0.11 0.00 0.03 0.00 0.00 46.19 42.48 1yxx s LEU 192 CO -0.06 -0.94 1.51 -0.22 0.23 0.00 0.00 176.35 176.87 1yxx s LEU 193 N 0.23 4.33 0.06 1.79 2.96 -0.36 -4.66 118.68 123.03 1yxx s LEU 193 Ca 0.68 3.02 -0.12 0.00 -0.22 0.00 0.00 54.13 57.49 1yxx s LEU 193 Cb -0.48 -3.66 0.01 0.00 0.50 0.00 0.00 46.19 42.56 1yxx s LEU 193 CO 0.41 -0.88 0.27 -1.59 -1.32 0.00 0.00 176.35 173.23 1yxx s LYS 194 N -1.68 0.83 0.00 1.98 -2.85 -1.26 -4.90 119.74 111.87 1yxx s LYS 194 Ca 0.55 -0.67 0.26 0.00 -1.00 0.00 0.00 55.97 55.11 1yxx s LYS 194 Cb -0.47 0.35 0.66 0.00 -2.06 0.00 0.00 37.83 36.32 1yxx s LYS 194 CO 0.59 -0.27 1.51 -0.25 0.10 0.00 0.00 175.35 177.03 1yxx n ASP 195 N 0.33 0.73 -4.71 0.03 8.00 -1.26 -4.54 116.55 115.13 1yxx n ASP 195 Ca -0.17 -0.55 -0.23 0.00 0.71 0.00 0.00 54.79 54.55 1yxx n ASP 195 Cb 0.61 0.17 0.10 0.00 -0.02 0.00 0.00 41.12 41.98 1yxx n ASP 195 CO 0.00 0.00 0.00 0.42 -0.39 0.00 0.00 177.20 177.23 1yxx s THR 196 N -2.75 2.12 0.23 -3.53 -4.23 -1.26 -5.00 115.64 101.22 1yxx s THR 196 Ca 0.18 -0.64 -0.25 0.00 -1.18 0.00 0.00 61.69 59.80 1yxx s THR 196 Cb 0.18 -2.48 -0.09 0.00 1.34 0.00 0.00 72.50 71.45 1yxx s THR 196 CO 0.61 0.00 0.84 0.54 -0.54 0.00 0.00 174.62 176.06 1yxx s VAL 197 N -3.10 4.31 -0.19 2.29 0.11 -1.26 -4.63 120.40 117.92 1yxx s VAL 197 Ca 0.66 1.74 -0.14 0.00 -2.93 0.00 0.00 61.98 61.31 1yxx s VAL 197 Cb -0.05 -4.10 -0.04 0.00 -1.53 0.00 0.00 36.38 30.65 1yxx s VAL 197 CO 0.44 0.38 0.29 -0.31 -3.33 0.00 0.00 175.10 172.57 1yxx s TYR 198 N -1.32 3.40 -1.76 1.54 1.51 0.15 -4.96 117.35 115.90 1yxx s TYR 198 Ca 0.41 0.51 0.15 0.00 -1.01 0.00 0.00 57.07 57.13 1yxx s TYR 198 Cb -0.22 -2.38 0.19 0.00 -0.11 0.00 0.00 41.96 39.44 1yxx s TYR 198 CO 0.26 0.12 1.06 0.25 -1.11 0.00 0.00 175.55 176.14 1yxx n THR 199 N 3.97 0.22 -4.42 -0.71 -2.24 -1.26 -2.34 114.28 107.49 1yxx n THR 199 Ca -0.12 -0.61 -0.27 0.00 -2.27 0.00 0.00 64.05 60.79 1yxx n THR 199 Cb 0.52 1.14 -0.12 0.00 -2.10 0.00 0.00 70.33 69.77 1yxx n THR 199 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 1yxx s ASP 200 N -1.21 3.47 -0.29 3.42 1.47 -1.26 -4.86 116.67 117.41 1yxx s ASP 200 Ca 0.21 -0.88 -0.16 0.00 1.18 0.00 0.00 52.55 52.90 1yxx s ASP 200 Cb 0.13 -0.27 0.17 0.00 -0.34 0.00 0.00 42.92 42.62 1yxx s ASP 200 CO 0.20 0.11 1.08 0.12 0.68 0.00 0.00 175.17 177.36 1yxx s PHE 201 N -1.75 -0.42 -0.29 2.11 5.36 -1.26 -5.02 117.98 116.71 1yxx s PHE 201 Ca 0.22 0.81 0.19 0.00 -0.96 0.00 0.00 56.93 57.18 1yxx s PHE 201 Cb -0.08 0.25 0.49 0.00 -0.34 0.00 0.00 43.02 43.34 1yxx s PHE 201 CO 0.10 -0.21 1.07 -3.47 -1.46 0.00 0.00 175.22 171.26 1yxx n ASP 202 N 3.88 1.99 0.00 6.13 2.03 -1.26 -5.07 116.55 124.25 1yxx n ASP 202 Ca -0.15 -2.45 0.00 0.00 0.52 0.00 0.00 54.79 52.71 1yxx n ASP 202 Cb 0.56 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.48 1yxx n ASP 202 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1yxx n GLY 203 N -0.45 1.98 3.67 0.27 0.00 -1.26 -4.80 105.19 104.59 1yxx n GLY 203 Ca 0.12 -1.97 -0.40 0.00 0.00 0.00 0.00 46.02 43.78 1yxx n GLY 203 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1yxx s THR 204 N 2.49 5.05 0.24 2.61 2.01 -1.26 -4.97 115.64 121.81 1yxx s THR 204 Ca 0.00 1.13 -0.06 0.00 0.31 0.00 0.00 61.69 63.07 1yxx s THR 204 Cb 0.00 -3.92 0.24 0.00 0.01 0.00 0.00 72.50 68.83 1yxx s THR 204 CO 0.00 0.15 1.90 -0.09 -0.69 0.00 0.00 174.62 175.89 1yxx h ARG 205 N 7.38 1.30 0.00 4.92 2.43 -1.97 -2.18 114.38 126.27 1yxx h ARG 205 Ca -0.33 -0.11 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 1yxx h ARG 205 Cb 1.15 -0.28 0.00 0.00 -0.42 0.00 0.00 29.97 30.42 1yxx h ARG 205 CO 0.76 0.90 0.00 1.33 -1.51 0.00 0.00 179.97 181.45 1yxx n VAL 206 N -4.36 1.02 0.57 0.20 0.24 -1.26 -1.50 118.33 113.24 1yxx n VAL 206 Ca 0.11 0.25 0.07 0.00 -2.04 0.00 0.00 64.34 62.73 1yxx n VAL 206 Cb 0.05 -1.02 0.06 0.00 -1.47 0.00 0.00 33.84 31.45 1yxx n VAL 206 CO 0.00 0.00 0.00 -1.22 -2.14 0.00 0.00 176.83 173.47 1yxx n TYR 207 N -1.48 0.00 -3.05 6.34 4.02 -0.85 -4.81 117.16 117.33 1yxx n TYR 207 Ca 0.04 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.59 1yxx n TYR 207 Cb 0.16 0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.41 1yxx n TYR 207 CO 0.00 0.00 0.00 -1.54 -1.01 0.00 0.00 176.86 174.31 1yxx s SER 208 N -1.16 6.90 0.53 7.72 1.04 -0.56 -3.99 113.70 124.18 1yxx s SER 208 Ca 0.16 1.42 -0.09 0.00 0.48 0.00 0.00 55.95 57.93 1yxx s SER 208 Cb 0.11 -2.43 -0.04 0.00 0.10 0.00 0.00 66.02 63.76 1yxx s SER 208 CO 0.17 -0.17 0.89 -2.16 0.98 0.00 0.00 173.24 172.95 1yxx s PRO 209 N -2.74 3.62 0.44 4.02 0.04 -1.26 -4.88 135.00 134.23 1yxx s PRO 209 Ca 0.53 0.48 0.13 0.00 0.04 0.00 0.00 61.00 62.18 1yxx s PRO 209 Cb -0.12 -2.25 1.03 0.00 0.04 0.00 0.00 34.50 33.20 1yxx s PRO 209 CO 0.18 -0.32 2.01 -1.00 0.04 0.00 0.00 177.00 177.90 1yxx h PRO 210 N 0.19 0.38 0.00 0.56 0.13 -1.89 0.19 132.00 131.56 1yxx h PRO 210 Ca -0.46 -0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.59 1yxx h PRO 210 Cb 1.20 -0.09 -0.01 0.00 0.13 0.00 0.00 31.00 32.23 1yxx h PRO 210 CO 0.62 0.25 -0.27 1.05 -0.23 0.00 0.00 178.00 179.42 1yxx h GLU 211 N 0.39 0.00 -0.02 0.86 9.09 -1.86 -0.83 114.58 122.22 1yxx h GLU 211 Ca 0.23 0.00 -0.12 0.00 0.05 0.00 0.00 59.36 59.52 1yxx h GLU 211 Cb 0.40 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.51 1yxx h GLU 211 CO -0.06 0.27 -0.45 2.35 0.05 0.00 0.00 179.01 181.18 1yxx h TRP 212 N 0.00 0.49 -0.35 2.06 2.91 -0.60 -2.26 115.95 118.20 1yxx h TRP 212 Ca -0.00 -0.25 0.01 0.00 1.13 0.00 0.00 58.89 59.78 1yxx h TRP 212 Cb 0.53 -0.06 -0.02 0.00 -0.51 0.00 0.00 29.16 29.10 1yxx h TRP 212 CO 0.00 1.05 0.22 0.82 -1.03 0.00 0.00 178.44 179.49 1yxx h ILE 213 N -0.21 1.06 0.00 2.65 1.08 -1.09 -0.64 117.51 120.36 1yxx h ILE 213 Ca -0.05 -0.15 -0.14 0.00 -0.39 0.00 0.00 64.86 64.13 1yxx h ILE 213 Cb 1.15 0.58 -0.02 0.00 -3.07 0.00 0.00 36.82 35.46 1yxx h ILE 213 CO 0.09 0.08 -0.99 0.03 -0.69 0.00 0.00 178.15 176.67 1yxx h ARG 214 N 0.44 0.00 0.00 2.37 3.08 -1.28 -3.41 114.38 115.58 1yxx h ARG 214 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.18 1yxx h ARG 214 Cb -0.03 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.02 1yxx h ARG 214 CO -0.05 0.42 0.00 0.66 -1.07 0.00 0.00 179.97 179.93 1yxx n TYR 215 N -3.06 0.00 -3.82 3.04 4.01 -0.86 -5.03 117.16 111.44 1yxx n TYR 215 Ca -0.04 0.00 -0.28 0.00 -0.16 0.00 0.00 57.90 57.42 1yxx n TYR 215 Cb 0.80 0.00 0.04 0.00 -0.31 0.00 0.00 39.34 39.87 1yxx n TYR 215 CO 0.00 0.00 0.00 0.72 -0.46 0.00 0.00 176.86 177.12 1yxx n HIS 216 N -0.18 -2.48 -3.79 -0.72 8.25 -0.25 -4.98 115.22 111.09 1yxx n HIS 216 Ca 0.00 0.94 -0.13 0.00 -0.26 0.00 0.00 57.72 58.27 1yxx n HIS 216 Cb 0.07 -4.31 -0.13 0.00 1.12 0.00 0.00 29.99 26.75 1yxx n HIS 216 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 1yxx s ARG 217 N -6.52 0.19 0.17 -0.41 0.52 -1.20 -4.39 118.95 107.31 1yxx s ARG 217 Ca 0.63 0.31 -0.23 0.00 -0.52 0.00 0.00 55.73 55.92 1yxx s ARG 217 Cb -0.30 0.02 0.07 0.00 0.52 0.00 0.00 34.95 35.25 1yxx s ARG 217 CO 0.80 -0.07 0.62 1.52 0.02 0.00 0.00 175.30 178.19 1yxx s TYR 218 N 0.47 -0.50 0.03 -0.53 1.13 -0.99 -3.23 117.35 113.72 1yxx s TYR 218 Ca -0.03 0.27 0.03 0.00 -1.41 0.00 0.00 57.07 55.92 1yxx s TYR 218 Cb -0.04 0.57 -0.04 0.00 -1.10 0.00 0.00 41.96 41.35 1yxx s TYR 218 CO -0.02 -0.88 -0.00 -1.01 -2.51 0.00 0.00 175.55 171.13 1yxx s HIS 219 N -3.75 3.05 0.12 -3.49 3.76 -1.26 -0.68 115.29 113.04 1yxx s HIS 219 Ca 0.02 0.04 -0.30 0.00 -0.15 0.00 0.00 55.06 54.67 1yxx s HIS 219 Cb -0.01 -1.63 -0.08 0.00 1.11 0.00 0.00 32.58 31.97 1yxx s HIS 219 CO -0.11 0.46 1.58 0.78 -0.85 0.00 0.00 174.74 176.61 1yxx h GLY 220 N 4.06 -0.78 0.99 -2.22 0.00 -1.82 -1.78 103.07 101.52 1yxx h GLY 220 Ca -0.48 0.52 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 1yxx h GLY 220 CO 0.58 -0.24 -0.08 3.21 0.00 0.00 0.00 176.54 180.01 1yxx h ARG 221 N -0.57 -0.21 0.00 4.80 3.08 -1.97 -0.64 114.38 118.87 1yxx h ARG 221 Ca 0.05 0.01 -0.08 0.00 0.07 0.00 0.00 59.98 60.03 1yxx h ARG 221 Cb 0.65 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.74 1yxx h ARG 221 CO -0.33 -0.13 -0.39 0.66 -1.07 0.00 0.00 179.97 178.71 1yxx h SER 222 N -0.23 0.00 -0.24 7.04 4.64 -1.90 -0.30 113.55 122.56 1yxx h SER 222 Ca -0.02 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.24 1yxx h SER 222 Cb 0.18 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.26 1yxx h SER 222 CO 0.04 0.39 -0.08 0.00 -0.87 0.00 0.00 176.83 176.30 1yxx h ALA 223 N 1.61 0.33 -0.33 5.18 0.00 -1.03 -1.32 119.26 123.70 1yxx h ALA 223 Ca -0.00 -0.28 0.06 0.00 0.00 0.00 0.00 54.91 54.68 1yxx h ALA 223 Cb 0.69 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.35 1yxx h ALA 223 CO 0.05 0.15 0.00 0.00 0.00 0.00 0.00 179.25 179.46 1yxx h ALA 224 N 0.74 0.30 -0.60 0.00 0.00 -0.44 -1.91 119.26 117.35 1yxx h ALA 224 Ca 0.06 0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 1yxx h ALA 224 Cb 0.56 0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 1yxx h ALA 224 CO 0.03 -0.40 0.31 0.28 0.00 0.00 0.00 179.25 179.47 1yxx h VAL 225 N 0.10 1.19 -0.15 0.00 2.07 -0.99 -0.16 116.25 118.30 1yxx h VAL 225 Ca 0.16 -0.49 -0.00 0.00 0.82 0.00 0.00 66.70 67.19 1yxx h VAL 225 Cb 0.22 0.40 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1yxx h VAL 225 CO -0.27 0.21 0.09 -0.25 0.02 0.00 0.00 177.57 177.37 1yxx h TRP 226 N 0.83 0.21 -0.08 1.57 2.91 -0.58 -1.75 115.95 119.06 1yxx h TRP 226 Ca 0.21 -0.00 -0.05 0.00 1.13 0.00 0.00 58.89 60.17 1yxx h TRP 226 Cb 0.05 -0.07 -0.01 0.00 -0.51 0.00 0.00 29.16 28.62 1yxx h TRP 226 CO 0.01 0.19 -0.20 0.66 -1.03 0.00 0.00 178.44 178.07 1yxx h SER 227 N 0.16 0.13 -0.20 2.65 4.64 -0.75 -2.14 113.55 118.04 1yxx h SER 227 Ca 0.05 -0.03 -0.09 0.00 -0.47 0.00 0.00 61.79 61.25 1yxx h SER 227 Cb 0.05 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.10 1yxx h SER 227 CO -0.01 0.34 -0.18 -0.07 -0.87 0.00 0.00 176.83 176.04 1yxx h LEU 228 N 0.12 0.62 -0.77 5.97 3.38 -0.76 0.32 115.31 124.20 1yxx h LEU 228 Ca 0.02 -0.19 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1yxx h LEU 228 Cb 0.42 -0.17 -0.03 0.00 0.09 0.00 0.00 40.66 40.97 1yxx h LEU 228 CO 0.03 0.81 0.26 1.23 0.09 0.00 0.00 178.44 180.86 1yxx h GLY 229 N 0.98 1.26 1.06 0.83 0.00 -0.74 -0.80 103.07 105.66 1yxx h GLY 229 Ca 0.09 -0.73 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 1yxx h GLY 229 CO 0.04 0.68 0.15 -2.22 0.00 0.00 0.00 176.54 175.20 1yxx h ILE 230 N 1.13 1.26 -0.59 2.60 1.08 -0.79 -1.77 117.51 120.43 1yxx h ILE 230 Ca 0.25 -0.98 -0.07 0.00 -0.39 0.00 0.00 64.86 63.67 1yxx h ILE 230 Cb 0.28 0.59 -0.02 0.00 -3.07 0.00 0.00 36.82 34.59 1yxx h ILE 230 CO -0.01 0.37 0.10 0.25 -0.69 0.00 0.00 178.15 178.17 1yxx h LEU 231 N 1.03 0.94 -0.24 1.44 5.85 -0.65 -0.83 115.31 122.84 1yxx h LEU 231 Ca 0.21 -0.26 -0.04 0.00 0.84 0.00 0.00 57.88 58.63 1yxx h LEU 231 Cb 0.39 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.16 1yxx h LEU 231 CO 0.00 0.96 0.01 0.25 -0.34 0.00 0.00 178.44 179.32 1yxx h LEU 232 N 0.88 0.41 -0.57 2.25 5.85 -0.97 -0.60 115.31 122.55 1yxx h LEU 232 Ca 0.18 -0.30 0.07 0.00 0.84 0.00 0.00 57.88 58.67 1yxx h LEU 232 Cb 0.42 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.28 1yxx h LEU 232 CO 0.01 0.61 0.26 0.22 -0.34 0.00 0.00 178.44 179.20 1yxx h TYR 233 N 0.20 0.46 -0.85 1.25 5.03 -1.24 -1.59 116.97 120.24 1yxx h TYR 233 Ca 0.07 0.03 0.07 0.00 2.58 0.00 0.00 58.73 61.47 1yxx h TYR 233 Cb 0.40 -0.12 -0.06 0.00 1.55 0.00 0.00 36.73 38.49 1yxx h TYR 233 CO 0.03 0.18 0.52 0.22 -1.32 0.00 0.00 178.16 177.79 1yxx h ASP 234 N 0.48 0.80 -0.05 -2.11 3.58 -0.75 -0.41 116.42 117.97 1yxx h ASP 234 Ca 0.27 0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.73 1yxx h ASP 234 Cb 0.25 -0.14 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 1yxx h ASP 234 CO -0.23 0.50 -0.00 0.24 -2.88 0.00 0.00 179.24 176.87 1yxx h MET 235 N 0.93 0.09 0.00 0.28 2.86 -0.21 0.35 114.93 119.22 1yxx h MET 235 Ca 0.38 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.99 1yxx h MET 235 Cb 0.21 -0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.86 1yxx h MET 235 CO -0.19 0.39 -0.25 -0.39 1.06 0.00 0.00 176.91 177.54 1yxx h VAL 236 N -0.22 0.00 0.00 -2.22 -1.51 -1.17 -0.67 116.25 110.46 1yxx h VAL 236 Ca 0.01 -0.70 0.00 0.00 -1.23 0.00 0.00 66.70 64.78 1yxx h VAL 236 Cb 0.35 1.55 0.00 0.00 -2.13 0.00 0.00 31.29 31.07 1yxx h VAL 236 CO 0.00 0.00 -0.77 0.00 -1.23 0.00 0.00 177.57 175.57 1yxx n GLY 238 N 1.48 0.64 3.51 0.00 0.00 0.10 -4.56 105.19 106.36 1yxx n GLY 238 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 1yxx n GLY 238 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1yxx s ASP 239 N -2.15 -0.42 0.68 1.61 1.01 -1.15 -4.77 116.67 111.49 1yxx s ASP 239 Ca 0.00 0.15 -0.14 0.00 0.71 0.00 0.00 52.55 53.27 1yxx s ASP 239 Cb 0.00 0.40 0.01 0.00 1.01 0.00 0.00 42.92 44.35 1yxx s ASP 239 CO 0.00 -0.60 1.12 0.27 0.21 0.00 0.00 175.17 176.17 1yxx s ILE 240 N -2.58 3.13 0.10 0.77 -4.36 -1.26 -3.80 121.20 113.20 1yxx s ILE 240 Ca 0.02 0.51 0.02 0.00 -0.26 0.00 0.00 60.65 60.93 1yxx s ILE 240 Cb -0.01 -3.02 -0.24 0.00 1.25 0.00 0.00 42.46 40.44 1yxx s ILE 240 CO -0.05 -0.34 1.21 1.55 0.24 0.00 0.00 174.94 177.54 1yxx h PRO 241 N -0.17 0.12 -5.33 0.37 0.13 -1.92 -3.46 132.00 121.74 1yxx h PRO 241 Ca -0.46 -0.20 -0.67 0.00 -0.87 0.00 0.00 66.00 63.79 1yxx h PRO 241 Cb 1.25 0.08 -0.31 0.00 0.13 0.00 0.00 31.00 32.14 1yxx h PRO 241 CO 0.53 1.09 -0.85 -0.06 -0.23 0.00 0.00 178.00 178.48 1yxx s PHE 242 N -2.68 2.63 -0.11 1.56 0.08 -1.26 -4.96 117.98 113.23 1yxx s PHE 242 Ca -0.01 -0.95 0.06 0.00 0.12 0.00 0.00 56.93 56.16 1yxx s PHE 242 Cb 0.09 -1.75 -0.11 0.00 -0.57 0.00 0.00 43.02 40.68 1yxx s PHE 242 CO 0.85 -0.37 -0.02 0.39 -0.10 0.00 0.00 175.22 175.97 1yxx n GLU 243 N 3.53 1.65 -4.15 0.44 -0.58 -1.26 -4.87 120.64 115.40 1yxx n GLU 243 Ca -0.19 0.02 -0.26 0.00 -0.42 0.00 0.00 57.16 56.32 1yxx n GLU 243 Cb 0.53 -1.26 -0.06 0.00 -0.57 0.00 0.00 31.44 30.07 1yxx n GLU 243 CO 0.00 0.00 0.00 -1.01 -0.48 0.00 0.00 177.13 175.64 1yxx s HIS 244 N -2.25 3.00 0.25 -0.32 3.76 -1.26 -4.90 115.29 113.57 1yxx s HIS 244 Ca -0.09 -0.09 -0.04 0.00 -0.15 0.00 0.00 55.06 54.69 1yxx s HIS 244 Cb 0.04 -1.43 0.46 0.00 1.11 0.00 0.00 32.58 32.76 1yxx s HIS 244 CO 0.38 0.53 1.74 -0.44 -0.85 0.00 0.00 174.74 176.09 1yxx h ASP 245 N 2.38 0.32 -0.72 1.40 5.19 -1.97 -1.43 116.42 121.60 1yxx h ASP 245 Ca -0.47 0.10 0.13 0.00 -0.62 0.00 0.00 57.03 56.17 1yxx h ASP 245 Cb 1.21 0.07 -0.09 0.00 0.18 0.00 0.00 39.33 40.70 1yxx h ASP 245 CO 0.61 0.12 0.28 -0.33 -3.12 0.00 0.00 179.24 176.80 1yxx h GLU 246 N 0.47 0.43 -0.38 3.56 3.07 -1.99 -2.05 114.58 117.69 1yxx h GLU 246 Ca 0.42 -0.03 -0.14 0.00 -0.50 0.00 0.00 59.36 59.11 1yxx h GLU 246 Cb 0.62 -0.10 -0.01 0.00 -0.84 0.00 0.00 28.75 28.42 1yxx h GLU 246 CO -0.39 0.28 -0.33 0.93 -1.40 0.00 0.00 179.01 178.10 1yxx h GLU 247 N 0.44 0.85 -0.21 2.33 5.08 -1.68 -2.21 114.58 119.17 1yxx h GLU 247 Ca 0.38 -0.41 -0.01 0.00 -1.00 0.00 0.00 59.36 58.32 1yxx h GLU 247 Cb 0.55 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1yxx h GLU 247 CO -0.37 1.05 0.08 0.82 -1.00 0.00 0.00 179.01 179.58 1yxx h ILE 248 N 0.71 1.17 -0.03 3.13 2.04 -1.02 -1.45 117.51 122.06 1yxx h ILE 248 Ca 0.07 -0.53 -0.10 0.00 1.00 0.00 0.00 64.86 65.30 1yxx h ILE 248 Cb 0.89 1.13 -0.01 0.00 -0.74 0.00 0.00 36.82 38.08 1yxx h ILE 248 CO 0.08 0.17 -0.44 0.40 0.00 0.00 0.00 178.15 178.36 1yxx h ILE 249 N 0.19 1.32 -0.17 -0.67 2.04 -1.36 -2.52 117.51 116.34 1yxx h ILE 249 Ca 0.07 -1.54 -0.19 0.00 1.00 0.00 0.00 64.86 64.20 1yxx h ILE 249 Cb 0.19 1.79 0.00 0.00 -0.74 0.00 0.00 36.82 38.06 1yxx h ILE 249 CO -0.00 0.44 -0.67 -0.09 0.00 0.00 0.00 178.15 177.83 1yxx h ARG 250 N 0.06 0.67 -2.28 2.37 2.43 -1.29 -3.48 114.38 112.86 1yxx h ARG 250 Ca 0.00 -0.49 -0.37 0.00 -0.81 0.00 0.00 59.98 58.31 1yxx h ARG 250 Cb 0.80 0.09 -0.05 0.00 -0.42 0.00 0.00 29.97 30.39 1yxx h ARG 250 CO 0.06 1.11 -0.45 0.41 -1.51 0.00 0.00 179.97 179.59 1yxx n GLY 251 N 0.51 0.06 3.62 2.80 0.00 -0.56 -4.99 105.19 106.63 1yxx n GLY 251 Ca -0.05 -0.11 -0.41 0.00 0.00 0.00 0.00 46.02 45.45 1yxx n GLY 251 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1yxx s GLN 252 N -4.64 4.04 -0.27 1.61 2.00 -1.26 -4.94 119.66 116.20 1yxx s GLN 252 Ca 0.00 0.44 -0.14 0.00 -2.00 0.00 0.00 55.36 53.66 1yxx s GLN 252 Cb 0.00 -3.67 -0.04 0.00 0.80 0.00 0.00 33.01 30.10 1yxx s GLN 252 CO 0.00 -0.45 0.31 0.08 -0.50 0.00 0.00 175.29 174.73 1yxx s VAL 253 N 2.50 5.22 -0.18 1.34 1.01 -1.26 -5.03 120.40 124.00 1yxx s VAL 253 Ca 0.25 0.44 -0.03 0.00 0.00 0.00 0.00 61.98 62.64 1yxx s VAL 253 Cb -0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.57 1yxx s VAL 253 CO 0.09 0.20 -0.07 0.12 0.00 0.00 0.00 175.10 175.44 1yxx s PHE 254 N 1.91 2.93 -0.26 5.22 5.36 -1.26 -5.09 117.98 126.80 1yxx s PHE 254 Ca 0.12 -0.69 -0.18 0.00 -0.96 0.00 0.00 56.93 55.22 1yxx s PHE 254 Cb -0.16 -1.99 -0.03 0.00 -0.34 0.00 0.00 43.02 40.50 1yxx s PHE 254 CO 0.10 -0.32 0.53 -0.06 -1.46 0.00 0.00 175.22 174.01 1yxx s PHE 255 N 0.87 3.27 -0.36 10.12 0.08 -1.26 -4.92 117.98 125.78 1yxx s PHE 255 Ca -0.02 0.66 0.23 0.00 0.12 0.00 0.00 56.93 57.93 1yxx s PHE 255 Cb -0.15 -2.73 0.11 0.00 -0.57 0.00 0.00 43.02 39.67 1yxx s PHE 255 CO 0.01 -0.28 1.14 0.07 -0.10 0.00 0.00 175.22 176.06 1yxx h ARG 256 N 7.99 0.00 -6.15 0.44 0.11 -1.98 -3.47 114.38 111.32 1yxx h ARG 256 Ca -0.29 0.00 -0.58 0.00 0.10 0.00 0.00 59.98 59.21 1yxx h ARG 256 Cb 1.14 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 32.10 1yxx h ARG 256 CO 0.72 0.00 -0.68 -0.65 0.10 0.00 0.00 179.97 179.46 1yxx s GLN 257 N -3.30 2.01 -0.01 0.08 -1.52 -1.26 -5.09 119.66 110.57 1yxx s GLN 257 Ca 0.02 -1.64 -0.30 0.00 -1.95 0.00 0.00 55.36 51.49 1yxx s GLN 257 Cb 0.10 -1.95 -0.06 0.00 -0.22 0.00 0.00 33.01 30.89 1yxx s GLN 257 CO 0.77 0.29 1.52 0.50 -0.25 0.00 0.00 175.29 178.11 1yxx s ARG 258 N -3.63 4.23 -0.01 2.91 3.00 -1.26 -4.99 118.95 119.21 1yxx s ARG 258 Ca 0.32 2.09 0.00 0.00 -1.00 0.00 0.00 55.73 57.14 1yxx s ARG 258 Cb -0.04 -3.71 0.01 0.00 0.00 0.00 0.00 34.95 31.21 1yxx s ARG 258 CO 0.18 -0.70 -0.01 0.08 0.00 0.00 0.00 175.30 174.85 1yxx s VAL 259 N 3.01 0.13 0.67 7.11 1.01 -1.26 -5.01 120.40 126.07 1yxx s VAL 259 Ca 0.68 0.00 -0.17 0.00 0.00 0.00 0.00 61.98 62.50 1yxx s VAL 259 Cb -0.33 -0.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.87 1yxx s VAL 259 CO 0.28 0.08 0.99 -1.54 0.00 0.00 0.00 175.10 174.91 1yxx n SER 260 N 3.49 0.72 0.22 3.32 3.41 -1.26 -4.75 113.62 118.77 1yxx n SER 260 Ca -0.19 0.73 0.05 0.00 -0.26 0.00 0.00 58.87 59.21 1yxx n SER 260 Cb 0.56 -1.41 0.48 0.00 -0.26 0.00 0.00 64.21 63.57 1yxx n SER 260 CO 0.00 0.00 0.00 0.28 -0.16 0.00 0.00 175.04 175.16 1yxx h SER 261 N 0.08 0.00 -0.17 4.04 0.02 -2.01 -0.60 113.55 114.92 1yxx h SER 261 Ca -0.48 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 60.42 1yxx h SER 261 Cb 1.35 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.88 1yxx h SER 261 CO 0.49 0.23 -0.07 -0.33 -1.14 0.00 0.00 176.83 176.01 1yxx h GLU 262 N 0.00 0.34 -0.25 3.45 5.08 -1.99 -0.68 114.58 120.53 1yxx h GLU 262 Ca -0.00 -0.14 -0.02 0.00 -1.00 0.00 0.00 59.36 58.19 1yxx h GLU 262 Cb 0.41 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1yxx h GLU 262 CO 0.03 0.64 0.06 0.00 -1.00 0.00 0.00 179.01 178.74 1yxx h GLN 264 N 0.22 0.98 0.23 0.00 4.20 -1.10 -1.54 115.11 118.10 1yxx h GLN 264 Ca 0.08 -0.06 -0.01 0.00 0.06 0.00 0.00 58.65 58.72 1yxx h GLN 264 Cb 0.28 -0.22 0.00 0.00 0.30 0.00 0.00 27.48 27.85 1yxx h GLN 264 CO 0.00 0.65 -0.11 1.25 -0.67 0.00 0.00 178.83 179.95 1yxx h HIS 265 N 1.01 -0.29 -0.98 2.96 2.76 -0.73 -0.38 115.15 119.50 1yxx h HIS 265 Ca 0.45 -0.01 0.01 0.00 -2.20 0.00 0.00 60.37 58.62 1yxx h HIS 265 Cb 0.36 0.10 -0.05 0.00 1.55 0.00 0.00 27.41 29.37 1yxx h HIS 265 CO -0.01 -0.13 0.64 1.25 -1.30 0.00 0.00 177.93 178.37 1yxx h LEU 266 N -0.37 1.14 -0.13 0.26 5.85 -1.09 0.12 115.31 121.08 1yxx h LEU 266 Ca -0.03 -0.04 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 1yxx h LEU 266 Cb 0.29 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 1yxx h LEU 266 CO 0.05 0.83 0.05 0.40 -0.34 0.00 0.00 178.44 179.43 1yxx h ILE 267 N 1.33 1.16 -0.59 4.05 2.04 -1.14 0.19 117.51 124.56 1yxx h ILE 267 Ca 0.36 -0.49 -0.01 0.00 1.00 0.00 0.00 64.86 65.72 1yxx h ILE 267 Cb -0.14 1.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1yxx h ILE 267 CO -0.08 0.15 0.33 0.03 0.00 0.00 0.00 178.15 178.59 1yxx h ARG 268 N 0.04 0.80 -0.21 2.37 3.08 -0.74 -0.52 114.38 119.20 1yxx h ARG 268 Ca 0.04 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 59.96 1yxx h ARG 268 Cb 0.19 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 30.07 1yxx h ARG 268 CO -0.00 0.58 -0.09 2.35 -1.07 0.00 0.00 179.97 181.74 1yxx h TRP 269 N 0.81 0.50 -0.09 3.04 7.01 -0.48 -2.80 115.95 123.95 1yxx h TRP 269 Ca 0.21 -0.12 -0.04 0.00 2.11 0.00 0.00 58.89 61.05 1yxx h TRP 269 Cb 0.00 -0.12 -0.01 0.00 -2.10 0.00 0.00 29.16 26.94 1yxx h TRP 269 CO 0.00 0.72 -0.13 0.00 -2.79 0.00 0.00 178.44 176.24 1yxx n LEU 271 N -4.32 5.90 -4.77 0.00 4.77 -0.24 -3.93 117.00 114.40 1yxx n LEU 271 Ca -0.01 -3.12 -0.40 0.00 -0.03 0.00 0.00 56.01 52.44 1yxx n LEU 271 Cb 0.24 -0.76 -0.01 0.00 -2.33 0.00 0.00 43.42 40.56 1yxx n LEU 271 CO 0.37 0.89 1.01 0.00 -1.33 0.00 0.00 177.39 178.33 1yxx s ALA 272 N -2.66 3.44 0.10 -1.18 0.00 -0.90 -4.92 121.76 115.64 1yxx s ALA 272 Ca 0.46 1.33 -0.19 0.00 0.00 0.00 0.00 51.96 53.56 1yxx s ALA 272 Cb 0.38 -3.51 -0.06 0.00 0.00 0.00 0.00 23.12 19.93 1yxx s ALA 272 CO 0.10 -0.80 1.65 -0.07 0.00 0.00 0.00 175.76 176.64 1yxx h LEU 273 N 3.07 0.34 -9.05 0.00 3.38 -1.92 -3.41 115.31 107.72 1yxx h LEU 273 Ca -0.50 -0.16 -0.57 0.00 0.09 0.00 0.00 57.88 56.74 1yxx h LEU 273 Cb 1.24 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 1yxx h LEU 273 CO 0.64 0.41 0.86 -0.13 0.09 0.00 0.00 178.44 180.31 1yxx s ARG 274 N -5.58 4.16 0.36 1.13 0.52 -1.26 -4.76 118.95 113.52 1yxx s ARG 274 Ca -0.13 1.35 0.12 0.00 -0.52 0.00 0.00 55.73 56.54 1yxx s ARG 274 Cb 0.08 -3.72 0.91 0.00 0.52 0.00 0.00 34.95 32.74 1yxx s ARG 274 CO 0.72 -0.78 1.82 -1.35 0.02 0.00 0.00 175.30 175.73 1yxx h PRO 275 N 8.02 0.57 0.00 3.54 0.11 -1.96 0.28 132.00 142.56 1yxx h PRO 275 Ca -0.22 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.86 1yxx h PRO 275 Cb 1.08 -0.13 0.00 0.00 0.11 0.00 0.00 31.00 32.06 1yxx h PRO 275 CO 1.00 0.38 0.00 0.66 -0.21 0.00 0.00 178.00 179.83 1yxx h SER 276 N 0.59 0.00 0.63 -2.05 4.64 -1.95 -2.55 113.55 112.86 1yxx h SER 276 Ca 0.53 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.85 1yxx h SER 276 Cb 1.05 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 1yxx h SER 276 CO -0.27 0.00 -0.09 0.47 -0.87 0.00 0.00 176.83 176.06 1yxx n ASP 277 N -2.66 0.20 -4.83 4.97 8.00 0.09 -4.88 116.55 117.44 1yxx n ASP 277 Ca 0.01 -0.09 -0.33 0.00 0.71 0.00 0.00 54.79 55.09 1yxx n ASP 277 Cb 0.25 -0.22 -0.06 0.00 -0.02 0.00 0.00 41.12 41.06 1yxx n ASP 277 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 1yxx s ARG 278 N -2.73 4.15 0.59 -1.24 0.52 -0.96 -4.86 118.95 114.42 1yxx s ARG 278 Ca 0.22 1.06 -0.17 0.00 -0.52 0.00 0.00 55.73 56.33 1yxx s ARG 278 Cb 0.19 -2.17 -0.04 0.00 0.52 0.00 0.00 34.95 33.45 1yxx s ARG 278 CO 0.52 -0.09 1.08 -1.25 0.02 0.00 0.00 175.30 175.58 1yxx s PRO 279 N -3.41 3.27 0.95 3.54 0.04 -1.26 -5.06 135.00 133.06 1yxx s PRO 279 Ca 0.61 1.34 -0.15 0.00 0.04 0.00 0.00 61.00 62.84 1yxx s PRO 279 Cb -0.09 -2.02 0.17 0.00 0.04 0.00 0.00 34.50 32.60 1yxx s PRO 279 CO 0.18 -0.87 1.24 0.95 0.04 0.00 0.00 177.00 178.54 1yxx s THR 280 N -2.24 1.95 0.21 1.26 -4.23 -1.26 -4.86 115.64 106.47 1yxx s THR 280 Ca 0.66 0.00 -0.08 0.00 -1.18 0.00 0.00 61.69 61.10 1yxx s THR 280 Cb -0.18 -2.90 0.15 0.00 1.34 0.00 0.00 72.50 70.90 1yxx s THR 280 CO 0.34 0.00 1.76 -0.26 -0.54 0.00 0.00 174.62 175.92 1yxx h PHE 281 N -1.59 1.21 -0.83 3.99 0.04 -1.97 -1.68 116.94 116.10 1yxx h PHE 281 Ca -0.46 -0.10 0.03 0.00 2.80 0.00 0.00 57.97 60.24 1yxx h PHE 281 Cb 1.28 -0.36 -0.05 0.00 2.20 0.00 0.00 35.95 39.02 1yxx h PHE 281 CO -0.72 0.93 0.54 1.49 -0.60 0.00 0.00 178.31 179.95 1yxx h GLU 282 N 1.14 1.01 -0.29 1.51 4.81 -1.99 -1.25 114.58 119.53 1yxx h GLU 282 Ca 0.26 -0.06 -0.13 0.00 -0.13 0.00 0.00 59.36 59.30 1yxx h GLU 282 Cb 0.25 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1yxx h GLU 282 CO -0.02 0.67 -0.35 0.93 -0.73 0.00 0.00 179.01 179.51 1yxx h GLU 283 N 1.04 0.65 -0.10 1.92 5.08 -1.83 -1.25 114.58 120.09 1yxx h GLU 283 Ca 0.33 -0.31 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 1yxx h GLU 283 Cb 0.00 -0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.25 1yxx h GLU 283 CO -0.11 0.91 0.01 0.82 -1.00 0.00 0.00 179.01 179.64 1yxx h ILE 284 N 0.55 1.23 0.00 3.13 2.04 -0.70 -2.22 117.51 121.53 1yxx h ILE 284 Ca 0.06 -0.72 -0.01 0.00 1.00 0.00 0.00 64.86 65.18 1yxx h ILE 284 Cb 0.87 1.52 -0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1yxx h ILE 284 CO 0.07 0.21 -0.06 1.56 0.00 0.00 0.00 178.15 179.93 1yxx h GLN 285 N -0.08 0.00 -0.00 2.37 4.20 -1.17 -2.13 115.11 118.31 1yxx h GLN 285 Ca 0.03 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.74 1yxx h GLN 285 Cb 0.31 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.09 1yxx h GLN 285 CO 0.00 0.06 -0.39 0.09 -0.67 0.00 0.00 178.83 177.93 1yxx n ASN 286 N -3.18 0.42 -4.72 1.46 3.02 -0.48 -4.74 115.26 107.04 1yxx n ASN 286 Ca 0.01 -0.13 -0.40 0.00 -0.03 0.00 0.00 54.58 54.03 1yxx n ASN 286 Cb 0.35 0.09 0.03 0.00 -0.61 0.00 0.00 39.78 39.64 1yxx n ASN 286 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 1yxx n HIS 287 N -1.46 2.19 -0.35 3.10 -0.00 -0.80 -4.89 115.22 113.01 1yxx n HIS 287 Ca 0.06 0.46 0.09 0.00 0.46 0.00 0.00 57.72 58.78 1yxx n HIS 287 Cb 0.34 -2.37 0.27 0.00 -0.12 0.00 0.00 29.99 28.11 1yxx n HIS 287 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1yxx h PRO 288 N 1.74 0.90 0.00 1.57 0.11 -1.91 -2.08 132.00 132.33 1yxx h PRO 288 Ca -0.50 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 65.55 1yxx h PRO 288 Cb 1.30 -0.20 -0.00 0.00 0.11 0.00 0.00 31.00 32.21 1yxx h PRO 288 CO 0.58 0.59 -0.05 2.35 -0.21 0.00 0.00 178.00 181.26 1yxx h TRP 289 N 0.93 0.00 -0.06 0.65 7.01 -1.90 -2.79 115.95 119.78 1yxx h TRP 289 Ca 0.50 0.00 0.00 0.00 2.11 0.00 0.00 58.89 61.50 1yxx h TRP 289 Cb 0.57 0.00 0.00 0.00 -2.10 0.00 0.00 29.16 27.63 1yxx h TRP 289 CO -0.00 0.05 0.00 -1.33 -2.79 0.00 0.00 178.44 174.37 1yxx n MET 290 N -3.91 1.50 -2.71 2.65 2.81 -0.78 -4.96 117.12 111.72 1yxx n MET 290 Ca -0.03 -0.74 -0.33 0.00 -1.81 0.00 0.00 57.70 54.79 1yxx n MET 290 Cb 0.14 -1.43 -0.06 0.00 -0.71 0.00 0.00 33.22 31.17 1yxx n MET 290 CO 0.00 0.00 0.00 -0.65 1.51 0.00 0.00 175.97 176.83 1yxx s GLN 291 N -1.93 4.07 -1.10 0.03 -1.52 -1.06 -4.16 119.66 113.99 1yxx s GLN 291 Ca 0.36 1.22 -0.01 0.00 -1.95 0.00 0.00 55.36 54.98 1yxx s GLN 291 Cb 0.19 -2.16 -0.01 0.00 -0.22 0.00 0.00 33.01 30.81 1yxx s GLN 291 CO 0.30 -0.18 0.92 -0.25 -0.25 0.00 0.00 175.29 175.83 1yxx n ASP 292 N -0.74 -2.58 -4.77 5.90 8.00 -1.26 -4.97 116.55 116.13 1yxx n ASP 292 Ca 0.08 -0.59 -0.36 0.00 0.71 0.00 0.00 54.79 54.62 1yxx n ASP 292 Cb 0.53 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.81 1yxx n ASP 292 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1yxx s VAL 293 N -3.34 2.96 0.57 2.53 0.11 -1.26 -5.00 120.40 116.97 1yxx s VAL 293 Ca 0.05 0.67 -0.16 0.00 -2.93 0.00 0.00 61.98 59.61 1yxx s VAL 293 Cb -0.01 -3.31 -0.05 0.00 -1.53 0.00 0.00 36.38 31.48 1yxx s VAL 293 CO 0.68 -0.06 1.04 -0.76 -3.33 0.00 0.00 175.10 172.68 1yxx s LEU 294 N -3.41 3.56 0.70 2.54 1.43 -1.26 -5.03 118.68 117.20 1yxx s LEU 294 Ca 0.69 1.79 -0.11 0.00 -1.03 0.00 0.00 54.13 55.46 1yxx s LEU 294 Cb -0.29 -4.53 0.01 0.00 0.03 0.00 0.00 46.19 41.41 1yxx s LEU 294 CO 0.34 -1.03 1.07 -0.76 0.23 0.00 0.00 176.35 176.19 1yxx s LEU 295 N -4.32 2.99 0.10 1.79 1.43 -1.26 -4.87 118.68 114.54 1yxx s LEU 295 Ca 0.63 1.36 -0.21 0.00 -1.03 0.00 0.00 54.13 54.88 1yxx s LEU 295 Cb -0.15 -4.21 -0.11 0.00 0.03 0.00 0.00 46.19 41.75 1yxx s LEU 295 CO 0.34 -1.35 1.74 -0.65 0.23 0.00 0.00 176.35 176.66 1yxx h PRO 296 N -0.66 0.13 -0.81 1.29 0.11 -1.84 -1.20 132.00 129.03 1yxx h PRO 296 Ca -0.45 -0.01 0.02 0.00 0.11 0.00 0.00 66.00 65.68 1yxx h PRO 296 Cb 1.23 -0.03 -0.05 0.00 0.11 0.00 0.00 31.00 32.26 1yxx h PRO 296 CO 0.61 0.10 0.52 0.37 -0.21 0.00 0.00 178.00 179.40 1yxx h GLN 297 N 0.11 1.01 -0.66 1.05 5.75 -1.81 -0.10 115.11 120.46 1yxx h GLN 297 Ca 0.04 -0.06 0.05 0.00 -0.15 0.00 0.00 58.65 58.52 1yxx h GLN 297 Cb 0.01 -0.23 -0.05 0.00 1.07 0.00 0.00 27.48 28.28 1yxx h GLN 297 CO -0.01 0.67 0.38 0.93 -2.65 0.00 0.00 178.83 178.16 1yxx h GLU 298 N 1.04 0.70 -0.78 1.69 5.08 -1.84 -1.06 114.58 119.41 1yxx h GLU 298 Ca 0.31 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.65 1yxx h GLU 298 Cb -0.04 -0.16 -0.04 0.00 0.50 0.00 0.00 28.75 29.01 1yxx h GLU 298 CO -0.10 0.46 0.50 1.15 -1.00 0.00 0.00 179.01 180.03 1yxx h THR 299 N 0.72 1.15 -0.66 1.13 2.02 0.18 -1.75 112.91 115.70 1yxx h THR 299 Ca 0.29 -0.34 -0.04 0.00 0.77 0.00 0.00 66.41 67.08 1yxx h THR 299 Cb 0.13 0.06 -0.03 0.00 -1.74 0.00 0.00 68.15 66.57 1yxx h THR 299 CO -0.16 0.18 0.24 0.00 0.37 0.00 0.00 175.52 176.16 1yxx h ALA 300 N 1.31 0.86 -0.62 6.16 0.00 -0.46 -1.47 119.26 125.04 1yxx h ALA 300 Ca 0.30 -0.19 -0.10 0.00 0.00 0.00 0.00 54.91 54.93 1yxx h ALA 300 Cb -0.04 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.48 1yxx h ALA 300 CO -0.09 0.50 0.01 0.93 0.00 0.00 0.00 179.25 180.60 1yxx h GLU 301 N 0.94 1.08 0.15 0.00 5.08 -0.69 -1.43 114.58 119.71 1yxx h GLU 301 Ca 0.22 -0.34 -0.25 0.00 -1.00 0.00 0.00 59.36 57.99 1yxx h GLU 301 Cb 0.24 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 29.41 1yxx h GLU 301 CO -0.01 1.05 -1.16 0.82 -1.00 0.00 0.00 179.01 178.70 1yxx h ILE 302 N 0.99 1.29 0.00 3.13 2.04 -1.32 -3.37 117.51 120.26 1yxx h ILE 302 Ca 0.18 -2.52 -0.03 0.00 1.00 0.00 0.00 64.86 63.49 1yxx h ILE 302 Cb 0.55 3.00 -0.01 0.00 -0.74 0.00 0.00 36.82 39.62 1yxx h ILE 302 CO 0.03 0.74 -1.39 1.41 0.00 0.00 0.00 178.15 178.94 1yxx n HIS 303 N -3.97 0.00 -0.91 1.37 8.25 -0.56 -4.57 115.22 114.83 1yxx n HIS 303 Ca -0.18 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.36 1yxx n HIS 303 Cb 0.91 -0.22 0.26 0.00 1.12 0.00 0.00 29.99 32.06 1yxx n HIS 303 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1yxx n LEU 304 N -1.88 3.94 -3.82 2.41 4.32 -0.61 -5.00 117.00 116.36 1yxx n LEU 304 Ca -0.04 -2.92 -0.31 0.00 -0.02 0.00 0.00 56.01 52.73 1yxx n LEU 304 Cb 0.32 -0.53 0.01 0.00 -1.62 0.00 0.00 43.42 41.60 1yxx n LEU 304 CO 0.16 0.68 -0.18 0.00 -1.22 0.00 0.00 177.39 176.83 1yxx n HIS 305 N -0.33 -1.39 -0.28 -1.77 1.44 -0.82 -4.91 115.22 107.17 1yxx n HIS 305 Ca 0.21 0.35 0.00 0.00 -2.01 0.00 0.00 57.72 56.27 1yxx n HIS 305 Cb 0.87 -2.27 0.00 0.00 0.12 0.00 0.00 29.99 28.71 1yxx n HIS 305 CO 0.00 0.00 0.00 0.45 -2.81 0.00 0.00 176.34 173.98